*HEADER    DNA BINDING PROTEIN                     05-AUG-04   1U86              
*TITLE     321-TW-322 INSERTION MUTANT OF THE THIRD ZINC FINGER OF BKLF          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KRUPPEL-LIKE FACTOR 3;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: THIRD ZINC FINGER;                                         
*COMPND   5 SYNONYM: BASIC KRUPPEL-LIKE FACTOR, KLF3, CACCC-BOX                  
*COMPND   6 BINDING PROTEIN BKLF, TEF-2;                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 GENE: BKLF;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    ZINC FINGER, KRUPPEL-LIKE                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    E.D.CRAM, J.P.MACKAY, J.M.MATTHEWS                                    
*REVDAT   1   23-AUG-05 1U86    0                                                

 ASSI {    2}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.18551E-02 ppm1      4.702 ppm2      9.888 CV     1
 ASSI {    3}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.25184E-02 ppm1      4.157 ppm2      9.891 CV     1
 ASSI {    4}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.24212E-02 ppm1      4.081 ppm2      9.887 CV     1
 ASSI {    5}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.26795E-02 ppm1      4.706 ppm2      4.164 CV     1
 ASSI {    6}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.600     0.800     0.800 peak     6 spectrum    1 weight  0.10000E+01 volume  0.40962E-02 ppm1      4.706 ppm2      4.083 CV     1
 ASSI {    7}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.41572E-02 ppm1      4.437 ppm2      9.398 CV     1
 ASSI {    8}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.000     0.500     0.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.17956E-01 ppm1      2.701 ppm2      9.398 CV     1
 OR {    8}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {    9}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.76235E-02 ppm1      4.437 ppm2      2.704 CV     1
 OR {    9}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {   10}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.49120E-02 ppm1      4.314 ppm2      8.881 CV     1
 ASSI {   11}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.100     2.100     3.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.13943E-01 ppm1      4.313 ppm2      2.739 CV     1
 ASSI {   12}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.200     0.600     0.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.12106E-01 ppm1      4.316 ppm2      2.608 CV     1
 ASSI {   13}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.35316E-02 ppm1      2.610 ppm2      8.880 CV     1
 ASSI {   14}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.50514E-02 ppm1      2.739 ppm2      8.880 CV     1
 ASSI {   18}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.58120E-02 ppm1      4.591 ppm2      3.428 CV     1
 ASSI {   19}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.600     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.36288E-02 ppm1      4.595 ppm2      2.853 CV     1
 ASSI {   20}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB3 ))
      2.000     0.500     0.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.17564E-01 ppm1      3.432 ppm2      2.855 CV     1
 ASSI {   21}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.62765E-02 ppm1      2.855 ppm2      8.833 CV     1
 ASSI {   22}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     0.700     0.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.73608E-02 ppm1      3.432 ppm2      8.834 CV     1
 ASSI {   23}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.23921E-02 ppm1      4.587 ppm2      8.834 CV     1
 ASSI {   27}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.900     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.38393E-02 ppm1      3.649 ppm2      8.708 CV     1
 ASSI {   28}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.65101E-02 ppm1      4.898 ppm2      8.542 CV     1
 ASSI {   29}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.200     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.11175E-01 ppm1      4.897 ppm2      2.926 CV     1
 ASSI {   30}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.200     0.600     0.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.10940E-01 ppm1      4.896 ppm2      2.682 CV     1
 ASSI {   31}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      1.800     0.400     0.400 peak    31 spectrum    1 weight  0.10000E+01 volume  0.42066E-01 ppm1      2.927 ppm2      2.682 CV     1
 ASSI {   32}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.66480E-02 ppm1      2.928 ppm2      8.542 CV     1
 ASSI {   33}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     2.600     3.400 peak    33 spectrum    1 weight  0.10000E+01 volume  0.43546E-02 ppm1      2.688 ppm2      8.542 CV     1
 ASSI {   34}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.300     0.600     0.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.87542E-02 ppm1      4.745 ppm2      3.032 CV     1
 OR {   34}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {   36}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.300     0.600     0.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.92608E-02 ppm1      4.601 ppm2      8.198 CV     1
 ASSI {   37}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.81359E-02 ppm1      3.374 ppm2      8.199 CV     1
 ASSI {   39}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB3 ))
      2.000     0.500     0.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.21613E-01 ppm1      3.374 ppm2      2.888 CV     1
 ASSI {   40}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.500     0.800     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.48031E-02 ppm1      4.600 ppm2      2.888 CV     1
 ASSI {   41}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.41920E-02 ppm1      4.602 ppm2      3.374 CV     1
 ASSI {   42}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.100     1.100 peak    42 spectrum    1 weight  0.10000E+01 volume  0.20438E-02 ppm1      5.108 ppm2      7.797 CV     1
 ASSI {   43}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.400     1.400 peak    43 spectrum    1 weight  0.10000E+01 volume  0.82839E-03 ppm1      3.763 ppm2      7.792 CV     1
 ASSI {   44}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.300     1.300 peak    44 spectrum    1 weight  0.10000E+01 volume  0.97790E-03 ppm1      3.597 ppm2      7.793 CV     1
 ASSI {   45}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.400     0.700     0.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.62895E-02 ppm1      5.105 ppm2      3.771 CV     1
 ASSI {   46}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.300     0.700     0.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.74914E-02 ppm1      5.108 ppm2      3.603 CV     1
 ASSI {   47}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.67424E-02 ppm1      4.006 ppm2      7.541 CV     1
 ASSI {   49}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     2.400     3.600 peak    49 spectrum    1 weight  0.10000E+01 volume  0.61777E-02 ppm1      1.550 ppm2      7.541 CV     1
 ASSI {   50}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.600     0.800     0.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.43430E-02 ppm1      4.005 ppm2      1.668 CV     1
 ASSI {   51}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.600     0.800     0.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.41688E-02 ppm1      4.009 ppm2      1.549 CV     1
 ASSI {   52}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.300     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.84146E-02 ppm1      3.933 ppm2      1.546 CV     1
 OR {   52}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   53}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.59789E-02 ppm1      3.935 ppm2      7.511 CV     1
 ASSI {   55}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.39569E-02 ppm1      1.547 ppm2      7.511 CV     1
 ASSI {   57}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.48656E-02 ppm1      4.358 ppm2      7.351 CV     1
 ASSI {   58}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak    58 spectrum    1 weight  0.10000E+01 volume  0.48394E-02 ppm1      3.325 ppm2      7.351 CV     1
 ASSI {   59}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.38234E-02 ppm1      3.172 ppm2      7.351 CV     1
 ASSI {   60}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.800     1.000     1.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      4.360 ppm2      3.328 CV     1
 ASSI {   61}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.600     0.800     0.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.41209E-02 ppm1      4.359 ppm2      3.170 CV     1
 ASSI {   62}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.37508E-02 ppm1      3.978 ppm2      7.315 CV     1
 ASSI {   63}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.000     0.500     0.500 peak    63 spectrum    1 weight  0.10000E+01 volume  0.17012E-01 ppm1      1.851 ppm2      7.314 CV     1
 ASSI {   64}
   (( segid "    " and resid 30   and name HD3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.300     0.700     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.72533E-02 ppm1      1.666 ppm2      7.315 CV     1
 OR {   64}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {   65}
   (( segid "    " and resid 30   and name HG3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.25344E-02 ppm1      1.447 ppm2      7.314 CV     1
 OR {   65}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {   66}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.000     0.500     0.500 peak    66 spectrum    1 weight  0.10000E+01 volume  0.21120E-01 ppm1      3.980 ppm2      1.851 CV     1
 OR {   66}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {   68}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG3 ))
      2.200     0.600     0.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.11567E-01 ppm1      1.846 ppm2      1.444 CV     1
 OR {   68}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {   68}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {   69}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HD2 ))
      1.800     0.400     0.400 peak    69 spectrum    1 weight  0.10000E+01 volume  0.34097E-01 ppm1      1.848 ppm2      1.663 CV     1
 OR {   69}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HD3 ))
 OR {   69}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HD3 ))
 ASSI {   70}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HG3 ))
      6.000     4.500     0.300 peak    70 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.665 ppm2      1.452 CV     1
 OR {   70}
   (( segid "    " and resid 30   and name HD3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {   70}
   (( segid "    " and resid 30   and name HD3 ))
   (( segid "    " and resid 30   and name HG3 ))
 ASSI {   73}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.25620E-02 ppm1      2.809 ppm2      8.746 CV     1
 ASSI {   74}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     2.800     3.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.27899E-02 ppm1      3.716 ppm2      8.746 CV     1
 ASSI {   76}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.000     0.500     0.500 peak    76 spectrum    1 weight  0.10000E+01 volume  0.21396E-01 ppm1      2.003 ppm2      8.708 CV     1
 ASSI {   77}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      2.200     0.600     0.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.95932E-02 ppm1      3.651 ppm2      2.001 CV     1
 OR {   77}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {   78}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.25779E-02 ppm1      4.497 ppm2      8.639 CV     1
 ASSI {   79}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.46667E-02 ppm1      1.996 ppm2      8.639 CV     1
 ASSI {   80}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.200     1.200 peak    80 spectrum    1 weight  0.10000E+01 volume  0.12261E-02 ppm1      2.384 ppm2      8.639 CV     1
 ASSI {   81}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     3.100     2.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.14675E-02 ppm1      2.273 ppm2      8.639 CV     1
 ASSI {   82}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.600     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.36143E-02 ppm1      4.498 ppm2      1.992 CV     1
 ASSI {   83}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG3 ))
      3.000     1.200     1.200 peak    83 spectrum    1 weight  0.10000E+01 volume  0.15444E-02 ppm1      4.490 ppm2      2.270 CV     1
 ASSI {   84}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      3.300     1.400     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.86207E-03 ppm1      4.492 ppm2      2.382 CV     1
 ASSI {   85}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HG3 ))
      1.900     0.500     0.500 peak    85 spectrum    1 weight  0.10000E+01 volume  0.24516E-01 ppm1      2.381 ppm2      2.270 CV     1
 ASSI {   86}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.800     1.000     1.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.24386E-02 ppm1      2.386 ppm2      1.995 CV     1
 ASSI {   97}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.41616E-02 ppm1      3.938 ppm2      8.515 CV     1
 OR {   97}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {   98}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      6.000     4.500     0.300 peak    98 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.411 ppm2      4.287 CV     1
 ASSI {  100}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      3.300     1.400     1.400 peak   100 spectrum    1 weight  0.10000E+01 volume  0.91795E-03 ppm1      4.413 ppm2      1.220 CV     1
 ASSI {  101}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.200     0.600     0.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.10164E-01 ppm1      4.408 ppm2      8.517 CV     1
 ASSI {  102}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
      2.500     0.800     0.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.44548E-02 ppm1      4.285 ppm2      8.515 CV     1
 ASSI {  103}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      3.300     1.400     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.94960E-03 ppm1      1.227 ppm2      8.515 CV     1
 ASSI {  110}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.900     1.000     1.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.21134E-02 ppm1      4.486 ppm2      1.520 CV     1
 ASSI {  111}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD3 ))
      3.400     1.400     1.400 peak   111 spectrum    1 weight  0.10000E+01 volume  0.84770E-03 ppm1      4.487 ppm2      1.617 CV     1
 OR {  111}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
 ASSI {  112}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.900     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.37943E-02 ppm1      4.483 ppm2      8.470 CV     1
 ASSI {  113}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   113 spectrum    1 weight  0.10000E+01 volume  0.13010E-02 ppm1      1.620 ppm2      8.468 CV     1
 OR {  113}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  114}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak   114 spectrum    1 weight  0.10000E+01 volume  0.33226E-02 ppm1      1.513 ppm2      8.470 CV     1
 ASSI {  115}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.35403E-03 ppm1      1.343 ppm2      8.469 CV     1
 ASSI {  116}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      2.800     1.000     1.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.23065E-02 ppm1      4.488 ppm2      1.342 CV     1
 ASSI {  117}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.40687E-02 ppm1      4.172 ppm2      8.462 CV     1
 ASSI {  118}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   118 spectrum    1 weight  0.10000E+01 volume  0.77222E-02 ppm1      2.888 ppm2      8.198 CV     1
 ASSI {  119}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.300     0.700     0.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.72838E-02 ppm1      3.040 ppm2      8.197 CV     1
 ASSI {  120}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.33487E-02 ppm1      4.746 ppm2      8.198 CV     1
 ASSI {  121}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.200     1.200 peak   121 spectrum    1 weight  0.10000E+01 volume  0.15183E-02 ppm1      4.667 ppm2      8.199 CV     1
 ASSI {  131}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      2.400     0.700     0.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.57945E-02 ppm1      4.033 ppm2      1.772 CV     1
 ASSI {  132}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG13))
      3.200     1.200     1.200 peak   132 spectrum    1 weight  0.10000E+01 volume  0.12180E-02 ppm1      4.034 ppm2      1.134 CV     1
 ASSI {  133}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      2.200     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.10675E-01 ppm1      4.033 ppm2      0.859 CV     1
 ASSI {  134}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG13))
      6.000     4.500     0.300 peak   134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.774 ppm2      1.134 CV     1
 ASSI {  135}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.772 ppm2      0.859 CV     1
 ASSI {  136}
   (( segid "    " and resid 5    and name HG13))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.300 peak   136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.139 ppm2      0.857 CV     1
 ASSI {  137}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.24299E-02 ppm1      4.034 ppm2      8.101 CV     1
 ASSI {  138}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      2.300     0.600     0.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.92710E-02 ppm1      1.772 ppm2      8.101 CV     1
 ASSI {  139}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.000     1.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.22600E-02 ppm1      1.134 ppm2      8.102 CV     1
 ASSI {  140}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak   140 spectrum    1 weight  0.10000E+01 volume  0.12663E-02 ppm1      0.860 ppm2      8.102 CV     1
 ASSI {  141}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HD3 ))
      1.800     0.400     0.400 peak   141 spectrum    1 weight  0.10000E+01 volume  0.35374E-01 ppm1      3.146 ppm2      2.637 CV     1
 ASSI {  142}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HG2 ))
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.45709E-02 ppm1      2.638 ppm2      1.580 CV     1
 ASSI {  143}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HG2 ))
      2.200     0.600     0.600 peak   143 spectrum    1 weight  0.10000E+01 volume  0.10230E-01 ppm1      3.155 ppm2      1.576 CV     1
 ASSI {  144}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HG3 ))
      2.700     0.900     0.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.29916E-02 ppm1      2.636 ppm2      1.408 CV     1
 ASSI {  145}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HG3 ))
      2.200     0.600     0.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.10589E-01 ppm1      3.140 ppm2      1.406 CV     1
 ASSI {  146}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HE  ))
      3.300     1.400     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.94394E-03 ppm1      1.091 ppm2      8.086 CV     1
 ASSI {  147}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HE  ))
      2.500     0.800     0.800 peak   147 spectrum    1 weight  0.10000E+01 volume  0.47930E-02 ppm1      2.635 ppm2      8.088 CV     1
 ASSI {  148}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HE  ))
      2.600     0.900     0.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.38059E-02 ppm1      3.144 ppm2      8.087 CV     1
 ASSI {  149}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HE  ))
      3.000     1.100     1.100 peak   149 spectrum    1 weight  0.10000E+01 volume  0.18072E-02 ppm1      1.580 ppm2      8.086 CV     1
 ASSI {  150}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HE  ))
      3.600     1.600     1.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.55710E-03 ppm1      1.403 ppm2      8.087 CV     1
 ASSI {  157}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.62474E-02 ppm1      4.014 ppm2      7.965 CV     1
 ASSI {  158}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HB% )
      2.500     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.51413E-02 ppm1      4.015 ppm2      1.444 CV     1
 ASSI {  160}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      2.300     0.600     0.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.93247E-02 ppm1      1.443 ppm2      7.965 CV     1
 ASSI {  161}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.100     2.100     3.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.14049E-01 ppm1      4.412 ppm2      7.856 CV     1
 ASSI {  162}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      2.300     0.700     0.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.81780E-02 ppm1      4.413 ppm2      1.701 CV     1
 OR {  162}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {  163}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG  ))
      2.600     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.41224E-02 ppm1      4.415 ppm2      1.627 CV     1
 ASSI {  164}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HD1%)
      3.100     1.200     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.14951E-02 ppm1      4.412 ppm2      0.917 CV     1
 OR {  164}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {  165}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 34   and name HD1%)
      6.000     4.500     0.300 peak   165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.703 ppm2      0.917 CV     1
 OR {  165}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {  166}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD1%)
      6.000     4.500     0.300 peak   166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.624 ppm2      0.917 CV     1
 OR {  166}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {  167}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.100     1.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.18826E-02 ppm1      0.915 ppm2      7.856 CV     1
 OR {  167}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  168}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.17128E-02 ppm1      1.627 ppm2      7.855 CV     1
 ASSI {  169}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.61415E-02 ppm1      1.699 ppm2      7.856 CV     1
 OR {  169}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  171}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.14515E-02 ppm1      4.056 ppm2      2.105 CV     1
 ASSI {  172}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      3.400     1.400     1.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.80502E-03 ppm1      4.059 ppm2      0.924 CV     1
 ASSI {  173}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.300 peak   173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.105 ppm2      0.924 CV     1
 ASSI {  174}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.20844E-02 ppm1      4.060 ppm2      7.681 CV     1
 ASSI {  175}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.100     1.100 peak   175 spectrum    1 weight  0.10000E+01 volume  0.20031E-02 ppm1      2.102 ppm2      7.682 CV     1
 ASSI {  182}
   (( segid "    " and resid 30   and name HE2 ))
   (  segid "    " and resid 30   and name HZ% )
      3.500     3.500     2.500 peak   182 spectrum    1 weight  0.10000E+01 volume  0.64768E-03 ppm1      2.943 ppm2      7.630 CV     1
 OR {  182}
   (( segid "    " and resid 30   and name HE3 ))
   (  segid "    " and resid 30   and name HZ% )
 ASSI {  183}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HD3 ))
      3.000     1.100     1.100 peak   183 spectrum    1 weight  0.10000E+01 volume  0.18406E-02 ppm1      3.982 ppm2      1.662 CV     1
 OR {  183}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
 ASSI {  184}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      2.900     1.000     1.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.20626E-02 ppm1      3.982 ppm2      1.446 CV     1
 ASSI {  186}
   (( segid "    " and resid 30   and name HE2 ))
   (( segid "    " and resid 30   and name HD2 ))
      2.200     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.10882E-01 ppm1      2.948 ppm2      1.673 CV     1
 OR {  186}
   (( segid "    " and resid 30   and name HE3 ))
   (( segid "    " and resid 30   and name HD3 ))
 OR {  186}
   (( segid "    " and resid 30   and name HE2 ))
   (( segid "    " and resid 30   and name HD3 ))
 ASSI {  187}
   (( segid "    " and resid 30   and name HE3 ))
   (( segid "    " and resid 30   and name HG2 ))
      2.400     0.700     0.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.65537E-02 ppm1      2.950 ppm2      1.454 CV     1
 OR {  187}
   (( segid "    " and resid 30   and name HE2 ))
   (( segid "    " and resid 30   and name HG3 ))
 OR {  187}
   (( segid "    " and resid 30   and name HE3 ))
   (( segid "    " and resid 30   and name HG3 ))
 ASSI {  188}
   (( segid "    " and resid 30   and name HE3 ))
   (( segid "    " and resid 30   and name HB3 ))
      3.500     1.600     1.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.60965E-03 ppm1      2.955 ppm2      1.860 CV     1
 OR {  188}
   (( segid "    " and resid 30   and name HE2 ))
   (( segid "    " and resid 30   and name HB3 ))
 OR {  188}
   (( segid "    " and resid 30   and name HE3 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  189}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HE3 ))
      3.800     1.800     1.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.41209E-03 ppm1      3.976 ppm2      2.949 CV     1
 OR {  189}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HE2 ))
 ASSI {  194}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.24662E-02 ppm1      4.617 ppm2      7.483 CV     1
 ASSI {  195}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.500     0.800     0.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.49570E-02 ppm1      4.613 ppm2      1.093 CV     1
 ASSI {  197}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB3 ))
      2.300     0.700     0.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.82041E-02 ppm1      2.018 ppm2      1.093 CV     1
 ASSI {  199}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HG3 ))
      6.000     4.500     0.300 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.574 ppm2      1.402 CV     1
 ASSI {  200}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG3 ))
      6.000     4.500     0.300 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      1.402 CV     1
 ASSI {  201}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
      6.000     4.500     0.300 peak   201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.015 ppm2      1.573 CV     1
 ASSI {  202}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
      2.400     0.700     0.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.70632E-02 ppm1      3.145 ppm2      1.094 CV     1
 ASSI {  203}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HB3 ))
      3.100     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.13607E-02 ppm1      2.638 ppm2      1.092 CV     1
 ASSI {  204}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.500     2.500     3.500 peak   204 spectrum    1 weight  0.10000E+01 volume  0.55289E-02 ppm1      3.146 ppm2      2.024 CV     1
 ASSI {  205}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     4.500     0.300 peak   205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.643 ppm2      2.026 CV     1
 ASSI {  206}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HB3 ))
      6.000     4.500     0.300 peak   206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.407 ppm2      1.093 CV     1
 ASSI {  207}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB3 ))
      2.600     0.900     0.900 peak   207 spectrum    1 weight  0.10000E+01 volume  0.38625E-02 ppm1      1.574 ppm2      1.090 CV     1
 ASSI {  208}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
      3.000     1.100     1.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.18202E-02 ppm1      4.615 ppm2      1.402 CV     1
 ASSI {  209}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.800     1.000     1.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.23210E-02 ppm1      4.610 ppm2      1.573 CV     1
 ASSI {  210}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.500     0.800     0.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.51022E-02 ppm1      4.615 ppm2      2.016 CV     1
 ASSI {  211}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HD3 ))
      6.000     4.500     0.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.613 ppm2      2.636 CV     1
 ASSI {  212}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HD2 ))
      2.700     2.700     3.300 peak   212 spectrum    1 weight  0.10000E+01 volume  0.34169E-02 ppm1      4.617 ppm2      3.145 CV     1
 ASSI {  213}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.400     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.80706E-03 ppm1      2.023 ppm2      7.483 CV     1
 ASSI {  214}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   214 spectrum    1 weight  0.10000E+01 volume  0.14272E-02 ppm1      1.404 ppm2      7.483 CV     1
 ASSI {  215}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.11786E-02 ppm1      1.574 ppm2      7.483 CV     1
 ASSI {  216}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HE  ))
      2.500     2.500     3.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.51283E-02 ppm1      2.029 ppm2      8.087 CV     1
 ASSI {  217}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
      3.400     1.400     1.400 peak   217 spectrum    1 weight  0.10000E+01 volume  0.81562E-03 ppm1      4.407 ppm2      1.991 CV     1
 OR {  217}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  218}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
      2.800     0.900     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.27884E-02 ppm1      4.407 ppm2      2.224 CV     1
 ASSI {  219}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
      2.700     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.29800E-02 ppm1      4.407 ppm2      2.592 CV     1
 ASSI {  220}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HG3 ))
      2.200     0.600     0.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.12117E-01 ppm1      2.592 ppm2      2.222 CV     1
 ASSI {  221}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.400     0.700     0.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.63635E-02 ppm1      2.596 ppm2      1.992 CV     1
 OR {  221}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {  222}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HB2 ))
      6.000     4.500     0.300 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.228 ppm2      2.000 CV     1
 OR {  222}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HB3 ))
 ASSI {  223}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.10506E-01 ppm1      1.993 ppm2      7.298 CV     1
 OR {  223}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  224}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.900     0.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.37377E-02 ppm1      2.225 ppm2      7.298 CV     1
 ASSI {  225}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.66858E-02 ppm1      2.590 ppm2      7.299 CV     1
 ASSI {  226}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.66205E-02 ppm1      4.402 ppm2      7.297 CV     1
 ASSI {  241}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.300     0.700     0.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.84204E-02 ppm1      3.384 ppm2      1.971 CV     1
 ASSI {  242}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.48017E-02 ppm1      3.386 ppm2      7.111 CV     1
 ASSI {  243}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     2.300     3.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.79602E-02 ppm1      1.970 ppm2      7.111 CV     1
 ASSI {  252}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.300     0.600     0.600 peak   252 spectrum    1 weight  0.10000E+01 volume  0.91723E-02 ppm1      3.944 ppm2      6.966 CV     1
 ASSI {  255}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.50775E-02 ppm1      0.589 ppm2      6.965 CV     1
 ASSI {  260}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.900     0.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.36840E-02 ppm1      4.113 ppm2      7.436 CV     1
 ASSI {  261}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.200     0.600     0.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.10138E-01 ppm1      3.089 ppm2      7.436 CV     1
 ASSI {  262}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.900     0.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.36230E-02 ppm1      2.880 ppm2      7.436 CV     1
 ASSI {  263}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB3 ))
      2.000     0.500     0.500 peak   263 spectrum    1 weight  0.10000E+01 volume  0.20859E-01 ppm1      3.089 ppm2      2.879 CV     1
 ASSI {  265}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.53155E-02 ppm1      4.112 ppm2      3.089 CV     1
 ASSI {  274}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      3.300     1.400     1.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.94002E-03 ppm1      4.211 ppm2      3.719 CV     1
 ASSI {  275}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
      3.300     1.300     1.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.99227E-03 ppm1      4.209 ppm2      3.646 CV     1
 ASSI {  276}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.200     0.600     0.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.10821E-01 ppm1      4.212 ppm2      2.013 CV     1
 ASSI {  277}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.000     1.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.17723E-02 ppm1      4.215 ppm2      1.867 CV     1
 ASSI {  278}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      3.000     1.100     1.100 peak   278 spectrum    1 weight  0.10000E+01 volume  0.18159E-02 ppm1      4.204 ppm2      1.798 CV     1
 ASSI {  279}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.500     0.800     0.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.44983E-02 ppm1      3.730 ppm2      1.798 CV     1
 ASSI {  281}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.700     0.900     0.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.31760E-02 ppm1      3.655 ppm2      1.873 CV     1
 ASSI {  282}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.800     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.27115E-02 ppm1      3.729 ppm2      1.873 CV     1
 ASSI {  283}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.400     0.700     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.69035E-02 ppm1      4.208 ppm2      1.280 CV     1
 ASSI {  284}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HB3 ))
      2.700     0.900     0.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.29902E-02 ppm1      3.727 ppm2      1.275 CV     1
 ASSI {  285}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 6    and name HB3 ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.31266E-02 ppm1      3.653 ppm2      1.274 CV     1
 ASSI {  286}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB3 ))
      1.900     0.500     0.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.25808E-01 ppm1      2.016 ppm2      1.279 CV     1
 ASSI {  287}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB3 ))
      6.000     4.500     0.300 peak   287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.868 ppm2      1.283 CV     1
 ASSI {  288}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB3 ))
      6.000     4.500     0.300 peak   288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.802 ppm2      1.281 CV     1
 ASSI {  291}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     4.500     0.300 peak   291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.159 ppm2      4.082 CV     1
 ASSI {  292}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     4.500     0.300 peak   292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.736 ppm2      2.608 CV     1
 ASSI {  293}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     4.500     0.300 peak   293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.271 ppm2      1.995 CV     1
 ASSI {  294}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HB3 ))
      6.000     4.500     0.300 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.763 ppm2      3.598 CV     1
 ASSI {  295}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG1%)
      3.700     1.700     1.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.49976E-03 ppm1      4.060 ppm2      0.909 CV     1
 ASSI {  296}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG1%)
      6.000     4.500     0.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.106 ppm2      0.909 CV     1
 ASSI {  297}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak   297 spectrum    1 weight  0.10000E+01 volume  0.14131E-02 ppm1      0.910 ppm2      7.681 CV     1
 ASSI {  298}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HB3 ))
      6.000     4.500     0.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.327 ppm2      3.170 CV     1
 ASSI {  299}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HE1 ))
      2.100     0.600     0.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.13803E-01 ppm1      6.958 ppm2     10.071 CV     1
 ASSI {  301}
   (( segid "    " and resid 19   and name HZ  ))
   (  segid "    " and resid 19   and name HE% )
      2.100     0.500     0.500 peak   301 spectrum    1 weight  0.10000E+01 volume  0.14820E-01 ppm1      6.344 ppm2      6.932 CV     1
 ASSI {  302}
   (( segid "    " and resid 19   and name HZ  ))
   (  segid "    " and resid 19   and name HD% )
      3.000     1.100     1.100 peak   302 spectrum    1 weight  0.10000E+01 volume  0.17070E-02 ppm1      6.346 ppm2      7.435 CV     1
 ASSI {  303}
   (  segid "    " and resid 19   and name HE% )
   (  segid "    " and resid 19   and name HD% )
      2.000     0.500     0.500 peak   303 spectrum    1 weight  0.10000E+01 volume  0.19465E-01 ppm1      6.931 ppm2      7.433 CV     1
 ASSI {  304}
   (( segid "    " and resid 12   and name HZ3 ))
   (( segid "    " and resid 12   and name HZ2 ))
      2.700     2.700     3.300 peak   304 spectrum    1 weight  0.10000E+01 volume  0.34285E-02 ppm1      7.086 ppm2      7.497 CV     1
 ASSI {  305}
   (( segid "    " and resid 12   and name HH2 ))
   (( segid "    " and resid 12   and name HZ2 ))
      2.100     0.500     0.500 peak   305 spectrum    1 weight  0.10000E+01 volume  0.16083E-01 ppm1      7.161 ppm2      7.497 CV     1
 ASSI {  306}
   (( segid "    " and resid 12   and name HZ3 ))
   (( segid "    " and resid 12   and name HE3 ))
      2.000     0.500     0.500 peak   306 spectrum    1 weight  0.10000E+01 volume  0.19712E-01 ppm1      7.086 ppm2      7.401 CV     1
 ASSI {  307}
   (( segid "    " and resid 12   and name HH2 ))
   (( segid "    " and resid 12   and name HE3 ))
      2.200     2.200     3.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.11522E-01 ppm1      7.160 ppm2      7.401 CV     1
 ASSI {  308}
   (( segid "    " and resid 12   and name HZ2 ))
   (( segid "    " and resid 12   and name HE1 ))
      2.300     0.700     0.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.72345E-02 ppm1      7.495 ppm2     10.071 CV     1
 ASSI {  309}
   (( segid "    " and resid 12   and name HH2 ))
   (( segid "    " and resid 12   and name HE1 ))
      3.400     3.400     2.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.78049E-03 ppm1      7.162 ppm2     10.071 CV     1
 ASSI {  310}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.200     1.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.12592E-02 ppm1      6.956 ppm2      7.497 CV     1
 ASSI {  311}
   (( segid "    " and resid 12   and name HZ3 ))
   (( segid "    " and resid 12   and name HH2 ))
      1.900     1.900     4.100 peak   311 spectrum    1 weight  0.10000E+01 volume  0.27870E-01 ppm1      7.084 ppm2      7.162 CV     1
 ASSI {  331}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.300 peak   331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.430 ppm2      0.854 CV     1
 ASSI {  332}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HG13))
      6.000     4.500     0.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.435 ppm2      1.136 CV     1
 ASSI {  333}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.300 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      1.434 CV     1
 ASSI {  334}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.300     1.300 peak   334 spectrum    1 weight  0.10000E+01 volume  0.11743E-02 ppm1      1.429 ppm2      8.102 CV     1
 ASSI {  335}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.39192E-03 ppm1      2.934 ppm2      8.469 CV     1
 OR {  335}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  336}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.500     1.600     1.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.62373E-03 ppm1      1.273 ppm2      8.470 CV     1
 ASSI {  337}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     4.500     0.300 peak   337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.487 ppm2      4.037 CV     1
 ASSI {  338}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HE3 ))
      3.900     1.900     1.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.33516E-03 ppm1      4.481 ppm2      2.930 CV     1
 OR {  338}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HE2 ))
 ASSI {  339}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      2.700     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.33545E-02 ppm1      4.482 ppm2      1.275 CV     1
 ASSI {  340}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HD2 ))
      2.500     0.800     0.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.44707E-02 ppm1      2.935 ppm2      1.615 CV     1
 OR {  340}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HD3 ))
 OR {  340}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HD3 ))
 ASSI {  341}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.300     1.400     1.400 peak   341 spectrum    1 weight  0.10000E+01 volume  0.86047E-03 ppm1      2.937 ppm2      1.521 CV     1
 OR {  341}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  342}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HG3 ))
      2.700     0.900     0.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.34822E-02 ppm1      2.933 ppm2      1.345 CV     1
 OR {  342}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HG3 ))
 OR {  342}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  343}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HB3 ))
      2.800     0.900     0.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.27710E-02 ppm1      2.937 ppm2      1.275 CV     1
 OR {  343}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  344}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     4.500     0.300 peak   344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.618 ppm2      1.271 CV     1
 OR {  344}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  345}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     4.500     0.300 peak   345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.518 ppm2      1.275 CV     1
 ASSI {  346}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.300 peak   346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.614 ppm2      1.345 CV     1
 OR {  346}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG3 ))
 OR {  346}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  347}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     4.500     0.300 peak   347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.522 ppm2      1.346 CV     1
 OR {  347}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  348}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.300     0.600     0.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.87934E-02 ppm1      3.940 ppm2      8.102 CV     1
 OR {  348}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {  349}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     0.900     0.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.27855E-02 ppm1      8.104 ppm2      8.517 CV     1
 ASSI {  350}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.000     0.500     0.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.17099E-01 ppm1      4.036 ppm2      8.469 CV     1
 ASSI {  352}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.900     2.900     3.100 peak   352 spectrum    1 weight  0.10000E+01 volume  0.22092E-02 ppm1      8.102 ppm2      8.469 CV     1
 ASSI {  353}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.26491E-02 ppm1      0.865 ppm2      8.468 CV     1
 ASSI {  356}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      3.000     1.100     1.100 peak   356 spectrum    1 weight  0.10000E+01 volume  0.17128E-02 ppm1      4.035 ppm2      1.425 CV     1
 ASSI {  357}
   (( segid "    " and resid 5    and name HG13))
   (  segid "    " and resid 5    and name HD1%)
      2.000     0.500     0.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.17012E-01 ppm1      1.145 ppm2      0.830 CV     1
 ASSI {  358}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HD1%)
      2.300     0.700     0.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.83057E-02 ppm1      1.432 ppm2      0.829 CV     1
 ASSI {  359}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.27478E-02 ppm1      1.776 ppm2      0.829 CV     1
 ASSI {  360}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.100     1.200     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.12438E-02 ppm1      4.035 ppm2      0.826 CV     1
 ASSI {  361}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.300     1.400     1.400 peak   361 spectrum    1 weight  0.10000E+01 volume  0.92478E-03 ppm1      0.832 ppm2      8.104 CV     1
 ASSI {  362}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.43619E-03 ppm1      1.143 ppm2      8.470 CV     1
 ASSI {  363}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      3.600     1.600     1.600 peak   363 spectrum    1 weight  0.10000E+01 volume  0.57583E-03 ppm1      0.828 ppm2      8.469 CV     1
 ASSI {  364}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      3.300     1.400     1.400 peak   364 spectrum    1 weight  0.10000E+01 volume  0.88312E-03 ppm1      4.215 ppm2      7.190 CV     1
 ASSI {  365}
   (  segid "    " and resid 8    and name HD% )
   (  segid "    " and resid 8    and name HE% )
      2.100     0.500     0.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.15619E-01 ppm1      7.185 ppm2      7.411 CV     1
 ASSI {  366}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      2.200     0.600     0.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.10595E-01 ppm1      4.750 ppm2      7.185 CV     1
 ASSI {  367}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      3.400     1.500     1.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.73666E-03 ppm1      4.752 ppm2      7.411 CV     1
 ASSI {  368}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      2.100     0.500     0.500 peak   368 spectrum    1 weight  0.10000E+01 volume  0.16301E-01 ppm1      3.039 ppm2      7.185 CV     1
 OR {  368}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
 ASSI {  369}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HE% )
      2.800     2.800     3.200 peak   369 spectrum    1 weight  0.10000E+01 volume  0.25852E-02 ppm1      3.039 ppm2      7.411 CV     1
 OR {  369}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
 ASSI {  376}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.300     2.300     3.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.91142E-02 ppm1      4.215 ppm2      8.199 CV     1
 ASSI {  377}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.53736E-02 ppm1      7.187 ppm2      8.198 CV     1
 ASSI {  378}
   (  segid "    " and resid 8    and name HE% )
   (( segid "    " and resid 8    and name HN  ))
      3.200     1.300     1.300 peak   378 spectrum    1 weight  0.10000E+01 volume  0.11389E-02 ppm1      7.412 ppm2      8.198 CV     1
 ASSI {  392}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HE1 ))
      3.800     1.800     1.800 peak   392 spectrum    1 weight  0.10000E+01 volume  0.40629E-03 ppm1      6.120 ppm2      7.890 CV     1
 ASSI {  393}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.45390E-03 ppm1      6.120 ppm2      6.966 CV     1
 ASSI {  394}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 32   and name HE1 ))
      2.700     0.900     0.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.29219E-02 ppm1      6.962 ppm2      7.892 CV     1
 ASSI {  395}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HD2 ))
      3.400     1.500     1.500 peak   395 spectrum    1 weight  0.10000E+01 volume  0.73404E-03 ppm1      3.945 ppm2      6.118 CV     1
 ASSI {  396}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HE1 ))
      3.400     1.400     1.400 peak   396 spectrum    1 weight  0.10000E+01 volume  0.85379E-03 ppm1      3.948 ppm2      7.893 CV     1
 ASSI {  398}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.900     1.100     1.100 peak   398 spectrum    1 weight  0.10000E+01 volume  0.19494E-02 ppm1      2.090 ppm2      6.119 CV     1
 ASSI {  400}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.800     1.000     1.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.25097E-02 ppm1      0.588 ppm2      6.116 CV     1
 ASSI {  403}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HD2 ))
      2.300     0.700     0.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.74391E-02 ppm1      4.363 ppm2      6.924 CV     1
 ASSI {  404}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HD2 ))
      3.200     1.300     1.300 peak   404 spectrum    1 weight  0.10000E+01 volume  0.11766E-02 ppm1      3.329 ppm2      6.925 CV     1
 ASSI {  406}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   406 spectrum    1 weight  0.10000E+01 volume  0.17723E-02 ppm1      6.933 ppm2      7.353 CV     1
 ASSI {  408}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      3.500     1.500     1.500 peak   408 spectrum    1 weight  0.10000E+01 volume  0.70951E-03 ppm1      4.122 ppm2      7.196 CV     1
 ASSI {  409}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HD2 ))
      2.200     2.200     3.800 peak   409 spectrum    1 weight  0.10000E+01 volume  0.12014E-01 ppm1      3.095 ppm2      7.197 CV     1
 ASSI {  410}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HD2 ))
      2.700     0.900     0.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.33298E-02 ppm1      2.878 ppm2      7.197 CV     1
 ASSI {  411}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     3.200     2.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.12189E-02 ppm1      7.194 ppm2      7.437 CV     1
 ASSI {  412}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HE1 ))
      3.800     1.800     1.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.41993E-03 ppm1      2.881 ppm2      7.826 CV     1
 ASSI {  413}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HE1 ))
      3.600     1.600     1.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.57423E-03 ppm1      3.093 ppm2      7.826 CV     1
 ASSI {  415}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HE1 ))
      3.000     1.100     1.100 peak   415 spectrum    1 weight  0.10000E+01 volume  0.16635E-02 ppm1      7.203 ppm2      7.824 CV     1
 ASSI {  416}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.85946E-03 ppm1      1.550 ppm2      8.464 CV     1
 ASSI {  417}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     2.800     3.200 peak   417 spectrum    1 weight  0.10000E+01 volume  0.23138E-02 ppm1      1.774 ppm2      8.463 CV     1
 ASSI {  418}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak   418 spectrum    1 weight  0.10000E+01 volume  0.81257E-03 ppm1      1.296 ppm2      8.464 CV     1
 ASSI {  419}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak   419 spectrum    1 weight  0.10000E+01 volume  0.16867E-02 ppm1      3.145 ppm2      8.463 CV     1
 ASSI {  420}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      2.200     0.600     0.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.10239E-01 ppm1      4.491 ppm2      3.721 CV     1
 ASSI {  421}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
      2.300     0.700     0.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.77585E-02 ppm1      4.492 ppm2      3.647 CV     1
 ASSI {  425}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HE  ))
      3.100     1.200     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.13463E-02 ppm1      1.298 ppm2      7.229 CV     1
 ASSI {  426}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HE  ))
      2.900     1.000     1.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.21541E-02 ppm1      1.557 ppm2      7.232 CV     1
 OR {  426}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HE  ))
 ASSI {  427}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HE  ))
      2.900     1.000     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.21744E-02 ppm1      1.775 ppm2      7.232 CV     1
 ASSI {  428}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HE  ))
      2.500     0.800     0.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.48844E-02 ppm1      3.146 ppm2      7.229 CV     1
 OR {  428}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HE  ))
 ASSI {  429}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HE  ))
      3.000     1.200     1.200 peak   429 spectrum    1 weight  0.10000E+01 volume  0.15386E-02 ppm1      4.183 ppm2      7.231 CV     1
 ASSI {  430}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.300 peak   430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.433 ppm2      1.098 CV     1
 ASSI {  431}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.300 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.429 ppm2      1.175 CV     1
 ASSI {  432}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD2%)
      2.100     0.600     0.600 peak   432 spectrum    1 weight  0.10000E+01 volume  0.13019E-01 ppm1      1.663 ppm2      1.094 CV     1
 ASSI {  433}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD1%)
      2.200     0.600     0.600 peak   433 spectrum    1 weight  0.10000E+01 volume  0.11464E-01 ppm1      1.668 ppm2      1.175 CV     1
 ASSI {  434}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
      2.400     0.700     0.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.59992E-02 ppm1      1.971 ppm2      1.092 CV     1
 ASSI {  435}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
      2.200     0.600     0.600 peak   435 spectrum    1 weight  0.10000E+01 volume  0.97703E-02 ppm1      1.976 ppm2      1.175 CV     1
 ASSI {  436}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     4.500     0.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.971 ppm2      1.432 CV     1
 ASSI {  437}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HG3 ))
      6.000     4.500     0.300 peak   437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.668 ppm2      1.432 CV     1
 OR {  437}
   (( segid "    " and resid 30   and name HD3 ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  437}
   (( segid "    " and resid 30   and name HD3 ))
   (( segid "    " and resid 30   and name HG3 ))
 ASSI {  438}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG  ))
      2.100     2.100     3.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.13887E-01 ppm1      1.976 ppm2      1.663 CV     1
 ASSI {  439}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
      2.500     2.500     3.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.46435E-02 ppm1      3.389 ppm2      1.092 CV     1
 ASSI {  440}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
      2.100     0.600     0.600 peak   440 spectrum    1 weight  0.10000E+01 volume  0.13369E-01 ppm1      3.389 ppm2      1.177 CV     1
 ASSI {  441}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.500     0.800     0.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.53721E-02 ppm1      3.394 ppm2      1.434 CV     1
 ASSI {  442}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG  ))
      2.600     0.900     0.900 peak   442 spectrum    1 weight  0.10000E+01 volume  0.37305E-02 ppm1      3.389 ppm2      1.663 CV     1
 ASSI {  443}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.300 peak   443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.182 ppm2      1.094 CV     1
 ASSI {  444}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   444 spectrum    1 weight  0.10000E+01 volume  0.17506E-02 ppm1      1.663 ppm2      7.110 CV     1
 ASSI {  445}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.700     0.700 peak   445 spectrum    1 weight  0.10000E+01 volume  0.72446E-02 ppm1      1.433 ppm2      7.112 CV     1
 ASSI {  446}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak   446 spectrum    1 weight  0.10000E+01 volume  0.13884E-02 ppm1      1.178 ppm2      7.112 CV     1
 ASSI {  447}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak   447 spectrum    1 weight  0.10000E+01 volume  0.13822E-02 ppm1      1.099 ppm2      7.110 CV     1
 ASSI {  448}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak   448 spectrum    1 weight  0.10000E+01 volume  0.33458E-02 ppm1      0.858 ppm2      7.544 CV     1
 ASSI {  450}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.26360E-02 ppm1      1.490 ppm2      7.514 CV     1
 ASSI {  451}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak   451 spectrum    1 weight  0.10000E+01 volume  0.17897E-02 ppm1      1.617 ppm2      7.514 CV     1
 ASSI {  452}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.800     0.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.42777E-02 ppm1      2.083 ppm2      8.642 CV     1
 ASSI {  453}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.300 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.275 ppm2      2.081 CV     1
 ASSI {  454}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.300 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.386 ppm2      2.080 CV     1
 ASSI {  455}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     4.500     0.300 peak   455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.083 ppm2      1.997 CV     1
 ASSI {  456}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HE21))
      2.800     1.000     1.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.26128E-02 ppm1      2.277 ppm2      7.716 CV     1
 ASSI {  457}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HE21))
      3.000     1.100     1.100 peak   457 spectrum    1 weight  0.10000E+01 volume  0.16765E-02 ppm1      2.387 ppm2      7.716 CV     1
 ASSI {  458}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HE22))
      3.400     1.400     1.400 peak   458 spectrum    1 weight  0.10000E+01 volume  0.82128E-03 ppm1      2.282 ppm2      6.738 CV     1
 ASSI {  459}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HE22))
      3.500     1.500     1.500 peak   459 spectrum    1 weight  0.10000E+01 volume  0.70864E-03 ppm1      2.389 ppm2      6.738 CV     1
 ASSI {  460}
   (( segid "    " and resid 9    and name HE22))
   (( segid "    " and resid 9    and name HE21))
      1.800     0.400     0.400 peak   460 spectrum    1 weight  0.10000E+01 volume  0.42022E-01 ppm1      6.744 ppm2      7.716 CV     1
 ASSI {  461}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 12   and name HE1 ))
      3.700     1.800     1.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.44272E-03 ppm1      0.586 ppm2     10.071 CV     1
 ASSI {  462}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 12   and name HE1 ))
      4.200     2.200     2.100 peak   462 spectrum    1 weight  0.10000E+01 volume  0.22513E-03 ppm1      1.554 ppm2     10.072 CV     1
 ASSI {  463}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 12   and name HE1 ))
      3.700     1.700     1.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.49614E-03 ppm1      1.624 ppm2     10.070 CV     1
 ASSI {  465}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HE1 ))
      3.700     1.800     1.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.43822E-03 ppm1      2.705 ppm2     10.071 CV     1
 OR {  465}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HE1 ))
 ASSI {  468}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.400     1.400 peak   468 spectrum    1 weight  0.10000E+01 volume  0.86396E-03 ppm1      1.593 ppm2      9.895 CV     1
 ASSI {  470}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     2.800     3.200 peak   470 spectrum    1 weight  0.10000E+01 volume  0.25968E-02 ppm1      3.711 ppm2      9.888 CV     1
 ASSI {  471}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.300     1.300 peak   471 spectrum    1 weight  0.10000E+01 volume  0.99387E-03 ppm1      1.321 ppm2      9.401 CV     1
 ASSI {  473}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.100     1.100 peak   473 spectrum    1 weight  0.10000E+01 volume  0.19901E-02 ppm1      2.886 ppm2      9.402 CV     1
 ASSI {  474}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.700     3.700     2.300 peak   474 spectrum    1 weight  0.10000E+01 volume  0.50746E-03 ppm1      3.158 ppm2      9.400 CV     1
 OR {  474}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  475}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     3.300     2.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.10140E-02 ppm1      3.386 ppm2      9.400 CV     1
 ASSI {  476}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   476 spectrum    1 weight  0.10000E+01 volume  0.16257E-02 ppm1      4.596 ppm2      9.401 CV     1
 ASSI {  477}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.26563E-02 ppm1      4.673 ppm2      9.400 CV     1
 ASSI {  478}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.99677E-02 ppm1      5.107 ppm2      8.745 CV     1
 ASSI {  479}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.45869E-02 ppm1      5.107 ppm2      8.836 CV     1
 ASSI {  480}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.26752E-02 ppm1      4.610 ppm2      8.878 CV     1
 ASSI {  481}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.100     0.600     0.600 peak   481 spectrum    1 weight  0.10000E+01 volume  0.13273E-01 ppm1      4.495 ppm2      8.836 CV     1
 ASSI {  484}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.100     1.100 peak   484 spectrum    1 weight  0.10000E+01 volume  0.18609E-02 ppm1      4.500 ppm2      8.746 CV     1
 ASSI {  485}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.300     1.300 peak   485 spectrum    1 weight  0.10000E+01 volume  0.11604E-02 ppm1      4.754 ppm2      8.744 CV     1
 ASSI {  486}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.000     2.000     4.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.18623E-01 ppm1      4.756 ppm2      8.639 CV     1
 ASSI {  487}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.100     0.600     0.600 peak   487 spectrum    1 weight  0.10000E+01 volume  0.13867E-01 ppm1      4.617 ppm2      8.628 CV     1
 ASSI {  489}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak   489 spectrum    1 weight  0.10000E+01 volume  0.11450E-02 ppm1      4.124 ppm2      8.710 CV     1
 ASSI {  490}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.33995E-02 ppm1      4.012 ppm2      8.708 CV     1
 ASSI {  493}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.100     2.100     3.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.15357E-01 ppm1      4.619 ppm2      8.543 CV     1
 ASSI {  497}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     3.100     2.900 peak   497 spectrum    1 weight  0.10000E+01 volume  0.12858E-02 ppm1      3.769 ppm2      8.834 CV     1
 ASSI {  498}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     3.000     3.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.15662E-02 ppm1      3.605 ppm2      8.835 CV     1
 ASSI {  501}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak   501 spectrum    1 weight  0.10000E+01 volume  0.37363E-02 ppm1      3.142 ppm2      8.880 CV     1
 ASSI {  503}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.100     1.100 peak   503 spectrum    1 weight  0.10000E+01 volume  0.19741E-02 ppm1      2.888 ppm2      8.709 CV     1
 ASSI {  504}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak   504 spectrum    1 weight  0.10000E+01 volume  0.14544E-02 ppm1      3.043 ppm2      8.747 CV     1
 OR {  504}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  505}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     2.600     3.400 peak   505 spectrum    1 weight  0.10000E+01 volume  0.35635E-02 ppm1      3.095 ppm2      8.710 CV     1
 ASSI {  508}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.27245E-02 ppm1      3.612 ppm2      8.744 CV     1
 ASSI {  512}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.20742E-02 ppm1      3.380 ppm2      8.543 CV     1
 ASSI {  513}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak   513 spectrum    1 weight  0.10000E+01 volume  0.14166E-02 ppm1      3.424 ppm2      8.463 CV     1
 ASSI {  514}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.500     1.500 peak   514 spectrum    1 weight  0.10000E+01 volume  0.72461E-03 ppm1      2.683 ppm2      8.466 CV     1
 ASSI {  515}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     2.700     3.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.29161E-02 ppm1      3.039 ppm2      8.638 CV     1
 OR {  515}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  516}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      4.100     2.100     2.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.27376E-03 ppm1      2.737 ppm2      8.628 CV     1
 ASSI {  517}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.000     1.100     1.100 peak   517 spectrum    1 weight  0.10000E+01 volume  0.16664E-02 ppm1      3.605 ppm2      8.471 CV     1
 ASSI {  518}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   518 spectrum    1 weight  0.10000E+01 volume  0.14632E-02 ppm1      3.760 ppm2      8.470 CV     1
 ASSI {  519}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak   519 spectrum    1 weight  0.10000E+01 volume  0.13141E-02 ppm1      2.877 ppm2      8.463 CV     1
 ASSI {  520}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak   520 spectrum    1 weight  0.10000E+01 volume  0.12014E-02 ppm1      2.389 ppm2      8.835 CV     1
 ASSI {  521}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak   521 spectrum    1 weight  0.10000E+01 volume  0.10393E-02 ppm1      2.276 ppm2      8.836 CV     1
 ASSI {  522}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak   522 spectrum    1 weight  0.10000E+01 volume  0.14922E-02 ppm1      2.087 ppm2      8.835 CV     1
 ASSI {  523}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak   523 spectrum    1 weight  0.10000E+01 volume  0.13267E-02 ppm1      1.998 ppm2      8.835 CV     1
 ASSI {  524}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak   524 spectrum    1 weight  0.10000E+01 volume  0.17738E-02 ppm1      2.036 ppm2      8.880 CV     1
 ASSI {  526}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.50644E-03 ppm1      1.548 ppm2      8.877 CV     1
 ASSI {  527}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.200     1.200 peak   527 spectrum    1 weight  0.10000E+01 volume  0.12268E-02 ppm1      1.440 ppm2      8.882 CV     1
 OR {  527}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  528}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.600     1.600     1.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.60457E-03 ppm1      1.526 ppm2      8.837 CV     1
 ASSI {  529}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.26171E-02 ppm1      1.512 ppm2      8.744 CV     1
 ASSI {  530}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 29   and name HN  ))
      3.400     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.84291E-03 ppm1      1.447 ppm2      8.710 CV     1
 ASSI {  531}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.800     1.800     1.800 peak   531 spectrum    1 weight  0.10000E+01 volume  0.42849E-03 ppm1      1.553 ppm2      8.707 CV     1
 ASSI {  532}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.800     1.800     1.800 peak   532 spectrum    1 weight  0.10000E+01 volume  0.39133E-03 ppm1      1.678 ppm2      8.708 CV     1
 ASSI {  533}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak   533 spectrum    1 weight  0.10000E+01 volume  0.11096E-02 ppm1      1.859 ppm2      8.711 CV     1
 OR {  533}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  534}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 9    and name HN  ))
      4.500     2.500     1.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.14515E-03 ppm1      1.802 ppm2      8.626 CV     1
 ASSI {  535}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.400     1.400 peak   535 spectrum    1 weight  0.10000E+01 volume  0.81330E-03 ppm1      1.571 ppm2      8.629 CV     1
 ASSI {  537}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak   537 spectrum    1 weight  0.10000E+01 volume  0.13064E-02 ppm1      1.532 ppm2      8.535 CV     1
 ASSI {  538}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      3.000     1.200     1.200 peak   538 spectrum    1 weight  0.10000E+01 volume  0.15488E-02 ppm1      1.780 ppm2      8.530 CV     1
 ASSI {  539}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.16548E-02 ppm1      1.098 ppm2      8.881 CV     1
 ASSI {  540}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.16562E-02 ppm1      1.181 ppm2      8.836 CV     1
 ASSI {  541}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      3.600     1.600     1.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.60065E-03 ppm1      1.096 ppm2      8.831 CV     1
 ASSI {  542}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.400     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.86875E-03 ppm1      1.181 ppm2      8.713 CV     1
 ASSI {  543}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.47146E-03 ppm1      1.100 ppm2      8.739 CV     1
 ASSI {  544}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.400     1.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.83492E-03 ppm1      1.181 ppm2      8.739 CV     1
 ASSI {  545}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   545 spectrum    1 weight  0.10000E+01 volume  0.33487E-02 ppm1      1.094 ppm2      8.635 CV     1
 ASSI {  547}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.29510E-02 ppm1      4.899 ppm2      8.459 CV     1
 ASSI {  548}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 32   and name HE1 ))
      3.700     1.700     1.700 peak   548 spectrum    1 weight  0.10000E+01 volume  0.51094E-03 ppm1      4.620 ppm2      7.892 CV     1
 ASSI {  549}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   549 spectrum    1 weight  0.10000E+01 volume  0.31948E-02 ppm1      4.318 ppm2      7.966 CV     1
 ASSI {  551}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     2.900     3.100 peak   551 spectrum    1 weight  0.10000E+01 volume  0.20612E-02 ppm1      4.090 ppm2      8.198 CV     1
 ASSI {  552}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.100     1.100 peak   552 spectrum    1 weight  0.10000E+01 volume  0.19843E-02 ppm1      4.495 ppm2      8.202 CV     1
 ASSI {  553}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.200     0.600     0.600 peak   553 spectrum    1 weight  0.10000E+01 volume  0.10759E-01 ppm1      4.411 ppm2      7.683 CV     1
 ASSI {  554}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.200     0.600     0.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.97471E-02 ppm1      4.177 ppm2      7.795 CV     1
 ASSI {  555}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak   555 spectrum    1 weight  0.10000E+01 volume  0.14042E-02 ppm1      3.947 ppm2      7.859 CV     1
 ASSI {  557}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 32   and name HE1 ))
      2.900     1.000     1.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.21280E-02 ppm1      3.384 ppm2      7.892 CV     1
 ASSI {  558}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak   558 spectrum    1 weight  0.10000E+01 volume  0.13353E-02 ppm1      3.384 ppm2      7.963 CV     1
 ASSI {  559}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.300     1.300 peak   559 spectrum    1 weight  0.10000E+01 volume  0.98676E-03 ppm1      3.137 ppm2      7.966 CV     1
 ASSI {  560}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 32   and name HE1 ))
      2.600     0.800     0.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.43575E-02 ppm1      2.890 ppm2      7.893 CV     1
 ASSI {  561}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 32   and name HE1 ))
      3.000     1.100     1.100 peak   561 spectrum    1 weight  0.10000E+01 volume  0.17694E-02 ppm1      2.705 ppm2      7.892 CV     1
 OR {  561}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 32   and name HE1 ))
 ASSI {  562}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.200     1.200 peak   562 spectrum    1 weight  0.10000E+01 volume  0.15531E-02 ppm1      3.655 ppm2      8.201 CV     1
 ASSI {  563}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.400     1.400 peak   563 spectrum    1 weight  0.10000E+01 volume  0.81664E-03 ppm1      3.719 ppm2      8.199 CV     1
 ASSI {  564}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   564 spectrum    1 weight  0.10000E+01 volume  0.53068E-03 ppm1      3.148 ppm2      8.196 CV     1
 OR {  564}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
 OR {  564}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
 OR {  564}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  565}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.000     1.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.21454E-02 ppm1      2.701 ppm2      8.202 CV     1
 ASSI {  566}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak   566 spectrum    1 weight  0.10000E+01 volume  0.14951E-02 ppm1      3.150 ppm2      7.795 CV     1
 OR {  566}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  567}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 28   and name HE1 ))
      3.100     1.200     1.200 peak   567 spectrum    1 weight  0.10000E+01 volume  0.12544E-02 ppm1      3.150 ppm2      7.824 CV     1
 ASSI {  568}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak   568 spectrum    1 weight  0.10000E+01 volume  0.67888E-03 ppm1      2.587 ppm2      7.858 CV     1
 ASSI {  569}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.200     1.200 peak   569 spectrum    1 weight  0.10000E+01 volume  0.15125E-02 ppm1      2.234 ppm2      7.859 CV     1
 ASSI {  570}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.13758E-02 ppm1      1.997 ppm2      7.861 CV     1
 OR {  570}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  572}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 28   and name HE1 ))
      2.700     0.900     0.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.32326E-02 ppm1      1.567 ppm2      7.826 CV     1
 OR {  572}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 28   and name HE1 ))
 ASSI {  573}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     2.900     3.100 peak   573 spectrum    1 weight  0.10000E+01 volume  0.20147E-02 ppm1      1.525 ppm2      7.793 CV     1
 ASSI {  574}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak   574 spectrum    1 weight  0.10000E+01 volume  0.35505E-03 ppm1      1.774 ppm2      7.796 CV     1
 ASSI {  575}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.400     1.400 peak   575 spectrum    1 weight  0.10000E+01 volume  0.91824E-03 ppm1      1.706 ppm2      7.681 CV     1
 OR {  575}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  576}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.300     1.300 peak   576 spectrum    1 weight  0.10000E+01 volume  0.96992E-03 ppm1      1.644 ppm2      7.681 CV     1
 ASSI {  577}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     2.700     3.300 peak   577 spectrum    1 weight  0.10000E+01 volume  0.34924E-02 ppm1      1.976 ppm2      7.965 CV     1
 ASSI {  578}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.26462E-02 ppm1      1.672 ppm2      7.965 CV     1
 ASSI {  579}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      4.400     2.400     1.900 peak   579 spectrum    1 weight  0.10000E+01 volume  0.16765E-03 ppm1      1.544 ppm2      7.967 CV     1
 ASSI {  581}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.12563E-02 ppm1      1.527 ppm2      8.202 CV     1
 ASSI {  582}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.900     1.900     1.900 peak   582 spectrum    1 weight  0.10000E+01 volume  0.32732E-03 ppm1      1.631 ppm2      8.204 CV     1
 ASSI {  584}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.29002E-03 ppm1      1.885 ppm2      8.198 CV     1
 ASSI {  586}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 28   and name HE1 ))
      3.200     1.300     1.300 peak   586 spectrum    1 weight  0.10000E+01 volume  0.11830E-02 ppm1      1.300 ppm2      7.826 CV     1
 ASSI {  587}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      3.200     1.300     1.300 peak   587 spectrum    1 weight  0.10000E+01 volume  0.10727E-02 ppm1      1.094 ppm2      7.964 CV     1
 ASSI {  588}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak   588 spectrum    1 weight  0.10000E+01 volume  0.55449E-03 ppm1      1.179 ppm2      7.964 CV     1
 ASSI {  589}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 8    and name HN  ))
      3.000     3.000     3.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.16199E-02 ppm1      1.098 ppm2      8.199 CV     1
 ASSI {  590}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.100     1.100 peak   590 spectrum    1 weight  0.10000E+01 volume  0.19538E-02 ppm1      1.181 ppm2      8.199 CV     1
 ASSI {  592}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HE1 ))
      4.000     2.000     2.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.28436E-03 ppm1      0.584 ppm2      7.893 CV     1
 ASSI {  593}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 12   and name HZ3 ))
      3.300     1.400     1.400 peak   593 spectrum    1 weight  0.10000E+01 volume  0.86265E-03 ppm1      0.584 ppm2      7.077 CV     1
 ASSI {  594}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 12   and name HH2 ))
      3.900     1.900     1.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.35897E-03 ppm1      0.588 ppm2      7.158 CV     1
 ASSI {  595}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak   595 spectrum    1 weight  0.10000E+01 volume  0.16112E-02 ppm1      0.580 ppm2      7.295 CV     1
 ASSI {  596}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 12   and name HE3 ))
      3.600     1.600     1.600 peak   596 spectrum    1 weight  0.10000E+01 volume  0.57931E-03 ppm1      0.582 ppm2      7.392 CV     1
 ASSI {  597}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 12   and name HZ2 ))
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.10000E+01 volume  0.14347E-02 ppm1      0.584 ppm2      7.500 CV     1
 ASSI {  598}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 28   and name HN  ))
      3.400     1.500     1.500 peak   598 spectrum    1 weight  0.10000E+01 volume  0.72533E-03 ppm1      0.859 ppm2      7.437 CV     1
 ASSI {  599}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     2.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.23399E-03 ppm1      0.867 ppm2      7.314 CV     1
 ASSI {  600}
   (( segid "    " and resid 27   and name HG  ))
   (( segid "    " and resid 24   and name HD2 ))
      2.800     1.000     1.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.27115E-02 ppm1      0.871 ppm2      6.925 CV     1
 ASSI {  601}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 19   and name HE% )
      3.700     1.700     1.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.44722E-03 ppm1      1.091 ppm2      6.928 CV     1
 ASSI {  602}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 19   and name HE% )
      2.600     0.900     0.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.38335E-02 ppm1      1.179 ppm2      6.932 CV     1
 ASSI {  603}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 19   and name HE% )
      2.700     0.900     0.900 peak   603 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      1.298 ppm2      6.932 CV     1
 ASSI {  604}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 19   and name HE% )
      3.700     1.700     1.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.50078E-03 ppm1      1.433 ppm2      6.925 CV     1
 ASSI {  605}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 19   and name HE% )
      3.000     1.100     1.100 peak   605 spectrum    1 weight  0.10000E+01 volume  0.18406E-02 ppm1      1.548 ppm2      6.929 CV     1
 ASSI {  608}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 8    and name HD% )
      2.300     0.700     0.700 peak   608 spectrum    1 weight  0.10000E+01 volume  0.80691E-02 ppm1      1.099 ppm2      7.185 CV     1
 ASSI {  609}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 28   and name HD2 ))
      2.500     0.800     0.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.49251E-02 ppm1      1.185 ppm2      7.196 CV     1
 ASSI {  610}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.29684E-02 ppm1      1.101 ppm2      7.353 CV     1
 ASSI {  611}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 19   and name HD% )
      2.900     1.100     1.100 peak   611 spectrum    1 weight  0.10000E+01 volume  0.19581E-02 ppm1      1.095 ppm2      7.428 CV     1
 ASSI {  612}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 19   and name HD% )
      2.400     0.700     0.700 peak   612 spectrum    1 weight  0.10000E+01 volume  0.65334E-02 ppm1      1.177 ppm2      7.432 CV     1
 ASSI {  613}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 19   and name HD% )
      3.200     1.300     1.300 peak   613 spectrum    1 weight  0.10000E+01 volume  0.10328E-02 ppm1      1.437 ppm2      7.430 CV     1
 ASSI {  614}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.25808E-02 ppm1      1.554 ppm2      7.437 CV     1
 ASSI {  615}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     2.500     3.500 peak   615 spectrum    1 weight  0.10000E+01 volume  0.46188E-02 ppm1      1.671 ppm2      7.435 CV     1
 ASSI {  617}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.68208E-02 ppm1      1.449 ppm2      7.542 CV     1
 ASSI {  619}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.59092E-03 ppm1      1.429 ppm2      7.351 CV     1
 ASSI {  621}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      2.800     1.000     1.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.23254E-02 ppm1      1.429 ppm2      7.192 CV     1
 ASSI {  622}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 8    and name HD% )
      3.100     3.100     2.900 peak   622 spectrum    1 weight  0.10000E+01 volume  0.12534E-02 ppm1      1.654 ppm2      7.193 CV     1
 ASSI {  623}
   (( segid "    " and resid 7    and name HG3 ))
   (  segid "    " and resid 8    and name HE% )
      2.800     1.000     1.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.25852E-02 ppm1      1.791 ppm2      7.400 CV     1
 ASSI {  624}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 8    and name HE% )
      3.800     1.800     1.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.40629E-03 ppm1      1.871 ppm2      7.401 CV     1
 ASSI {  625}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.52284E-02 ppm1      1.861 ppm2      7.514 CV     1
 OR {  625}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  626}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.11881E-02 ppm1      1.990 ppm2      7.538 CV     1
 OR {  626}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 27   and name HN  ))
 OR {  626}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  627}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.400     1.400     1.400 peak   627 spectrum    1 weight  0.10000E+01 volume  0.85771E-03 ppm1      2.084 ppm2      7.513 CV     1
 ASSI {  628}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 19   and name HD% )
      3.100     1.200     1.200 peak   628 spectrum    1 weight  0.10000E+01 volume  0.12591E-02 ppm1      1.984 ppm2      7.430 CV     1
 ASSI {  630}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.500     1.500 peak   630 spectrum    1 weight  0.10000E+01 volume  0.65566E-03 ppm1      2.010 ppm2      6.968 CV     1
 OR {  630}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  631}
   (( segid "    " and resid 29   and name HG3 ))
   (  segid "    " and resid 19   and name HE% )
      3.200     1.300     1.300 peak   631 spectrum    1 weight  0.10000E+01 volume  0.12003E-02 ppm1      2.002 ppm2      6.925 CV     1
 OR {  631}
   (( segid "    " and resid 29   and name HG2 ))
   (  segid "    " and resid 19   and name HE% )
 OR {  631}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 19   and name HE% )
 ASSI {  632}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 19   and name HE% )
      3.000     1.100     1.100 peak   632 spectrum    1 weight  0.10000E+01 volume  0.17244E-02 ppm1      1.766 ppm2      6.949 CV     1
 ASSI {  633}
   (( segid "    " and resid 7    and name HG3 ))
   (  segid "    " and resid 8    and name HD% )
      2.800     0.900     0.900 peak   633 spectrum    1 weight  0.10000E+01 volume  0.27884E-02 ppm1      1.801 ppm2      7.185 CV     1
 ASSI {  634}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   634 spectrum    1 weight  0.10000E+01 volume  0.11315E-02 ppm1      2.623 ppm2      7.353 CV     1
 ASSI {  636}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.22818E-02 ppm1      2.818 ppm2      7.480 CV     1
 ASSI {  637}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HE3 ))
      2.300     0.600     0.600 peak   637 spectrum    1 weight  0.10000E+01 volume  0.88776E-02 ppm1      2.718 ppm2      7.396 CV     1
 ASSI {  638}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.500     1.500     1.500 peak   638 spectrum    1 weight  0.10000E+01 volume  0.66742E-03 ppm1      2.738 ppm2      7.353 CV     1
 ASSI {  639}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 12   and name HH2 ))
      3.000     3.000     3.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.15880E-02 ppm1      2.585 ppm2      7.164 CV     1
 ASSI {  640}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 12   and name HZ3 ))
      2.900     2.900     3.100 peak   640 spectrum    1 weight  0.10000E+01 volume  0.18797E-02 ppm1      2.589 ppm2      7.081 CV     1
 ASSI {  641}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HZ3 ))
      3.100     3.100     2.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.13845E-02 ppm1      2.718 ppm2      7.080 CV     1
 OR {  641}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HZ3 ))
 ASSI {  642}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.81257E-03 ppm1      2.599 ppm2      6.965 CV     1
 ASSI {  643}
   (( segid "    " and resid 21   and name HD3 ))
   (  segid "    " and resid 19   and name HE% )
      3.700     1.700     1.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.50426E-03 ppm1      2.629 ppm2      6.924 CV     1
 ASSI {  645}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.46565E-03 ppm1      2.802 ppm2      7.112 CV     1
 ASSI {  646}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak   646 spectrum    1 weight  0.10000E+01 volume  0.32268E-03 ppm1      2.878 ppm2      7.111 CV     1
 ASSI {  647}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.600     0.900     0.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.36884E-02 ppm1      2.894 ppm2      6.953 CV     1
 ASSI {  648}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 19   and name HE% )
      3.100     1.200     1.200 peak   648 spectrum    1 weight  0.10000E+01 volume  0.13865E-02 ppm1      2.861 ppm2      6.917 CV     1
 ASSI {  649}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.29728E-02 ppm1      2.019 ppm2      7.349 CV     1
 ASSI {  650}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.300     1.300 peak   650 spectrum    1 weight  0.10000E+01 volume  0.10199E-02 ppm1      2.109 ppm2      7.302 CV     1
 ASSI {  651}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 19   and name HD% )
      2.500     0.800     0.800 peak   651 spectrum    1 weight  0.10000E+01 volume  0.46290E-02 ppm1      2.808 ppm2      7.432 CV     1
 ASSI {  652}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      3.400     1.400     1.400 peak   652 spectrum    1 weight  0.10000E+01 volume  0.80517E-03 ppm1      2.792 ppm2      7.188 CV     1
 ASSI {  653}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.500     0.800     0.800 peak   653 spectrum    1 weight  0.10000E+01 volume  0.50252E-02 ppm1      2.703 ppm2      6.950 CV     1
 ASSI {  657}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak   657 spectrum    1 weight  0.10000E+01 volume  0.62184E-02 ppm1      3.156 ppm2      7.114 CV     1
 ASSI {  659}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     3.300     2.700 peak   659 spectrum    1 weight  0.10000E+01 volume  0.89255E-03 ppm1      3.088 ppm2      7.546 CV     1
 ASSI {  660}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.400     1.400 peak   660 spectrum    1 weight  0.10000E+01 volume  0.82810E-03 ppm1      3.336 ppm2      7.483 CV     1
 ASSI {  661}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      2.700     0.900     0.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.31106E-02 ppm1      3.386 ppm2      7.437 CV     1
 ASSI {  662}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 8    and name HE% )
      2.800     1.000     1.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.24444E-02 ppm1      3.453 ppm2      7.405 CV     1
 OR {  662}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
 ASSI {  663}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 19   and name HD% )
      2.300     0.700     0.700 peak   663 spectrum    1 weight  0.10000E+01 volume  0.79414E-02 ppm1      3.726 ppm2      7.430 CV     1
 ASSI {  664}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.29887E-02 ppm1      3.718 ppm2      7.483 CV     1
 ASSI {  665}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.400     1.400 peak   665 spectrum    1 weight  0.10000E+01 volume  0.95511E-03 ppm1      3.660 ppm2      7.512 CV     1
 ASSI {  666}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak   666 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      3.656 ppm2      7.314 CV     1
 ASSI {  667}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 28   and name HD2 ))
      2.700     0.900     0.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.34401E-02 ppm1      3.654 ppm2      7.197 CV     1
 ASSI {  668}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 8    and name HD% )
      3.500     1.500     1.500 peak   668 spectrum    1 weight  0.10000E+01 volume  0.67366E-03 ppm1      3.738 ppm2      7.182 CV     1
 ASSI {  669}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.700     1.700 peak   669 spectrum    1 weight  0.10000E+01 volume  0.52531E-03 ppm1      3.718 ppm2      7.110 CV     1
 ASSI {  670}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 28   and name HD2 ))
      2.400     0.700     0.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.58192E-02 ppm1      3.422 ppm2      7.196 CV     1
 ASSI {  671}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.100     1.100 peak   671 spectrum    1 weight  0.10000E+01 volume  0.20322E-02 ppm1      3.658 ppm2      6.966 CV     1
 ASSI {  672}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 19   and name HE% )
      3.800     1.800     1.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.43633E-03 ppm1      3.714 ppm2      6.930 CV     1
 ASSI {  673}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 19   and name HE% )
      2.800     1.000     1.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.23167E-02 ppm1      3.392 ppm2      6.944 CV     1
 ASSI {  674}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 19   and name HE% )
      3.100     1.200     1.200 peak   674 spectrum    1 weight  0.10000E+01 volume  0.13559E-02 ppm1      3.082 ppm2      6.932 CV     1
 ASSI {  675}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.500     1.500 peak   675 spectrum    1 weight  0.10000E+01 volume  0.75567E-03 ppm1      3.055 ppm2      7.114 CV     1
 OR {  675}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  676}
   (( segid "    " and resid 30   and name HE3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.600     1.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.63258E-03 ppm1      2.965 ppm2      7.317 CV     1
 OR {  676}
   (( segid "    " and resid 30   and name HE2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  677}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.000     1.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.21715E-02 ppm1      4.009 ppm2      7.437 CV     1
 ASSI {  679}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 19   and name HD% )
      3.300     3.300     2.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.85975E-03 ppm1      3.605 ppm2      7.437 CV     1
 ASSI {  680}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      2.800     1.000     1.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.23428E-02 ppm1      3.152 ppm2      7.402 CV     1
 ASSI {  681}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 19   and name HD% )
      2.900     1.000     1.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.20539E-02 ppm1      3.185 ppm2      7.433 CV     1
 ASSI {  682}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak   682 spectrum    1 weight  0.10000E+01 volume  0.18159E-02 ppm1      3.947 ppm2      7.298 CV     1
 ASSI {  683}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.300     1.400     1.400 peak   683 spectrum    1 weight  0.10000E+01 volume  0.86904E-03 ppm1      4.365 ppm2      7.433 CV     1
 ASSI {  684}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HE3 ))
      2.600     0.900     0.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.36114E-02 ppm1      4.445 ppm2      7.394 CV     1
 ASSI {  685}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 12   and name HZ2 ))
      3.400     1.500     1.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.77570E-03 ppm1      4.406 ppm2      7.497 CV     1
 ASSI {  686}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak   686 spectrum    1 weight  0.10000E+01 volume  0.17985E-02 ppm1      4.367 ppm2      7.547 CV     1
 ASSI {  687}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   687 spectrum    1 weight  0.10000E+01 volume  0.13772E-02 ppm1      4.713 ppm2      7.483 CV     1
 ASSI {  688}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      2.500     0.800     0.800 peak   688 spectrum    1 weight  0.10000E+01 volume  0.56116E-02 ppm1      4.613 ppm2      7.404 CV     1
 ASSI {  689}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      4.300     2.300     2.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.20409E-03 ppm1      4.746 ppm2      7.435 CV     1
 ASSI {  690}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      2.700     0.900     0.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.30598E-02 ppm1      5.111 ppm2      7.430 CV     1
 ASSI {  691}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 19   and name HE% )
      3.400     1.400     1.400 peak   691 spectrum    1 weight  0.10000E+01 volume  0.80299E-03 ppm1      5.107 ppm2      6.924 CV     1
 ASSI {  692}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD1 ))
      3.600     1.600     1.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.58744E-03 ppm1      4.449 ppm2      6.952 CV     1
 ASSI {  693}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 12   and name HD1 ))
      3.500     1.500     1.500 peak   693 spectrum    1 weight  0.10000E+01 volume  0.64202E-03 ppm1      4.607 ppm2      6.947 CV     1
 ASSI {  694}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 12   and name HZ3 ))
      3.500     1.600     1.600 peak   694 spectrum    1 weight  0.10000E+01 volume  0.62111E-03 ppm1      4.422 ppm2      7.079 CV     1
 ASSI {  695}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.100     1.200     1.200 peak   695 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      4.357 ppm2      7.112 CV     1
 ASSI {  696}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 12   and name HH2 ))
      3.000     1.200     1.200 peak   696 spectrum    1 weight  0.10000E+01 volume  0.15227E-02 ppm1      4.402 ppm2      7.163 CV     1
 ASSI {  697}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      3.400     3.400     2.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.80618E-03 ppm1      4.500 ppm2      7.190 CV     1
 ASSI {  698}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      3.000     1.100     1.100 peak   698 spectrum    1 weight  0.10000E+01 volume  0.17680E-02 ppm1      4.609 ppm2      7.188 CV     1
 ASSI {  699}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   699 spectrum    1 weight  0.10000E+01 volume  0.71546E-03 ppm1      4.119 ppm2      7.314 CV     1
 ASSI {  700}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.400     1.400 peak   700 spectrum    1 weight  0.10000E+01 volume  0.89357E-03 ppm1      4.119 ppm2      7.511 CV     1
 ASSI {  701}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.600     1.600     1.600 peak   701 spectrum    1 weight  0.10000E+01 volume  0.54404E-03 ppm1      4.160 ppm2      7.484 CV     1
 ASSI {  702}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 19   and name HD% )
      3.400     1.500     1.500 peak   702 spectrum    1 weight  0.10000E+01 volume  0.75436E-03 ppm1      4.496 ppm2      7.432 CV     1
 ASSI {  703}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 19   and name HZ  ))
      3.600     1.600     1.600 peak   703 spectrum    1 weight  0.10000E+01 volume  0.59078E-03 ppm1      1.174 ppm2      6.335 CV     1
 ASSI {  704}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 19   and name HZ  ))
      2.800     1.000     1.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.27550E-02 ppm1      1.294 ppm2      6.332 CV     1
 ASSI {  705}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 19   and name HZ  ))
      2.700     0.900     0.900 peak   705 spectrum    1 weight  0.10000E+01 volume  0.32573E-02 ppm1      1.534 ppm2      6.332 CV     1
 OR {  705}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 19   and name HZ  ))
 ASSI {  706}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 19   and name HZ  ))
      3.700     1.700     1.700 peak   706 spectrum    1 weight  0.10000E+01 volume  0.49236E-03 ppm1      1.763 ppm2      6.334 CV     1
 ASSI {  707}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.500     0.800     0.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.45999E-02 ppm1      2.001 ppm2      6.116 CV     1
 ASSI {  708}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.700     0.900     0.900 peak   708 spectrum    1 weight  0.10000E+01 volume  0.28653E-02 ppm1      2.715 ppm2      6.114 CV     1
 ASSI {  709}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 19   and name HZ  ))
      2.700     0.900     0.900 peak   709 spectrum    1 weight  0.10000E+01 volume  0.32645E-02 ppm1      2.881 ppm2      6.332 CV     1
 ASSI {  710}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 19   and name HZ  ))
      2.900     1.100     1.100 peak   710 spectrum    1 weight  0.10000E+01 volume  0.19915E-02 ppm1      3.101 ppm2      6.332 CV     1
 ASSI {  712}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 19   and name HZ  ))
      3.600     1.700     1.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.52430E-03 ppm1      3.421 ppm2      6.336 CV     1
 ASSI {  714}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HD2 ))
      2.200     0.600     0.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.10921E-01 ppm1      3.650 ppm2      6.117 CV     1
 ASSI {  715}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 19   and name HZ  ))
      3.500     1.600     1.600 peak   715 spectrum    1 weight  0.10000E+01 volume  0.62271E-03 ppm1      4.116 ppm2      6.334 CV     1
 ASSI {  716}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     2.500     3.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.44315E-02 ppm1      7.491 ppm2      9.888 CV     1
 ASSI {  717}
   (( segid "    " and resid 32   and name HE1 ))
   (( segid "    " and resid 12   and name HE1 ))
      4.000     2.000     2.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.28726E-03 ppm1      7.901 ppm2     10.070 CV     1
 ASSI {  718}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.200     2.100 peak   718 spectrum    1 weight  0.10000E+01 volume  0.23660E-03 ppm1      6.120 ppm2      9.399 CV     1
 ASSI {  719}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     3.300     2.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.93189E-03 ppm1      6.952 ppm2      9.399 CV     1
 ASSI {  720}
   (( segid "    " and resid 12   and name HE3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.400     1.400 peak   720 spectrum    1 weight  0.10000E+01 volume  0.84712E-03 ppm1      7.400 ppm2      9.401 CV     1
 ASSI {  721}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.300     0.700     0.700 peak   721 spectrum    1 weight  0.10000E+01 volume  0.77744E-02 ppm1      8.205 ppm2      9.400 CV     1
 ASSI {  722}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      4.100     2.100     2.100 peak   722 spectrum    1 weight  0.10000E+01 volume  0.27231E-03 ppm1      6.117 ppm2      8.710 CV     1
 ASSI {  724}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 10   and name HN  ))
      3.600     1.600     1.600 peak   724 spectrum    1 weight  0.10000E+01 volume  0.57539E-03 ppm1      6.947 ppm2      8.831 CV     1
 ASSI {  725}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.500     1.500 peak   725 spectrum    1 weight  0.10000E+01 volume  0.75524E-03 ppm1      6.939 ppm2      8.732 CV     1
 ASSI {  726}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 9    and name HN  ))
      2.900     2.900     3.100 peak   726 spectrum    1 weight  0.10000E+01 volume  0.22557E-02 ppm1      7.186 ppm2      8.634 CV     1
 ASSI {  727}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak   727 spectrum    1 weight  0.10000E+01 volume  0.13000E-02 ppm1      7.198 ppm2      8.710 CV     1
 ASSI {  728}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak   728 spectrum    1 weight  0.10000E+01 volume  0.50412E-03 ppm1      7.197 ppm2      8.744 CV     1
 ASSI {  729}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     0.900     0.900 peak   729 spectrum    1 weight  0.10000E+01 volume  0.37058E-02 ppm1      7.316 ppm2      8.711 CV     1
 ASSI {  730}
   (  segid "    " and resid 8    and name HE% )
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.31803E-02 ppm1      7.415 ppm2      8.629 CV     1
 ASSI {  731}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.100     2.100     2.100 peak   731 spectrum    1 weight  0.10000E+01 volume  0.24081E-03 ppm1      7.481 ppm2      8.630 CV     1
 ASSI {  732}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   732 spectrum    1 weight  0.10000E+01 volume  0.29582E-02 ppm1      7.441 ppm2      8.712 CV     1
 ASSI {  733}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.33603E-02 ppm1      7.437 ppm2      8.745 CV     1
 ASSI {  734}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.200     2.200     2.100 peak   734 spectrum    1 weight  0.10000E+01 volume  0.23181E-03 ppm1      7.548 ppm2      8.711 CV     1
 ASSI {  735}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.67569E-03 ppm1      7.440 ppm2      8.831 CV     1
 ASSI {  736}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.800     0.800 peak   736 spectrum    1 weight  0.10000E+01 volume  0.43764E-02 ppm1      7.359 ppm2      8.883 CV     1
 ASSI {  737}
   (  segid "    " and resid 19   and name HD% )
   (( segid "    " and resid 23   and name HN  ))
      3.600     3.600     2.400 peak   737 spectrum    1 weight  0.10000E+01 volume  0.60413E-03 ppm1      7.432 ppm2      8.882 CV     1
 OR {  737}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  738}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.700     3.700     2.300 peak   738 spectrum    1 weight  0.10000E+01 volume  0.45186E-03 ppm1      7.197 ppm2      8.834 CV     1
 ASSI {  739}
   (( segid "    " and resid 29   and name HE  ))
   (( segid "    " and resid 29   and name HN  ))
      4.100     2.100     2.100 peak   739 spectrum    1 weight  0.10000E+01 volume  0.25533E-03 ppm1      7.648 ppm2      8.708 CV     1
 ASSI {  740}
   (( segid "    " and resid 9    and name HE21))
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak   740 spectrum    1 weight  0.10000E+01 volume  0.38495E-03 ppm1      7.727 ppm2      8.836 CV     1
 ASSI {  741}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.900     1.900     1.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.32558E-03 ppm1      7.805 ppm2      8.745 CV     1
 ASSI {  742}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.21120E-02 ppm1      8.202 ppm2      8.744 CV     1
 ASSI {  744}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.300     1.300 peak   744 spectrum    1 weight  0.10000E+01 volume  0.10065E-02 ppm1      8.202 ppm2      8.838 CV     1
 ASSI {  745}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.14675E-02 ppm1      8.204 ppm2      8.637 CV     1
 ASSI {  746}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak   746 spectrum    1 weight  0.10000E+01 volume  0.79762E-03 ppm1      7.813 ppm2      8.461 CV     1
 ASSI {  747}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   747 spectrum    1 weight  0.10000E+01 volume  0.46028E-02 ppm1      8.632 ppm2      8.881 CV     1
 ASSI {  748}
   (( segid "    " and resid 19   and name HZ  ))
   (( segid "    " and resid 28   and name HE1 ))
      3.800     1.800     1.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.38829E-03 ppm1      6.339 ppm2      7.824 CV     1
 ASSI {  750}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 21   and name HE  ))
      2.800     1.000     1.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.25373E-02 ppm1      6.949 ppm2      8.088 CV     1
 ASSI {  751}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak   751 spectrum    1 weight  0.10000E+01 volume  0.14266E-02 ppm1      6.955 ppm2      8.203 CV     1
 ASSI {  752}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak   752 spectrum    1 weight  0.10000E+01 volume  0.44228E-02 ppm1      7.113 ppm2      7.965 CV     1
 ASSI {  753}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak   753 spectrum    1 weight  0.10000E+01 volume  0.56029E-02 ppm1      7.304 ppm2      7.860 CV     1
 ASSI {  754}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 28   and name HE1 ))
      3.200     1.300     1.300 peak   754 spectrum    1 weight  0.10000E+01 volume  0.11032E-02 ppm1      6.949 ppm2      7.826 CV     1
 ASSI {  755}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.800     0.800 peak   755 spectrum    1 weight  0.10000E+01 volume  0.40672E-02 ppm1      7.546 ppm2      7.964 CV     1
 ASSI {  756}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.27507E-02 ppm1      7.439 ppm2      7.964 CV     1
 ASSI {  757}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.28363E-02 ppm1      7.690 ppm2      7.859 CV     1
 ASSI {  758}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 28   and name HD2 ))
      3.100     1.200     1.200 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12641E-02 ppm1      6.112 ppm2      7.197 CV     1
 ASSI {  759}
   (( segid "    " and resid 19   and name HZ  ))
   (( segid "    " and resid 28   and name HD2 ))
      3.500     1.500     1.500 peak   759 spectrum    1 weight  0.10000E+01 volume  0.66277E-03 ppm1      6.344 ppm2      7.200 CV     1
 ASSI {  760}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 12   and name HE3 ))
      3.900     1.900     1.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.34576E-03 ppm1      6.123 ppm2      7.392 CV     1
 ASSI {  761}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.200     0.600     0.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.10165E-01 ppm1      6.963 ppm2      7.301 CV     1
 ASSI {  765}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 29   and name HE  ))
      2.400     2.400     3.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.63621E-02 ppm1      6.935 ppm2      7.647 CV     1
 OR {  765}
   (  segid "    " and resid 19   and name HE% )
   (( segid "    " and resid 29   and name HE  ))
 ASSI {  766}
   (( segid "    " and resid 12   and name HZ3 ))
   (( segid "    " and resid 29   and name HE  ))
      2.800     1.000     1.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.27550E-02 ppm1      7.083 ppm2      7.647 CV     1
 ASSI {  767}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   767 spectrum    1 weight  0.10000E+01 volume  0.29031E-02 ppm1      7.321 ppm2      7.513 CV     1
 ASSI {  768}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     3.300     2.700 peak   768 spectrum    1 weight  0.10000E+01 volume  0.93348E-03 ppm1      5.108 ppm2      4.490 CV     1
 ASSI {  769}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      3.700     1.800     1.800 peak   769 spectrum    1 weight  0.10000E+01 volume  0.44069E-03 ppm1      4.721 ppm2      4.489 CV     1
 ASSI {  771}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HA2 ))
      3.100     1.200     1.200 peak   771 spectrum    1 weight  0.10000E+01 volume  0.12805E-02 ppm1      4.417 ppm2      3.933 CV     1
 OR {  771}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HA1 ))
 ASSI {  774}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      2.900     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.21280E-02 ppm1      4.719 ppm2      3.720 CV     1
 ASSI {  775}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
      2.500     2.500     3.500 peak   775 spectrum    1 weight  0.10000E+01 volume  0.47306E-02 ppm1      4.713 ppm2      3.651 CV     1
 ASSI {  777}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.700     0.900     0.900 peak   777 spectrum    1 weight  0.10000E+01 volume  0.30555E-02 ppm1      4.498 ppm2      3.598 CV     1
 ASSI {  778}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.900     1.000     1.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.21367E-02 ppm1      4.501 ppm2      3.767 CV     1
 ASSI {  779}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD3 ))
      2.700     0.900     0.900 peak   779 spectrum    1 weight  0.10000E+01 volume  0.34024E-02 ppm1      4.183 ppm2      3.162 CV     1
 ASSI {  780}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HD2 ))
      3.000     3.000     3.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.17070E-02 ppm1      4.087 ppm2      3.162 CV     1
 ASSI {  781}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.900     1.000     1.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.20917E-02 ppm1      3.726 ppm2      3.033 CV     1
 ASSI {  782}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 24   and name HB3 ))
      3.700     1.700     1.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.50064E-03 ppm1      3.717 ppm2      3.163 CV     1
 ASSI {  783}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 24   and name HB2 ))
      4.300     2.300     2.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.20525E-03 ppm1      3.728 ppm2      3.328 CV     1
 ASSI {  784}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HD3 ))
      3.300     1.300     1.300 peak   784 spectrum    1 weight  0.10000E+01 volume  0.10084E-02 ppm1      4.033 ppm2      3.385 CV     1
 ASSI {  786}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
      3.200     1.300     1.300 peak   786 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      3.973 ppm2      2.586 CV     1
 ASSI {  787}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.300     0.600     0.600 peak   787 spectrum    1 weight  0.10000E+01 volume  0.89299E-02 ppm1      4.117 ppm2      2.881 CV     1
 ASSI {  790}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 26   and name HB% )
      2.200     0.600     0.600 peak   790 spectrum    1 weight  0.10000E+01 volume  0.93944E-02 ppm1      4.319 ppm2      1.446 CV     1
 ASSI {  791}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.600     0.900     0.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.36361E-02 ppm1      4.489 ppm2      2.084 CV     1
 ASSI {  792}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.400     0.700     0.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.66060E-02 ppm1      4.089 ppm2      2.045 CV     1
 ASSI {  793}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.100     0.600     0.600 peak   793 spectrum    1 weight  0.10000E+01 volume  0.12771E-01 ppm1      4.009 ppm2      1.996 CV     1
 ASSI {  794}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HD2 ))
      2.300     2.300     3.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.72838E-02 ppm1      4.089 ppm2      1.622 CV     1
 ASSI {  795}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
      2.900     2.900     3.100 peak   795 spectrum    1 weight  0.10000E+01 volume  0.18551E-02 ppm1      4.029 ppm2      1.172 CV     1
 ASSI {  801}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
      2.300     0.700     0.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.80401E-02 ppm1      4.590 ppm2      1.177 CV     1
 ASSI {  803}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HG  ))
      2.500     0.800     0.800 peak   803 spectrum    1 weight  0.10000E+01 volume  0.44257E-02 ppm1      4.363 ppm2      0.858 CV     1
 ASSI {  804}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HG3 ))
      2.400     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.62184E-02 ppm1      3.659 ppm2      1.797 CV     1
 ASSI {  805}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 25   and name HD1%)
      2.600     0.900     0.900 peak   805 spectrum    1 weight  0.10000E+01 volume  0.35882E-02 ppm1      2.862 ppm2      1.174 CV     1
 ASSI {  807}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 25   and name HD2%)
      2.200     0.600     0.600 peak   807 spectrum    1 weight  0.10000E+01 volume  0.11519E-01 ppm1      3.035 ppm2      1.088 CV     1
 ASSI {  808}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 25   and name HD1%)
      2.800     0.900     0.900 peak   808 spectrum    1 weight  0.10000E+01 volume  0.27841E-02 ppm1      3.046 ppm2      1.181 CV     1
 ASSI {  809}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
      3.300     3.300     2.700 peak   809 spectrum    1 weight  0.10000E+01 volume  0.90039E-03 ppm1      3.153 ppm2      1.180 CV     1
 OR {  809}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 25   and name HD1%)
 OR {  809}
   (( segid "    " and resid 17   and name HD3 ))
   (  segid "    " and resid 25   and name HD1%)
 OR {  809}
   (( segid "    " and resid 17   and name HD2 ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI {  810}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.200     3.200     2.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11612E-02 ppm1      3.144 ppm2      1.970 CV     1
 ASSI {  811}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.26621E-02 ppm1      3.046 ppm2      1.974 CV     1
 ASSI {  812}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 26   and name HB% )
      3.700     1.700     1.700 peak   812 spectrum    1 weight  0.10000E+01 volume  0.51326E-03 ppm1      2.620 ppm2      1.444 CV     1
 ASSI {  813}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
      1.900     0.400     0.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.26868E-01 ppm1      2.086 ppm2      0.580 CV     1
 ASSI {  814}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.300     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.78702E-02 ppm1      3.953 ppm2      0.578 CV     1
 ASSI {  815}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.43575E-03 ppm1      1.283 ppm2      8.201 CV     1
 ASSI {  816}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   816 spectrum    1 weight  0.10000E+01 volume  0.16925E-02 ppm1      2.016 ppm2      8.199 CV     1
 ASSI {  818}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      3.000     1.100     1.100 peak   818 spectrum    1 weight  0.10000E+01 volume  0.16968E-02 ppm1      1.283 ppm2      7.187 CV     1
 ASSI {  819}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      2.800     1.000     1.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.24473E-02 ppm1      2.012 ppm2      7.188 CV     1
 ASSI {  820}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HH22))
      3.600     1.600     1.600 peak   820 spectrum    1 weight  0.10000E+01 volume  0.56479E-03 ppm1      3.151 ppm2      8.283 CV     1
 OR {  820}
   (( segid "    " and resid 21   and name HD2 ))
   (( segid "    " and resid 21   and name HH21))
 ASSI {  821}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HH22))
      3.100     1.200     1.200 peak   821 spectrum    1 weight  0.10000E+01 volume  0.12823E-02 ppm1      2.642 ppm2      8.284 CV     1
 OR {  821}
   (( segid "    " and resid 21   and name HD3 ))
   (( segid "    " and resid 21   and name HH21))
 ASSI {  822}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HE  ))
      2.600     0.800     0.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.43357E-02 ppm1      3.394 ppm2      7.649 CV     1
 ASSI {  823}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HE  ))
      3.000     1.100     1.100 peak   823 spectrum    1 weight  0.10000E+01 volume  0.16170E-02 ppm1      3.556 ppm2      7.649 CV     1
 ASSI {  824}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HE  ))
      2.600     0.900     0.900 peak   824 spectrum    1 weight  0.10000E+01 volume  0.38204E-02 ppm1      2.003 ppm2      7.650 CV     1
 ASSI {  826}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.23602E-02 ppm1      1.320 ppm2      8.201 CV     1
 ASSI {  827}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.47828E-02 ppm1      3.143 ppm2      8.626 CV     1
 ASSI {  828}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.68875E-02 ppm1      3.712 ppm2      2.807 CV     1
 ASSI {  829}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.900     1.100     1.100 peak   829 spectrum    1 weight  0.10000E+01 volume  0.19625E-02 ppm1      4.287 ppm2      1.231 CV     1
 ASSI {  830}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HB3 ))
      2.900     2.900     3.100 peak   830 spectrum    1 weight  0.10000E+01 volume  0.20525E-02 ppm1      1.828 ppm2      0.889 CV     1
 ASSI {  832}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.59542E-02 ppm1      2.091 ppm2      6.971 CV     1
 ASSI {  833}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
      3.500     1.500     1.500 peak   833 spectrum    1 weight  0.10000E+01 volume  0.69151E-03 ppm1      2.020 ppm2      7.402 CV     1
 ASSI {  834}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.47131E-02 ppm1      2.972 ppm2      8.873 CV     1
 OR {  834}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  835}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   835 spectrum    1 weight  0.10000E+01 volume  0.70530E-02 ppm1      4.269 ppm2      8.874 CV     1
 ASSI {  836}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.000     2.000     4.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.20075E-01 ppm1      4.087 ppm2      8.874 CV     1
 ASSI {  837}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.23529E-02 ppm1      1.624 ppm2      8.875 CV     1
 ASSI {  838}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.100     0.600     0.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.14016E-01 ppm1      4.270 ppm2      2.970 CV     1
 OR {  838}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  839}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      3.700     1.800     1.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.43778E-03 ppm1      4.166 ppm2      8.155 CV     1
 ASSI {  840}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.600     1.700     1.700 peak   840 spectrum    1 weight  0.10000E+01 volume  0.52183E-03 ppm1      4.159 ppm2      1.817 CV     1
 ASSI {  845}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.800     1.800     1.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.38683E-03 ppm1      7.510 ppm2      8.710 CV     1
 ASSI {  851}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak   851 spectrum    1 weight  0.10000E+01 volume  0.71154E-03 ppm1      6.938 ppm2      7.538 CV     1
 ASSI {  852}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak   852 spectrum    1 weight  0.10000E+01 volume  0.13852E-02 ppm1      3.448 ppm2      8.880 CV     1
 OR {  852}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  853}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.100     2.100     2.100 peak   853 spectrum    1 weight  0.10000E+01 volume  0.26229E-03 ppm1      3.345 ppm2      8.879 CV     1
 ASSI {  854}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.47117E-03 ppm1      6.945 ppm2      8.879 CV     1
 ASSI {  855}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   855 spectrum    1 weight  0.10000E+01 volume  0.48060E-02 ppm1      8.200 ppm2      8.877 CV     1
 ASSI {  858}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 32   and name HD2 ))
      3.600     1.700     1.700 peak   858 spectrum    1 weight  0.10000E+01 volume  0.52633E-03 ppm1      3.380 ppm2      6.116 CV     1
 OR {  858}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
 ASSI {  859}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 32   and name HD2 ))
      3.500     1.500     1.500 peak   859 spectrum    1 weight  0.10000E+01 volume  0.65522E-03 ppm1      3.555 ppm2      6.116 CV     1
 ASSI {  860}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HN  ))
      4.000     2.000     2.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.28436E-03 ppm1      3.386 ppm2      8.710 CV     1
 ASSI {  861}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.700     1.700     1.700 peak   861 spectrum    1 weight  0.10000E+01 volume  0.50325E-03 ppm1      3.553 ppm2      8.710 CV     1
 ASSI {  863}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.400     1.400 peak   863 spectrum    1 weight  0.10000E+01 volume  0.87528E-03 ppm1      1.811 ppm2      8.197 CV     1
 ASSI {  865}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.900     0.900 peak   865 spectrum    1 weight  0.10000E+01 volume  0.36622E-02 ppm1      3.457 ppm2      8.627 CV     1
 OR {  865}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  866}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
      6.000     4.500     0.300 peak   866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.164 ppm2      0.892 CV     1
 ASSI {  867}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
      3.800     1.800     1.800 peak   867 spectrum    1 weight  0.10000E+01 volume  0.43401E-03 ppm1      3.716 ppm2      1.092 CV     1
 ASSI {  868}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
      3.800     1.800     1.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.43227E-03 ppm1      3.714 ppm2      1.176 CV     1
 ASSI {  869}
   (( segid "    " and resid 29   and name HD2 ))
   (  segid "    " and resid 25   and name HD1%)
      3.000     1.100     1.100 peak   869 spectrum    1 weight  0.10000E+01 volume  0.16736E-02 ppm1      3.554 ppm2      1.177 CV     1
 ASSI {  870}
   (( segid "    " and resid 29   and name HD2 ))
   (  segid "    " and resid 25   and name HD2%)
      3.600     1.600     1.600 peak   870 spectrum    1 weight  0.10000E+01 volume  0.54592E-03 ppm1      3.552 ppm2      1.093 CV     1
 ASSI {  871}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 26   and name HB% )
      3.500     1.500     1.500 peak   871 spectrum    1 weight  0.10000E+01 volume  0.66509E-03 ppm1      2.741 ppm2      1.445 CV     1
 ASSI {  872}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      3.600     1.700     1.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.51907E-03 ppm1      4.420 ppm2      0.941 CV     1
 ASSI {  873}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 12   and name HZ2 ))
      3.700     1.700     1.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.47494E-03 ppm1      2.006 ppm2      7.510 CV     1
 OR {  873}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
 OR {  873}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
 OR {  873}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 12   and name HZ2 ))
 OR {  873}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  874}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG3 ))
      2.200     0.600     0.600 peak   874 spectrum    1 weight  0.10000E+01 volume  0.10905E-01 ppm1      3.555 ppm2      1.996 CV     1
 OR {  874}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  875}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HG3 ))
      2.500     0.800     0.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.47552E-02 ppm1      3.393 ppm2      1.996 CV     1
 OR {  875}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HB3 ))
 OR {  875}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  877}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
      3.800     1.800     1.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.40193E-03 ppm1      4.471 ppm2      1.795 CV     1
 ASSI {  881}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak   881 spectrum    1 weight  0.10000E+01 volume  0.35389E-03 ppm1      3.646 ppm2      2.082 CV     1
 ASSI {  882}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.500     1.500     1.500 peak   882 spectrum    1 weight  0.10000E+01 volume  0.69296E-03 ppm1      3.951 ppm2      2.084 CV     1
 ASSI {  885}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak   885 spectrum    1 weight  0.10000E+01 volume  0.14544E-02 ppm1      8.202 ppm2      8.543 CV     1
 ASSI {  886}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.600     2.600     3.400 peak   886 spectrum    1 weight  0.10000E+01 volume  0.41949E-02 ppm1      3.655 ppm2      1.528 CV     1
 ASSI {  887}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.800     1.000     1.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.27129E-02 ppm1      3.730 ppm2      1.530 CV     1
 ASSI {  888}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.400     0.700     0.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.57365E-02 ppm1      4.176 ppm2      1.553 CV     1
 OR {  888}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  891}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HG  ))
      2.300     0.700     0.700 peak   891 spectrum    1 weight  0.10000E+01 volume  0.82404E-02 ppm1      1.558 ppm2      0.848 CV     1
 ASSI {  892}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.600     0.800     0.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.39496E-02 ppm1      3.043 ppm2      1.431 CV     1
 ASSI {  893}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG3 ))
      2.600     0.800     0.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.42196E-02 ppm1      3.151 ppm2      1.285 CV     1
 OR {  893}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  895}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HD2 ))
      2.500     0.800     0.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.48118E-02 ppm1      3.161 ppm2      6.931 CV     1
 OR {  895}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 19   and name HE% )
 OR {  895}
   (( segid "    " and resid 17   and name HD2 ))
   (  segid "    " and resid 19   and name HE% )

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  12.073  -6.088  10.936
    2   2H    GLY   1          2H        GLY   1  10.969  -6.928   9.959
    3   3H    GLY   1          3H        GLY   1  10.944  -5.235  10.004
    4   1HA   GLY   1          2HA       GLY   1  13.482  -5.695   9.266
    5   2HA   GLY   1          1HA       GLY   1  12.625  -7.016   8.481
    6    H    SER   2           H        SER   2  13.367  -5.862   6.518
    7    HA   SER   2           HA       SER   2  12.026  -3.368   5.908
    8   1HB   SER   2          1HB       SER   2  13.264  -4.693   3.641
    9   2HB   SER   2          2HB       SER   2  13.659  -3.141   4.383
   10    HG   SER   2           HG       SER   2  14.834  -4.337   5.995
   11    H    THR   3           H        THR   3   9.859  -3.760   5.845
   12    HA   THR   3           HA       THR   3   8.921  -5.700   3.833
   13    HB   THR   3           HB       THR   3   6.862  -4.801   5.677
   14    HG1  THR   3           1HG      THR   3   8.977  -6.330   6.842
   15   1HG2  THR   3          1HG2      THR   3   7.295  -6.963   4.103
   16   2HG2  THR   3          2HG2      THR   3   6.135  -6.924   5.430
   17   3HG2  THR   3          3HG2      THR   3   7.738  -7.613   5.681
   18    H    GLY   4           H        GLY   4   9.755  -3.211   2.995
   19   1HA   GLY   4          1HA       GLY   4   7.329  -1.570   2.768
   20   2HA   GLY   4          2HA       GLY   4   8.965  -1.050   2.385
   21    H    ILE   5           H        ILE   5   9.157  -3.834   1.038
   22    HA   ILE   5           HA       ILE   5   8.348  -2.880  -1.579
   23    HB   ILE   5           HB       ILE   5   9.800  -5.396  -0.742
   24   1HG1  ILE   5          2HG1      ILE   5  11.395  -3.682  -2.349
   25   2HG1  ILE   5          1HG1      ILE   5  10.657  -2.684  -1.099
   26   1HG2  ILE   5          1HG2      ILE   5  10.148  -4.617  -3.505
   27   2HG2  ILE   5          2HG2      ILE   5   9.644  -6.168  -2.834
   28   3HG2  ILE   5          3HG2      ILE   5   8.448  -4.908  -3.140
   29   1HD1  ILE   5          1HD1      ILE   5  11.476  -4.404   0.559
   30   2HD1  ILE   5          2HD1      ILE   5  12.443  -5.065  -0.759
   31   3HD1  ILE   5          3HD1      ILE   5  12.703  -3.406  -0.220
   32    H    LYS   6           H        LYS   6   6.110  -2.911  -1.166
   33    HA   LYS   6           HA       LYS   6   4.887  -5.594  -1.125
   34   1HB   LYS   6          1HB       LYS   6   3.586  -3.035  -0.166
   35   2HB   LYS   6          2HB       LYS   6   3.019  -4.685   0.072
   36   1HG   LYS   6          1HG       LYS   6   5.686  -4.220   1.156
   37   2HG   LYS   6          2HG       LYS   6   4.442  -3.203   1.882
   38   1HD   LYS   6          1HD       LYS   6   3.525  -5.925   1.594
   39   2HD   LYS   6          2HD       LYS   6   5.030  -5.856   2.512
   40   1HE   LYS   6          2HE       LYS   6   2.443  -4.432   3.101
   41   2HE   LYS   6          1HE       LYS   6   3.223  -5.688   4.059
   42   1HZ   LYS   6          1HZ       LYS   6   3.674  -2.858   4.050
   43   2HZ   LYS   6          2HZ       LYS   6   5.114  -3.730   3.881
   44   3HZ   LYS   6          3HZ       LYS   6   4.100  -4.015   5.212
   45    HA   PRO   7           HA       PRO   7   3.127  -4.517  -5.035
   46   1HB   PRO   7          1HB       PRO   7   0.977  -6.157  -5.087
   47   2HB   PRO   7          2HB       PRO   7   2.629  -6.753  -5.268
   48   1HG   PRO   7          1HG       PRO   7   0.835  -6.821  -2.887
   49   2HG   PRO   7          2HG       PRO   7   2.000  -8.031  -3.452
   50   1HD   PRO   7          1HD       PRO   7   2.454  -6.248  -1.397
   51   2HD   PRO   7          2HD       PRO   7   3.732  -7.044  -2.340
   52    H    PHE   8           H        PHE   8   1.185  -4.468  -2.144
   53    HA   PHE   8           HA       PHE   8  -0.806  -2.712  -3.347
   54   1HB   PHE   8          1HB       PHE   8  -0.596  -3.857  -0.554
   55   2HB   PHE   8          2HB       PHE   8  -1.946  -2.904  -1.160
   56    HD1  PHE   8           1HD      PHE   8  -0.803  -4.997  -3.755
   57    HD2  PHE   8           2HD      PHE   8  -3.036  -5.047  -0.141
   58    HE1  PHE   8           1HE      PHE   8  -1.914  -7.069  -4.478
   59    HE2  PHE   8           2HE      PHE   8  -4.144  -7.124  -0.845
   60    HZ   PHE   8           HZ       PHE   8  -3.586  -8.142  -3.021
   61    H    GLN   9           H        GLN   9   1.549  -1.533  -3.470
   62    HA   GLN   9           HA       GLN   9   2.249  -0.073  -1.113
   63   1HB   GLN   9          1HB       GLN   9   4.018  -0.590  -2.620
   64   2HB   GLN   9          2HB       GLN   9   3.135   0.057  -3.994
   65   1HG   GLN   9          1HG       GLN   9   4.275   1.930  -3.733
   66   2HG   GLN   9          2HG       GLN   9   3.364   2.199  -2.249
   67   1HE2  GLN   9          1HE2      GLN   9   4.471   2.390  -0.444
   68   2HE2  GLN   9          2HE2      GLN   9   6.121   1.913  -0.209
   69    H    CYS  10           H        CYS  10   1.455   1.786  -0.425
   70    HA   CYS  10           HA       CYS  10  -0.622   3.180  -1.803
   71   1HB   CYS  10          1HB       CYS  10  -0.915   3.590   0.415
   72   2HB   CYS  10          2HB       CYS  10   0.786   3.364   0.786
   73    H    THR  11           H        THR  11  -0.393   4.741  -3.275
   74    HA   THR  11           HA       THR  11   2.280   5.469  -4.068
   75    HB   THR  11           HB       THR  11   0.037   6.656  -5.551
   76    HG1  THR  11           1HG      THR  11   0.332   3.844  -5.765
   77   1HG2  THR  11          1HG2      THR  11   1.908   4.698  -6.754
   78   2HG2  THR  11          2HG2      THR  11   2.619   6.172  -6.098
   79   3HG2  THR  11          3HG2      THR  11   1.379   6.273  -7.347
   80    H    TRP  12           H        TRP  12   1.139   6.681  -1.583
   81    HA   TRP  12           HA       TRP  12   0.975   9.501  -2.382
   82   1HB   TRP  12          1HB       TRP  12  -0.196   8.048  -0.294
   83   2HB   TRP  12          2HB       TRP  12   1.028   9.050   0.480
   84    HD1  TRP  12           HD       TRP  12   0.443  11.521   0.874
   85    HE1  TRP  12           1HE      TRP  12  -1.543  13.041   0.263
   86    HE3  TRP  12           3HE      TRP  12  -2.029   8.377  -2.309
   87    HZ2  TRP  12           2HZ      TRP  12  -3.849  12.923  -1.354
   88    HZ3  TRP  12           3HZ      TRP  12  -4.125   9.156  -3.345
   89    HH2  TRP  12           HH       TRP  12  -5.013  11.386  -2.877
   90    HA   PRO  13           HA       PRO  13   5.361   9.653  -2.107
   91   1HB   PRO  13          1HB       PRO  13   4.908  12.590  -2.021
   92   2HB   PRO  13          2HB       PRO  13   5.888  11.633  -3.138
   93   1HG   PRO  13          1HG       PRO  13   3.561  12.632  -3.923
   94   2HG   PRO  13          2HG       PRO  13   4.051  10.999  -4.414
   95   1HD   PRO  13          1HD       PRO  13   2.116  11.840  -2.288
   96   2HD   PRO  13          2HD       PRO  13   1.996  10.507  -3.458
   97    H    ASP  14           H        ASP  14   3.684  12.075  -0.078
   98    HA   ASP  14           HA       ASP  14   5.879  12.193   1.752
   99   1HB   ASP  14          1HB       ASP  14   4.907  14.137   2.259
  100   2HB   ASP  14          2HB       ASP  14   3.556  13.725   1.211
  101    H    CYS  15           H        CYS  15   3.234  10.128   1.384
  102    HA   CYS  15           HA       CYS  15   3.165   9.296   4.160
  103   1HB   CYS  15          1HB       CYS  15   1.076   9.459   2.936
  104   2HB   CYS  15          2HB       CYS  15   1.667   8.349   1.715
  105    H    ASP  16           H        ASP  16   3.673   7.637   1.037
  106    HA   ASP  16           HA       ASP  16   5.051   5.958   0.391
  107   1HB   ASP  16          1HB       ASP  16   6.734   7.579   1.498
  108   2HB   ASP  16          2HB       ASP  16   6.762   6.397   2.795
  109    H    ARG  17           H        ARG  17   2.896   4.996   1.495
  110    HA   ARG  17           HA       ARG  17   3.699   3.077   3.560
  111   1HB   ARG  17          1HB       ARG  17   1.225   4.461   2.863
  112   2HB   ARG  17          2HB       ARG  17   0.988   2.742   3.165
  113   1HG   ARG  17          1HG       ARG  17   0.701   4.234   5.150
  114   2HG   ARG  17          2HG       ARG  17   1.855   2.912   5.356
  115   1HD   ARG  17          1HD       ARG  17   3.520   4.808   4.464
  116   2HD   ARG  17          2HD       ARG  17   2.306   5.836   5.227
  117    HE   ARG  17           HE       ARG  17   3.032   3.721   6.960
  118   1HH1  ARG  17          2HH1      ARG  17   4.352   6.675   5.622
  119   2HH1  ARG  17          1HH1      ARG  17   5.296   7.048   7.036
  120   1HH2  ARG  17          2HH2      ARG  17   4.258   4.208   8.821
  121   2HH2  ARG  17          1HH2      ARG  17   5.229   5.649   8.862
  122    H    SER  18           H        SER  18   3.037   0.837   3.336
  123    HA   SER  18           HA       SER  18   2.459  -0.065   0.618
  124   1HB   SER  18          1HB       SER  18   4.442  -1.803   1.228
  125   2HB   SER  18          2HB       SER  18   4.704  -0.326   0.303
  126    HG   SER  18           HG       SER  18   5.774   0.512   1.919
  127    H    PHE  19           H        PHE  19   1.050  -1.723   0.666
  128    HA   PHE  19           HA       PHE  19   0.562  -2.927   3.308
  129   1HB   PHE  19          1HB       PHE  19  -1.279  -2.114   1.076
  130   2HB   PHE  19          2HB       PHE  19  -1.803  -3.177   2.379
  131    HD1  PHE  19           1HD      PHE  19  -0.536   0.197   1.601
  132    HD2  PHE  19           2HD      PHE  19  -2.371  -2.330   4.483
  133    HE1  PHE  19           1HE      PHE  19  -1.016   2.162   2.994
  134    HE2  PHE  19           2HE      PHE  19  -2.838  -0.385   5.903
  135    HZ   PHE  19           HZ       PHE  19  -2.152   1.871   5.160
  136    H    SER  20           H        SER  20  -0.606  -4.931   3.332
  137    HA   SER  20           HA       SER  20  -0.046  -6.705   1.048
  138   1HB   SER  20          1HB       SER  20  -0.401  -8.358   3.243
  139   2HB   SER  20          2HB       SER  20   1.156  -7.902   2.551
  140    HG   SER  20           HG       SER  20   1.330  -7.310   4.637
  141    H    ARG  21           H        ARG  21  -2.269  -5.206   3.061
  142    HA   ARG  21           HA       ARG  21  -4.430  -7.102   2.499
  143   1HB   ARG  21          1HB       ARG  21  -4.397  -4.741   4.393
  144   2HB   ARG  21          2HB       ARG  21  -5.705  -5.898   4.212
  145   1HG   ARG  21          1HG       ARG  21  -4.648  -6.622   6.126
  146   2HG   ARG  21          2HG       ARG  21  -3.942  -7.658   4.885
  147   1HD   ARG  21          1HD       ARG  21  -2.032  -7.023   5.935
  148   2HD   ARG  21          2HD       ARG  21  -2.166  -5.688   4.794
  149    HE   ARG  21           HE       ARG  21  -2.840  -4.265   6.556
  150   1HH1  ARG  21          2HH1      ARG  21  -2.178  -7.538   7.646
  151   2HH1  ARG  21          1HH1      ARG  21  -1.920  -7.067   9.299
  152   1HH2  ARG  21          2HH2      ARG  21  -2.541  -3.659   8.751
  153   2HH2  ARG  21          1HH2      ARG  21  -2.168  -4.883   9.935
  154    H    SER  22           H        SER  22  -5.712  -6.684   0.841
  155    HA   SER  22           HA       SER  22  -5.613  -4.221  -0.596
  156   1HB   SER  22          1HB       SER  22  -7.872  -5.715  -1.396
  157   2HB   SER  22          2HB       SER  22  -6.290  -5.658  -2.177
  158    HG   SER  22           HG       SER  22  -6.545  -7.764  -1.682
  159    H    ASP  23           H        ASP  23  -7.608  -5.500   1.910
  160    HA   ASP  23           HA       ASP  23  -9.760  -3.597   1.481
  161   1HB   ASP  23          1HB       ASP  23 -10.796  -4.717   3.408
  162   2HB   ASP  23          2HB       ASP  23 -10.305  -5.882   2.188
  163    H    HIS  24           H        HIS  24  -6.771  -3.638   2.912
  164    HA   HIS  24           HA       HIS  24  -7.644  -1.674   4.902
  165   1HB   HIS  24          1HB       HIS  24  -5.577  -3.667   4.961
  166   2HB   HIS  24          2HB       HIS  24  -4.900  -2.068   5.280
  167    HD1  HIS  24           1HD      HIS  24  -4.568  -2.996   7.795
  168    HD2  HIS  24           2HD      HIS  24  -8.478  -2.420   6.512
  169    HE1  HIS  24           1HE      HIS  24  -5.973  -3.021   9.884
  170    HE2  HIS  24           2HE      HIS  24  -8.310  -2.475   9.099
  171    H    LEU  25           H        LEU  25  -5.367  -2.085   2.260
  172    HA   LEU  25           HA       LEU  25  -4.455   0.620   2.318
  173   1HB   LEU  25          1HB       LEU  25  -2.945  -0.717   1.255
  174   2HB   LEU  25          2HB       LEU  25  -4.175  -1.755   0.566
  175    HG   LEU  25           HG       LEU  25  -4.616   0.532  -0.825
  176   1HD1  LEU  25          1HD1      LEU  25  -1.653   0.413  -0.852
  177   2HD1  LEU  25          2HD1      LEU  25  -2.737   1.756  -1.216
  178   3HD1  LEU  25          3HD1      LEU  25  -2.438   1.294   0.460
  179   1HD2  LEU  25          1HD2      LEU  25  -4.400  -1.070  -2.352
  180   2HD2  LEU  25          2HD2      LEU  25  -2.655  -0.818  -2.284
  181   3HD2  LEU  25          3HD2      LEU  25  -3.409  -2.046  -1.266
  182    H    ALA  26           H        ALA  26  -7.260  -0.981   1.009
  183    HA   ALA  26           HA       ALA  26  -7.885   0.975  -0.978
  184   1HB   ALA  26          1HB       ALA  26  -8.924  -1.266  -0.935
  185   2HB   ALA  26          2HB       ALA  26  -9.780  -0.822   0.542
  186   3HB   ALA  26          3HB       ALA  26 -10.118   0.031  -0.964
  187    H    LEU  27           H        LEU  27  -8.873   0.568   2.440
  188    HA   LEU  27           HA       LEU  27 -10.397   2.997   2.406
  189   1HB   LEU  27          1HB       LEU  27 -10.471   2.727   4.887
  190   2HB   LEU  27          2HB       LEU  27 -11.108   1.378   3.975
  191    HG   LEU  27           HG       LEU  27  -8.639   0.437   4.365
  192   1HD1  LEU  27          1HD1      LEU  27  -9.122   2.319   6.670
  193   2HD1  LEU  27          2HD1      LEU  27  -7.944   1.009   6.689
  194   3HD1  LEU  27          3HD1      LEU  27  -7.765   2.340   5.546
  195   1HD2  LEU  27          1HD2      LEU  27 -11.063   0.364   6.122
  196   2HD2  LEU  27          2HD2      LEU  27 -10.432  -0.877   5.040
  197   3HD2  LEU  27          3HD2      LEU  27  -9.607  -0.529   6.560
  198    H    HIS  28           H        HIS  28  -7.142   2.084   3.215
  199    HA   HIS  28           HA       HIS  28  -6.288   4.455   4.478
  200   1HB   HIS  28          1HB       HIS  28  -4.923   2.488   4.609
  201   2HB   HIS  28          2HB       HIS  28  -4.840   2.368   2.862
  202    HD1  HIS  28           1HD      HIS  28  -3.128   3.863   5.765
  203    HD2  HIS  28           2HD      HIS  28  -3.099   4.245   1.633
  204    HE1  HIS  28           1HE      HIS  28  -1.028   5.135   5.169
  205    H    ARG  29           H        ARG  29  -6.729   3.533   1.156
  206    HA   ARG  29           HA       ARG  29  -5.435   5.909   0.138
  207   1HB   ARG  29          1HB       ARG  29  -6.809   3.549  -1.139
  208   2HB   ARG  29          2HB       ARG  29  -6.237   4.931  -2.082
  209   1HG   ARG  29          1HG       ARG  29  -4.052   4.308  -0.542
  210   2HG   ARG  29          2HG       ARG  29  -4.754   2.724  -0.886
  211   1HD   ARG  29          1HD       ARG  29  -3.401   2.984  -2.708
  212   2HD   ARG  29          2HD       ARG  29  -4.900   3.680  -3.322
  213    HE   ARG  29           HE       ARG  29  -3.229   5.641  -2.092
  214   1HH1  ARG  29          2HH1      ARG  29  -3.658   3.753  -4.995
  215   2HH1  ARG  29          1HH1      ARG  29  -2.935   4.948  -6.036
  216   1HH2  ARG  29          2HH2      ARG  29  -2.284   7.229  -3.474
  217   2HH2  ARG  29          1HH2      ARG  29  -2.171   6.911  -5.174
  218    H    LYS  30           H        LYS  30  -8.693   4.717   0.646
  219    HA   LYS  30           HA       LYS  30 -10.057   6.732  -0.799
  220   1HB   LYS  30          1HB       LYS  30 -10.743   4.671   1.186
  221   2HB   LYS  30          2HB       LYS  30 -11.795   6.079   1.201
  222   1HG   LYS  30          1HG       LYS  30 -12.835   5.422  -0.642
  223   2HG   LYS  30          2HG       LYS  30 -11.312   5.152  -1.490
  224   1HD   LYS  30          1HD       LYS  30 -12.074   3.005  -1.453
  225   2HD   LYS  30          2HD       LYS  30 -11.243   3.029   0.104
  226   1HE   LYS  30          2HE       LYS  30 -13.681   2.107  -0.072
  227   2HE   LYS  30          1HE       LYS  30 -13.205   3.098   1.307
  228   1HZ   LYS  30          1HZ       LYS  30 -14.452   4.289  -1.103
  229   2HZ   LYS  30          2HZ       LYS  30 -14.326   4.942   0.461
  230   3HZ   LYS  30          3HZ       LYS  30 -15.389   3.659   0.163
  231    H    ARG  31           H        ARG  31  -8.936   6.510   2.547
  232    HA   ARG  31           HA       ARG  31 -10.090   9.009   3.328
  233   1HB   ARG  31          1HB       ARG  31  -8.927   8.716   5.413
  234   2HB   ARG  31          2HB       ARG  31  -9.592   7.165   4.923
  235   1HG   ARG  31          1HG       ARG  31  -7.578   6.211   4.784
  236   2HG   ARG  31          2HG       ARG  31  -6.856   7.619   4.004
  237   1HD   ARG  31          1HD       ARG  31  -7.502   8.259   6.716
  238   2HD   ARG  31          2HD       ARG  31  -6.566   6.766   6.679
  239    HE   ARG  31           HE       ARG  31  -4.749   7.932   5.782
  240   1HH1  ARG  31          2HH1      ARG  31  -7.505  10.030   6.343
  241   2HH1  ARG  31          1HH1      ARG  31  -6.594  11.494   6.131
  242   1HH2  ARG  31          2HH2      ARG  31  -3.550   9.854   5.516
  243   2HH2  ARG  31          1HH2      ARG  31  -4.340  11.396   5.647
  244    H    HIS  32           H        HIS  32  -7.298   8.129   1.608
  245    HA   HIS  32           HA       HIS  32  -5.593  10.306   2.272
  246   1HB   HIS  32          1HB       HIS  32  -5.678   8.131   0.308
  247   2HB   HIS  32          2HB       HIS  32  -4.954   9.606  -0.312
  248    HD1  HIS  32           1HD      HIS  32  -3.479  10.443   2.381
  249    HD2  HIS  32           2HD      HIS  32  -3.415   6.691   0.576
  250    HE1  HIS  32           1HE      HIS  32  -1.332   9.307   3.135
  251    H    MET  33           H        MET  33  -7.919   9.670  -0.312
  252    HA   MET  33           HA       MET  33  -7.635  12.361  -1.352
  253   1HB   MET  33          1HB       MET  33  -9.129  11.650  -3.120
  254   2HB   MET  33          2HB       MET  33  -7.849  10.462  -2.905
  255   1HG   MET  33          1HG       MET  33  -9.647   9.378  -1.303
  256   2HG   MET  33          2HG       MET  33 -10.737  10.269  -2.356
  257   1HE   MET  33          1HE       MET  33 -10.421   8.670  -5.756
  258   2HE   MET  33          2HE       MET  33 -10.969  10.026  -4.770
  259   3HE   MET  33          3HE       MET  33  -9.309   9.982  -5.368
  260    H    LEU  34           H        LEU  34  -9.022  11.259   1.252
  261    HA   LEU  34           HA       LEU  34 -10.680  11.888   2.646
  262   1HB   LEU  34          1HB       LEU  34 -10.182  14.276   0.960
  263   2HB   LEU  34          2HB       LEU  34 -11.614  14.292   1.971
  264    HG   LEU  34           HG       LEU  34  -9.630  13.440   3.695
  265   1HD1  LEU  34          1HD1      LEU  34  -7.708  14.692   3.399
  266   2HD1  LEU  34          2HD1      LEU  34  -8.091  14.203   1.749
  267   3HD1  LEU  34          3HD1      LEU  34  -8.493  15.828   2.302
  268   1HD2  LEU  34          1HD2      LEU  34  -9.780  16.094   4.210
  269   2HD2  LEU  34          2HD2      LEU  34 -11.228  15.859   3.232
  270   3HD2  LEU  34          3HD2      LEU  34 -10.995  14.913   4.702
  271    H    VAL  35           H        VAL  35 -11.709  10.069   1.247
  272    HA   VAL  35           HA       VAL  35 -14.381  11.032   0.564
  273    HB   VAL  35           HB       VAL  35 -12.848  10.577  -1.504
  274   1HG1  VAL  35          1HG1      VAL  35 -13.794   7.763  -1.062
  275   2HG1  VAL  35          2HG1      VAL  35 -12.671   8.371  -2.278
  276   3HG1  VAL  35          3HG1      VAL  35 -12.183   8.302  -0.585
  277   1HG2  VAL  35          1HG2      VAL  35 -14.861   9.588  -2.706
  278   2HG2  VAL  35          2HG2      VAL  35 -15.659   9.607  -1.135
  279   3HG2  VAL  35          3HG2      VAL  35 -15.097  11.115  -1.855
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  14.249 -10.645   4.422
    2   2H    GLY   1          2H        GLY   1  13.375  -9.414   3.646
    3   3H    GLY   1          3H        GLY   1  14.730 -10.097   2.891
    4   1HA   GLY   1          2HA       GLY   1  13.463 -12.296   3.032
    5   2HA   GLY   1          1HA       GLY   1  12.059 -11.276   3.312
    6    H    SER   2           H        SER   2  11.673 -12.664   1.207
    7    HA   SER   2           HA       SER   2  12.850 -11.577  -1.174
    8   1HB   SER   2          1HB       SER   2  10.352 -13.069  -1.496
    9   2HB   SER   2          2HB       SER   2  11.952 -13.397  -2.166
   10    HG   SER   2           HG       SER   2  10.969 -14.913  -0.507
   11    H    THR   3           H        THR   3   9.775 -11.282   0.533
   12    HA   THR   3           HA       THR   3   9.034  -9.077  -1.270
   13    HB   THR   3           HB       THR   3   7.137 -10.147   0.777
   14    HG1  THR   3           1HG      THR   3   7.560 -11.376  -1.776
   15   1HG2  THR   3          1HG2      THR   3   6.710  -9.238  -2.069
   16   2HG2  THR   3          2HG2      THR   3   6.618  -8.175  -0.664
   17   3HG2  THR   3          3HG2      THR   3   5.475  -9.508  -0.835
   18    H    GLY   4           H        GLY   4  10.400  -7.528  -0.333
   19   1HA   GLY   4          1HA       GLY   4   9.887  -6.864   2.491
   20   2HA   GLY   4          2HA       GLY   4  11.214  -6.241   1.514
   21    H    ILE   5           H        ILE   5  10.034  -5.419  -0.709
   22    HA   ILE   5           HA       ILE   5   8.424  -3.134   0.111
   23    HB   ILE   5           HB       ILE   5   9.510  -3.987  -2.579
   24   1HG1  ILE   5          2HG1      ILE   5  10.438  -1.437  -1.747
   25   2HG1  ILE   5          1HG1      ILE   5  10.627  -2.531  -0.383
   26   1HG2  ILE   5          1HG2      ILE   5   7.265  -2.528  -2.290
   27   2HG2  ILE   5          2HG2      ILE   5   8.472  -1.245  -2.218
   28   3HG2  ILE   5          3HG2      ILE   5   8.399  -2.311  -3.622
   29   1HD1  ILE   5          1HD1      ILE   5  12.640  -2.540  -1.656
   30   2HD1  ILE   5          2HD1      ILE   5  11.834  -4.090  -1.887
   31   3HD1  ILE   5          3HD1      ILE   5  11.755  -2.861  -3.148
   32    H    LYS   6           H        LYS   6   6.263  -3.221   0.075
   33    HA   LYS   6           HA       LYS   6   4.991  -5.655  -0.739
   34   1HB   LYS   6          1HB       LYS   6   3.534  -3.165   0.124
   35   2HB   LYS   6          2HB       LYS   6   3.022  -4.841   0.270
   36   1HG   LYS   6          1HG       LYS   6   5.459  -3.920   1.719
   37   2HG   LYS   6          2HG       LYS   6   3.852  -3.566   2.358
   38   1HD   LYS   6          1HD       LYS   6   3.629  -5.643   3.110
   39   2HD   LYS   6          2HD       LYS   6   4.018  -6.311   1.521
   40   1HE   LYS   6          2HE       LYS   6   5.561  -7.054   3.301
   41   2HE   LYS   6          1HE       LYS   6   6.369  -6.195   1.994
   42   1HZ   LYS   6          1HZ       LYS   6   6.870  -4.441   3.326
   43   2HZ   LYS   6          2HZ       LYS   6   6.822  -5.649   4.521
   44   3HZ   LYS   6          3HZ       LYS   6   5.491  -4.627   4.300
   45    HA   PRO   7           HA       PRO   7   3.634  -4.391  -4.772
   46   1HB   PRO   7          1HB       PRO   7   1.489  -6.308  -4.600
   47   2HB   PRO   7          2HB       PRO   7   2.972  -6.409  -5.545
   48   1HG   PRO   7          1HG       PRO   7   2.406  -8.014  -3.397
   49   2HG   PRO   7          2HG       PRO   7   4.046  -7.638  -3.951
   50   1HD   PRO   7          1HD       PRO   7   2.506  -6.487  -1.661
   51   2HD   PRO   7          2HD       PRO   7   4.236  -6.866  -1.790
   52    H    PHE   8           H        PHE   8   1.594  -4.594  -1.972
   53    HA   PHE   8           HA       PHE   8  -0.494  -2.958  -3.202
   54   1HB   PHE   8          1HB       PHE   8  -0.323  -4.186  -0.441
   55   2HB   PHE   8          2HB       PHE   8  -1.672  -3.229  -1.031
   56    HD1  PHE   8           1HD      PHE   8  -3.241  -4.959  -0.559
   57    HD2  PHE   8           2HD      PHE   8  -0.006  -5.663  -3.224
   58    HE1  PHE   8           1HE      PHE   8  -4.330  -7.022  -1.329
   59    HE2  PHE   8           2HE      PHE   8  -1.093  -7.721  -4.009
   60    HZ   PHE   8           HZ       PHE   8  -3.258  -8.405  -3.063
   61    H    GLN   9           H        GLN   9   1.869  -1.719  -3.167
   62    HA   GLN   9           HA       GLN   9   2.331  -0.241  -0.765
   63   1HB   GLN   9          1HB       GLN   9   3.719  -0.726  -3.166
   64   2HB   GLN   9          2HB       GLN   9   3.454   1.012  -3.108
   65   1HG   GLN   9          1HG       GLN   9   4.285   0.252  -0.539
   66   2HG   GLN   9          2HG       GLN   9   5.339  -0.588  -1.674
   67   1HE2  GLN   9          1HE2      GLN   9   4.266   2.509  -0.508
   68   2HE2  GLN   9          2HE2      GLN   9   5.553   3.442  -1.204
   69    H    CYS  10           H        CYS  10   1.808   1.841  -0.297
   70    HA   CYS  10           HA       CYS  10  -0.418   2.990  -1.755
   71   1HB   CYS  10          1HB       CYS  10  -0.506   3.149   0.657
   72   2HB   CYS  10          2HB       CYS  10   1.077   3.920   0.705
   73    H    THR  11           H        THR  11  -0.177   4.333  -3.373
   74    HA   THR  11           HA       THR  11   2.438   5.255  -4.106
   75    HB   THR  11           HB       THR  11   0.214   6.258  -5.713
   76    HG1  THR  11           1HG      THR  11   0.547   3.425  -5.541
   77   1HG2  THR  11          1HG2      THR  11   1.837   4.324  -7.036
   78   2HG2  THR  11          2HG2      THR  11   2.882   5.336  -6.037
   79   3HG2  THR  11          3HG2      THR  11   1.828   6.077  -7.243
   80    H    TRP  12           H        TRP  12   0.961   6.480  -1.728
   81    HA   TRP  12           HA       TRP  12   0.568   9.226  -2.575
   82   1HB   TRP  12          1HB       TRP  12  -0.443   7.845  -0.484
   83   2HB   TRP  12          2HB       TRP  12   0.940   8.609   0.301
   84    HD1  TRP  12           HD       TRP  12   0.719  11.120   0.926
   85    HE1  TRP  12           1HE      TRP  12  -1.123  12.896   0.643
   86    HE3  TRP  12           3HE      TRP  12  -2.407   8.536  -2.178
   87    HZ2  TRP  12           2HZ      TRP  12  -3.590  13.153  -0.716
   88    HZ3  TRP  12           3HZ      TRP  12  -4.488   9.607  -2.913
   89    HH2  TRP  12           HH       TRP  12  -5.068  11.873  -2.202
   90    HA   PRO  13           HA       PRO  13   4.940   9.888  -2.689
   91   1HB   PRO  13          1HB       PRO  13   4.767  12.668  -2.788
   92   2HB   PRO  13          2HB       PRO  13   4.739  11.581  -4.177
   93   1HG   PRO  13          1HG       PRO  13   2.484  12.903  -2.753
   94   2HG   PRO  13          2HG       PRO  13   2.670  12.544  -4.478
   95   1HD   PRO  13          1HD       PRO  13   1.068  11.084  -2.889
   96   2HD   PRO  13          2HD       PRO  13   1.980  10.351  -4.225
   97    H    ASP  14           H        ASP  14   2.932  11.839  -0.517
   98    HA   ASP  14           HA       ASP  14   5.143  12.537   1.182
   99   1HB   ASP  14          1HB       ASP  14   3.503  14.164   1.284
  100   2HB   ASP  14          2HB       ASP  14   2.190  12.997   1.189
  101    H    CYS  15           H        CYS  15   2.575  10.180   1.187
  102    HA   CYS  15           HA       CYS  15   3.055   9.306   3.858
  103   1HB   CYS  15          1HB       CYS  15   0.846   9.154   3.255
  104   2HB   CYS  15          2HB       CYS  15   1.214   8.625   1.619
  105    H    ASP  16           H        ASP  16   3.080   7.432   0.833
  106    HA   ASP  16           HA       ASP  16   4.376   5.752   0.054
  107   1HB   ASP  16          1HB       ASP  16   6.184   7.544   1.126
  108   2HB   ASP  16          2HB       ASP  16   6.639   6.006   1.851
  109    H    ARG  17           H        ARG  17   2.521   4.859   1.606
  110    HA   ARG  17           HA       ARG  17   3.653   3.148   3.679
  111   1HB   ARG  17          1HB       ARG  17   1.032   4.219   3.032
  112   2HB   ARG  17          2HB       ARG  17   0.959   2.486   3.346
  113   1HG   ARG  17          1HG       ARG  17   0.556   3.774   5.357
  114   2HG   ARG  17          2HG       ARG  17   2.039   2.824   5.495
  115   1HD   ARG  17          1HD       ARG  17   3.384   4.765   5.035
  116   2HD   ARG  17          2HD       ARG  17   1.946   5.734   4.706
  117    HE   ARG  17           HE       ARG  17   2.066   4.542   7.338
  118   1HH1  ARG  17          2HH1      ARG  17   2.742   7.344   5.356
  119   2HH1  ARG  17          1HH1      ARG  17   2.832   8.447   6.701
  120   1HH2  ARG  17          2HH2      ARG  17   2.164   5.978   9.125
  121   2HH2  ARG  17          1HH2      ARG  17   2.535   7.657   8.850
  122    H    SER  18           H        SER  18   2.874   0.800   3.652
  123    HA   SER  18           HA       SER  18   2.565  -0.286   0.955
  124   1HB   SER  18          1HB       SER  18   4.470  -1.976   2.055
  125   2HB   SER  18          2HB       SER  18   4.764  -0.761   0.815
  126    HG   SER  18           HG       SER  18   5.647   0.553   2.261
  127    H    PHE  19           H        PHE  19   1.154  -1.967   0.949
  128    HA   PHE  19           HA       PHE  19   0.474  -3.109   3.587
  129   1HB   PHE  19          1HB       PHE  19  -1.305  -2.303   1.287
  130   2HB   PHE  19          2HB       PHE  19  -1.861  -3.319   2.608
  131    HD1  PHE  19           1HD      PHE  19  -2.771  -2.359   4.482
  132    HD2  PHE  19           2HD      PHE  19  -0.312  -0.004   1.935
  133    HE1  PHE  19           1HE      PHE  19  -3.328  -0.363   5.796
  134    HE2  PHE  19           2HE      PHE  19  -0.875   2.005   3.237
  135    HZ   PHE  19           HZ       PHE  19  -2.373   1.827   5.176
  136    H    SER  20           H        SER  20  -0.911  -5.091   3.338
  137    HA   SER  20           HA       SER  20  -0.116  -6.737   1.044
  138   1HB   SER  20          1HB       SER  20  -0.764  -8.352   3.354
  139   2HB   SER  20          2HB       SER  20   0.707  -8.349   2.382
  140    HG   SER  20           HG       SER  20   1.665  -7.250   3.890
  141    H    ARG  21           H        ARG  21  -2.510  -5.311   2.915
  142    HA   ARG  21           HA       ARG  21  -4.616  -7.161   2.035
  143   1HB   ARG  21          1HB       ARG  21  -4.827  -4.893   4.023
  144   2HB   ARG  21          2HB       ARG  21  -6.038  -6.121   3.694
  145   1HG   ARG  21          1HG       ARG  21  -5.069  -7.617   5.037
  146   2HG   ARG  21          2HG       ARG  21  -3.446  -7.198   4.488
  147   1HD   ARG  21          1HD       ARG  21  -4.994  -5.372   6.292
  148   2HD   ARG  21          2HD       ARG  21  -4.086  -6.732   6.941
  149    HE   ARG  21           HE       ARG  21  -3.025  -4.240   6.192
  150   1HH1  ARG  21          2HH1      ARG  21  -2.295  -7.669   5.894
  151   2HH1  ARG  21          1HH1      ARG  21  -0.581  -7.418   5.772
  152   1HH2  ARG  21          2HH2      ARG  21  -0.770  -3.918   6.082
  153   2HH2  ARG  21          1HH2      ARG  21   0.295  -5.295   5.931
  154    H    SER  22           H        SER  22  -5.809  -6.643   0.346
  155    HA   SER  22           HA       SER  22  -5.521  -4.138  -0.990
  156   1HB   SER  22          1HB       SER  22  -7.729  -5.449  -2.087
  157   2HB   SER  22          2HB       SER  22  -6.059  -5.554  -2.648
  158    HG   SER  22           HG       SER  22  -7.553  -7.342  -1.096
  159    H    ASP  23           H        ASP  23  -7.734  -5.343   1.381
  160    HA   ASP  23           HA       ASP  23  -9.714  -3.285   0.792
  161   1HB   ASP  23          1HB       ASP  23 -11.187  -4.499   2.089
  162   2HB   ASP  23          2HB       ASP  23 -10.135  -5.787   1.528
  163    H    HIS  24           H        HIS  24  -6.877  -3.486   2.396
  164    HA   HIS  24           HA       HIS  24  -7.801  -1.658   4.495
  165   1HB   HIS  24          1HB       HIS  24  -5.760  -3.689   4.471
  166   2HB   HIS  24          2HB       HIS  24  -5.100  -2.135   4.986
  167    HD1  HIS  24           1HD      HIS  24  -4.899  -3.192   7.425
  168    HD2  HIS  24           2HD      HIS  24  -8.761  -2.675   5.967
  169    HE1  HIS  24           1HE      HIS  24  -6.413  -3.456   9.415
  170    HE2  HIS  24           2HE      HIS  24  -8.751  -3.318   8.483
  171    H    LEU  25           H        LEU  25  -5.323  -1.946   2.017
  172    HA   LEU  25           HA       LEU  25  -4.379   0.729   2.311
  173   1HB   LEU  25          1HB       LEU  25  -2.780  -0.540   1.326
  174   2HB   LEU  25          2HB       LEU  25  -3.942  -1.579   0.530
  175    HG   LEU  25           HG       LEU  25  -4.291   0.694  -0.893
  176   1HD1  LEU  25          1HD1      LEU  25  -2.342   1.598   0.558
  177   2HD1  LEU  25          2HD1      LEU  25  -1.333   0.637  -0.524
  178   3HD1  LEU  25          3HD1      LEU  25  -2.359   1.912  -1.179
  179   1HD2  LEU  25          1HD2      LEU  25  -2.076  -0.710  -2.022
  180   2HD2  LEU  25          2HD2      LEU  25  -3.167  -1.868  -1.255
  181   3HD2  LEU  25          3HD2      LEU  25  -3.778  -0.762  -2.486
  182    H    ALA  26           H        ALA  26  -7.096  -0.706   0.758
  183    HA   ALA  26           HA       ALA  26  -7.532   1.420  -1.146
  184   1HB   ALA  26          1HB       ALA  26  -8.559  -1.088  -0.891
  185   2HB   ALA  26          2HB       ALA  26  -9.874  -0.102  -0.252
  186   3HB   ALA  26          3HB       ALA  26  -9.262   0.192  -1.879
  187    H    LEU  27           H        LEU  27  -8.637   0.583   2.109
  188    HA   LEU  27           HA       LEU  27 -10.405   2.822   2.348
  189   1HB   LEU  27          1HB       LEU  27  -9.166   1.069   4.472
  190   2HB   LEU  27          2HB       LEU  27 -10.430   2.247   4.759
  191    HG   LEU  27           HG       LEU  27 -10.599  -0.419   3.420
  192   1HD1  LEU  27          1HD1      LEU  27 -11.162  -0.197   5.782
  193   2HD1  LEU  27          2HD1      LEU  27 -12.351   1.044   5.385
  194   3HD1  LEU  27          3HD1      LEU  27 -12.581  -0.610   4.819
  195   1HD2  LEU  27          1HD2      LEU  27 -12.556   0.083   2.255
  196   2HD2  LEU  27          2HD2      LEU  27 -12.778   1.616   3.098
  197   3HD2  LEU  27          3HD2      LEU  27 -11.500   1.449   1.895
  198    H    HIS  28           H        HIS  28  -7.140   2.056   3.408
  199    HA   HIS  28           HA       HIS  28  -6.581   4.398   4.823
  200   1HB   HIS  28          1HB       HIS  28  -5.033   2.706   5.140
  201   2HB   HIS  28          2HB       HIS  28  -4.960   2.315   3.432
  202    HD1  HIS  28           1HD      HIS  28  -3.293   4.351   6.044
  203    HD2  HIS  28           2HD      HIS  28  -3.243   3.959   1.911
  204    HE1  HIS  28           1HE      HIS  28  -1.234   5.564   5.222
  205    H    ARG  29           H        ARG  29  -6.384   3.662   1.378
  206    HA   ARG  29           HA       ARG  29  -5.150   6.156   0.700
  207   1HB   ARG  29          1HB       ARG  29  -6.246   3.828  -0.805
  208   2HB   ARG  29          2HB       ARG  29  -6.009   5.348  -1.670
  209   1HG   ARG  29          1HG       ARG  29  -3.637   5.167  -0.434
  210   2HG   ARG  29          2HG       ARG  29  -4.026   3.452  -0.578
  211   1HD   ARG  29          1HD       ARG  29  -3.106   3.652  -2.614
  212   2HD   ARG  29          2HD       ARG  29  -4.671   4.334  -3.054
  213    HE   ARG  29           HE       ARG  29  -2.717   6.242  -2.082
  214   1HH1  ARG  29          2HH1      ARG  29  -4.168   4.677  -4.856
  215   2HH1  ARG  29          1HH1      ARG  29  -3.602   5.874  -5.982
  216   1HH2  ARG  29          2HH2      ARG  29  -1.974   7.826  -3.585
  217   2HH2  ARG  29          1HH2      ARG  29  -2.374   7.655  -5.265
  218    H    LYS  30           H        LYS  30  -8.425   4.988   0.979
  219    HA   LYS  30           HA       LYS  30  -9.658   7.191  -0.372
  220   1HB   LYS  30          1HB       LYS  30 -10.515   4.805   0.992
  221   2HB   LYS  30          2HB       LYS  30 -11.442   6.185   1.562
  222   1HG   LYS  30          1HG       LYS  30 -12.750   5.675  -0.194
  223   2HG   LYS  30          2HG       LYS  30 -11.559   6.631  -1.079
  224   1HD   LYS  30          1HD       LYS  30 -11.449   4.801  -2.389
  225   2HD   LYS  30          2HD       LYS  30 -10.368   4.209  -1.127
  226   1HE   LYS  30          2HE       LYS  30 -11.800   2.439  -1.228
  227   2HE   LYS  30          1HE       LYS  30 -12.665   3.428  -0.052
  228   1HZ   LYS  30          1HZ       LYS  30 -13.741   4.384  -2.239
  229   2HZ   LYS  30          2HZ       LYS  30 -14.340   2.977  -1.501
  230   3HZ   LYS  30          3HZ       LYS  30 -13.318   2.860  -2.849
  231    H    ARG  31           H        ARG  31  -8.559   6.507   2.860
  232    HA   ARG  31           HA       ARG  31  -9.748   8.805   4.083
  233   1HB   ARG  31          1HB       ARG  31  -7.972   6.603   4.899
  234   2HB   ARG  31          2HB       ARG  31  -7.718   8.117   5.758
  235   1HG   ARG  31          1HG       ARG  31 -10.491   7.081   5.458
  236   2HG   ARG  31          2HG       ARG  31  -9.415   6.345   6.648
  237   1HD   ARG  31          1HD       ARG  31  -9.710   9.317   6.531
  238   2HD   ARG  31          2HD       ARG  31 -10.940   8.343   7.334
  239    HE   ARG  31           HE       ARG  31  -8.091   8.214   8.094
  240   1HH1  ARG  31          2HH1      ARG  31 -11.481   8.607   8.918
  241   2HH1  ARG  31          1HH1      ARG  31 -11.199   8.538  10.634
  242   1HH2  ARG  31          2HH2      ARG  31  -7.719   8.112  10.348
  243   2HH2  ARG  31          1HH2      ARG  31  -9.058   8.282  11.448
  244    H    HIS  32           H        HIS  32  -7.272   8.524   1.906
  245    HA   HIS  32           HA       HIS  32  -5.566  10.630   2.934
  246   1HB   HIS  32          1HB       HIS  32  -5.645   8.877   0.534
  247   2HB   HIS  32          2HB       HIS  32  -4.851  10.427   0.369
  248    HD1  HIS  32           1HD      HIS  32  -3.142  10.665   2.850
  249    HD2  HIS  32           2HD      HIS  32  -3.759   7.083   0.822
  250    HE1  HIS  32           1HE      HIS  32  -1.158   9.174   3.386
  251    H    MET  33           H        MET  33  -7.743  10.116   0.189
  252    HA   MET  33           HA       MET  33  -7.774  12.850  -0.598
  253   1HB   MET  33          1HB       MET  33  -9.866  12.019  -1.919
  254   2HB   MET  33          2HB       MET  33  -8.265  11.455  -2.376
  255   1HG   MET  33          1HG       MET  33  -8.610   9.376  -1.265
  256   2HG   MET  33          2HG       MET  33 -10.125   9.941  -0.570
  257   1HE   MET  33          1HE       MET  33 -10.265   6.991  -3.073
  258   2HE   MET  33          2HE       MET  33  -9.047   7.788  -4.069
  259   3HE   MET  33          3HE       MET  33  -8.808   7.647  -2.327
  260    H    LEU  34           H        LEU  34  -9.633  10.886   1.562
  261    HA   LEU  34           HA       LEU  34 -11.332  11.278   2.989
  262   1HB   LEU  34          1HB       LEU  34  -9.934  13.917   2.856
  263   2HB   LEU  34          2HB       LEU  34 -11.388  13.742   3.824
  264    HG   LEU  34           HG       LEU  34  -9.281  11.710   4.225
  265   1HD1  LEU  34          1HD1      LEU  34  -7.692  13.313   4.375
  266   2HD1  LEU  34          2HD1      LEU  34  -8.859  14.604   4.656
  267   3HD1  LEU  34          3HD1      LEU  34  -8.393  13.532   5.977
  268   1HD2  LEU  34          1HD2      LEU  34 -11.372  13.104   5.825
  269   2HD2  LEU  34          2HD2      LEU  34 -11.036  11.380   5.660
  270   3HD2  LEU  34          3HD2      LEU  34  -9.990  12.392   6.658
  271    H    VAL  35           H        VAL  35 -12.440  10.900   0.793
  272    HA   VAL  35           HA       VAL  35 -14.726  12.623   0.755
  273    HB   VAL  35           HB       VAL  35 -13.018  13.752  -0.785
  274   1HG1  VAL  35          1HG1      VAL  35 -13.604  12.355  -3.149
  275   2HG1  VAL  35          2HG1      VAL  35 -12.038  12.530  -2.355
  276   3HG1  VAL  35          3HG1      VAL  35 -13.069  11.148  -1.980
  277   1HG2  VAL  35          1HG2      VAL  35 -14.760  14.214  -2.523
  278   2HG2  VAL  35          2HG2      VAL  35 -15.747  12.956  -1.778
  279   3HG2  VAL  35          3HG2      VAL  35 -15.312  14.397  -0.857
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  16.766 -12.442   2.861
    2   2H    GLY   1          2H        GLY   1  16.602 -14.122   3.018
    3   3H    GLY   1          3H        GLY   1  15.878 -13.089   4.150
    4   1HA   GLY   1          2HA       GLY   1  14.893 -13.996   1.632
    5   2HA   GLY   1          1HA       GLY   1  14.026 -13.236   2.964
    6    H    SER   2           H        SER   2  14.162 -12.852  -0.087
    7    HA   SER   2           HA       SER   2  14.994 -10.052  -0.195
    8   1HB   SER   2          1HB       SER   2  13.886 -11.301  -2.625
    9   2HB   SER   2          2HB       SER   2  15.379 -10.382  -2.404
   10    HG   SER   2           HG       SER   2  16.011 -12.444  -1.176
   11    H    THR   3           H        THR   3  12.198 -11.947   0.179
   12    HA   THR   3           HA       THR   3  10.312 -10.124  -0.968
   13    HB   THR   3           HB       THR   3   9.645 -12.110   1.187
   14    HG1  THR   3           1HG      THR   3  10.285 -12.601  -1.553
   15   1HG2  THR   3          1HG2      THR   3   7.948 -10.500   0.178
   16   2HG2  THR   3          2HG2      THR   3   7.528 -12.213   0.148
   17   3HG2  THR   3          3HG2      THR   3   8.118 -11.424  -1.315
   18    H    GLY   4           H        GLY   4  10.557  -8.110  -0.154
   19   1HA   GLY   4          1HA       GLY   4   9.852  -7.746   2.685
   20   2HA   GLY   4          2HA       GLY   4  11.272  -6.944   2.030
   21    H    ILE   5           H        ILE   5   9.961  -6.460  -0.573
   22    HA   ILE   5           HA       ILE   5   8.605  -4.017   0.173
   23    HB   ILE   5           HB       ILE   5   9.178  -5.084  -2.596
   24   1HG1  ILE   5          2HG1      ILE   5  10.831  -2.869  -1.644
   25   2HG1  ILE   5          1HG1      ILE   5  11.048  -4.337  -0.694
   26   1HG2  ILE   5          1HG2      ILE   5   7.506  -3.412  -2.723
   27   2HG2  ILE   5          2HG2      ILE   5   8.344  -2.387  -1.558
   28   3HG2  ILE   5          3HG2      ILE   5   9.021  -2.628  -3.169
   29   1HD1  ILE   5          1HD1      ILE   5  11.827  -5.542  -2.517
   30   2HD1  ILE   5          2HD1      ILE   5  11.160  -4.397  -3.682
   31   3HD1  ILE   5          3HD1      ILE   5  12.564  -3.952  -2.712
   32    H    LYS   6           H        LYS   6   6.485  -3.726   0.164
   33    HA   LYS   6           HA       LYS   6   4.756  -5.970  -0.348
   34   1HB   LYS   6          1HB       LYS   6   3.884  -3.152   0.311
   35   2HB   LYS   6          2HB       LYS   6   3.021  -4.661   0.611
   36   1HG   LYS   6          1HG       LYS   6   5.599  -4.674   1.908
   37   2HG   LYS   6          2HG       LYS   6   4.636  -3.278   2.396
   38   1HD   LYS   6          1HD       LYS   6   3.437  -4.573   3.735
   39   2HD   LYS   6          2HD       LYS   6   2.926  -5.536   2.348
   40   1HE   LYS   6          2HE       LYS   6   5.563  -6.315   2.937
   41   2HE   LYS   6          1HE       LYS   6   4.715  -6.226   4.482
   42   1HZ   LYS   6          1HZ       LYS   6   2.900  -7.534   3.196
   43   2HZ   LYS   6          2HZ       LYS   6   4.253  -8.356   3.805
   44   3HZ   LYS   6          3HZ       LYS   6   4.177  -7.952   2.161
   45    HA   PRO   7           HA       PRO   7   3.747  -4.885  -4.500
   46   1HB   PRO   7          1HB       PRO   7   1.509  -6.398  -4.794
   47   2HB   PRO   7          2HB       PRO   7   3.136  -7.083  -4.776
   48   1HG   PRO   7          1HG       PRO   7   1.063  -7.048  -2.641
   49   2HG   PRO   7          2HG       PRO   7   2.266  -8.291  -3.022
   50   1HD   PRO   7          1HD       PRO   7   2.469  -6.448  -0.961
   51   2HD   PRO   7          2HD       PRO   7   3.831  -7.339  -1.671
   52    H    PHE   8           H        PHE   8   1.344  -4.707  -1.958
   53    HA   PHE   8           HA       PHE   8  -0.326  -2.866  -3.462
   54   1HB   PHE   8          1HB       PHE   8  -0.558  -3.924  -0.634
   55   2HB   PHE   8          2HB       PHE   8  -1.750  -2.901  -1.425
   56    HD1  PHE   8           1HD      PHE   8  -3.153  -4.889  -0.541
   57    HD2  PHE   8           2HD      PHE   8  -0.411  -5.189  -3.779
   58    HE1  PHE   8           1HE      PHE   8  -4.310  -6.910  -1.329
   59    HE2  PHE   8           2HE      PHE   8  -1.569  -7.203  -4.579
   60    HZ   PHE   8           HZ       PHE   8  -3.521  -8.069  -3.355
   61    H    GLN   9           H        GLN   9   1.998  -1.691  -3.364
   62    HA   GLN   9           HA       GLN   9   2.492  -0.219  -0.968
   63   1HB   GLN   9          1HB       GLN   9   4.473  -0.284  -2.051
   64   2HB   GLN   9          2HB       GLN   9   3.713  -0.476  -3.621
   65   1HG   GLN   9          1HG       GLN   9   4.417   1.582  -4.064
   66   2HG   GLN   9          2HG       GLN   9   3.158   2.140  -2.969
   67   1HE2  GLN   9          1HE2      GLN   9   4.181   3.887  -2.169
   68   2HE2  GLN   9          2HE2      GLN   9   5.652   3.833  -1.253
   69    H    CYS  10           H        CYS  10   1.812   1.729  -0.392
   70    HA   CYS  10           HA       CYS  10  -0.389   2.914  -1.805
   71   1HB   CYS  10          1HB       CYS  10  -0.397   3.009   0.618
   72   2HB   CYS  10          2HB       CYS  10   1.157   3.835   0.629
   73    H    THR  11           H        THR  11  -0.225   4.282  -3.419
   74    HA   THR  11           HA       THR  11   2.350   5.275  -4.217
   75    HB   THR  11           HB       THR  11  -0.019   6.176  -5.720
   76    HG1  THR  11           1HG      THR  11   0.531   3.433  -5.225
   77   1HG2  THR  11          1HG2      THR  11   1.568   4.692  -7.383
   78   2HG2  THR  11          2HG2      THR  11   2.727   5.273  -6.187
   79   3HG2  THR  11          3HG2      THR  11   1.743   6.423  -7.095
   80    H    TRP  12           H        TRP  12   1.224   6.405  -1.769
   81    HA   TRP  12           HA       TRP  12   0.634   9.164  -2.570
   82   1HB   TRP  12          1HB       TRP  12  -0.427   7.730  -0.550
   83   2HB   TRP  12          2HB       TRP  12   0.933   8.464   0.299
   84    HD1  TRP  12           HD       TRP  12   0.661  10.920   1.056
   85    HE1  TRP  12           1HE      TRP  12  -1.161  12.717   0.754
   86    HE3  TRP  12           3HE      TRP  12  -2.277   8.513  -2.353
   87    HZ2  TRP  12           2HZ      TRP  12  -3.545  13.050  -0.733
   88    HZ3  TRP  12           3HZ      TRP  12  -4.316   9.622  -3.150
   89    HH2  TRP  12           HH       TRP  12  -4.935  11.849  -2.364
   90    HA   PRO  13           HA       PRO  13   4.985  10.021  -2.317
   91   1HB   PRO  13          1HB       PRO  13   4.169  12.853  -2.371
   92   2HB   PRO  13          2HB       PRO  13   5.154  11.947  -3.522
   93   1HG   PRO  13          1HG       PRO  13   2.656  12.720  -4.124
   94   2HG   PRO  13          2HG       PRO  13   3.316  11.176  -4.696
   95   1HD   PRO  13          1HD       PRO  13   1.442  11.708  -2.418
   96   2HD   PRO  13          2HD       PRO  13   1.407  10.402  -3.621
   97    H    ASP  14           H        ASP  14   2.699  11.887  -0.373
   98    HA   ASP  14           HA       ASP  14   4.688  12.735   1.521
   99   1HB   ASP  14          1HB       ASP  14   2.709  14.108   0.992
  100   2HB   ASP  14          2HB       ASP  14   1.663  12.854   1.644
  101    H    CYS  15           H        CYS  15   2.716   9.991   1.107
  102    HA   CYS  15           HA       CYS  15   2.893   9.222   3.911
  103   1HB   CYS  15          1HB       CYS  15   0.710   9.014   3.155
  104   2HB   CYS  15          2HB       CYS  15   1.204   8.429   1.576
  105    H    ASP  16           H        ASP  16   3.074   7.408   0.860
  106    HA   ASP  16           HA       ASP  16   4.491   5.843   0.057
  107   1HB   ASP  16          1HB       ASP  16   6.200   7.603   0.671
  108   2HB   ASP  16          2HB       ASP  16   6.491   6.656   2.119
  109    H    ARG  17           H        ARG  17   2.634   4.802   1.495
  110    HA   ARG  17           HA       ARG  17   3.793   3.053   3.533
  111   1HB   ARG  17          1HB       ARG  17   1.105   4.053   2.888
  112   2HB   ARG  17          2HB       ARG  17   1.137   2.347   3.326
  113   1HG   ARG  17          1HG       ARG  17   0.758   4.076   5.173
  114   2HG   ARG  17          2HG       ARG  17   1.922   2.784   5.466
  115   1HD   ARG  17          1HD       ARG  17   3.342   4.876   4.241
  116   2HD   ARG  17          2HD       ARG  17   2.317   5.624   5.467
  117    HE   ARG  17           HE       ARG  17   3.471   3.460   6.715
  118   1HH1  ARG  17          2HH1      ARG  17   4.656   6.322   5.076
  119   2HH1  ARG  17          1HH1      ARG  17   6.090   6.445   6.053
  120   1HH2  ARG  17          2HH2      ARG  17   5.343   3.594   7.989
  121   2HH2  ARG  17          1HH2      ARG  17   6.492   4.880   7.716
  122    H    SER  18           H        SER  18   2.910   0.711   3.415
  123    HA   SER  18           HA       SER  18   2.597  -0.269   0.698
  124   1HB   SER  18          1HB       SER  18   4.578  -1.958   1.767
  125   2HB   SER  18          2HB       SER  18   4.762  -0.820   0.434
  126    HG   SER  18           HG       SER  18   5.635   0.646   1.770
  127    H    PHE  19           H        PHE  19   1.148  -1.856   0.696
  128    HA   PHE  19           HA       PHE  19   0.540  -3.120   3.287
  129   1HB   PHE  19          1HB       PHE  19  -1.225  -2.145   1.050
  130   2HB   PHE  19          2HB       PHE  19  -1.813  -3.270   2.270
  131    HD1  PHE  19           1HD      PHE  19  -0.441   0.104   1.744
  132    HD2  PHE  19           2HD      PHE  19  -2.450  -2.538   4.392
  133    HE1  PHE  19           1HE      PHE  19  -0.912   1.989   3.238
  134    HE2  PHE  19           2HE      PHE  19  -2.915  -0.677   5.919
  135    HZ   PHE  19           HZ       PHE  19  -2.140   1.611   5.336
  136    H    SER  20           H        SER  20  -0.830  -5.067   3.087
  137    HA   SER  20           HA       SER  20  -0.192  -6.724   0.750
  138   1HB   SER  20          1HB       SER  20  -0.622  -8.015   3.418
  139   2HB   SER  20          2HB       SER  20   0.323  -8.579   2.042
  140    HG   SER  20           HG       SER  20   1.004  -6.615   3.972
  141    H    ARG  21           H        ARG  21  -2.420  -5.297   2.821
  142    HA   ARG  21           HA       ARG  21  -4.602  -7.085   2.023
  143   1HB   ARG  21          1HB       ARG  21  -4.822  -4.799   3.971
  144   2HB   ARG  21          2HB       ARG  21  -5.874  -6.197   3.807
  145   1HG   ARG  21          1HG       ARG  21  -4.357  -7.616   4.856
  146   2HG   ARG  21          2HG       ARG  21  -3.012  -6.501   4.625
  147   1HD   ARG  21          1HD       ARG  21  -4.994  -5.137   6.108
  148   2HD   ARG  21          2HD       ARG  21  -4.794  -6.729   6.835
  149    HE   ARG  21           HE       ARG  21  -2.874  -4.558   6.809
  150   1HH1  ARG  21          2HH1      ARG  21  -3.359  -8.026   7.220
  151   2HH1  ARG  21          1HH1      ARG  21  -1.905  -8.247   8.155
  152   1HH2  ARG  21          2HH2      ARG  21  -0.948  -4.874   8.049
  153   2HH2  ARG  21          1HH2      ARG  21  -0.535  -6.473   8.593
  154    H    SER  22           H        SER  22  -5.902  -6.511   0.425
  155    HA   SER  22           HA       SER  22  -5.550  -4.020  -0.926
  156   1HB   SER  22          1HB       SER  22  -7.806  -5.123  -2.034
  157   2HB   SER  22          2HB       SER  22  -6.153  -5.479  -2.537
  158    HG   SER  22           HG       SER  22  -6.169  -7.281  -1.158
  159    H    ASP  23           H        ASP  23  -7.825  -5.219   1.417
  160    HA   ASP  23           HA       ASP  23  -9.754  -3.092   0.958
  161   1HB   ASP  23          1HB       ASP  23 -10.830  -5.039   1.652
  162   2HB   ASP  23          2HB       ASP  23  -9.556  -5.458   2.785
  163    H    HIS  24           H        HIS  24  -6.903  -3.608   2.708
  164    HA   HIS  24           HA       HIS  24  -7.575  -1.585   4.683
  165   1HB   HIS  24          1HB       HIS  24  -5.617  -3.682   4.553
  166   2HB   HIS  24          2HB       HIS  24  -4.845  -2.139   4.935
  167    HD1  HIS  24           1HD      HIS  24  -4.449  -3.088   7.393
  168    HD2  HIS  24           2HD      HIS  24  -8.415  -2.491   6.284
  169    HE1  HIS  24           1HE      HIS  24  -5.782  -3.240   9.524
  170    HE2  HIS  24           2HE      HIS  24  -8.180  -2.860   8.839
  171    H    LEU  25           H        LEU  25  -5.309  -1.968   2.003
  172    HA   LEU  25           HA       LEU  25  -4.339   0.718   2.204
  173   1HB   LEU  25          1HB       LEU  25  -2.791  -0.640   1.198
  174   2HB   LEU  25          2HB       LEU  25  -4.006  -1.602   0.382
  175    HG   LEU  25           HG       LEU  25  -4.292   0.737  -0.941
  176   1HD1  LEU  25          1HD1      LEU  25  -1.356   0.640  -0.872
  177   2HD1  LEU  25          2HD1      LEU  25  -2.446   2.017  -1.024
  178   3HD1  LEU  25          3HD1      LEU  25  -2.131   1.311   0.562
  179   1HD2  LEU  25          1HD2      LEU  25  -2.163  -0.664  -2.197
  180   2HD2  LEU  25          2HD2      LEU  25  -3.226  -1.842  -1.425
  181   3HD2  LEU  25          3HD2      LEU  25  -3.883  -0.686  -2.585
  182    H    ALA  26           H        ALA  26  -7.174  -0.701   0.974
  183    HA   ALA  26           HA       ALA  26  -7.713   1.340  -1.013
  184   1HB   ALA  26          1HB       ALA  26  -9.542   0.145  -1.555
  185   2HB   ALA  26          2HB       ALA  26  -8.770  -1.128  -0.610
  186   3HB   ALA  26          3HB       ALA  26 -10.003  -0.108   0.129
  187    H    LEU  27           H        LEU  27  -8.845   0.590   2.287
  188    HA   LEU  27           HA       LEU  27 -10.407   2.979   2.452
  189   1HB   LEU  27          1HB       LEU  27 -10.987   2.339   4.618
  190   2HB   LEU  27          2HB       LEU  27 -10.784   0.827   3.762
  191    HG   LEU  27           HG       LEU  27  -8.316   1.077   4.844
  192   1HD1  LEU  27          1HD1      LEU  27  -9.855   1.859   7.217
  193   2HD1  LEU  27          2HD1      LEU  27  -8.210   2.278   6.739
  194   3HD1  LEU  27          3HD1      LEU  27  -9.577   3.160   6.058
  195   1HD2  LEU  27          1HD2      LEU  27  -9.683  -0.894   4.989
  196   2HD2  LEU  27          2HD2      LEU  27  -9.132  -0.457   6.606
  197   3HD2  LEU  27          3HD2      LEU  27 -10.786  -0.096   6.109
  198    H    HIS  28           H        HIS  28  -7.186   2.031   3.381
  199    HA   HIS  28           HA       HIS  28  -6.500   4.309   4.893
  200   1HB   HIS  28          1HB       HIS  28  -5.028   2.522   5.129
  201   2HB   HIS  28          2HB       HIS  28  -4.991   2.203   3.404
  202    HD1  HIS  28           1HD      HIS  28  -3.344   4.268   6.055
  203    HD2  HIS  28           2HD      HIS  28  -3.158   3.709   1.945
  204    HE1  HIS  28           1HE      HIS  28  -1.249   5.428   5.254
  205    H    ARG  29           H        ARG  29  -6.496   3.590   1.466
  206    HA   ARG  29           HA       ARG  29  -5.170   6.031   0.729
  207   1HB   ARG  29          1HB       ARG  29  -6.318   3.685  -0.696
  208   2HB   ARG  29          2HB       ARG  29  -6.142   5.190  -1.602
  209   1HG   ARG  29          1HG       ARG  29  -3.712   5.029  -0.411
  210   2HG   ARG  29          2HG       ARG  29  -4.096   3.322  -0.636
  211   1HD   ARG  29          1HD       ARG  29  -3.314   3.591  -2.709
  212   2HD   ARG  29          2HD       ARG  29  -4.839   4.418  -3.030
  213    HE   ARG  29           HE       ARG  29  -2.894   6.209  -1.965
  214   1HH1  ARG  29          2HH1      ARG  29  -3.893   4.605  -4.903
  215   2HH1  ARG  29          1HH1      ARG  29  -3.098   5.748  -5.948
  216   1HH2  ARG  29          2HH2      ARG  29  -1.865   7.719  -3.329
  217   2HH2  ARG  29          1HH2      ARG  29  -1.990   7.557  -5.052
  218    H    LYS  30           H        LYS  30  -8.470   4.933   1.028
  219    HA   LYS  30           HA       LYS  30  -9.686   7.039  -0.419
  220   1HB   LYS  30          1HB       LYS  30 -10.530   4.777   1.104
  221   2HB   LYS  30          2HB       LYS  30 -11.416   6.186   1.668
  222   1HG   LYS  30          1HG       LYS  30 -12.813   5.638  -0.003
  223   2HG   LYS  30          2HG       LYS  30 -11.649   6.533  -0.984
  224   1HD   LYS  30          1HD       LYS  30 -11.063   4.697  -2.105
  225   2HD   LYS  30          2HD       LYS  30 -10.829   3.782  -0.615
  226   1HE   LYS  30          2HE       LYS  30 -13.471   3.785  -0.624
  227   2HE   LYS  30          1HE       LYS  30 -13.230   4.021  -2.354
  228   1HZ   LYS  30          1HZ       LYS  30 -11.698   2.026  -2.220
  229   2HZ   LYS  30          2HZ       LYS  30 -13.358   1.721  -2.048
  230   3HZ   LYS  30          3HZ       LYS  30 -12.357   1.739  -0.681
  231    H    ARG  31           H        ARG  31  -8.645   6.661   2.901
  232    HA   ARG  31           HA       ARG  31  -9.850   9.014   3.926
  233   1HB   ARG  31          1HB       ARG  31  -7.903   7.010   4.851
  234   2HB   ARG  31          2HB       ARG  31  -7.701   8.608   5.552
  235   1HG   ARG  31          1HG       ARG  31 -10.385   7.293   5.507
  236   2HG   ARG  31          2HG       ARG  31  -9.200   6.902   6.755
  237   1HD   ARG  31          1HD       ARG  31  -9.938   8.672   7.876
  238   2HD   ARG  31          2HD       ARG  31  -9.192   9.676   6.632
  239    HE   ARG  31           HE       ARG  31 -11.920   8.716   6.181
  240   1HH1  ARG  31          2HH1      ARG  31  -9.755  11.367   6.974
  241   2HH1  ARG  31          1HH1      ARG  31 -10.955  12.591   6.677
  242   1HH2  ARG  31          2HH2      ARG  31 -13.491  10.351   5.808
  243   2HH2  ARG  31          1HH2      ARG  31 -13.058  12.019   6.053
  244    H    HIS  32           H        HIS  32  -6.994   8.415   2.082
  245    HA   HIS  32           HA       HIS  32  -5.434  10.660   2.745
  246   1HB   HIS  32          1HB       HIS  32  -5.618   8.744   0.473
  247   2HB   HIS  32          2HB       HIS  32  -4.730  10.231   0.210
  248    HD1  HIS  32           1HD      HIS  32  -3.102  10.519   2.760
  249    HD2  HIS  32           2HD      HIS  32  -3.746   6.901   0.810
  250    HE1  HIS  32           1HE      HIS  32  -1.228   8.967   3.479
  251    H    MET  33           H        MET  33  -8.153  10.194   0.605
  252    HA   MET  33           HA       MET  33  -7.760  12.648  -0.832
  253   1HB   MET  33          1HB       MET  33 -10.387  11.243  -0.873
  254   2HB   MET  33          2HB       MET  33  -9.487  11.977  -2.192
  255   1HG   MET  33          1HG       MET  33  -7.857  10.076  -2.004
  256   2HG   MET  33          2HG       MET  33  -8.989   9.316  -0.889
  257   1HE   MET  33          1HE       MET  33 -12.070   9.862  -2.652
  258   2HE   MET  33          2HE       MET  33 -11.838   8.118  -2.761
  259   3HE   MET  33          3HE       MET  33 -11.321   8.987  -1.317
  260    H    LEU  34           H        LEU  34  -9.063  11.874   2.161
  261    HA   LEU  34           HA       LEU  34 -10.648  14.353   2.176
  262   1HB   LEU  34          1HB       LEU  34 -11.177  11.930   3.890
  263   2HB   LEU  34          2HB       LEU  34 -12.181  13.360   3.733
  264    HG   LEU  34           HG       LEU  34 -11.677  11.893   1.227
  265   1HD1  LEU  34          1HD1      LEU  34 -13.545  10.282   1.848
  266   2HD1  LEU  34          2HD1      LEU  34 -11.942   9.950   2.505
  267   3HD1  LEU  34          3HD1      LEU  34 -13.178  10.687   3.524
  268   1HD2  LEU  34          1HD2      LEU  34 -14.286  12.773   2.415
  269   2HD2  LEU  34          2HD2      LEU  34 -13.192  13.907   1.624
  270   3HD2  LEU  34          3HD2      LEU  34 -13.865  12.552   0.718
  271    H    VAL  35           H        VAL  35  -7.876  14.084   2.722
  272    HA   VAL  35           HA       VAL  35  -7.828  15.400   5.282
  273    HB   VAL  35           HB       VAL  35  -7.495  12.857   5.673
  274   1HG1  VAL  35          1HG1      VAL  35  -5.391  11.904   5.278
  275   2HG1  VAL  35          2HG1      VAL  35  -5.802  12.722   3.769
  276   3HG1  VAL  35          3HG1      VAL  35  -4.660  13.462   4.891
  277   1HG2  VAL  35          1HG2      VAL  35  -5.721  13.335   7.394
  278   2HG2  VAL  35          2HG2      VAL  35  -5.639  14.969   6.736
  279   3HG2  VAL  35          3HG2      VAL  35  -7.141  14.380   7.447
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  16.379  -2.014   3.301
    2   2H    GLY   1          2H        GLY   1  14.971  -2.237   4.220
    3   3H    GLY   1          3H        GLY   1  14.863  -2.010   2.542
    4   1HA   GLY   1          2HA       GLY   1  16.568  -4.184   3.031
    5   2HA   GLY   1          1HA       GLY   1  15.082  -4.410   3.943
    6    H    SER   2           H        SER   2  15.503  -6.205   2.042
    7    HA   SER   2           HA       SER   2  14.329  -5.385  -0.469
    8   1HB   SER   2          1HB       SER   2  14.756  -8.249   0.300
    9   2HB   SER   2          2HB       SER   2  14.963  -7.469  -1.269
   10    HG   SER   2           HG       SER   2  16.831  -6.457  -0.472
   11    H    THR   3           H        THR   3  13.181  -6.380   2.543
   12    HA   THR   3           HA       THR   3  10.635  -7.313   1.401
   13    HB   THR   3           HB       THR   3  11.102  -7.431   4.333
   14    HG1  THR   3           1HG      THR   3  12.451  -9.102   2.440
   15   1HG2  THR   3          1HG2      THR   3   9.042  -8.301   3.459
   16   2HG2  THR   3          2HG2      THR   3  10.030  -9.664   3.984
   17   3HG2  THR   3          3HG2      THR   3   9.901  -9.276   2.269
   18    H    GLY   4           H        GLY   4  11.164  -4.594   1.191
   19   1HA   GLY   4          1HA       GLY   4   9.476  -3.429   3.324
   20   2HA   GLY   4          2HA       GLY   4  10.688  -2.532   2.412
   21    H    ILE   5           H        ILE   5  10.096  -3.441  -0.154
   22    HA   ILE   5           HA       ILE   5   7.789  -1.821  -0.711
   23    HB   ILE   5           HB       ILE   5   9.620  -3.365  -2.548
   24   1HG1  ILE   5          2HG1      ILE   5  10.753  -1.519  -1.506
   25   2HG1  ILE   5          1HG1      ILE   5  10.378  -1.055  -3.161
   26   1HG2  ILE   5          1HG2      ILE   5   7.648  -1.273  -3.423
   27   2HG2  ILE   5          2HG2      ILE   5   8.543  -2.428  -4.410
   28   3HG2  ILE   5          3HG2      ILE   5   7.227  -2.985  -3.377
   29   1HD1  ILE   5          1HD1      ILE   5   9.771   0.843  -2.071
   30   2HD1  ILE   5          2HD1      ILE   5   8.237  -0.028  -2.011
   31   3HD1  ILE   5          3HD1      ILE   5   9.299  -0.018  -0.606
   32    H    LYS   6           H        LYS   6   5.954  -2.723  -0.129
   33    HA   LYS   6           HA       LYS   6   5.315  -5.497  -0.596
   34   1HB   LYS   6          1HB       LYS   6   3.621  -3.173   0.350
   35   2HB   LYS   6          2HB       LYS   6   3.111  -4.858   0.334
   36   1HG   LYS   6          1HG       LYS   6   5.605  -4.607   1.726
   37   2HG   LYS   6          2HG       LYS   6   4.420  -3.482   2.391
   38   1HD   LYS   6          1HD       LYS   6   3.145  -5.987   1.921
   39   2HD   LYS   6          2HD       LYS   6   4.637  -6.274   2.818
   40   1HE   LYS   6          2HE       LYS   6   2.673  -4.150   3.625
   41   2HE   LYS   6          1HE       LYS   6   2.512  -5.821   4.162
   42   1HZ   LYS   6          1HZ       LYS   6   4.443  -3.793   4.953
   43   2HZ   LYS   6          2HZ       LYS   6   5.048  -5.370   4.791
   44   3HZ   LYS   6          3HZ       LYS   6   3.761  -5.059   5.854
   45    HA   PRO   7           HA       PRO   7   3.545  -4.968  -4.601
   46   1HB   PRO   7          1HB       PRO   7   1.543  -6.793  -4.617
   47   2HB   PRO   7          2HB       PRO   7   3.249  -7.250  -4.659
   48   1HG   PRO   7          1HG       PRO   7   1.329  -7.284  -2.382
   49   2HG   PRO   7          2HG       PRO   7   2.635  -8.417  -2.767
   50   1HD   PRO   7          1HD       PRO   7   2.787  -6.423  -0.863
   51   2HD   PRO   7          2HD       PRO   7   4.190  -7.175  -1.654
   52    H    PHE   8           H        PHE   8   1.599  -4.592  -1.800
   53    HA   PHE   8           HA       PHE   8  -0.426  -3.078  -3.295
   54   1HB   PHE   8          1HB       PHE   8  -0.497  -4.172  -0.476
   55   2HB   PHE   8          2HB       PHE   8  -1.786  -3.232  -1.218
   56    HD1  PHE   8           1HD      PHE   8  -0.026  -5.735  -3.224
   57    HD2  PHE   8           2HD      PHE   8  -3.352  -5.000  -0.685
   58    HE1  PHE   8           1HE      PHE   8  -1.041  -7.840  -3.954
   59    HE2  PHE   8           2HE      PHE   8  -4.378  -7.106  -1.410
   60    HZ   PHE   8           HZ       PHE   8  -3.225  -8.534  -3.054
   61    H    GLN   9           H        GLN   9   1.923  -1.827  -3.163
   62    HA   GLN   9           HA       GLN   9   2.322  -0.344  -0.769
   63   1HB   GLN   9          1HB       GLN   9   3.790  -0.859  -3.068
   64   2HB   GLN   9          2HB       GLN   9   3.451   0.863  -3.171
   65   1HG   GLN   9          1HG       GLN   9   4.251   0.326  -0.519
   66   2HG   GLN   9          2HG       GLN   9   5.386  -0.493  -1.589
   67   1HE2  GLN   9          1HE2      GLN   9   4.401   2.469  -0.269
   68   2HE2  GLN   9          2HE2      GLN   9   5.509   3.491  -1.131
   69    H    CYS  10           H        CYS  10   1.757   1.714  -0.255
   70    HA   CYS  10           HA       CYS  10  -0.411   2.940  -1.730
   71   1HB   CYS  10          1HB       CYS  10  -0.620   3.155   0.633
   72   2HB   CYS  10          2HB       CYS  10   1.055   3.668   0.812
   73    H    THR  11           H        THR  11  -0.110   4.314  -3.334
   74    HA   THR  11           HA       THR  11   2.577   5.185  -3.949
   75    HB   THR  11           HB       THR  11   0.294   5.974  -5.681
   76    HG1  THR  11           1HG      THR  11   1.186   3.282  -5.336
   77   1HG2  THR  11          1HG2      THR  11   2.159   4.673  -7.199
   78   2HG2  THR  11          2HG2      THR  11   3.150   5.351  -5.908
   79   3HG2  THR  11          3HG2      THR  11   2.143   6.409  -6.894
   80    H    TRP  12           H        TRP  12   1.039   6.446  -1.697
   81    HA   TRP  12           HA       TRP  12   0.595   9.169  -2.605
   82   1HB   TRP  12          1HB       TRP  12  -0.455   7.794  -0.550
   83   2HB   TRP  12          2HB       TRP  12   0.902   8.544   0.285
   84    HD1  TRP  12           HD       TRP  12   0.529  10.924   1.134
   85    HE1  TRP  12           1HE      TRP  12  -1.260  12.744   0.803
   86    HE3  TRP  12           3HE      TRP  12  -2.229   8.669  -2.524
   87    HZ2  TRP  12           2HZ      TRP  12  -3.558  13.144  -0.774
   88    HZ3  TRP  12           3HZ      TRP  12  -4.221   9.831  -3.379
   89    HH2  TRP  12           HH       TRP  12  -4.869  12.026  -2.525
   90    HA   PRO  13           HA       PRO  13   4.917  10.053  -2.571
   91   1HB   PRO  13          1HB       PRO  13   4.028  12.877  -2.336
   92   2HB   PRO  13          2HB       PRO  13   5.068  12.119  -3.547
   93   1HG   PRO  13          1HG       PRO  13   2.561  12.787  -4.136
   94   2HG   PRO  13          2HG       PRO  13   3.271  11.284  -4.756
   95   1HD   PRO  13          1HD       PRO  13   1.348  11.683  -2.497
   96   2HD   PRO  13          2HD       PRO  13   1.397  10.399  -3.721
   97    H    ASP  14           H        ASP  14   2.941  12.014  -0.346
   98    HA   ASP  14           HA       ASP  14   5.201  12.473   1.378
   99   1HB   ASP  14          1HB       ASP  14   4.001  14.259   1.953
  100   2HB   ASP  14          2HB       ASP  14   2.687  13.698   0.930
  101    H    CYS  15           H        CYS  15   2.809  10.085   1.109
  102    HA   CYS  15           HA       CYS  15   3.028   9.262   3.896
  103   1HB   CYS  15          1HB       CYS  15   0.806   9.254   3.086
  104   2HB   CYS  15          2HB       CYS  15   1.270   8.462   1.588
  105    H    ASP  16           H        ASP  16   3.037   7.471   0.822
  106    HA   ASP  16           HA       ASP  16   4.297   5.777   0.016
  107   1HB   ASP  16          1HB       ASP  16   6.101   7.540   0.490
  108   2HB   ASP  16          2HB       ASP  16   6.498   6.542   1.879
  109    H    ARG  17           H        ARG  17   2.547   4.805   1.557
  110    HA   ARG  17           HA       ARG  17   3.782   3.170   3.646
  111   1HB   ARG  17          1HB       ARG  17   1.125   4.221   3.104
  112   2HB   ARG  17          2HB       ARG  17   1.086   2.497   3.479
  113   1HG   ARG  17          1HG       ARG  17   0.802   3.979   5.442
  114   2HG   ARG  17          2HG       ARG  17   2.168   2.868   5.572
  115   1HD   ARG  17          1HD       ARG  17   3.729   4.578   5.109
  116   2HD   ARG  17          2HD       ARG  17   2.463   5.684   4.571
  117    HE   ARG  17           HE       ARG  17   2.308   4.794   7.324
  118   1HH1  ARG  17          2HH1      ARG  17   3.363   7.256   5.088
  119   2HH1  ARG  17          1HH1      ARG  17   3.434   8.515   6.285
  120   1HH2  ARG  17          2HH2      ARG  17   2.402   6.437   8.928
  121   2HH2  ARG  17          1HH2      ARG  17   2.918   8.038   8.487
  122    H    SER  18           H        SER  18   2.996   0.793   3.651
  123    HA   SER  18           HA       SER  18   2.705  -0.235   0.928
  124   1HB   SER  18          1HB       SER  18   4.548  -1.975   2.037
  125   2HB   SER  18          2HB       SER  18   4.902  -0.720   0.853
  126    HG   SER  18           HG       SER  18   5.664   0.579   2.417
  127    H    PHE  19           H        PHE  19   1.234  -1.821   0.840
  128    HA   PHE  19           HA       PHE  19   0.534  -3.112   3.398
  129   1HB   PHE  19          1HB       PHE  19  -1.216  -2.144   1.138
  130   2HB   PHE  19          2HB       PHE  19  -1.797  -3.241   2.387
  131    HD1  PHE  19           1HD      PHE  19  -2.335  -2.462   4.544
  132    HD2  PHE  19           2HD      PHE  19  -0.533   0.144   1.717
  133    HE1  PHE  19           1HE      PHE  19  -2.819  -0.556   6.008
  134    HE2  PHE  19           2HE      PHE  19  -1.014   2.066   3.159
  135    HZ   PHE  19           HZ       PHE  19  -2.158   1.725   5.315
  136    H    SER  20           H        SER  20  -0.764  -5.086   3.101
  137    HA   SER  20           HA       SER  20  -0.011  -6.643   0.725
  138   1HB   SER  20          1HB       SER  20  -0.581  -8.404   2.890
  139   2HB   SER  20          2HB       SER  20   0.971  -8.149   2.089
  140    HG   SER  20           HG       SER  20   0.885  -7.744   4.439
  141    H    ARG  21           H        ARG  21  -2.310  -5.187   2.576
  142    HA   ARG  21           HA       ARG  21  -4.487  -7.047   1.982
  143   1HB   ARG  21          1HB       ARG  21  -4.518  -4.641   3.815
  144   2HB   ARG  21          2HB       ARG  21  -5.724  -5.914   3.720
  145   1HG   ARG  21          1HG       ARG  21  -4.567  -6.478   5.628
  146   2HG   ARG  21          2HG       ARG  21  -3.768  -7.474   4.411
  147   1HD   ARG  21          1HD       ARG  21  -1.826  -6.543   4.931
  148   2HD   ARG  21          2HD       ARG  21  -2.453  -4.966   4.462
  149    HE   ARG  21           HE       ARG  21  -2.682  -4.418   6.675
  150   1HH1  ARG  21          2HH1      ARG  21  -2.077  -7.868   6.377
  151   2HH1  ARG  21          1HH1      ARG  21  -1.865  -8.108   8.089
  152   1HH2  ARG  21          2HH2      ARG  21  -2.381  -4.734   8.926
  153   2HH2  ARG  21          1HH2      ARG  21  -2.036  -6.327   9.532
  154    H    SER  22           H        SER  22  -5.972  -6.578   0.485
  155    HA   SER  22           HA       SER  22  -5.632  -4.221  -1.110
  156   1HB   SER  22          1HB       SER  22  -7.982  -5.661  -1.850
  157   2HB   SER  22          2HB       SER  22  -6.424  -5.598  -2.674
  158    HG   SER  22           HG       SER  22  -6.199  -7.596  -2.100
  159    H    ASP  23           H        ASP  23  -7.717  -5.055   1.500
  160    HA   ASP  23           HA       ASP  23  -9.637  -2.947   0.770
  161   1HB   ASP  23          1HB       ASP  23 -10.879  -4.798   1.430
  162   2HB   ASP  23          2HB       ASP  23  -9.700  -5.285   2.642
  163    H    HIS  24           H        HIS  24  -7.016  -3.692   2.825
  164    HA   HIS  24           HA       HIS  24  -7.585  -1.561   4.682
  165   1HB   HIS  24          1HB       HIS  24  -5.786  -3.745   4.668
  166   2HB   HIS  24          2HB       HIS  24  -4.820  -2.274   4.793
  167    HD1  HIS  24           1HD      HIS  24  -4.249  -2.779   7.299
  168    HD2  HIS  24           2HD      HIS  24  -8.296  -2.274   6.483
  169    HE1  HIS  24           1HE      HIS  24  -5.370  -2.571   9.542
  170    HE2  HIS  24           2HE      HIS  24  -7.818  -2.240   9.031
  171    H    LEU  25           H        LEU  25  -5.398  -2.048   1.963
  172    HA   LEU  25           HA       LEU  25  -4.391   0.657   2.069
  173   1HB   LEU  25          1HB       LEU  25  -2.836  -0.777   1.164
  174   2HB   LEU  25          2HB       LEU  25  -4.040  -1.742   0.332
  175    HG   LEU  25           HG       LEU  25  -4.301   0.533  -1.051
  176   1HD1  LEU  25          1HD1      LEU  25  -1.957   0.924   0.512
  177   2HD1  LEU  25          2HD1      LEU  25  -1.488   0.792  -1.185
  178   3HD1  LEU  25          3HD1      LEU  25  -2.679   1.996  -0.688
  179   1HD2  LEU  25          1HD2      LEU  25  -3.352  -1.991  -1.525
  180   2HD2  LEU  25          2HD2      LEU  25  -3.556  -0.728  -2.741
  181   3HD2  LEU  25          3HD2      LEU  25  -1.982  -0.977  -1.983
  182    H    ALA  26           H        ALA  26  -7.277  -0.697   1.105
  183    HA   ALA  26           HA       ALA  26  -7.773   1.241  -1.020
  184   1HB   ALA  26          1HB       ALA  26  -8.799  -0.990  -1.197
  185   2HB   ALA  26          2HB       ALA  26  -9.697  -0.682   0.289
  186   3HB   ALA  26          3HB       ALA  26 -10.004   0.296  -1.146
  187    H    LEU  27           H        LEU  27  -8.894   0.538   2.299
  188    HA   LEU  27           HA       LEU  27 -10.426   2.948   2.437
  189   1HB   LEU  27          1HB       LEU  27 -11.048   2.319   4.577
  190   2HB   LEU  27          2HB       LEU  27 -10.798   0.790   3.764
  191    HG   LEU  27           HG       LEU  27  -8.343   1.217   4.908
  192   1HD1  LEU  27          1HD1      LEU  27 -10.470   2.415   6.661
  193   2HD1  LEU  27          2HD1      LEU  27  -8.978   1.740   7.313
  194   3HD1  LEU  27          3HD1      LEU  27  -8.914   3.104   6.196
  195   1HD2  LEU  27          1HD2      LEU  27 -10.674  -0.170   6.220
  196   2HD2  LEU  27          2HD2      LEU  27  -9.757  -0.835   4.866
  197   3HD2  LEU  27          3HD2      LEU  27  -8.959  -0.539   6.412
  198    H    HIS  28           H        HIS  28  -7.201   1.996   3.389
  199    HA   HIS  28           HA       HIS  28  -6.492   4.298   4.854
  200   1HB   HIS  28          1HB       HIS  28  -5.006   2.511   5.053
  201   2HB   HIS  28          2HB       HIS  28  -4.988   2.210   3.326
  202    HD1  HIS  28           1HD      HIS  28  -3.160   3.961   5.999
  203    HD2  HIS  28           2HD      HIS  28  -3.317   4.020   1.850
  204    HE1  HIS  28           1HE      HIS  28  -1.110   5.215   5.210
  205    H    ARG  29           H        ARG  29  -6.584   3.568   1.430
  206    HA   ARG  29           HA       ARG  29  -5.306   6.027   0.670
  207   1HB   ARG  29          1HB       ARG  29  -6.456   3.668  -0.751
  208   2HB   ARG  29          2HB       ARG  29  -6.209   5.165  -1.658
  209   1HG   ARG  29          1HG       ARG  29  -3.825   4.934  -0.381
  210   2HG   ARG  29          2HG       ARG  29  -4.252   3.238  -0.615
  211   1HD   ARG  29          1HD       ARG  29  -3.245   3.560  -2.610
  212   2HD   ARG  29          2HD       ARG  29  -4.833   4.189  -3.053
  213    HE   ARG  29           HE       ARG  29  -3.400   6.327  -2.026
  214   1HH1  ARG  29          2HH1      ARG  29  -3.081   4.085  -4.701
  215   2HH1  ARG  29          1HH1      ARG  29  -2.321   5.246  -5.746
  216   1HH2  ARG  29          2HH2      ARG  29  -2.387   7.841  -3.405
  217   2HH2  ARG  29          1HH2      ARG  29  -1.918   7.373  -5.009
  218    H    LYS  30           H        LYS  30  -8.511   4.989   1.321
  219    HA   LYS  30           HA       LYS  30  -9.867   7.025  -0.163
  220   1HB   LYS  30          1HB       LYS  30 -10.587   4.860   1.610
  221   2HB   LYS  30          2HB       LYS  30 -11.467   6.323   2.029
  222   1HG   LYS  30          1HG       LYS  30 -12.911   5.684   0.456
  223   2HG   LYS  30          2HG       LYS  30 -11.705   6.271  -0.692
  224   1HD   LYS  30          1HD       LYS  30 -11.394   4.214  -1.474
  225   2HD   LYS  30          2HD       LYS  30 -11.029   3.618   0.146
  226   1HE   LYS  30          2HE       LYS  30 -13.064   2.723   0.404
  227   2HE   LYS  30          1HE       LYS  30 -13.871   4.116  -0.315
  228   1HZ   LYS  30          1HZ       LYS  30 -12.718   3.024  -2.463
  229   2HZ   LYS  30          2HZ       LYS  30 -14.294   2.660  -1.953
  230   3HZ   LYS  30          3HZ       LYS  30 -13.014   1.631  -1.541
  231    H    ARG  31           H        ARG  31  -8.599   6.696   3.102
  232    HA   ARG  31           HA       ARG  31  -9.634   9.148   4.095
  233   1HB   ARG  31          1HB       ARG  31  -7.464   7.275   4.980
  234   2HB   ARG  31          2HB       ARG  31  -7.683   8.823   5.782
  235   1HG   ARG  31          1HG       ARG  31  -9.391   6.402   5.822
  236   2HG   ARG  31          2HG       ARG  31  -8.967   7.515   7.122
  237   1HD   ARG  31          1HD       ARG  31 -10.814   8.231   4.856
  238   2HD   ARG  31          2HD       ARG  31 -11.375   7.567   6.390
  239    HE   ARG  31           HE       ARG  31  -9.719   9.877   6.752
  240   1HH1  ARG  31          2HH1      ARG  31 -12.969   8.860   5.898
  241   2HH1  ARG  31          1HH1      ARG  31 -13.705  10.334   6.465
  242   1HH2  ARG  31          2HH2      ARG  31 -10.702  11.798   7.512
  243   2HH2  ARG  31          1HH2      ARG  31 -12.428  11.974   7.410
  244    H    HIS  32           H        HIS  32  -7.216   8.500   1.858
  245    HA   HIS  32           HA       HIS  32  -5.524  10.749   2.435
  246   1HB   HIS  32          1HB       HIS  32  -5.695   8.643   0.333
  247   2HB   HIS  32          2HB       HIS  32  -4.814  10.112  -0.034
  248    HD1  HIS  32           1HD      HIS  32  -3.435  10.471   2.798
  249    HD2  HIS  32           2HD      HIS  32  -3.639   6.953   0.591
  250    HE1  HIS  32           1HE      HIS  32  -1.464   9.048   3.524
  251    H    MET  33           H        MET  33  -8.094   9.924   0.150
  252    HA   MET  33           HA       MET  33  -7.948  12.526  -1.099
  253   1HB   MET  33          1HB       MET  33  -9.732  11.724  -2.568
  254   2HB   MET  33          2HB       MET  33  -8.402  10.573  -2.493
  255   1HG   MET  33          1HG       MET  33  -9.662   9.238  -0.895
  256   2HG   MET  33          2HG       MET  33 -11.002  10.374  -1.001
  257   1HE   MET  33          1HE       MET  33 -10.146   6.823  -3.561
  258   2HE   MET  33          2HE       MET  33  -8.794   7.956  -3.567
  259   3HE   MET  33          3HE       MET  33  -9.420   7.339  -2.038
  260    H    LEU  34           H        LEU  34  -9.673  11.016   1.436
  261    HA   LEU  34           HA       LEU  34 -11.693  13.146   1.455
  262   1HB   LEU  34          1HB       LEU  34 -11.577  10.384   2.567
  263   2HB   LEU  34          2HB       LEU  34 -12.551  11.577   3.408
  264    HG   LEU  34           HG       LEU  34 -13.152  11.706   0.618
  265   1HD1  LEU  34          1HD1      LEU  34 -12.293   9.392   0.562
  266   2HD1  LEU  34          2HD1      LEU  34 -13.458   8.952   1.810
  267   3HD1  LEU  34          3HD1      LEU  34 -14.022   9.483   0.226
  268   1HD2  LEU  34          1HD2      LEU  34 -14.447  11.728   3.134
  269   2HD2  LEU  34          2HD2      LEU  34 -15.102  12.171   1.558
  270   3HD2  LEU  34          3HD2      LEU  34 -15.239  10.509   2.135
  271    H    VAL  35           H        VAL  35  -9.607  14.372   2.071
  272    HA   VAL  35           HA       VAL  35  -9.661  14.671   4.972
  273    HB   VAL  35           HB       VAL  35  -7.679  13.210   4.258
  274   1HG1  VAL  35          1HG1      VAL  35  -6.806  15.853   3.129
  275   2HG1  VAL  35          2HG1      VAL  35  -5.677  14.563   3.540
  276   3HG1  VAL  35          3HG1      VAL  35  -6.911  14.298   2.307
  277   1HG2  VAL  35          1HG2      VAL  35  -6.089  14.749   5.702
  278   2HG2  VAL  35          2HG2      VAL  35  -7.591  15.631   5.979
  279   3HG2  VAL  35          3HG2      VAL  35  -7.475  13.925   6.417
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1  13.733  -7.026   3.698
    2   2H    GLY   1          2H        GLY   1  14.989  -8.141   3.913
    3   3H    GLY   1          3H        GLY   1  14.762  -6.897   5.039
    4   1HA   GLY   1          2HA       GLY   1  13.954  -9.095   5.810
    5   2HA   GLY   1          1HA       GLY   1  12.742  -7.822   5.819
    6    H    SER   2           H        SER   2  11.849 -10.344   5.869
    7    HA   SER   2           HA       SER   2  11.503 -11.703   3.478
    8   1HB   SER   2          1HB       SER   2   9.129 -12.023   4.981
    9   2HB   SER   2          2HB       SER   2  10.540 -13.084   4.956
   10    HG   SER   2           HG       SER   2  10.945 -12.457   6.911
   11    H    THR   3           H        THR   3   9.228  -9.417   5.005
   12    HA   THR   3           HA       THR   3   8.140  -8.891   2.319
   13    HB   THR   3           HB       THR   3   6.533  -8.466   4.819
   14    HG1  THR   3           1HG      THR   3   6.746 -10.883   3.304
   15   1HG2  THR   3          1HG2      THR   3   4.711  -8.370   3.404
   16   2HG2  THR   3          2HG2      THR   3   5.484  -9.365   2.169
   17   3HG2  THR   3          3HG2      THR   3   5.967  -7.682   2.374
   18    H    GLY   4           H        GLY   4   9.907  -7.299   2.264
   19   1HA   GLY   4          1HA       GLY   4   9.336  -4.884   3.855
   20   2HA   GLY   4          2HA       GLY   4  10.834  -5.201   2.987
   21    H    ILE   5           H        ILE   5   9.456  -6.205   0.653
   22    HA   ILE   5           HA       ILE   5   8.544  -3.657  -0.487
   23    HB   ILE   5           HB       ILE   5   9.577  -6.165  -1.818
   24   1HG1  ILE   5          2HG1      ILE   5  11.025  -3.894  -2.615
   25   2HG1  ILE   5          1HG1      ILE   5  10.816  -3.732  -0.874
   26   1HG2  ILE   5          1HG2      ILE   5   8.805  -3.604  -3.201
   27   2HG2  ILE   5          2HG2      ILE   5   9.250  -5.146  -3.934
   28   3HG2  ILE   5          3HG2      ILE   5   7.723  -4.991  -3.066
   29   1HD1  ILE   5          1HD1      ILE   5  12.318  -5.305  -0.463
   30   2HD1  ILE   5          2HD1      ILE   5  11.582  -6.416  -1.619
   31   3HD1  ILE   5          3HD1      ILE   5  12.746  -5.212  -2.173
   32    H    LYS   6           H        LYS   6   6.427  -3.439  -0.566
   33    HA   LYS   6           HA       LYS   6   4.764  -5.857  -0.669
   34   1HB   LYS   6          1HB       LYS   6   3.857  -3.086   0.122
   35   2HB   LYS   6          2HB       LYS   6   3.059  -4.626   0.438
   36   1HG   LYS   6          1HG       LYS   6   5.460  -5.010   1.659
   37   2HG   LYS   6          2HG       LYS   6   5.204  -3.282   1.910
   38   1HD   LYS   6          1HD       LYS   6   3.337  -3.613   3.199
   39   2HD   LYS   6          2HD       LYS   6   2.946  -5.152   2.432
   40   1HE   LYS   6          2HE       LYS   6   3.721  -5.983   4.384
   41   2HE   LYS   6          1HE       LYS   6   5.278  -5.809   3.576
   42   1HZ   LYS   6          1HZ       LYS   6   4.127  -4.241   5.759
   43   2HZ   LYS   6          2HZ       LYS   6   5.100  -3.416   4.641
   44   3HZ   LYS   6          3HZ       LYS   6   5.729  -4.728   5.504
   45    HA   PRO   7           HA       PRO   7   3.431  -4.730  -4.716
   46   1HB   PRO   7          1HB       PRO   7   1.259  -6.341  -4.894
   47   2HB   PRO   7          2HB       PRO   7   2.911  -6.952  -4.989
   48   1HG   PRO   7          1HG       PRO   7   0.982  -7.047  -2.730
   49   2HG   PRO   7          2HG       PRO   7   2.211  -8.229  -3.211
   50   1HD   PRO   7          1HD       PRO   7   2.454  -6.408  -1.133
   51   2HD   PRO   7          2HD       PRO   7   3.810  -7.228  -1.934
   52    H    PHE   8           H        PHE   8   1.209  -4.683  -2.009
   53    HA   PHE   8           HA       PHE   8  -0.633  -2.894  -3.371
   54   1HB   PHE   8          1HB       PHE   8  -0.643  -4.001  -0.556
   55   2HB   PHE   8          2HB       PHE   8  -1.916  -3.007  -1.249
   56    HD1  PHE   8           1HD      PHE   8  -0.647  -5.234  -3.705
   57    HD2  PHE   8           2HD      PHE   8  -3.204  -5.027  -0.314
   58    HE1  PHE   8           1HE      PHE   8  -1.794  -7.277  -4.451
   59    HE2  PHE   8           2HE      PHE   8  -4.352  -7.074  -1.039
   60    HZ   PHE   8           HZ       PHE   8  -3.648  -8.204  -3.120
   61    H    GLN   9           H        GLN   9   1.668  -1.690  -3.400
   62    HA   GLN   9           HA       GLN   9   2.289  -0.251  -1.009
   63   1HB   GLN   9          1HB       GLN   9   3.852  -0.953  -2.955
   64   2HB   GLN   9          2HB       GLN   9   3.259   0.497  -3.753
   65   1HG   GLN   9          1HG       GLN   9   3.968   1.340  -1.206
   66   2HG   GLN   9          2HG       GLN   9   5.235   0.207  -1.677
   67   1HE2  GLN   9          1HE2      GLN   9   3.844   3.305  -2.194
   68   2HE2  GLN   9          2HE2      GLN   9   4.985   3.856  -3.382
   69    H    CYS  10           H        CYS  10   1.685   1.737  -0.403
   70    HA   CYS  10           HA       CYS  10  -0.436   3.049  -1.866
   71   1HB   CYS  10          1HB       CYS  10  -0.709   3.210   0.472
   72   2HB   CYS  10          2HB       CYS  10   0.979   3.646   0.726
   73    H    THR  11           H        THR  11  -0.110   4.442  -3.421
   74    HA   THR  11           HA       THR  11   2.551   5.317  -4.040
   75    HB   THR  11           HB       THR  11   0.750   6.485  -5.838
   76    HG1  THR  11           1HG      THR  11  -0.477   4.438  -6.311
   77   1HG2  THR  11          1HG2      THR  11   2.860   4.564  -5.815
   78   2HG2  THR  11          2HG2      THR  11   2.242   5.499  -7.176
   79   3HG2  THR  11          3HG2      THR  11   1.537   3.928  -6.795
   80    H    TRP  12           H        TRP  12   1.165   6.541  -1.667
   81    HA   TRP  12           HA       TRP  12   0.718   9.287  -2.505
   82   1HB   TRP  12          1HB       TRP  12  -0.196   7.817  -0.366
   83   2HB   TRP  12          2HB       TRP  12   1.056   8.817   0.369
   84    HD1  TRP  12           HD       TRP  12   0.351  11.201   1.022
   85    HE1  TRP  12           1HE      TRP  12  -1.684  12.709   0.542
   86    HE3  TRP  12           3HE      TRP  12  -2.027   8.249  -2.396
   87    HZ2  TRP  12           2HZ      TRP  12  -3.992  12.644  -1.098
   88    HZ3  TRP  12           3HZ      TRP  12  -4.141   9.030  -3.369
   89    HH2  TRP  12           HH       TRP  12  -5.103  11.188  -2.737
   90    HA   PRO  13           HA       PRO  13   4.944  10.386  -2.422
   91   1HB   PRO  13          1HB       PRO  13   3.984  13.145  -1.934
   92   2HB   PRO  13          2HB       PRO  13   4.940  12.505  -3.275
   93   1HG   PRO  13          1HG       PRO  13   2.379  13.156  -3.617
   94   2HG   PRO  13          2HG       PRO  13   3.067  11.722  -4.406
   95   1HD   PRO  13          1HD       PRO  13   1.358  11.898  -1.951
   96   2HD   PRO  13          2HD       PRO  13   1.280  10.741  -3.297
   97    H    ASP  14           H        ASP  14   3.056  12.249  -0.032
   98    HA   ASP  14           HA       ASP  14   5.367  12.484   1.682
   99   1HB   ASP  14          1HB       ASP  14   4.313  14.361   2.283
  100   2HB   ASP  14          2HB       ASP  14   2.922  13.902   1.309
  101    H    CYS  15           H        CYS  15   2.985  10.204   1.237
  102    HA   CYS  15           HA       CYS  15   2.979   9.294   4.001
  103   1HB   CYS  15          1HB       CYS  15   0.833   9.261   2.995
  104   2HB   CYS  15          2HB       CYS  15   1.444   8.484   1.542
  105    H    ASP  16           H        ASP  16   3.344   7.649   0.860
  106    HA   ASP  16           HA       ASP  16   4.761   6.043   0.116
  107   1HB   ASP  16          1HB       ASP  16   6.414   7.827   1.089
  108   2HB   ASP  16          2HB       ASP  16   6.685   6.597   2.311
  109    H    ARG  17           H        ARG  17   2.792   4.978   1.426
  110    HA   ARG  17           HA       ARG  17   3.898   3.182   3.461
  111   1HB   ARG  17          1HB       ARG  17   1.300   4.413   3.014
  112   2HB   ARG  17          2HB       ARG  17   1.170   2.681   3.315
  113   1HG   ARG  17          1HG       ARG  17   0.983   3.987   5.364
  114   2HG   ARG  17          2HG       ARG  17   2.394   2.929   5.390
  115   1HD   ARG  17          1HD       ARG  17   3.798   4.846   4.709
  116   2HD   ARG  17          2HD       ARG  17   2.375   5.884   4.793
  117    HE   ARG  17           HE       ARG  17   2.656   4.533   7.232
  118   1HH1  ARG  17          2HH1      ARG  17   4.223   7.057   5.363
  119   2HH1  ARG  17          1HH1      ARG  17   4.878   7.858   6.762
  120   1HH2  ARG  17          2HH2      ARG  17   3.516   5.584   9.055
  121   2HH2  ARG  17          1HH2      ARG  17   4.507   6.997   8.856
  122    H    SER  18           H        SER  18   2.860   0.911   3.390
  123    HA   SER  18           HA       SER  18   2.418  -0.097   0.696
  124   1HB   SER  18          1HB       SER  18   4.338  -1.862   1.625
  125   2HB   SER  18          2HB       SER  18   4.603  -0.600   0.421
  126    HG   SER  18           HG       SER  18   5.882   0.315   1.795
  127    H    PHE  19           H        PHE  19   1.077  -1.853   0.717
  128    HA   PHE  19           HA       PHE  19   0.552  -3.065   3.356
  129   1HB   PHE  19          1HB       PHE  19  -1.392  -2.110   1.256
  130   2HB   PHE  19          2HB       PHE  19  -1.858  -3.188   2.567
  131    HD1  PHE  19           1HD      PHE  19  -0.487   0.150   1.814
  132    HD2  PHE  19           2HD      PHE  19  -2.366  -2.361   4.681
  133    HE1  PHE  19           1HE      PHE  19  -0.844   2.098   3.257
  134    HE2  PHE  19           2HE      PHE  19  -2.719  -0.423   6.156
  135    HZ   PHE  19           HZ       PHE  19  -1.952   1.820   5.437
  136    H    SER  20           H        SER  20  -0.892  -4.995   3.129
  137    HA   SER  20           HA       SER  20  -0.365  -6.567   0.709
  138   1HB   SER  20          1HB       SER  20  -0.601  -8.338   2.925
  139   2HB   SER  20          2HB       SER  20   0.805  -8.078   1.894
  140    HG   SER  20           HG       SER  20   1.404  -7.631   3.990
  141    H    ARG  21           H        ARG  21  -2.492  -5.131   2.738
  142    HA   ARG  21           HA       ARG  21  -4.652  -7.080   2.361
  143   1HB   ARG  21          1HB       ARG  21  -4.629  -4.597   4.099
  144   2HB   ARG  21          2HB       ARG  21  -5.868  -5.841   4.073
  145   1HG   ARG  21          1HG       ARG  21  -4.676  -6.344   5.984
  146   2HG   ARG  21          2HG       ARG  21  -3.959  -7.430   4.792
  147   1HD   ARG  21          1HD       ARG  21  -1.980  -6.591   5.352
  148   2HD   ARG  21          2HD       ARG  21  -2.480  -5.088   4.582
  149    HE   ARG  21           HE       ARG  21  -3.129  -4.260   6.750
  150   1HH1  ARG  21          2HH1      ARG  21  -1.330  -7.271   6.754
  151   2HH1  ARG  21          1HH1      ARG  21  -0.676  -7.023   8.348
  152   1HH2  ARG  21          2HH2      ARG  21  -2.312  -3.961   8.873
  153   2HH2  ARG  21          1HH2      ARG  21  -1.236  -5.144   9.551
  154    H    SER  22           H        SER  22  -5.931  -6.764   0.674
  155    HA   SER  22           HA       SER  22  -5.868  -4.410  -0.902
  156   1HB   SER  22          1HB       SER  22  -8.163  -5.965  -1.541
  157   2HB   SER  22          2HB       SER  22  -6.619  -5.906  -2.393
  158    HG   SER  22           HG       SER  22  -6.403  -7.893  -1.748
  159    H    ASP  23           H        ASP  23  -7.730  -5.300   1.836
  160    HA   ASP  23           HA       ASP  23  -9.840  -3.369   1.198
  161   1HB   ASP  23          1HB       ASP  23 -11.201  -4.625   2.506
  162   2HB   ASP  23          2HB       ASP  23  -9.960  -5.855   2.336
  163    H    HIS  24           H        HIS  24  -6.913  -3.546   2.749
  164    HA   HIS  24           HA       HIS  24  -7.739  -1.521   4.693
  165   1HB   HIS  24          1HB       HIS  24  -5.725  -3.606   4.744
  166   2HB   HIS  24          2HB       HIS  24  -5.075  -2.042   5.238
  167    HD1  HIS  24           1HD      HIS  24  -4.920  -2.953   7.711
  168    HD2  HIS  24           2HD      HIS  24  -8.764  -2.690   6.149
  169    HE1  HIS  24           1HE      HIS  24  -6.471  -3.175   9.684
  170    HE2  HIS  24           2HE      HIS  24  -8.789  -2.857   8.726
  171    H    LEU  25           H        LEU  25  -5.360  -2.019   2.153
  172    HA   LEU  25           HA       LEU  25  -4.340   0.657   2.264
  173   1HB   LEU  25          1HB       LEU  25  -2.828  -0.731   1.269
  174   2HB   LEU  25          2HB       LEU  25  -4.064  -1.733   0.534
  175    HG   LEU  25           HG       LEU  25  -4.371   0.594  -0.850
  176   1HD1  LEU  25          1HD1      LEU  25  -2.399   1.680  -1.225
  177   2HD1  LEU  25          2HD1      LEU  25  -2.199   1.233   0.471
  178   3HD1  LEU  25          3HD1      LEU  25  -1.418   0.279  -0.791
  179   1HD2  LEU  25          1HD2      LEU  25  -2.348  -1.138  -2.022
  180   2HD2  LEU  25          2HD2      LEU  25  -3.724  -2.028  -1.366
  181   3HD2  LEU  25          3HD2      LEU  25  -3.982  -0.765  -2.572
  182    H    ALA  26           H        ALA  26  -7.130  -0.868   0.850
  183    HA   ALA  26           HA       ALA  26  -7.626   1.223  -1.078
  184   1HB   ALA  26          1HB       ALA  26 -10.064   0.166  -0.723
  185   2HB   ALA  26          2HB       ALA  26  -8.837  -0.572  -1.752
  186   3HB   ALA  26          3HB       ALA  26  -9.084  -1.166  -0.109
  187    H    LEU  27           H        LEU  27  -8.594   0.489   2.241
  188    HA   LEU  27           HA       LEU  27 -10.332   2.763   2.502
  189   1HB   LEU  27          1HB       LEU  27  -9.038   0.943   4.529
  190   2HB   LEU  27          2HB       LEU  27 -10.094   2.268   4.970
  191    HG   LEU  27           HG       LEU  27 -10.748  -0.381   3.842
  192   1HD1  LEU  27          1HD1      LEU  27 -11.152   0.577   6.204
  193   2HD1  LEU  27          2HD1      LEU  27 -12.507   1.420   5.456
  194   3HD1  LEU  27          3HD1      LEU  27 -12.438  -0.344   5.425
  195   1HD2  LEU  27          1HD2      LEU  27 -11.609   1.967   2.493
  196   2HD2  LEU  27          2HD2      LEU  27 -12.081   0.293   2.203
  197   3HD2  LEU  27          3HD2      LEU  27 -12.992   1.281   3.346
  198    H    HIS  28           H        HIS  28  -7.040   1.953   3.410
  199    HA   HIS  28           HA       HIS  28  -6.332   4.298   4.741
  200   1HB   HIS  28          1HB       HIS  28  -4.860   2.498   4.961
  201   2HB   HIS  28          2HB       HIS  28  -4.812   2.206   3.233
  202    HD1  HIS  28           1HD      HIS  28  -3.075   4.012   5.933
  203    HD2  HIS  28           2HD      HIS  28  -3.134   3.972   1.789
  204    HE1  HIS  28           1HE      HIS  28  -1.013   5.256   5.168
  205    H    ARG  29           H        ARG  29  -6.300   3.487   1.316
  206    HA   ARG  29           HA       ARG  29  -5.126   5.988   0.533
  207   1HB   ARG  29          1HB       ARG  29  -6.234   3.605  -0.902
  208   2HB   ARG  29          2HB       ARG  29  -5.954   5.103  -1.794
  209   1HG   ARG  29          1HG       ARG  29  -3.599   4.899  -0.530
  210   2HG   ARG  29          2HG       ARG  29  -4.024   3.189  -0.640
  211   1HD   ARG  29          1HD       ARG  29  -3.137   3.286  -2.687
  212   2HD   ARG  29          2HD       ARG  29  -4.629   4.106  -3.143
  213    HE   ARG  29           HE       ARG  29  -2.405   5.744  -2.176
  214   1HH1  ARG  29          2HH1      ARG  29  -4.423   4.685  -4.823
  215   2HH1  ARG  29          1HH1      ARG  29  -3.819   5.876  -5.938
  216   1HH2  ARG  29          2HH2      ARG  29  -1.593   7.310  -3.642
  217   2HH2  ARG  29          1HH2      ARG  29  -2.186   7.351  -5.274
  218    H    LYS  30           H        LYS  30  -8.351   4.754   0.995
  219    HA   LYS  30           HA       LYS  30  -9.749   6.775  -0.428
  220   1HB   LYS  30          1HB       LYS  30 -10.405   4.555   1.243
  221   2HB   LYS  30          2HB       LYS  30 -11.258   5.972   1.839
  222   1HG   LYS  30          1HG       LYS  30 -12.800   5.424   0.317
  223   2HG   LYS  30          2HG       LYS  30 -11.691   6.166  -0.840
  224   1HD   LYS  30          1HD       LYS  30 -12.082   4.112  -1.816
  225   2HD   LYS  30          2HD       LYS  30 -10.604   3.804  -0.897
  226   1HE   LYS  30          2HE       LYS  30 -11.757   2.026  -0.137
  227   2HE   LYS  30          1HE       LYS  30 -12.451   3.213   0.967
  228   1HZ   LYS  30          1HZ       LYS  30 -13.701   1.734  -1.144
  229   2HZ   LYS  30          2HZ       LYS  30 -14.019   3.399  -1.250
  230   3HZ   LYS  30          3HZ       LYS  30 -14.400   2.551   0.170
  231    H    ARG  31           H        ARG  31  -8.620   6.451   2.903
  232    HA   ARG  31           HA       ARG  31  -9.683   8.850   3.920
  233   1HB   ARG  31          1HB       ARG  31  -7.193   7.351   4.739
  234   2HB   ARG  31          2HB       ARG  31  -7.950   8.629   5.678
  235   1HG   ARG  31          1HG       ARG  31 -10.024   7.214   5.735
  236   2HG   ARG  31          2HG       ARG  31  -9.057   5.913   5.037
  237   1HD   ARG  31          1HD       ARG  31  -8.004   7.285   7.450
  238   2HD   ARG  31          2HD       ARG  31  -9.373   6.195   7.658
  239    HE   ARG  31           HE       ARG  31  -6.651   5.483   6.901
  240   1HH1  ARG  31          2HH1      ARG  31  -9.987   4.450   7.246
  241   2HH1  ARG  31          1HH1      ARG  31  -9.583   2.759   7.327
  242   1HH2  ARG  31          2HH2      ARG  31  -6.127   3.253   7.042
  243   2HH2  ARG  31          1HH2      ARG  31  -7.405   2.086   7.228
  244    H    HIS  32           H        HIS  32  -7.014   8.254   1.832
  245    HA   HIS  32           HA       HIS  32  -5.570  10.664   2.326
  246   1HB   HIS  32          1HB       HIS  32  -5.573   8.525   0.239
  247   2HB   HIS  32          2HB       HIS  32  -4.738  10.028  -0.082
  248    HD1  HIS  32           1HD      HIS  32  -3.313  10.498   2.625
  249    HD2  HIS  32           2HD      HIS  32  -3.579   6.844   0.665
  250    HE1  HIS  32           1HE      HIS  32  -1.346   9.098   3.423
  251    H    MET  33           H        MET  33  -7.839   9.551  -0.148
  252    HA   MET  33           HA       MET  33  -7.836  12.087  -1.483
  253   1HB   MET  33          1HB       MET  33  -9.332  11.076  -3.070
  254   2HB   MET  33          2HB       MET  33  -8.043   9.940  -2.697
  255   1HG   MET  33          1HG       MET  33  -9.666   8.959  -0.992
  256   2HG   MET  33          2HG       MET  33 -10.901   9.876  -1.847
  257   1HE   MET  33          1HE       MET  33 -11.762   9.061  -4.512
  258   2HE   MET  33          2HE       MET  33 -10.256   9.976  -4.585
  259   3HE   MET  33          3HE       MET  33 -10.418   8.468  -5.487
  260    H    LEU  34           H        LEU  34  -9.683  10.594   0.992
  261    HA   LEU  34           HA       LEU  34 -11.896  12.475   0.685
  262   1HB   LEU  34          1HB       LEU  34 -11.525   9.880   1.940
  263   2HB   LEU  34          2HB       LEU  34 -12.306  11.022   3.017
  264    HG   LEU  34           HG       LEU  34 -13.658  11.340   0.609
  265   1HD1  LEU  34          1HD1      LEU  34 -12.424   9.163   0.001
  266   2HD1  LEU  34          2HD1      LEU  34 -13.538   8.396   1.133
  267   3HD1  LEU  34          3HD1      LEU  34 -14.164   9.256  -0.273
  268   1HD2  LEU  34          1HD2      LEU  34 -14.272   9.846   3.143
  269   2HD2  LEU  34          2HD2      LEU  34 -14.793  11.462   2.666
  270   3HD2  LEU  34          3HD2      LEU  34 -15.457  10.047   1.851
  271    H    VAL  35           H        VAL  35 -10.080  14.104   1.103
  272    HA   VAL  35           HA       VAL  35  -9.680  14.496   3.987
  273    HB   VAL  35           HB       VAL  35  -8.065  16.352   3.034
  274   1HG1  VAL  35          1HG1      VAL  35  -6.244  14.845   3.260
  275   2HG1  VAL  35          2HG1      VAL  35  -7.502  14.301   4.369
  276   3HG1  VAL  35          3HG1      VAL  35  -7.250  13.459   2.839
  277   1HG2  VAL  35          1HG2      VAL  35  -7.495  16.284   0.868
  278   2HG2  VAL  35          2HG2      VAL  35  -7.418  14.522   0.855
  279   3HG2  VAL  35          3HG2      VAL  35  -8.966  15.337   0.641
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  10.060 -12.433   4.554
    2   2H    GLY   1          2H        GLY   1  11.125 -11.228   5.076
    3   3H    GLY   1          3H        GLY   1  11.346 -12.833   5.582
    4   1HA   GLY   1          2HA       GLY   1  12.642 -13.237   3.862
    5   2HA   GLY   1          1HA       GLY   1  11.304 -12.840   2.794
    6    H    SER   2           H        SER   2  12.896 -12.004   1.328
    7    HA   SER   2           HA       SER   2  14.311  -9.592   2.140
    8   1HB   SER   2          1HB       SER   2  14.415 -10.263  -0.698
    9   2HB   SER   2          2HB       SER   2  15.731 -10.098   0.467
   10    HG   SER   2           HG       SER   2  15.225 -12.224   1.203
   11    H    THR   3           H        THR   3  11.363 -10.473   0.713
   12    HA   THR   3           HA       THR   3  10.963  -8.103  -0.854
   13    HB   THR   3           HB       THR   3   8.634  -9.714   0.045
   14    HG1  THR   3           1HG      THR   3  10.465 -10.750  -1.882
   15   1HG2  THR   3          1HG2      THR   3   9.523  -8.201  -2.336
   16   2HG2  THR   3          2HG2      THR   3   7.921  -8.334  -1.608
   17   3HG2  THR   3          3HG2      THR   3   8.529  -9.626  -2.643
   18    H    GLY   4           H        GLY   4  11.129  -6.305   0.405
   19   1HA   GLY   4          1HA       GLY   4   9.441  -6.118   2.806
   20   2HA   GLY   4          2HA       GLY   4  10.734  -5.007   2.365
   21    H    ILE   5           H        ILE   5  10.097  -4.533  -0.275
   22    HA   ILE   5           HA       ILE   5   7.996  -2.616  -0.058
   23    HB   ILE   5           HB       ILE   5   9.460  -3.683  -2.477
   24   1HG1  ILE   5          2HG1      ILE   5  10.845  -2.428  -0.860
   25   2HG1  ILE   5          1HG1      ILE   5  10.693  -1.584  -2.397
   26   1HG2  ILE   5          1HG2      ILE   5   7.566  -1.341  -2.280
   27   2HG2  ILE   5          2HG2      ILE   5   8.549  -1.746  -3.687
   28   3HG2  ILE   5          3HG2      ILE   5   7.279  -2.847  -3.153
   29   1HD1  ILE   5          1HD1      ILE   5  10.463  -0.324  -0.111
   30   2HD1  ILE   5          2HD1      ILE   5   9.461   0.111  -1.495
   31   3HD1  ILE   5          3HD1      ILE   5   8.800  -0.900  -0.211
   32    H    LYS   6           H        LYS   6   5.942  -3.114   0.007
   33    HA   LYS   6           HA       LYS   6   4.962  -5.672  -0.835
   34   1HB   LYS   6          1HB       LYS   6   3.464  -3.244   0.162
   35   2HB   LYS   6          2HB       LYS   6   2.807  -4.868   0.003
   36   1HG   LYS   6          1HG       LYS   6   5.172  -4.267   1.754
   37   2HG   LYS   6          2HG       LYS   6   3.507  -4.128   2.324
   38   1HD   LYS   6          1HD       LYS   6   3.491  -6.312   2.738
   39   2HD   LYS   6          2HD       LYS   6   3.726  -6.621   1.016
   40   1HE   LYS   6          2HE       LYS   6   5.452  -7.746   2.266
   41   2HE   LYS   6          1HE       LYS   6   6.166  -6.417   1.354
   42   1HZ   LYS   6          1HZ       LYS   6   6.723  -5.323   3.216
   43   2HZ   LYS   6          2HZ       LYS   6   6.617  -6.854   3.942
   44   3HZ   LYS   6          3HZ       LYS   6   5.314  -5.768   4.051
   45    HA   PRO   7           HA       PRO   7   3.527  -4.616  -4.905
   46   1HB   PRO   7          1HB       PRO   7   1.164  -6.259  -4.555
   47   2HB   PRO   7          2HB       PRO   7   2.587  -6.574  -5.544
   48   1HG   PRO   7          1HG       PRO   7   1.921  -7.969  -3.280
   49   2HG   PRO   7          2HG       PRO   7   3.560  -7.856  -3.942
   50   1HD   PRO   7          1HD       PRO   7   2.351  -6.459  -1.612
   51   2HD   PRO   7          2HD       PRO   7   4.028  -6.973  -1.885
   52    H    PHE   8           H        PHE   8   1.443  -4.539  -2.127
   53    HA   PHE   8           HA       PHE   8  -0.399  -2.671  -3.403
   54   1HB   PHE   8          1HB       PHE   8  -0.479  -3.896  -0.635
   55   2HB   PHE   8          2HB       PHE   8  -1.732  -2.892  -1.346
   56    HD1  PHE   8           1HD      PHE   8  -3.031  -4.942  -0.471
   57    HD2  PHE   8           2HD      PHE   8  -0.411  -5.061  -3.822
   58    HE1  PHE   8           1HE      PHE   8  -4.159  -6.972  -1.279
   59    HE2  PHE   8           2HE      PHE   8  -1.535  -7.085  -4.637
   60    HZ   PHE   8           HZ       PHE   8  -3.411  -8.050  -3.366
   61    H    GLN   9           H        GLN   9   2.135  -1.682  -3.168
   62    HA   GLN   9           HA       GLN   9   2.507  -0.227  -0.727
   63   1HB   GLN   9          1HB       GLN   9   4.511  -0.693  -1.861
   64   2HB   GLN   9          2HB       GLN   9   3.849  -0.219  -3.418
   65   1HG   GLN   9          1HG       GLN   9   4.569   1.863  -3.179
   66   2HG   GLN   9          2HG       GLN   9   3.835   2.002  -1.582
   67   1HE2  GLN   9          1HE2      GLN   9   5.070   1.650   0.230
   68   2HE2  GLN   9          2HE2      GLN   9   6.797   1.505   0.175
   69    H    CYS  10           H        CYS  10   1.685   1.687  -0.203
   70    HA   CYS  10           HA       CYS  10  -0.239   2.951  -1.881
   71   1HB   CYS  10          1HB       CYS  10  -0.579   3.089   0.484
   72   2HB   CYS  10          2HB       CYS  10   1.032   3.753   0.737
   73    H    THR  11           H        THR  11   0.149   4.301  -3.458
   74    HA   THR  11           HA       THR  11   2.823   5.231  -3.932
   75    HB   THR  11           HB       THR  11   1.065   6.295  -5.868
   76    HG1  THR  11           1HG      THR  11   0.502   3.554  -5.731
   77   1HG2  THR  11          1HG2      THR  11   3.314   4.524  -5.685
   78   2HG2  THR  11          2HG2      THR  11   2.773   5.491  -7.057
   79   3HG2  THR  11          3HG2      THR  11   2.135   3.863  -6.815
   80    H    TRP  12           H        TRP  12   0.982   6.472  -1.774
   81    HA   TRP  12           HA       TRP  12   0.569   9.171  -2.680
   82   1HB   TRP  12          1HB       TRP  12  -0.428   7.748  -0.593
   83   2HB   TRP  12          2HB       TRP  12   0.818   8.686   0.225
   84    HD1  TRP  12           HD       TRP  12   0.256  11.148   0.786
   85    HE1  TRP  12           1HE      TRP  12  -1.712  12.730   0.272
   86    HE3  TRP  12           3HE      TRP  12  -2.315   8.203  -2.511
   87    HZ2  TRP  12           2HZ      TRP  12  -4.044  12.719  -1.306
   88    HZ3  TRP  12           3HZ      TRP  12  -4.415   9.059  -3.462
   89    HH2  TRP  12           HH       TRP  12  -5.260  11.271  -2.872
   90    HA   PRO  13           HA       PRO  13   4.754  10.421  -2.761
   91   1HB   PRO  13          1HB       PRO  13   4.208  13.123  -2.115
   92   2HB   PRO  13          2HB       PRO  13   4.353  12.423  -3.727
   93   1HG   PRO  13          1HG       PRO  13   1.920  13.010  -2.127
   94   2HG   PRO  13          2HG       PRO  13   2.151  13.055  -3.883
   95   1HD   PRO  13          1HD       PRO  13   0.795  11.072  -2.716
   96   2HD   PRO  13          2HD       PRO  13   1.866  10.755  -4.098
   97    H    ASP  14           H        ASP  14   3.064  12.248  -0.193
   98    HA   ASP  14           HA       ASP  14   5.415  12.343   1.412
   99   1HB   ASP  14          1HB       ASP  14   3.648  14.093   1.435
  100   2HB   ASP  14          2HB       ASP  14   2.564  12.946   2.217
  101    H    CYS  15           H        CYS  15   2.474  10.433   1.480
  102    HA   CYS  15           HA       CYS  15   2.819   9.222   3.973
  103   1HB   CYS  15          1HB       CYS  15   0.680   9.157   2.985
  104   2HB   CYS  15          2HB       CYS  15   1.304   8.485   1.483
  105    H    ASP  16           H        ASP  16   3.054   7.478   0.890
  106    HA   ASP  16           HA       ASP  16   4.405   5.823   0.141
  107   1HB   ASP  16          1HB       ASP  16   6.165   7.603   0.833
  108   2HB   ASP  16          2HB       ASP  16   6.478   6.505   2.167
  109    H    ARG  17           H        ARG  17   2.595   4.705   1.383
  110    HA   ARG  17           HA       ARG  17   3.633   3.114   3.623
  111   1HB   ARG  17          1HB       ARG  17   1.019   4.146   2.877
  112   2HB   ARG  17          2HB       ARG  17   0.959   2.421   3.239
  113   1HG   ARG  17          1HG       ARG  17   0.515   3.895   5.178
  114   2HG   ARG  17          2HG       ARG  17   1.867   2.781   5.413
  115   1HD   ARG  17          1HD       ARG  17   3.457   4.518   5.044
  116   2HD   ARG  17          2HD       ARG  17   2.202   5.634   4.494
  117    HE   ARG  17           HE       ARG  17   1.709   4.712   7.136
  118   1HH1  ARG  17          2HH1      ARG  17   3.639   6.955   5.285
  119   2HH1  ARG  17          1HH1      ARG  17   3.866   8.062   6.604
  120   1HH2  ARG  17          2HH2      ARG  17   1.980   6.172   8.889
  121   2HH2  ARG  17          1HH2      ARG  17   2.884   7.643   8.641
  122    H    SER  18           H        SER  18   2.454   0.770   3.493
  123    HA   SER  18           HA       SER  18   2.343  -0.314   0.833
  124   1HB   SER  18          1HB       SER  18   4.263  -2.017   1.907
  125   2HB   SER  18          2HB       SER  18   4.526  -0.825   0.637
  126    HG   SER  18           HG       SER  18   6.006  -0.491   2.299
  127    H    PHE  19           H        PHE  19   0.979  -2.005   0.828
  128    HA   PHE  19           HA       PHE  19   0.335  -3.185   3.447
  129   1HB   PHE  19          1HB       PHE  19  -1.456  -2.307   1.186
  130   2HB   PHE  19          2HB       PHE  19  -2.011  -3.369   2.477
  131    HD1  PHE  19           1HD      PHE  19  -2.600  -2.531   4.566
  132    HD2  PHE  19           2HD      PHE  19  -0.666  -0.014   1.743
  133    HE1  PHE  19           1HE      PHE  19  -3.044  -0.592   6.002
  134    HE2  PHE  19           2HE      PHE  19  -1.121   1.941   3.155
  135    HZ   PHE  19           HZ       PHE  19  -2.293   1.664   5.293
  136    H    SER  20           H        SER  20  -0.831  -5.201   3.348
  137    HA   SER  20           HA       SER  20  -0.143  -6.849   1.008
  138   1HB   SER  20          1HB       SER  20  -0.530  -7.828   3.851
  139   2HB   SER  20          2HB       SER  20  -0.057  -8.797   2.456
  140    HG   SER  20           HG       SER  20   1.893  -7.732   2.379
  141    H    ARG  21           H        ARG  21  -2.492  -5.477   3.038
  142    HA   ARG  21           HA       ARG  21  -4.603  -7.246   2.022
  143   1HB   ARG  21          1HB       ARG  21  -5.369  -5.099   3.887
  144   2HB   ARG  21          2HB       ARG  21  -5.857  -6.787   3.849
  145   1HG   ARG  21          1HG       ARG  21  -4.112  -7.461   5.162
  146   2HG   ARG  21          2HG       ARG  21  -3.109  -6.096   4.689
  147   1HD   ARG  21          1HD       ARG  21  -5.096  -4.771   5.873
  148   2HD   ARG  21          2HD       ARG  21  -5.188  -6.288   6.758
  149    HE   ARG  21           HE       ARG  21  -2.847  -4.498   6.682
  150   1HH1  ARG  21          2HH1      ARG  21  -4.747  -7.031   8.191
  151   2HH1  ARG  21          1HH1      ARG  21  -3.761  -7.102   9.619
  152   1HH2  ARG  21          2HH2      ARG  21  -1.493  -4.651   8.545
  153   2HH2  ARG  21          1HH2      ARG  21  -1.889  -5.789   9.799
  154    H    SER  22           H        SER  22  -5.863  -6.614   0.509
  155    HA   SER  22           HA       SER  22  -5.537  -4.078  -0.784
  156   1HB   SER  22          1HB       SER  22  -7.818  -5.273  -1.843
  157   2HB   SER  22          2HB       SER  22  -6.176  -5.432  -2.465
  158    HG   SER  22           HG       SER  22  -7.708  -7.215  -0.952
  159    H    ASP  23           H        ASP  23  -7.733  -5.439   1.543
  160    HA   ASP  23           HA       ASP  23  -9.747  -3.403   1.215
  161   1HB   ASP  23          1HB       ASP  23 -10.963  -4.563   2.865
  162   2HB   ASP  23          2HB       ASP  23 -10.127  -5.823   1.974
  163    H    HIS  24           H        HIS  24  -6.755  -3.506   2.605
  164    HA   HIS  24           HA       HIS  24  -7.538  -1.570   4.651
  165   1HB   HIS  24          1HB       HIS  24  -5.556  -3.585   4.657
  166   2HB   HIS  24          2HB       HIS  24  -4.723  -2.027   4.738
  167    HD1  HIS  24           1HD      HIS  24  -4.123  -2.472   7.279
  168    HD2  HIS  24           2HD      HIS  24  -8.177  -2.250   6.380
  169    HE1  HIS  24           1HE      HIS  24  -5.293  -2.223   9.494
  170    HE2  HIS  24           2HE      HIS  24  -7.728  -1.895   8.908
  171    H    LEU  25           H        LEU  25  -5.200  -1.923   2.029
  172    HA   LEU  25           HA       LEU  25  -4.389   0.794   2.091
  173   1HB   LEU  25          1HB       LEU  25  -2.816  -0.532   1.112
  174   2HB   LEU  25          2HB       LEU  25  -3.998  -1.577   0.356
  175    HG   LEU  25           HG       LEU  25  -4.372   0.712  -1.052
  176   1HD1  LEU  25          1HD1      LEU  25  -2.435   1.901  -1.381
  177   2HD1  LEU  25          2HD1      LEU  25  -2.308   1.521   0.337
  178   3HD1  LEU  25          3HD1      LEU  25  -1.403   0.575  -0.844
  179   1HD2  LEU  25          1HD2      LEU  25  -3.140  -1.868  -1.423
  180   2HD2  LEU  25          2HD2      LEU  25  -4.074  -0.894  -2.561
  181   3HD2  LEU  25          3HD2      LEU  25  -2.335  -0.640  -2.402
  182    H    ALA  26           H        ALA  26  -7.214  -0.748   0.884
  183    HA   ALA  26           HA       ALA  26  -7.766   1.271  -1.119
  184   1HB   ALA  26          1HB       ALA  26  -9.058  -1.173  -0.187
  185   2HB   ALA  26          2HB       ALA  26 -10.196   0.139  -0.496
  186   3HB   ALA  26          3HB       ALA  26  -9.103  -0.399  -1.772
  187    H    LEU  27           H        LEU  27  -8.754   0.605   2.244
  188    HA   LEU  27           HA       LEU  27 -10.413   2.961   2.348
  189   1HB   LEU  27          1HB       LEU  27 -11.021   2.339   4.483
  190   2HB   LEU  27          2HB       LEU  27 -10.694   0.796   3.727
  191    HG   LEU  27           HG       LEU  27  -8.282   1.270   4.847
  192   1HD1  LEU  27          1HD1      LEU  27 -10.247   2.948   6.285
  193   2HD1  LEU  27          2HD1      LEU  27  -9.167   1.967   7.277
  194   3HD1  LEU  27          3HD1      LEU  27  -8.499   3.126   6.129
  195   1HD2  LEU  27          1HD2      LEU  27  -9.836  -0.709   5.038
  196   2HD2  LEU  27          2HD2      LEU  27  -8.877  -0.339   6.471
  197   3HD2  LEU  27          3HD2      LEU  27 -10.579   0.118   6.408
  198    H    HIS  28           H        HIS  28  -7.183   2.045   3.282
  199    HA   HIS  28           HA       HIS  28  -6.473   4.343   4.737
  200   1HB   HIS  28          1HB       HIS  28  -5.007   2.538   4.942
  201   2HB   HIS  28          2HB       HIS  28  -4.990   2.238   3.215
  202    HD1  HIS  28           1HD      HIS  28  -3.187   4.035   5.882
  203    HD2  HIS  28           2HD      HIS  28  -3.292   3.939   1.740
  204    HE1  HIS  28           1HE      HIS  28  -1.120   5.250   5.074
  205    H    ARG  29           H        ARG  29  -6.547   3.604   1.318
  206    HA   ARG  29           HA       ARG  29  -5.302   6.081   0.544
  207   1HB   ARG  29          1HB       ARG  29  -6.502   3.754  -0.917
  208   2HB   ARG  29          2HB       ARG  29  -6.187   5.263  -1.779
  209   1HG   ARG  29          1HG       ARG  29  -3.819   4.977  -0.584
  210   2HG   ARG  29          2HG       ARG  29  -4.291   3.277  -0.665
  211   1HD   ARG  29          1HD       ARG  29  -3.564   3.269  -2.764
  212   2HD   ARG  29          2HD       ARG  29  -4.918   4.324  -3.171
  213    HE   ARG  29           HE       ARG  29  -2.768   5.851  -2.147
  214   1HH1  ARG  29          2HH1      ARG  29  -3.702   4.056  -5.000
  215   2HH1  ARG  29          1HH1      ARG  29  -2.726   5.010  -6.073
  216   1HH2  ARG  29          2HH2      ARG  29  -1.481   7.115  -3.567
  217   2HH2  ARG  29          1HH2      ARG  29  -1.466   6.747  -5.264
  218    H    LYS  30           H        LYS  30  -8.500   4.968   1.185
  219    HA   LYS  30           HA       LYS  30  -9.896   7.030  -0.211
  220   1HB   LYS  30          1HB       LYS  30 -10.570   4.764   1.393
  221   2HB   LYS  30          2HB       LYS  30 -11.389   6.176   2.048
  222   1HG   LYS  30          1HG       LYS  30 -12.921   5.412   0.528
  223   2HG   LYS  30          2HG       LYS  30 -12.039   6.607  -0.428
  224   1HD   LYS  30          1HD       LYS  30 -10.538   4.478  -0.964
  225   2HD   LYS  30          2HD       LYS  30 -12.059   3.648  -0.627
  226   1HE   LYS  30          2HE       LYS  30 -12.457   5.964  -2.316
  227   2HE   LYS  30          1HE       LYS  30 -11.295   4.840  -3.022
  228   1HZ   LYS  30          1HZ       LYS  30 -13.849   4.563  -3.419
  229   2HZ   LYS  30          2HZ       LYS  30 -13.789   3.763  -1.924
  230   3HZ   LYS  30          3HZ       LYS  30 -12.849   3.207  -3.220
  231    H    ARG  31           H        ARG  31  -8.590   6.611   3.029
  232    HA   ARG  31           HA       ARG  31  -9.607   9.041   4.102
  233   1HB   ARG  31          1HB       ARG  31  -7.488   7.087   4.910
  234   2HB   ARG  31          2HB       ARG  31  -7.592   8.639   5.731
  235   1HG   ARG  31          1HG       ARG  31 -10.203   7.665   5.671
  236   2HG   ARG  31          2HG       ARG  31  -9.189   6.276   6.070
  237   1HD   ARG  31          1HD       ARG  31  -8.257   8.523   7.543
  238   2HD   ARG  31          2HD       ARG  31 -10.005   8.412   7.747
  239    HE   ARG  31           HE       ARG  31  -8.009   6.443   8.577
  240   1HH1  ARG  31          2HH1      ARG  31 -11.386   7.400   8.372
  241   2HH1  ARG  31          1HH1      ARG  31 -11.915   6.185   9.506
  242   1HH2  ARG  31          2HH2      ARG  31  -8.715   4.861  10.056
  243   2HH2  ARG  31          1HH2      ARG  31 -10.392   4.784  10.501
  244    H    HIS  32           H        HIS  32  -7.219   8.418   1.826
  245    HA   HIS  32           HA       HIS  32  -5.528  10.684   2.392
  246   1HB   HIS  32          1HB       HIS  32  -5.712   8.566   0.303
  247   2HB   HIS  32          2HB       HIS  32  -4.846  10.040  -0.075
  248    HD1  HIS  32           1HD      HIS  32  -3.370  10.442   2.662
  249    HD2  HIS  32           2HD      HIS  32  -3.715   6.855   0.590
  250    HE1  HIS  32           1HE      HIS  32  -1.358   9.036   3.313
  251    H    MET  33           H        MET  33  -7.821   9.735  -0.153
  252    HA   MET  33           HA       MET  33  -7.808  12.301  -1.377
  253   1HB   MET  33          1HB       MET  33  -9.625  11.444  -2.771
  254   2HB   MET  33          2HB       MET  33  -8.292  10.300  -2.683
  255   1HG   MET  33          1HG       MET  33  -9.504   8.999  -1.040
  256   2HG   MET  33          2HG       MET  33 -10.840  10.145  -1.093
  257   1HE   MET  33          1HE       MET  33 -12.225  10.667  -3.041
  258   2HE   MET  33          2HE       MET  33 -12.784   9.419  -4.156
  259   3HE   MET  33          3HE       MET  33 -13.036   9.228  -2.422
  260    H    LEU  34           H        LEU  34  -9.589  10.821   1.169
  261    HA   LEU  34           HA       LEU  34 -11.370  13.159   1.285
  262   1HB   LEU  34          1HB       LEU  34 -11.807  10.464   2.565
  263   2HB   LEU  34          2HB       LEU  34 -12.938  11.806   2.535
  264    HG   LEU  34           HG       LEU  34 -12.032  10.874  -0.100
  265   1HD1  LEU  34          1HD1      LEU  34 -12.286   8.764   1.256
  266   2HD1  LEU  34          2HD1      LEU  34 -13.987   9.187   1.452
  267   3HD1  LEU  34          3HD1      LEU  34 -13.331   8.889  -0.157
  268   1HD2  LEU  34          1HD2      LEU  34 -14.867  10.943   0.340
  269   2HD2  LEU  34          2HD2      LEU  34 -14.112  12.399   0.987
  270   3HD2  LEU  34          3HD2      LEU  34 -13.869  11.957  -0.704
  271    H    VAL  35           H        VAL  35  -9.464  14.160   2.207
  272    HA   VAL  35           HA       VAL  35  -8.780  13.407   4.937
  273    HB   VAL  35           HB       VAL  35  -7.359  15.563   4.773
  274   1HG1  VAL  35          1HG1      VAL  35  -6.361  13.624   2.780
  275   2HG1  VAL  35          2HG1      VAL  35  -5.585  14.275   4.224
  276   3HG1  VAL  35          3HG1      VAL  35  -6.778  12.985   4.370
  277   1HG2  VAL  35          1HG2      VAL  35  -8.723  16.056   2.527
  278   2HG2  VAL  35          2HG2      VAL  35  -7.079  16.632   2.796
  279   3HG2  VAL  35          3HG2      VAL  35  -7.355  15.177   1.839
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  16.784  -4.469   5.622
    2   2H    GLY   1          2H        GLY   1  17.446  -3.220   6.555
    3   3H    GLY   1          3H        GLY   1  18.246  -3.748   5.155
    4   1HA   GLY   1          2HA       GLY   1  17.173  -1.686   4.675
    5   2HA   GLY   1          1HA       GLY   1  16.368  -2.986   3.806
    6    H    SER   2           H        SER   2  14.735  -1.138   3.825
    7    HA   SER   2           HA       SER   2  13.176  -1.078   6.306
    8   1HB   SER   2          1HB       SER   2  12.779   0.480   3.738
    9   2HB   SER   2          2HB       SER   2  11.920   0.735   5.257
   10    HG   SER   2           HG       SER   2  14.071   1.130   6.185
   11    H    THR   3           H        THR   3  11.185  -1.998   6.480
   12    HA   THR   3           HA       THR   3  10.469  -3.973   4.510
   13    HB   THR   3           HB       THR   3   8.526  -3.465   6.646
   14    HG1  THR   3           1HG      THR   3  10.226  -2.922   7.930
   15   1HG2  THR   3          1HG2      THR   3   9.693  -6.001   6.897
   16   2HG2  THR   3          2HG2      THR   3   9.660  -5.666   5.167
   17   3HG2  THR   3          3HG2      THR   3   8.168  -5.601   6.106
   18    H    GLY   4           H        GLY   4  10.312  -1.749   3.143
   19   1HA   GLY   4          1HA       GLY   4   7.447  -1.015   3.089
   20   2HA   GLY   4          2HA       GLY   4   8.745   0.061   2.581
   21    H    ILE   5           H        ILE   5   8.679  -3.340   1.899
   22    HA   ILE   5           HA       ILE   5   8.346  -2.725  -0.959
   23    HB   ILE   5           HB       ILE   5   9.912  -4.945   0.366
   24   1HG1  ILE   5          2HG1      ILE   5  10.979  -2.706   0.366
   25   2HG1  ILE   5          1HG1      ILE   5  11.867  -3.882  -0.598
   26   1HG2  ILE   5          1HG2      ILE   5   8.627  -5.133  -2.052
   27   2HG2  ILE   5          2HG2      ILE   5  10.249  -4.617  -2.513
   28   3HG2  ILE   5          3HG2      ILE   5  10.027  -6.084  -1.559
   29   1HD1  ILE   5          1HD1      ILE   5  11.786  -1.727  -1.701
   30   2HD1  ILE   5          2HD1      ILE   5  10.900  -2.937  -2.629
   31   3HD1  ILE   5          3HD1      ILE   5  10.022  -1.754  -1.660
   32    H    LYS   6           H        LYS   6   6.150  -2.957  -1.041
   33    HA   LYS   6           HA       LYS   6   5.096  -5.673  -0.576
   34   1HB   LYS   6          1HB       LYS   6   3.840  -3.038   0.216
   35   2HB   LYS   6          2HB       LYS   6   2.954  -4.557   0.152
   36   1HG   LYS   6          1HG       LYS   6   5.400  -4.149   1.852
   37   2HG   LYS   6          2HG       LYS   6   3.752  -3.871   2.421
   38   1HD   LYS   6          1HD       LYS   6   3.301  -6.276   1.614
   39   2HD   LYS   6          2HD       LYS   6   5.058  -6.447   1.607
   40   1HE   LYS   6          2HE       LYS   6   4.842  -5.458   4.030
   41   2HE   LYS   6          1HE       LYS   6   3.185  -6.043   3.893
   42   1HZ   LYS   6          1HZ       LYS   6   4.299  -7.827   4.811
   43   2HZ   LYS   6          2HZ       LYS   6   5.695  -7.592   3.877
   44   3HZ   LYS   6          3HZ       LYS   6   4.296  -8.224   3.164
   45    HA   PRO   7           HA       PRO   7   3.465  -5.201  -4.641
   46   1HB   PRO   7          1HB       PRO   7   1.286  -6.806  -4.544
   47   2HB   PRO   7          2HB       PRO   7   2.933  -7.442  -4.563
   48   1HG   PRO   7          1HG       PRO   7   1.043  -7.142  -2.282
   49   2HG   PRO   7          2HG       PRO   7   2.215  -8.430  -2.609
   50   1HD   PRO   7          1HD       PRO   7   2.602  -6.359  -0.824
   51   2HD   PRO   7          2HD       PRO   7   3.907  -7.299  -1.580
   52    H    PHE   8           H        PHE   8   1.402  -4.712  -1.880
   53    HA   PHE   8           HA       PHE   8  -0.446  -3.047  -3.423
   54   1HB   PHE   8          1HB       PHE   8  -0.579  -3.968  -0.548
   55   2HB   PHE   8          2HB       PHE   8  -1.828  -3.055  -1.383
   56    HD1  PHE   8           1HD      PHE   8  -3.159  -4.994  -0.367
   57    HD2  PHE   8           2HD      PHE   8  -0.387  -5.476  -3.551
   58    HE1  PHE   8           1HE      PHE   8  -4.235  -7.117  -0.970
   59    HE2  PHE   8           2HE      PHE   8  -1.466  -7.591  -4.176
   60    HZ   PHE   8           HZ       PHE   8  -3.393  -8.421  -2.885
   61    H    GLN   9           H        GLN   9   1.824  -1.811  -3.460
   62    HA   GLN   9           HA       GLN   9   2.415  -0.283  -1.121
   63   1HB   GLN   9          1HB       GLN   9   4.330  -0.440  -2.324
   64   2HB   GLN   9          2HB       GLN   9   3.481  -0.568  -3.856
   65   1HG   GLN   9          1HG       GLN   9   4.159   1.486  -4.301
   66   2HG   GLN   9          2HG       GLN   9   3.068   2.056  -3.040
   67   1HE2  GLN   9          1HE2      GLN   9   4.002   3.376  -1.687
   68   2HE2  GLN   9          2HE2      GLN   9   5.655   3.329  -1.171
   69    H    CYS  10           H        CYS  10   1.868   1.770  -0.618
   70    HA   CYS  10           HA       CYS  10  -0.368   2.951  -2.043
   71   1HB   CYS  10          1HB       CYS  10  -0.550   3.073   0.334
   72   2HB   CYS  10          2HB       CYS  10   1.096   3.680   0.497
   73    H    THR  11           H        THR  11  -0.190   4.532  -3.495
   74    HA   THR  11           HA       THR  11   2.466   5.464  -4.179
   75    HB   THR  11           HB       THR  11   0.304   6.513  -5.816
   76    HG1  THR  11           1HG      THR  11   0.580   3.671  -5.726
   77   1HG2  THR  11          1HG2      THR  11   2.957   5.739  -6.094
   78   2HG2  THR  11          2HG2      THR  11   1.872   6.251  -7.388
   79   3HG2  THR  11          3HG2      THR  11   2.054   4.537  -7.016
   80    H    TRP  12           H        TRP  12   1.252   6.550  -1.756
   81    HA   TRP  12           HA       TRP  12   0.673   9.317  -2.514
   82   1HB   TRP  12          1HB       TRP  12  -0.379   7.831  -0.521
   83   2HB   TRP  12          2HB       TRP  12   0.951   8.594   0.349
   84    HD1  TRP  12           HD       TRP  12   0.669  11.089   1.024
   85    HE1  TRP  12           1HE      TRP  12  -1.214  12.824   0.754
   86    HE3  TRP  12           3HE      TRP  12  -2.328   8.514  -2.211
   87    HZ2  TRP  12           2HZ      TRP  12  -3.661  13.055  -0.643
   88    HZ3  TRP  12           3HZ      TRP  12  -4.427   9.548  -2.953
   89    HH2  TRP  12           HH       TRP  12  -5.082  11.776  -2.189
   90    HA   PRO  13           HA       PRO  13   4.943  10.357  -2.383
   91   1HB   PRO  13          1HB       PRO  13   3.961  13.093  -1.771
   92   2HB   PRO  13          2HB       PRO  13   5.015  12.540  -3.077
   93   1HG   PRO  13          1HG       PRO  13   2.477  13.183  -3.560
   94   2HG   PRO  13          2HG       PRO  13   3.239  11.804  -4.378
   95   1HD   PRO  13          1HD       PRO  13   1.319  11.830  -2.085
   96   2HD   PRO  13          2HD       PRO  13   1.418  10.714  -3.463
   97    H    ASP  14           H        ASP  14   3.140  12.316   0.005
   98    HA   ASP  14           HA       ASP  14   5.338  12.461   1.797
   99   1HB   ASP  14          1HB       ASP  14   3.793  14.222   1.979
  100   2HB   ASP  14          2HB       ASP  14   2.412  13.131   2.001
  101    H    CYS  15           H        CYS  15   2.591  10.325   1.522
  102    HA   CYS  15           HA       CYS  15   2.951   9.084   4.068
  103   1HB   CYS  15          1HB       CYS  15   0.756   9.021   3.255
  104   2HB   CYS  15          2HB       CYS  15   1.267   8.541   1.642
  105    H    ASP  16           H        ASP  16   3.028   7.527   0.888
  106    HA   ASP  16           HA       ASP  16   4.309   5.901  -0.017
  107   1HB   ASP  16          1HB       ASP  16   6.115   7.575   0.383
  108   2HB   ASP  16          2HB       ASP  16   6.448   6.751   1.898
  109    H    ARG  17           H        ARG  17   2.579   4.783   1.410
  110    HA   ARG  17           HA       ARG  17   3.852   3.086   3.437
  111   1HB   ARG  17          1HB       ARG  17   1.164   4.156   3.005
  112   2HB   ARG  17          2HB       ARG  17   1.162   2.442   3.408
  113   1HG   ARG  17          1HG       ARG  17   0.938   3.989   5.347
  114   2HG   ARG  17          2HG       ARG  17   2.279   2.845   5.461
  115   1HD   ARG  17          1HD       ARG  17   3.519   4.913   4.263
  116   2HD   ARG  17          2HD       ARG  17   2.300   5.782   5.197
  117    HE   ARG  17           HE       ARG  17   3.213   4.301   7.103
  118   1HH1  ARG  17          2HH1      ARG  17   5.079   5.804   4.555
  119   2HH1  ARG  17          1HH1      ARG  17   6.547   5.856   5.485
  120   1HH2  ARG  17          2HH2      ARG  17   5.116   4.421   8.354
  121   2HH2  ARG  17          1HH2      ARG  17   6.557   5.101   7.660
  122    H    SER  18           H        SER  18   2.976   0.746   3.404
  123    HA   SER  18           HA       SER  18   2.533  -0.260   0.697
  124   1HB   SER  18          1HB       SER  18   4.485  -1.982   1.738
  125   2HB   SER  18          2HB       SER  18   4.695  -0.826   0.423
  126    HG   SER  18           HG       SER  18   5.651   0.565   1.747
  127    H    PHE  19           H        PHE  19   1.114  -1.913   0.723
  128    HA   PHE  19           HA       PHE  19   0.573  -3.138   3.352
  129   1HB   PHE  19          1HB       PHE  19  -1.296  -2.259   1.157
  130   2HB   PHE  19          2HB       PHE  19  -1.801  -3.318   2.466
  131    HD1  PHE  19           1HD      PHE  19  -0.504   0.047   1.689
  132    HD2  PHE  19           2HD      PHE  19  -2.375  -2.468   4.564
  133    HE1  PHE  19           1HE      PHE  19  -0.975   2.013   3.084
  134    HE2  PHE  19           2HE      PHE  19  -2.835  -0.510   5.982
  135    HZ   PHE  19           HZ       PHE  19  -2.130   1.737   5.237
  136    H    SER  20           H        SER  20  -0.664  -5.140   3.242
  137    HA   SER  20           HA       SER  20  -0.171  -6.733   0.819
  138   1HB   SER  20          1HB       SER  20  -0.524  -8.360   3.205
  139   2HB   SER  20          2HB       SER  20   0.775  -8.404   2.011
  140    HG   SER  20           HG       SER  20   1.115  -7.710   4.404
  141    H    ARG  21           H        ARG  21  -2.272  -5.245   2.864
  142    HA   ARG  21           HA       ARG  21  -4.515  -7.076   2.392
  143   1HB   ARG  21          1HB       ARG  21  -4.506  -4.638   4.177
  144   2HB   ARG  21          2HB       ARG  21  -5.667  -5.955   4.169
  145   1HG   ARG  21          1HG       ARG  21  -4.459  -6.501   6.019
  146   2HG   ARG  21          2HG       ARG  21  -3.547  -7.387   4.797
  147   1HD   ARG  21          1HD       ARG  21  -1.719  -6.267   5.365
  148   2HD   ARG  21          2HD       ARG  21  -2.496  -4.766   4.881
  149    HE   ARG  21           HE       ARG  21  -2.755  -4.221   7.087
  150   1HH1  ARG  21          2HH1      ARG  21  -2.011  -7.649   6.841
  151   2HH1  ARG  21          1HH1      ARG  21  -1.806  -7.856   8.555
  152   1HH2  ARG  21          2HH2      ARG  21  -2.472  -4.500   9.350
  153   2HH2  ARG  21          1HH2      ARG  21  -2.082  -6.073   9.979
  154    H    SER  22           H        SER  22  -5.693  -6.636   0.642
  155    HA   SER  22           HA       SER  22  -5.519  -4.147  -0.729
  156   1HB   SER  22          1HB       SER  22  -7.705  -5.483  -1.798
  157   2HB   SER  22          2HB       SER  22  -6.036  -5.617  -2.348
  158    HG   SER  22           HG       SER  22  -7.521  -7.338  -0.683
  159    H    ASP  23           H        ASP  23  -7.665  -5.401   1.681
  160    HA   ASP  23           HA       ASP  23  -9.696  -3.383   1.127
  161   1HB   ASP  23          1HB       ASP  23 -11.129  -4.734   2.224
  162   2HB   ASP  23          2HB       ASP  23  -9.868  -5.946   2.081
  163    H    HIS  24           H        HIS  24  -6.823  -3.505   2.662
  164    HA   HIS  24           HA       HIS  24  -7.703  -1.566   4.672
  165   1HB   HIS  24          1HB       HIS  24  -5.713  -3.578   4.811
  166   2HB   HIS  24          2HB       HIS  24  -4.910  -2.009   4.949
  167    HD1  HIS  24           1HD      HIS  24  -4.497  -2.419   7.526
  168    HD2  HIS  24           2HD      HIS  24  -8.477  -2.260   6.340
  169    HE1  HIS  24           1HE      HIS  24  -5.826  -2.165   9.651
  170    HE2  HIS  24           2HE      HIS  24  -8.242  -2.223   8.923
  171    H    LEU  25           H        LEU  25  -5.192  -1.942   2.210
  172    HA   LEU  25           HA       LEU  25  -4.343   0.751   2.273
  173   1HB   LEU  25          1HB       LEU  25  -2.794  -0.563   1.261
  174   2HB   LEU  25          2HB       LEU  25  -3.994  -1.618   0.544
  175    HG   LEU  25           HG       LEU  25  -4.404   0.625  -0.908
  176   1HD1  LEU  25          1HD1      LEU  25  -2.298   1.452   0.459
  177   2HD1  LEU  25          2HD1      LEU  25  -1.444   0.588  -0.821
  178   3HD1  LEU  25          3HD1      LEU  25  -2.554   1.898  -1.228
  179   1HD2  LEU  25          1HD2      LEU  25  -3.146  -1.932  -1.249
  180   2HD2  LEU  25          2HD2      LEU  25  -4.064  -0.971  -2.410
  181   3HD2  LEU  25          3HD2      LEU  25  -2.330  -0.713  -2.229
  182    H    ALA  26           H        ALA  26  -7.145  -0.749   0.902
  183    HA   ALA  26           HA       ALA  26  -7.641   1.280  -1.079
  184   1HB   ALA  26          1HB       ALA  26  -8.951  -0.441  -1.689
  185   2HB   ALA  26          2HB       ALA  26  -9.049  -1.081  -0.048
  186   3HB   ALA  26          3HB       ALA  26 -10.100   0.247  -0.542
  187    H    LEU  27           H        LEU  27  -8.840   0.658   2.236
  188    HA   LEU  27           HA       LEU  27 -10.389   3.080   2.268
  189   1HB   LEU  27          1HB       LEU  27 -11.020   2.548   4.448
  190   2HB   LEU  27          2HB       LEU  27 -10.853   0.998   3.655
  191    HG   LEU  27           HG       LEU  27  -8.390   1.220   4.760
  192   1HD1  LEU  27          1HD1      LEU  27  -8.651   3.228   5.947
  193   2HD1  LEU  27          2HD1      LEU  27 -10.280   2.805   6.478
  194   3HD1  LEU  27          3HD1      LEU  27  -8.886   1.964   7.154
  195   1HD2  LEU  27          1HD2      LEU  27 -10.466  -0.456   4.974
  196   2HD2  LEU  27          2HD2      LEU  27  -9.034  -0.555   5.999
  197   3HD2  LEU  27          3HD2      LEU  27 -10.488   0.245   6.593
  198    H    HIS  28           H        HIS  28  -7.213   2.081   3.246
  199    HA   HIS  28           HA       HIS  28  -6.411   4.338   4.711
  200   1HB   HIS  28          1HB       HIS  28  -4.987   2.488   4.853
  201   2HB   HIS  28          2HB       HIS  28  -5.009   2.221   3.121
  202    HD1  HIS  28           1HD      HIS  28  -3.115   3.911   5.794
  203    HD2  HIS  28           2HD      HIS  28  -3.265   3.909   1.647
  204    HE1  HIS  28           1HE      HIS  28  -1.017   5.069   4.990
  205    H    ARG  29           H        ARG  29  -6.589   3.656   1.287
  206    HA   ARG  29           HA       ARG  29  -5.289   6.118   0.534
  207   1HB   ARG  29          1HB       ARG  29  -6.456   3.771  -0.903
  208   2HB   ARG  29          2HB       ARG  29  -6.169   5.267  -1.794
  209   1HG   ARG  29          1HG       ARG  29  -3.803   4.984  -0.507
  210   2HG   ARG  29          2HG       ARG  29  -4.263   3.296  -0.745
  211   1HD   ARG  29          1HD       ARG  29  -3.335   3.551  -2.769
  212   2HD   ARG  29          2HD       ARG  29  -4.845   4.367  -3.175
  213    HE   ARG  29           HE       ARG  29  -2.839   6.109  -2.047
  214   1HH1  ARG  29          2HH1      ARG  29  -4.103   4.698  -4.994
  215   2HH1  ARG  29          1HH1      ARG  29  -3.420   5.926  -6.018
  216   1HH2  ARG  29          2HH2      ARG  29  -1.900   7.703  -3.415
  217   2HH2  ARG  29          1HH2      ARG  29  -2.150   7.616  -5.131
  218    H    LYS  30           H        LYS  30  -8.554   4.959   0.940
  219    HA   LYS  30           HA       LYS  30  -9.869   6.989  -0.531
  220   1HB   LYS  30          1HB       LYS  30 -10.619   4.831   1.261
  221   2HB   LYS  30          2HB       LYS  30 -11.594   6.268   1.534
  222   1HG   LYS  30          1HG       LYS  30 -12.866   5.526  -0.131
  223   2HG   LYS  30          2HG       LYS  30 -11.570   6.066  -1.200
  224   1HD   LYS  30          1HD       LYS  30 -11.002   3.463  -0.082
  225   2HD   LYS  30          2HD       LYS  30 -12.549   3.473  -0.932
  226   1HE   LYS  30          2HE       LYS  30 -10.571   4.904  -2.446
  227   2HE   LYS  30          1HE       LYS  30  -9.974   3.297  -2.037
  228   1HZ   LYS  30          1HZ       LYS  30 -12.526   2.829  -2.822
  229   2HZ   LYS  30          2HZ       LYS  30 -11.147   2.635  -3.794
  230   3HZ   LYS  30          3HZ       LYS  30 -12.044   4.072  -3.873
  231    H    ARG  31           H        ARG  31  -8.916   6.710   2.859
  232    HA   ARG  31           HA       ARG  31 -10.051   9.239   3.592
  233   1HB   ARG  31          1HB       ARG  31  -9.156   8.836   5.763
  234   2HB   ARG  31          2HB       ARG  31  -9.736   7.295   5.153
  235   1HG   ARG  31          1HG       ARG  31  -7.285   6.943   4.406
  236   2HG   ARG  31          2HG       ARG  31  -6.929   8.228   5.560
  237   1HD   ARG  31          1HD       ARG  31  -7.924   5.463   6.034
  238   2HD   ARG  31          2HD       ARG  31  -6.697   6.384   6.901
  239    HE   ARG  31           HE       ARG  31  -9.575   6.433   7.339
  240   1HH1  ARG  31          2HH1      ARG  31  -6.426   7.769   8.111
  241   2HH1  ARG  31          1HH1      ARG  31  -6.985   8.625   9.512
  242   1HH2  ARG  31          2HH2      ARG  31 -10.315   7.546   9.194
  243   2HH2  ARG  31          1HH2      ARG  31  -9.191   8.473  10.151
  244    H    HIS  32           H        HIS  32  -7.354   8.436   1.849
  245    HA   HIS  32           HA       HIS  32  -5.424  10.269   2.837
  246   1HB   HIS  32          1HB       HIS  32  -5.731   8.459   0.580
  247   2HB   HIS  32          2HB       HIS  32  -4.910   9.947   0.133
  248    HD1  HIS  32           1HD      HIS  32  -3.223  10.347   2.748
  249    HD2  HIS  32           2HD      HIS  32  -3.665   6.787   0.646
  250    HE1  HIS  32           1HE      HIS  32  -1.193   8.930   3.289
  251    H    MET  33           H        MET  33  -7.924  10.430   0.369
  252    HA   MET  33           HA       MET  33  -7.140  13.110  -0.383
  253   1HB   MET  33          1HB       MET  33  -8.908  12.959  -2.053
  254   2HB   MET  33          2HB       MET  33  -7.847  11.560  -2.125
  255   1HG   MET  33          1HG       MET  33  -9.603  10.458  -0.593
  256   2HG   MET  33          2HG       MET  33 -10.652  11.753  -1.160
  257   1HE   MET  33          1HE       MET  33  -7.862   9.587  -2.506
  258   2HE   MET  33          2HE       MET  33  -8.961   8.219  -2.324
  259   3HE   MET  33          3HE       MET  33  -8.518   8.787  -3.935
  260    H    LEU  34           H        LEU  34  -8.467  12.158   2.263
  261    HA   LEU  34           HA       LEU  34 -10.551  14.228   2.308
  262   1HB   LEU  34          1HB       LEU  34 -10.452  11.498   3.382
  263   2HB   LEU  34          2HB       LEU  34 -11.047  12.700   4.514
  264    HG   LEU  34           HG       LEU  34 -12.465  13.363   2.317
  265   1HD1  LEU  34          1HD1      LEU  34 -11.395  11.317   1.208
  266   2HD1  LEU  34          2HD1      LEU  34 -12.480  10.370   2.226
  267   3HD1  LEU  34          3HD1      LEU  34 -13.141  11.521   1.063
  268   1HD2  LEU  34          1HD2      LEU  34 -14.307  12.597   3.471
  269   2HD2  LEU  34          2HD2      LEU  34 -13.478  11.149   4.043
  270   3HD2  LEU  34          3HD2      LEU  34 -13.104  12.718   4.756
  271    H    VAL  35           H        VAL  35  -8.231  15.297   2.586
  272    HA   VAL  35           HA       VAL  35  -8.029  15.834   5.461
  273    HB   VAL  35           HB       VAL  35  -5.522  16.402   4.896
  274   1HG1  VAL  35          1HG1      VAL  35  -6.872  14.150   6.001
  275   2HG1  VAL  35          2HG1      VAL  35  -5.426  13.594   5.155
  276   3HG1  VAL  35          3HG1      VAL  35  -5.293  14.811   6.424
  277   1HG2  VAL  35          1HG2      VAL  35  -5.195  15.948   2.680
  278   2HG2  VAL  35          2HG2      VAL  35  -4.754  14.388   3.374
  279   3HG2  VAL  35          3HG2      VAL  35  -6.353  14.617   2.666
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  15.172 -11.795   1.383
    2   2H    GLY   1          2H        GLY   1  15.274 -10.953   2.850
    3   3H    GLY   1          3H        GLY   1  13.967 -10.678   1.801
    4   1HA   GLY   1          2HA       GLY   1  14.138 -13.430   2.421
    5   2HA   GLY   1          1HA       GLY   1  14.079 -12.477   3.897
    6    H    SER   2           H        SER   2  12.157 -11.776   4.580
    7    HA   SER   2           HA       SER   2   9.765 -12.407   3.124
    8   1HB   SER   2          1HB       SER   2   9.507 -10.495   5.329
    9   2HB   SER   2          2HB       SER   2   8.749 -12.072   5.117
   10    HG   SER   2           HG       SER   2  10.667 -13.041   5.860
   11    H    THR   3           H        THR   3   8.547 -11.086   1.887
   12    HA   THR   3           HA       THR   3   9.657  -9.016   0.501
   13    HB   THR   3           HB       THR   3   6.759  -8.715   0.811
   14    HG1  THR   3           1HG      THR   3   7.698 -11.186  -0.250
   15   1HG2  THR   3          1HG2      THR   3   8.739  -9.133  -1.400
   16   2HG2  THR   3          2HG2      THR   3   7.638  -7.783  -1.130
   17   3HG2  THR   3          3HG2      THR   3   7.013  -9.330  -1.703
   18    H    GLY   4           H        GLY   4  10.350  -7.113   1.097
   19   1HA   GLY   4          1HA       GLY   4   9.039  -5.706   3.328
   20   2HA   GLY   4          2HA       GLY   4  10.646  -5.347   2.694
   21    H    ILE   5           H        ILE   5   9.900  -5.517  -0.041
   22    HA   ILE   5           HA       ILE   5   8.527  -2.975  -0.399
   23    HB   ILE   5           HB       ILE   5   9.761  -4.860  -2.416
   24   1HG1  ILE   5          2HG1      ILE   5  11.011  -2.344  -2.448
   25   2HG1  ILE   5          1HG1      ILE   5  10.827  -2.758  -0.746
   26   1HG2  ILE   5          1HG2      ILE   5   8.744  -2.069  -2.911
   27   2HG2  ILE   5          2HG2      ILE   5   9.321  -3.238  -4.100
   28   3HG2  ILE   5          3HG2      ILE   5   7.803  -3.521  -3.247
   29   1HD1  ILE   5          1HD1      ILE   5  12.969  -3.492  -1.601
   30   2HD1  ILE   5          2HD1      ILE   5  11.974  -4.874  -1.141
   31   3HD1  ILE   5          3HD1      ILE   5  12.163  -4.450  -2.843
   32    H    LYS   6           H        LYS   6   6.451  -3.324   0.096
   33    HA   LYS   6           HA       LYS   6   5.088  -5.731  -0.550
   34   1HB   LYS   6          1HB       LYS   6   3.804  -3.143   0.351
   35   2HB   LYS   6          2HB       LYS   6   3.221  -4.792   0.595
   36   1HG   LYS   6          1HG       LYS   6   5.493  -5.065   1.877
   37   2HG   LYS   6          2HG       LYS   6   5.346  -3.312   2.037
   38   1HD   LYS   6          1HD       LYS   6   3.142  -3.576   3.031
   39   2HD   LYS   6          2HD       LYS   6   3.245  -5.328   2.831
   40   1HE   LYS   6          2HE       LYS   6   3.807  -4.895   5.074
   41   2HE   LYS   6          1HE       LYS   6   5.321  -5.239   4.242
   42   1HZ   LYS   6          1HZ       LYS   6   4.713  -2.455   4.188
   43   2HZ   LYS   6          2HZ       LYS   6   6.099  -3.236   4.760
   44   3HZ   LYS   6          3HZ       LYS   6   4.762  -3.034   5.782
   45    HA   PRO   7           HA       PRO   7   3.687  -4.680  -4.586
   46   1HB   PRO   7          1HB       PRO   7   1.664  -6.461  -4.835
   47   2HB   PRO   7          2HB       PRO   7   3.363  -6.946  -4.864
   48   1HG   PRO   7          1HG       PRO   7   1.373  -7.115  -2.641
   49   2HG   PRO   7          2HG       PRO   7   2.628  -8.274  -3.113
   50   1HD   PRO   7          1HD       PRO   7   2.861  -6.511  -1.023
   51   2HD   PRO   7          2HD       PRO   7   4.245  -7.190  -1.906
   52    H    PHE   8           H        PHE   8   1.653  -4.603  -1.817
   53    HA   PHE   8           HA       PHE   8  -0.347  -2.957  -3.177
   54   1HB   PHE   8          1HB       PHE   8  -0.343  -4.231  -0.435
   55   2HB   PHE   8          2HB       PHE   8  -1.635  -3.199  -1.041
   56    HD1  PHE   8           1HD      PHE   8  -3.226  -4.989  -0.613
   57    HD2  PHE   8           2HD      PHE   8  -0.015  -5.514  -3.341
   58    HE1  PHE   8           1HE      PHE   8  -4.328  -6.986  -1.519
   59    HE2  PHE   8           2HE      PHE   8  -1.108  -7.503  -4.261
   60    HZ   PHE   8           HZ       PHE   8  -3.273  -8.246  -3.352
   61    H    GLN   9           H        GLN   9   1.895  -1.661  -3.146
   62    HA   GLN   9           HA       GLN   9   2.375  -0.234  -0.701
   63   1HB   GLN   9          1HB       GLN   9   3.818  -0.747  -3.046
   64   2HB   GLN   9          2HB       GLN   9   3.538   0.988  -3.062
   65   1HG   GLN   9          1HG       GLN   9   4.328   0.342  -0.449
   66   2HG   GLN   9          2HG       GLN   9   5.407  -0.540  -1.532
   67   1HE2  GLN   9          1HE2      GLN   9   4.329   2.572  -0.461
   68   2HE2  GLN   9          2HE2      GLN   9   5.594   3.501  -1.206
   69    H    CYS  10           H        CYS  10   1.803   1.801  -0.198
   70    HA   CYS  10           HA       CYS  10  -0.425   2.966  -1.607
   71   1HB   CYS  10          1HB       CYS  10  -0.486   3.243   0.760
   72   2HB   CYS  10          2HB       CYS  10   1.171   3.836   0.803
   73    H    THR  11           H        THR  11  -0.274   4.322  -3.248
   74    HA   THR  11           HA       THR  11   2.337   5.218  -4.077
   75    HB   THR  11           HB       THR  11   0.197   6.173  -5.759
   76    HG1  THR  11           1HG      THR  11   0.165   3.373  -5.714
   77   1HG2  THR  11          1HG2      THR  11   1.685   5.588  -7.321
   78   2HG2  THR  11          2HG2      THR  11   1.701   3.913  -6.770
   79   3HG2  THR  11          3HG2      THR  11   2.758   5.102  -6.009
   80    H    TRP  12           H        TRP  12   0.874   6.521  -1.731
   81    HA   TRP  12           HA       TRP  12   0.518   9.244  -2.727
   82   1HB   TRP  12          1HB       TRP  12  -0.624   7.924  -0.622
   83   2HB   TRP  12          2HB       TRP  12   0.658   8.824   0.189
   84    HD1  TRP  12           HD       TRP  12   0.296  11.385   0.529
   85    HE1  TRP  12           1HE      TRP  12  -1.617  13.020  -0.023
   86    HE3  TRP  12           3HE      TRP  12  -2.520   8.329  -2.422
   87    HZ2  TRP  12           2HZ      TRP  12  -4.021  12.995  -1.507
   88    HZ3  TRP  12           3HZ      TRP  12  -4.615   9.195  -3.362
   89    HH2  TRP  12           HH       TRP  12  -5.357  11.482  -2.912
   90    HA   PRO  13           HA       PRO  13   4.895   9.834  -2.572
   91   1HB   PRO  13          1HB       PRO  13   4.781  12.622  -2.697
   92   2HB   PRO  13          2HB       PRO  13   4.838  11.519  -4.073
   93   1HG   PRO  13          1HG       PRO  13   2.501  12.878  -2.825
   94   2HG   PRO  13          2HG       PRO  13   2.807  12.506  -4.531
   95   1HD   PRO  13          1HD       PRO  13   1.074  11.073  -3.071
   96   2HD   PRO  13          2HD       PRO  13   2.097  10.309  -4.306
   97    H    ASP  14           H        ASP  14   2.925  12.055  -0.584
   98    HA   ASP  14           HA       ASP  14   5.088  12.622   1.202
   99   1HB   ASP  14          1HB       ASP  14   3.031  14.081   0.686
  100   2HB   ASP  14          2HB       ASP  14   2.168  13.052   1.825
  101    H    CYS  15           H        CYS  15   2.992  10.040   0.868
  102    HA   CYS  15           HA       CYS  15   3.082   9.294   3.692
  103   1HB   CYS  15          1HB       CYS  15   0.907   9.306   2.626
  104   2HB   CYS  15          2HB       CYS  15   1.492   8.261   1.341
  105    H    ASP  16           H        ASP  16   3.125   7.382   0.718
  106    HA   ASP  16           HA       ASP  16   4.397   5.681  -0.038
  107   1HB   ASP  16          1HB       ASP  16   6.226   7.463   0.435
  108   2HB   ASP  16          2HB       ASP  16   6.638   6.403   1.773
  109    H    ARG  17           H        ARG  17   2.652   4.735   1.465
  110    HA   ARG  17           HA       ARG  17   3.885   3.161   3.609
  111   1HB   ARG  17          1HB       ARG  17   1.214   4.231   3.104
  112   2HB   ARG  17          2HB       ARG  17   1.182   2.529   3.562
  113   1HG   ARG  17          1HG       ARG  17   0.960   4.071   5.477
  114   2HG   ARG  17          2HG       ARG  17   2.361   3.001   5.602
  115   1HD   ARG  17          1HD       ARG  17   2.998   5.452   4.206
  116   2HD   ARG  17          2HD       ARG  17   2.349   5.775   5.815
  117    HE   ARG  17           HE       ARG  17   4.459   3.777   5.638
  118   1HH1  ARG  17          2HH1      ARG  17   3.566   7.097   6.314
  119   2HH1  ARG  17          1HH1      ARG  17   5.029   7.440   7.192
  120   1HH2  ARG  17          2HH2      ARG  17   6.388   4.226   6.780
  121   2HH2  ARG  17          1HH2      ARG  17   6.616   5.802   7.487
  122    H    SER  18           H        SER  18   2.933   0.848   3.718
  123    HA   SER  18           HA       SER  18   2.568  -0.300   1.058
  124   1HB   SER  18          1HB       SER  18   4.393  -2.003   1.650
  125   2HB   SER  18          2HB       SER  18   4.930  -0.389   1.187
  126    HG   SER  18           HG       SER  18   5.662  -0.054   3.142
  127    H    PHE  19           H        PHE  19   1.174  -1.979   1.067
  128    HA   PHE  19           HA       PHE  19   0.612  -3.270   3.663
  129   1HB   PHE  19          1HB       PHE  19  -1.370  -2.328   1.578
  130   2HB   PHE  19          2HB       PHE  19  -1.787  -3.364   2.937
  131    HD1  PHE  19           1HD      PHE  19  -2.168  -2.486   5.072
  132    HD2  PHE  19           2HD      PHE  19  -0.607  -0.005   1.994
  133    HE1  PHE  19           1HE      PHE  19  -2.552  -0.509   6.478
  134    HE2  PHE  19           2HE      PHE  19  -0.989   1.983   3.379
  135    HZ   PHE  19           HZ       PHE  19  -1.956   1.738   5.626
  136    H    SER  20           H        SER  20  -0.984  -5.162   3.168
  137    HA   SER  20           HA       SER  20  -0.231  -6.575   0.715
  138   1HB   SER  20          1HB       SER  20  -0.775  -8.214   3.139
  139   2HB   SER  20          2HB       SER  20   0.356  -8.500   1.818
  140    HG   SER  20           HG       SER  20   1.878  -7.525   2.902
  141    H    ARG  21           H        ARG  21  -2.525  -5.148   2.517
  142    HA   ARG  21           HA       ARG  21  -4.700  -6.993   1.839
  143   1HB   ARG  21          1HB       ARG  21  -4.908  -4.569   3.625
  144   2HB   ARG  21          2HB       ARG  21  -6.015  -5.928   3.515
  145   1HG   ARG  21          1HG       ARG  21  -4.924  -6.366   5.488
  146   2HG   ARG  21          2HG       ARG  21  -3.982  -7.317   4.341
  147   1HD   ARG  21          1HD       ARG  21  -2.147  -6.159   4.794
  148   2HD   ARG  21          2HD       ARG  21  -2.964  -4.626   4.513
  149    HE   ARG  21           HE       ARG  21  -3.113  -4.342   6.771
  150   1HH1  ARG  21          2HH1      ARG  21  -2.506  -7.748   6.107
  151   2HH1  ARG  21          1HH1      ARG  21  -2.289  -8.155   7.785
  152   1HH2  ARG  21          2HH2      ARG  21  -2.818  -4.894   8.963
  153   2HH2  ARG  21          1HH2      ARG  21  -2.473  -6.541   9.399
  154    H    SER  22           H        SER  22  -5.948  -6.519   0.150
  155    HA   SER  22           HA       SER  22  -5.504  -4.134  -1.341
  156   1HB   SER  22          1HB       SER  22  -7.750  -5.493  -2.375
  157   2HB   SER  22          2HB       SER  22  -6.080  -5.581  -2.942
  158    HG   SER  22           HG       SER  22  -7.409  -7.555  -2.011
  159    H    ASP  23           H        ASP  23  -7.676  -4.863   1.175
  160    HA   ASP  23           HA       ASP  23  -9.506  -2.712   0.302
  161   1HB   ASP  23          1HB       ASP  23 -10.809  -4.666   0.555
  162   2HB   ASP  23          2HB       ASP  23  -9.942  -5.165   2.001
  163    H    HIS  24           H        HIS  24  -7.149  -3.661   2.536
  164    HA   HIS  24           HA       HIS  24  -8.028  -1.710   4.501
  165   1HB   HIS  24          1HB       HIS  24  -6.320  -3.982   4.630
  166   2HB   HIS  24          2HB       HIS  24  -5.394  -2.566   5.132
  167    HD1  HIS  24           1HD      HIS  24  -5.394  -3.316   7.612
  168    HD2  HIS  24           2HD      HIS  24  -9.171  -2.680   6.002
  169    HE1  HIS  24           1HE      HIS  24  -6.970  -3.292   9.572
  170    HE2  HIS  24           2HE      HIS  24  -9.205  -2.663   8.591
  171    H    LEU  25           H        LEU  25  -5.538  -2.063   2.078
  172    HA   LEU  25           HA       LEU  25  -4.412   0.552   2.596
  173   1HB   LEU  25          1HB       LEU  25  -2.778  -0.729   1.653
  174   2HB   LEU  25          2HB       LEU  25  -3.918  -1.725   0.772
  175    HG   LEU  25           HG       LEU  25  -4.181   0.558  -0.622
  176   1HD1  LEU  25          1HD1      LEU  25  -2.240   1.340   1.029
  177   2HD1  LEU  25          2HD1      LEU  25  -1.255   0.605  -0.236
  178   3HD1  LEU  25          3HD1      LEU  25  -2.371   1.910  -0.635
  179   1HD2  LEU  25          1HD2      LEU  25  -3.461  -1.864  -1.239
  180   2HD2  LEU  25          2HD2      LEU  25  -3.052  -0.523  -2.310
  181   3HD2  LEU  25          3HD2      LEU  25  -1.833  -1.182  -1.219
  182    H    ALA  26           H        ALA  26  -7.059  -0.795   0.901
  183    HA   ALA  26           HA       ALA  26  -7.438   1.436  -0.903
  184   1HB   ALA  26          1HB       ALA  26  -8.380  -0.850  -1.331
  185   2HB   ALA  26          2HB       ALA  26  -9.510  -0.555  -0.008
  186   3HB   ALA  26          3HB       ALA  26  -9.545   0.471  -1.439
  187    H    LEU  27           H        LEU  27  -8.572   0.365   2.259
  188    HA   LEU  27           HA       LEU  27 -10.338   2.549   2.757
  189   1HB   LEU  27          1HB       LEU  27  -8.948   0.551   4.524
  190   2HB   LEU  27          2HB       LEU  27  -9.881   1.869   5.205
  191    HG   LEU  27           HG       LEU  27 -10.904  -0.376   3.464
  192   1HD1  LEU  27          1HD1      LEU  27 -12.097   0.182   6.083
  193   2HD1  LEU  27          2HD1      LEU  27 -11.666  -1.351   5.325
  194   3HD1  LEU  27          3HD1      LEU  27 -10.427  -0.385   6.126
  195   1HD2  LEU  27          1HD2      LEU  27 -11.893   2.045   3.190
  196   2HD2  LEU  27          2HD2      LEU  27 -12.953   0.638   3.285
  197   3HD2  LEU  27          3HD2      LEU  27 -12.702   1.649   4.707
  198    H    HIS  28           H        HIS  28  -6.971   1.851   3.470
  199    HA   HIS  28           HA       HIS  28  -6.384   4.129   4.993
  200   1HB   HIS  28          1HB       HIS  28  -4.794   2.438   5.125
  201   2HB   HIS  28          2HB       HIS  28  -4.796   2.165   3.395
  202    HD1  HIS  28           1HD      HIS  28  -2.972   3.923   6.052
  203    HD2  HIS  28           2HD      HIS  28  -3.251   4.056   1.915
  204    HE1  HIS  28           1HE      HIS  28  -0.994   5.273   5.232
  205    H    ARG  29           H        ARG  29  -6.440   3.570   1.534
  206    HA   ARG  29           HA       ARG  29  -5.264   6.113   0.902
  207   1HB   ARG  29          1HB       ARG  29  -6.298   3.778  -0.627
  208   2HB   ARG  29          2HB       ARG  29  -6.139   5.319  -1.468
  209   1HG   ARG  29          1HG       ARG  29  -3.736   5.260  -0.363
  210   2HG   ARG  29          2HG       ARG  29  -4.043   3.521  -0.373
  211   1HD   ARG  29          1HD       ARG  29  -3.365   3.517  -2.494
  212   2HD   ARG  29          2HD       ARG  29  -4.852   4.381  -2.884
  213    HE   ARG  29           HE       ARG  29  -2.718   6.098  -2.019
  214   1HH1  ARG  29          2HH1      ARG  29  -4.216   4.506  -4.748
  215   2HH1  ARG  29          1HH1      ARG  29  -3.455   5.535  -5.925
  216   1HH2  ARG  29          2HH2      ARG  29  -1.721   7.461  -3.572
  217   2HH2  ARG  29          1HH2      ARG  29  -2.079   7.242  -5.261
  218    H    LYS  30           H        LYS  30  -8.470   4.926   1.407
  219    HA   LYS  30           HA       LYS  30  -9.898   6.861  -0.090
  220   1HB   LYS  30          1HB       LYS  30 -10.543   5.015   2.161
  221   2HB   LYS  30          2HB       LYS  30 -11.656   6.338   1.835
  222   1HG   LYS  30          1HG       LYS  30 -12.468   5.353   0.006
  223   2HG   LYS  30          2HG       LYS  30 -10.868   4.858  -0.556
  224   1HD   LYS  30          1HD       LYS  30 -10.930   3.060   1.204
  225   2HD   LYS  30          2HD       LYS  30 -12.622   3.483   1.470
  226   1HE   LYS  30          2HE       LYS  30 -11.998   3.084  -1.339
  227   2HE   LYS  30          1HE       LYS  30 -11.665   1.656  -0.360
  228   1HZ   LYS  30          1HZ       LYS  30 -14.163   2.708  -1.192
  229   2HZ   LYS  30          2HZ       LYS  30 -14.108   2.603   0.500
  230   3HZ   LYS  30          3HZ       LYS  30 -13.823   1.224  -0.443
  231    H    ARG  31           H        ARG  31  -8.607   6.811   3.182
  232    HA   ARG  31           HA       ARG  31  -9.764   9.306   3.956
  233   1HB   ARG  31          1HB       ARG  31  -7.980   7.316   5.144
  234   2HB   ARG  31          2HB       ARG  31  -7.593   8.968   5.609
  235   1HG   ARG  31          1HG       ARG  31 -10.174   9.112   6.049
  236   2HG   ARG  31          2HG       ARG  31 -10.031   7.357   6.171
  237   1HD   ARG  31          1HD       ARG  31  -8.005   8.917   7.640
  238   2HD   ARG  31          2HD       ARG  31  -9.658   9.046   8.242
  239    HE   ARG  31           HE       ARG  31  -9.649   6.601   8.457
  240   1HH1  ARG  31          2HH1      ARG  31  -6.573   8.275   8.248
  241   2HH1  ARG  31          1HH1      ARG  31  -5.677   6.966   8.958
  242   1HH2  ARG  31          2HH2      ARG  31  -8.467   4.903   9.435
  243   2HH2  ARG  31          1HH2      ARG  31  -6.744   5.053   9.629
  244    H    HIS  32           H        HIS  32  -7.167   8.467   1.954
  245    HA   HIS  32           HA       HIS  32  -5.520  10.779   2.354
  246   1HB   HIS  32          1HB       HIS  32  -5.718   8.557   0.374
  247   2HB   HIS  32          2HB       HIS  32  -4.883  10.017  -0.113
  248    HD1  HIS  32           1HD      HIS  32  -3.207  10.679   2.331
  249    HD2  HIS  32           2HD      HIS  32  -3.790   6.823   0.893
  250    HE1  HIS  32           1HE      HIS  32  -1.229   9.305   3.124
  251    H    MET  33           H        MET  33  -8.235   9.843   0.374
  252    HA   MET  33           HA       MET  33  -8.168  12.219  -1.262
  253   1HB   MET  33          1HB       MET  33 -10.452  10.269  -0.993
  254   2HB   MET  33          2HB       MET  33 -10.094  11.332  -2.347
  255   1HG   MET  33          1HG       MET  33  -7.913   9.976  -2.547
  256   2HG   MET  33          2HG       MET  33  -8.742   8.792  -1.537
  257   1HE   MET  33          1HE       MET  33 -10.258   7.296  -2.074
  258   2HE   MET  33          2HE       MET  33 -11.701   8.118  -2.671
  259   3HE   MET  33          3HE       MET  33 -10.912   6.889  -3.661
  260    H    LEU  34           H        LEU  34  -9.386  11.293   1.762
  261    HA   LEU  34           HA       LEU  34 -10.702  12.251   3.326
  262   1HB   LEU  34          1HB       LEU  34  -9.748  14.591   1.737
  263   2HB   LEU  34          2HB       LEU  34 -10.923  14.836   3.017
  264    HG   LEU  34           HG       LEU  34  -8.862  13.231   4.091
  265   1HD1  LEU  34          1HD1      LEU  34  -7.352  15.583   3.507
  266   2HD1  LEU  34          2HD1      LEU  34  -6.946  13.896   3.192
  267   3HD1  LEU  34          3HD1      LEU  34  -7.847  14.824   1.994
  268   1HD2  LEU  34          1HD2      LEU  34  -9.977  14.612   5.559
  269   2HD2  LEU  34          2HD2      LEU  34  -8.456  15.479   5.346
  270   3HD2  LEU  34          3HD2      LEU  34  -9.899  16.004   4.478
  271    H    VAL  35           H        VAL  35 -12.174  10.909   1.730
  272    HA   VAL  35           HA       VAL  35 -14.652  12.347   1.561
  273    HB   VAL  35           HB       VAL  35 -13.359  12.837  -0.617
  274   1HG1  VAL  35          1HG1      VAL  35 -12.689  11.173  -1.912
  275   2HG1  VAL  35          2HG1      VAL  35 -13.253  10.027  -0.695
  276   3HG1  VAL  35          3HG1      VAL  35 -14.331  10.533  -1.995
  277   1HG2  VAL  35          1HG2      VAL  35 -16.157  12.090  -0.208
  278   2HG2  VAL  35          2HG2      VAL  35 -15.457  13.533  -0.944
  279   3HG2  VAL  35          3HG2      VAL  35 -15.633  12.055  -1.892
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  14.428  -9.254   7.438
    2   2H    GLY   1          2H        GLY   1  13.853  -9.574   5.874
    3   3H    GLY   1          3H        GLY   1  13.294  -8.216   6.721
    4   1HA   GLY   1          2HA       GLY   1  16.116  -8.150   6.567
    5   2HA   GLY   1          1HA       GLY   1  15.424  -8.342   4.962
    6    H    SER   2           H        SER   2  16.444  -6.141   4.763
    7    HA   SER   2           HA       SER   2  14.999  -3.979   6.052
    8   1HB   SER   2          1HB       SER   2  16.677  -3.018   3.962
    9   2HB   SER   2          2HB       SER   2  16.944  -2.916   5.703
   10    HG   SER   2           HG       SER   2  18.593  -4.161   5.254
   11    H    THR   3           H        THR   3  14.478  -5.976   3.481
   12    HA   THR   3           HA       THR   3  13.475  -4.250   1.490
   13    HB   THR   3           HB       THR   3  12.001  -6.674   1.460
   14    HG1  THR   3           1HG      THR   3  13.529  -8.207   1.889
   15   1HG2  THR   3          1HG2      THR   3  14.201  -6.964  -0.239
   16   2HG2  THR   3          2HG2      THR   3  13.907  -5.226  -0.162
   17   3HG2  THR   3          3HG2      THR   3  12.615  -6.320  -0.661
   18    H    GLY   4           H        GLY   4  11.771  -2.964   1.582
   19   1HA   GLY   4          1HA       GLY   4   9.518  -3.727   3.342
   20   2HA   GLY   4          2HA       GLY   4  10.168  -2.092   3.334
   21    H    ILE   5           H        ILE   5   9.840  -4.080   0.491
   22    HA   ILE   5           HA       ILE   5   7.977  -2.112  -0.623
   23    HB   ILE   5           HB       ILE   5   9.734  -4.191  -1.925
   24   1HG1  ILE   5          2HG1      ILE   5   9.695  -1.192  -2.284
   25   2HG1  ILE   5          1HG1      ILE   5  10.726  -2.012  -1.113
   26   1HG2  ILE   5          1HG2      ILE   5   7.635  -2.422  -3.162
   27   2HG2  ILE   5          2HG2      ILE   5   8.916  -3.205  -4.086
   28   3HG2  ILE   5          3HG2      ILE   5   7.734  -4.181  -3.214
   29   1HD1  ILE   5          1HD1      ILE   5  11.337  -1.432  -3.737
   30   2HD1  ILE   5          2HD1      ILE   5  12.215  -2.527  -2.668
   31   3HD1  ILE   5          3HD1      ILE   5  10.977  -3.158  -3.752
   32    H    LYS   6           H        LYS   6   5.926  -2.603  -1.030
   33    HA   LYS   6           HA       LYS   6   5.089  -5.433  -0.872
   34   1HB   LYS   6          1HB       LYS   6   3.848  -2.951   0.267
   35   2HB   LYS   6          2HB       LYS   6   2.847  -4.336  -0.133
   36   1HG   LYS   6          1HG       LYS   6   5.112  -4.240   1.843
   37   2HG   LYS   6          2HG       LYS   6   3.391  -4.441   2.186
   38   1HD   LYS   6          1HD       LYS   6   3.772  -6.503   0.500
   39   2HD   LYS   6          2HD       LYS   6   5.380  -6.400   1.219
   40   1HE   LYS   6          2HE       LYS   6   4.231  -6.402   3.471
   41   2HE   LYS   6          1HE       LYS   6   2.748  -6.821   2.615
   42   1HZ   LYS   6          1HZ       LYS   6   5.265  -8.392   2.517
   43   2HZ   LYS   6          2HZ       LYS   6   3.784  -8.815   1.798
   44   3HZ   LYS   6          3HZ       LYS   6   3.925  -8.770   3.490
   45    HA   PRO   7           HA       PRO   7   3.267  -4.730  -4.867
   46   1HB   PRO   7          1HB       PRO   7   1.219  -6.508  -4.825
   47   2HB   PRO   7          2HB       PRO   7   2.906  -7.007  -4.990
   48   1HG   PRO   7          1HG       PRO   7   1.137  -7.070  -2.592
   49   2HG   PRO   7          2HG       PRO   7   2.370  -8.233  -3.111
   50   1HD   PRO   7          1HD       PRO   7   2.733  -6.330  -1.146
   51   2HD   PRO   7          2HD       PRO   7   4.047  -7.081  -2.076
   52    H    PHE   8           H        PHE   8   1.457  -4.545  -1.930
   53    HA   PHE   8           HA       PHE   8  -0.607  -2.875  -3.170
   54   1HB   PHE   8          1HB       PHE   8  -0.457  -4.082  -0.400
   55   2HB   PHE   8          2HB       PHE   8  -1.787  -3.099  -1.004
   56    HD1  PHE   8           1HD      PHE   8  -3.045  -5.148  -0.139
   57    HD2  PHE   8           2HD      PHE   8  -0.499  -5.234  -3.535
   58    HE1  PHE   8           1HE      PHE   8  -4.154  -7.202  -0.909
   59    HE2  PHE   8           2HE      PHE   8  -1.591  -7.284  -4.314
   60    HZ   PHE   8           HZ       PHE   8  -3.431  -8.277  -3.007
   61    H    GLN   9           H        GLN   9   1.814  -1.736  -3.165
   62    HA   GLN   9           HA       GLN   9   2.391  -0.244  -0.798
   63   1HB   GLN   9          1HB       GLN   9   4.123  -0.860  -2.428
   64   2HB   GLN   9          2HB       GLN   9   3.331   0.118  -3.654
   65   1HG   GLN   9          1HG       GLN   9   4.567   1.833  -3.029
   66   2HG   GLN   9          2HG       GLN   9   3.771   1.809  -1.456
   67   1HE2  GLN   9          1HE2      GLN   9   6.080   2.751  -1.177
   68   2HE2  GLN   9          2HE2      GLN   9   7.264   1.607  -0.636
   69    H    CYS  10           H        CYS  10   1.745   1.781  -0.249
   70    HA   CYS  10           HA       CYS  10  -0.438   2.989  -1.685
   71   1HB   CYS  10          1HB       CYS  10  -0.629   3.292   0.634
   72   2HB   CYS  10          2HB       CYS  10   1.086   3.642   0.825
   73    H    THR  11           H        THR  11  -0.258   4.442  -3.257
   74    HA   THR  11           HA       THR  11   2.366   5.223  -4.133
   75    HB   THR  11           HB       THR  11   0.175   6.376  -5.645
   76    HG1  THR  11           1HG      THR  11  -0.741   4.341  -6.264
   77   1HG2  THR  11          1HG2      THR  11   2.214   4.241  -6.294
   78   2HG2  THR  11          2HG2      THR  11   2.426   5.978  -6.527
   79   3HG2  THR  11          3HG2      THR  11   1.213   5.104  -7.463
   80    H    TRP  12           H        TRP  12   0.997   6.506  -1.700
   81    HA   TRP  12           HA       TRP  12   0.672   9.273  -2.485
   82   1HB   TRP  12          1HB       TRP  12  -0.244   7.832  -0.368
   83   2HB   TRP  12          2HB       TRP  12   1.145   8.635   0.361
   84    HD1  TRP  12           HD       TRP  12   0.839  11.096   1.074
   85    HE1  TRP  12           1HE      TRP  12  -1.062  12.819   0.873
   86    HE3  TRP  12           3HE      TRP  12  -2.253   8.494  -2.039
   87    HZ2  TRP  12           2HZ      TRP  12  -3.570  13.023  -0.423
   88    HZ3  TRP  12           3HZ      TRP  12  -4.391   9.507  -2.701
   89    HH2  TRP  12           HH       TRP  12  -5.037  11.727  -1.911
   90    HA   PRO  13           HA       PRO  13   5.013  10.138  -2.579
   91   1HB   PRO  13          1HB       PRO  13   4.170  12.939  -2.107
   92   2HB   PRO  13          2HB       PRO  13   5.106  12.254  -3.438
   93   1HG   PRO  13          1HG       PRO  13   2.570  13.007  -3.786
   94   2HG   PRO  13          2HG       PRO  13   3.221  11.566  -4.588
   95   1HD   PRO  13          1HD       PRO  13   1.456  11.764  -2.183
   96   2HD   PRO  13          2HD       PRO  13   1.414  10.599  -3.523
   97    H    ASP  14           H        ASP  14   3.241  12.183  -0.252
   98    HA   ASP  14           HA       ASP  14   5.486  12.458   1.484
   99   1HB   ASP  14          1HB       ASP  14   3.792  14.202   1.335
  100   2HB   ASP  14          2HB       ASP  14   2.550  13.085   1.886
  101    H    CYS  15           H        CYS  15   2.921  10.196   1.230
  102    HA   CYS  15           HA       CYS  15   3.222   9.193   3.932
  103   1HB   CYS  15          1HB       CYS  15   1.001   9.355   3.020
  104   2HB   CYS  15          2HB       CYS  15   1.463   8.418   1.608
  105    H    ASP  16           H        ASP  16   3.121   7.510   0.797
  106    HA   ASP  16           HA       ASP  16   4.277   5.773  -0.068
  107   1HB   ASP  16          1HB       ASP  16   6.163   7.375   0.136
  108   2HB   ASP  16          2HB       ASP  16   6.532   6.657   1.694
  109    H    ARG  17           H        ARG  17   2.634   4.665   1.325
  110    HA   ARG  17           HA       ARG  17   3.879   3.117   3.478
  111   1HB   ARG  17          1HB       ARG  17   1.213   4.158   2.969
  112   2HB   ARG  17          2HB       ARG  17   1.178   2.442   3.372
  113   1HG   ARG  17          1HG       ARG  17   0.916   3.933   5.313
  114   2HG   ARG  17          2HG       ARG  17   2.308   2.853   5.434
  115   1HD   ARG  17          1HD       ARG  17   3.780   4.647   4.709
  116   2HD   ARG  17          2HD       ARG  17   2.397   5.728   4.537
  117    HE   ARG  17           HE       ARG  17   3.139   4.544   7.119
  118   1HH1  ARG  17          2HH1      ARG  17   2.223   7.268   5.134
  119   2HH1  ARG  17          1HH1      ARG  17   2.320   8.424   6.440
  120   1HH2  ARG  17          2HH2      ARG  17   3.242   6.045   8.855
  121   2HH2  ARG  17          1HH2      ARG  17   2.846   7.716   8.567
  122    H    SER  18           H        SER  18   2.959   0.761   3.559
  123    HA   SER  18           HA       SER  18   2.599  -0.363   0.894
  124   1HB   SER  18          1HB       SER  18   4.508  -2.062   1.972
  125   2HB   SER  18          2HB       SER  18   4.781  -0.878   0.696
  126    HG   SER  18           HG       SER  18   5.581   0.544   2.154
  127    H    PHE  19           H        PHE  19   1.123  -1.928   0.968
  128    HA   PHE  19           HA       PHE  19   0.585  -3.135   3.606
  129   1HB   PHE  19          1HB       PHE  19  -1.328  -2.310   1.419
  130   2HB   PHE  19          2HB       PHE  19  -1.799  -3.286   2.802
  131    HD1  PHE  19           1HD      PHE  19  -0.415   0.018   1.849
  132    HD2  PHE  19           2HD      PHE  19  -2.426  -2.285   4.803
  133    HE1  PHE  19           1HE      PHE  19  -0.873   2.067   3.121
  134    HE2  PHE  19           2HE      PHE  19  -2.869  -0.236   6.096
  135    HZ   PHE  19           HZ       PHE  19  -2.091   1.941   5.253
  136    H    SER  20           H        SER  20  -0.639  -5.157   3.478
  137    HA   SER  20           HA       SER  20  -0.019  -6.753   1.082
  138   1HB   SER  20          1HB       SER  20  -0.551  -8.434   3.350
  139   2HB   SER  20          2HB       SER  20   0.940  -8.301   2.414
  140    HG   SER  20           HG       SER  20   0.952  -7.768   4.797
  141    H    ARG  21           H        ARG  21  -2.253  -5.198   2.878
  142    HA   ARG  21           HA       ARG  21  -4.472  -7.054   2.438
  143   1HB   ARG  21          1HB       ARG  21  -4.471  -4.505   4.064
  144   2HB   ARG  21          2HB       ARG  21  -5.684  -5.772   4.081
  145   1HG   ARG  21          1HG       ARG  21  -4.536  -6.185   6.029
  146   2HG   ARG  21          2HG       ARG  21  -3.736  -7.280   4.905
  147   1HD   ARG  21          1HD       ARG  21  -1.803  -6.339   5.474
  148   2HD   ARG  21          2HD       ARG  21  -2.353  -4.863   4.687
  149    HE   ARG  21           HE       ARG  21  -2.988  -3.997   6.796
  150   1HH1  ARG  21          2HH1      ARG  21  -1.448  -7.149   7.020
  151   2HH1  ARG  21          1HH1      ARG  21  -1.046  -6.969   8.704
  152   1HH2  ARG  21          2HH2      ARG  21  -2.458  -3.776   9.013
  153   2HH2  ARG  21          1HH2      ARG  21  -1.630  -5.071   9.836
  154    H    SER  22           H        SER  22  -5.866  -6.711   0.841
  155    HA   SER  22           HA       SER  22  -5.481  -4.465  -0.893
  156   1HB   SER  22          1HB       SER  22  -7.709  -5.828  -1.815
  157   2HB   SER  22          2HB       SER  22  -6.036  -6.143  -2.279
  158    HG   SER  22           HG       SER  22  -7.695  -7.513  -0.482
  159    H    ASP  23           H        ASP  23  -7.746  -5.182   1.639
  160    HA   ASP  23           HA       ASP  23  -9.541  -3.053   0.681
  161   1HB   ASP  23          1HB       ASP  23 -11.236  -4.322   1.390
  162   2HB   ASP  23          2HB       ASP  23 -10.077  -5.598   1.699
  163    H    HIS  24           H        HIS  24  -7.011  -3.580   2.682
  164    HA   HIS  24           HA       HIS  24  -7.880  -1.597   4.628
  165   1HB   HIS  24          1HB       HIS  24  -5.952  -3.739   4.679
  166   2HB   HIS  24          2HB       HIS  24  -5.206  -2.222   5.186
  167    HD1  HIS  24           1HD      HIS  24  -5.324  -3.931   7.508
  168    HD2  HIS  24           2HD      HIS  24  -8.729  -1.946   6.210
  169    HE1  HIS  24           1HE      HIS  24  -6.836  -3.825   9.508
  170    HE2  HIS  24           2HE      HIS  24  -8.961  -2.764   8.657
  171    H    LEU  25           H        LEU  25  -5.419  -2.000   2.132
  172    HA   LEU  25           HA       LEU  25  -4.373   0.656   2.439
  173   1HB   LEU  25          1HB       LEU  25  -2.776  -0.613   1.475
  174   2HB   LEU  25          2HB       LEU  25  -3.937  -1.704   0.745
  175    HG   LEU  25           HG       LEU  25  -4.315   0.525  -0.766
  176   1HD1  LEU  25          1HD1      LEU  25  -2.436   1.761  -1.075
  177   2HD1  LEU  25          2HD1      LEU  25  -2.249   1.361   0.635
  178   3HD1  LEU  25          3HD1      LEU  25  -1.358   0.451  -0.585
  179   1HD2  LEU  25          1HD2      LEU  25  -3.249  -2.068  -1.069
  180   2HD2  LEU  25          2HD2      LEU  25  -3.874  -0.990  -2.319
  181   3HD2  LEU  25          3HD2      LEU  25  -2.161  -0.957  -1.903
  182    H    ALA  26           H        ALA  26  -6.994  -0.806   0.673
  183    HA   ALA  26           HA       ALA  26  -7.311   1.301  -1.244
  184   1HB   ALA  26          1HB       ALA  26  -9.774  -0.064  -0.591
  185   2HB   ALA  26          2HB       ALA  26  -8.866  -0.044  -2.103
  186   3HB   ALA  26          3HB       ALA  26  -8.455  -1.207  -0.843
  187    H    LEU  27           H        LEU  27  -8.660   0.577   1.950
  188    HA   LEU  27           HA       LEU  27 -10.295   2.947   1.969
  189   1HB   LEU  27          1HB       LEU  27 -11.244   2.130   3.835
  190   2HB   LEU  27          2HB       LEU  27 -10.498   0.635   3.317
  191    HG   LEU  27           HG       LEU  27  -8.511   1.643   4.862
  192   1HD1  LEU  27          1HD1      LEU  27  -9.523   3.553   5.721
  193   2HD1  LEU  27          2HD1      LEU  27 -11.102   2.779   5.852
  194   3HD1  LEU  27          3HD1      LEU  27  -9.814   2.354   6.979
  195   1HD2  LEU  27          1HD2      LEU  27 -10.842   0.116   5.988
  196   2HD2  LEU  27          2HD2      LEU  27  -9.650  -0.597   4.904
  197   3HD2  LEU  27          3HD2      LEU  27  -9.150   0.032   6.475
  198    H    HIS  28           H        HIS  28  -7.123   2.004   3.004
  199    HA   HIS  28           HA       HIS  28  -6.466   4.225   4.612
  200   1HB   HIS  28          1HB       HIS  28  -4.966   2.422   4.711
  201   2HB   HIS  28          2HB       HIS  28  -4.881   2.281   2.966
  202    HD1  HIS  28           1HD      HIS  28  -3.387   4.116   5.849
  203    HD2  HIS  28           2HD      HIS  28  -3.052   3.978   1.717
  204    HE1  HIS  28           1HE      HIS  28  -1.279   5.379   5.251
  205    H    ARG  29           H        ARG  29  -6.549   3.673   1.172
  206    HA   ARG  29           HA       ARG  29  -5.386   6.248   0.559
  207   1HB   ARG  29          1HB       ARG  29  -6.343   3.898  -1.048
  208   2HB   ARG  29          2HB       ARG  29  -5.999   5.444  -1.832
  209   1HG   ARG  29          1HG       ARG  29  -3.747   5.163  -0.397
  210   2HG   ARG  29          2HG       ARG  29  -4.158   3.463  -0.636
  211   1HD   ARG  29          1HD       ARG  29  -3.093   3.685  -2.591
  212   2HD   ARG  29          2HD       ARG  29  -4.560   4.500  -3.127
  213    HE   ARG  29           HE       ARG  29  -2.550   6.192  -1.888
  214   1HH1  ARG  29          2HH1      ARG  29  -4.013   4.996  -4.831
  215   2HH1  ARG  29          1HH1      ARG  29  -3.247   6.186  -5.845
  216   1HH2  ARG  29          2HH2      ARG  29  -1.546   7.769  -3.230
  217   2HH2  ARG  29          1HH2      ARG  29  -1.864   7.760  -4.937
  218    H    LYS  30           H        LYS  30  -8.453   5.059   1.288
  219    HA   LYS  30           HA       LYS  30  -9.978   6.904  -0.304
  220   1HB   LYS  30          1HB       LYS  30 -10.526   4.681   1.420
  221   2HB   LYS  30          2HB       LYS  30 -11.490   6.058   1.931
  222   1HG   LYS  30          1HG       LYS  30 -12.930   5.300   0.396
  223   2HG   LYS  30          2HG       LYS  30 -11.877   6.156  -0.733
  224   1HD   LYS  30          1HD       LYS  30 -10.562   3.845  -0.633
  225   2HD   LYS  30          2HD       LYS  30 -12.179   3.248  -0.245
  226   1HE   LYS  30          2HE       LYS  30 -12.632   3.263  -2.422
  227   2HE   LYS  30          1HE       LYS  30 -12.536   5.023  -2.369
  228   1HZ   LYS  30          1HZ       LYS  30 -10.095   4.768  -2.752
  229   2HZ   LYS  30          2HZ       LYS  30 -11.072   4.287  -4.050
  230   3HZ   LYS  30          3HZ       LYS  30 -10.368   3.116  -3.049
  231    H    ARG  31           H        ARG  31  -8.994   6.672   3.105
  232    HA   ARG  31           HA       ARG  31 -10.150   9.183   3.822
  233   1HB   ARG  31          1HB       ARG  31  -8.866   8.936   5.928
  234   2HB   ARG  31          2HB       ARG  31  -9.828   7.518   5.538
  235   1HG   ARG  31          1HG       ARG  31  -7.388   6.961   4.387
  236   2HG   ARG  31          2HG       ARG  31  -6.961   7.787   5.889
  237   1HD   ARG  31          1HD       ARG  31  -8.963   6.094   6.687
  238   2HD   ARG  31          2HD       ARG  31  -8.129   5.143   5.460
  239    HE   ARG  31           HE       ARG  31  -6.053   5.898   6.873
  240   1HH1  ARG  31          2HH1      ARG  31  -9.215   4.969   8.073
  241   2HH1  ARG  31          1HH1      ARG  31  -8.591   4.272   9.540
  242   1HH2  ARG  31          2HH2      ARG  31  -5.238   4.991   8.807
  243   2HH2  ARG  31          1HH2      ARG  31  -6.332   4.260   9.948
  244    H    HIS  32           H        HIS  32  -7.356   8.304   2.171
  245    HA   HIS  32           HA       HIS  32  -5.560  10.373   2.844
  246   1HB   HIS  32          1HB       HIS  32  -5.853   8.338   0.769
  247   2HB   HIS  32          2HB       HIS  32  -5.126   9.819   0.172
  248    HD1  HIS  32           1HD      HIS  32  -3.461  10.437   2.846
  249    HD2  HIS  32           2HD      HIS  32  -3.596   6.854   0.734
  250    HE1  HIS  32           1HE      HIS  32  -1.308   9.202   3.374
  251    H    MET  33           H        MET  33  -7.993  10.060   0.285
  252    HA   MET  33           HA       MET  33  -7.629  12.828  -0.510
  253   1HB   MET  33          1HB       MET  33  -9.102  12.336  -2.342
  254   2HB   MET  33          2HB       MET  33  -7.943  11.021  -2.199
  255   1HG   MET  33          1HG       MET  33  -9.719   9.831  -0.830
  256   2HG   MET  33          2HG       MET  33 -10.833  11.051  -1.438
  257   1HE   MET  33          1HE       MET  33 -12.452  10.092  -3.301
  258   2HE   MET  33          2HE       MET  33 -11.435  11.437  -3.820
  259   3HE   MET  33          3HE       MET  33 -11.686  10.060  -4.891
  260    H    LEU  34           H        LEU  34  -8.986  11.549   2.005
  261    HA   LEU  34           HA       LEU  34 -10.641  12.021   3.462
  262   1HB   LEU  34          1HB       LEU  34  -9.727  14.455   2.438
  263   2HB   LEU  34          2HB       LEU  34 -11.475  14.587   2.442
  264    HG   LEU  34           HG       LEU  34 -10.433  13.479   4.931
  265   1HD1  LEU  34          1HD1      LEU  34  -9.874  16.234   5.180
  266   2HD1  LEU  34          2HD1      LEU  34  -8.768  14.872   5.355
  267   3HD1  LEU  34          3HD1      LEU  34  -8.980  15.641   3.782
  268   1HD2  LEU  34          1HD2      LEU  34 -12.307  14.409   5.681
  269   2HD2  LEU  34          2HD2      LEU  34 -11.824  16.003   5.098
  270   3HD2  LEU  34          3HD2      LEU  34 -12.659  14.883   4.019
  271    H    VAL  35           H        VAL  35 -11.587  10.355   1.746
  272    HA   VAL  35           HA       VAL  35 -14.281  11.364   1.161
  273    HB   VAL  35           HB       VAL  35 -12.717  10.693  -0.865
  274   1HG1  VAL  35          1HG1      VAL  35 -12.161   8.561  -1.039
  275   2HG1  VAL  35          2HG1      VAL  35 -13.010   8.207   0.467
  276   3HG1  VAL  35          3HG1      VAL  35 -13.867   8.115  -1.072
  277   1HG2  VAL  35          1HG2      VAL  35 -14.946   9.642  -1.889
  278   2HG2  VAL  35          2HG2      VAL  35 -15.615  10.332  -0.409
  279   3HG2  VAL  35          3HG2      VAL  35 -14.765  11.367  -1.558
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1   9.393  -3.318  12.168
    2   2H    GLY   1          2H        GLY   1   8.158  -2.231  11.753
    3   3H    GLY   1          3H        GLY   1   9.719  -2.030  11.116
    4   1HA   GLY   1          2HA       GLY   1   8.327  -4.551  10.609
    5   2HA   GLY   1          1HA       GLY   1   7.831  -3.125   9.708
    6    H    SER   2           H        SER   2   9.910  -5.726   9.759
    7    HA   SER   2           HA       SER   2  12.156  -4.487   8.465
    8   1HB   SER   2          1HB       SER   2  11.967  -7.393   8.219
    9   2HB   SER   2          2HB       SER   2  13.214  -6.404   8.978
   10    HG   SER   2           HG       SER   2  11.501  -7.892  10.216
   11    H    THR   3           H        THR   3   9.205  -4.949   7.279
   12    HA   THR   3           HA       THR   3  10.209  -5.577   4.584
   13    HB   THR   3           HB       THR   3   7.386  -6.180   4.947
   14    HG1  THR   3           1HG      THR   3   9.163  -7.933   6.308
   15   1HG2  THR   3          1HG2      THR   3   8.134  -7.225   3.089
   16   2HG2  THR   3          2HG2      THR   3   8.612  -8.494   4.218
   17   3HG2  THR   3          3HG2      THR   3   9.793  -7.299   3.680
   18    H    GLY   4           H        GLY   4  10.294  -3.597   3.672
   19   1HA   GLY   4          1HA       GLY   4   7.981  -1.812   4.043
   20   2HA   GLY   4          2HA       GLY   4   9.591  -1.296   3.565
   21    H    ILE   5           H        ILE   5   9.319  -3.919   1.793
   22    HA   ILE   5           HA       ILE   5   8.234  -2.438  -0.494
   23    HB   ILE   5           HB       ILE   5  10.008  -4.878  -0.336
   24   1HG1  ILE   5          2HG1      ILE   5  11.159  -2.943  -1.970
   25   2HG1  ILE   5          1HG1      ILE   5  10.429  -2.012  -0.666
   26   1HG2  ILE   5          1HG2      ILE   5   8.426  -5.156  -2.181
   27   2HG2  ILE   5          2HG2      ILE   5   8.886  -3.575  -2.811
   28   3HG2  ILE   5          3HG2      ILE   5  10.066  -4.884  -2.769
   29   1HD1  ILE   5          1HD1      ILE   5  12.459  -4.215  -0.413
   30   2HD1  ILE   5          2HD1      ILE   5  12.686  -2.497  -0.087
   31   3HD1  ILE   5          3HD1      ILE   5  11.636  -3.458   0.952
   32    H    LYS   6           H        LYS   6   6.130  -2.750  -0.750
   33    HA   LYS   6           HA       LYS   6   5.076  -5.504  -0.590
   34   1HB   LYS   6          1HB       LYS   6   3.823  -2.931   0.378
   35   2HB   LYS   6          2HB       LYS   6   2.913  -4.421   0.156
   36   1HG   LYS   6          1HG       LYS   6   5.313  -4.203   1.960
   37   2HG   LYS   6          2HG       LYS   6   3.650  -3.952   2.502
   38   1HD   LYS   6          1HD       LYS   6   3.473  -6.336   1.165
   39   2HD   LYS   6          2HD       LYS   6   5.079  -6.436   1.894
   40   1HE   LYS   6          2HE       LYS   6   4.041  -5.834   4.081
   41   2HE   LYS   6          1HE       LYS   6   2.460  -5.929   3.305
   42   1HZ   LYS   6          1HZ       LYS   6   2.640  -8.023   4.151
   43   2HZ   LYS   6          2HZ       LYS   6   4.325  -8.080   4.009
   44   3HZ   LYS   6          3HZ       LYS   6   3.347  -8.287   2.635
   45    HA   PRO   7           HA       PRO   7   3.502  -4.717  -4.640
   46   1HB   PRO   7          1HB       PRO   7   1.421  -6.440  -4.733
   47   2HB   PRO   7          2HB       PRO   7   3.101  -6.983  -4.765
   48   1HG   PRO   7          1HG       PRO   7   1.150  -6.982  -2.509
   49   2HG   PRO   7          2HG       PRO   7   2.393  -8.176  -2.918
   50   1HD   PRO   7          1HD       PRO   7   2.640  -6.251  -0.954
   51   2HD   PRO   7          2HD       PRO   7   4.003  -7.059  -1.756
   52    H    PHE   8           H        PHE   8   1.370  -4.590  -1.885
   53    HA   PHE   8           HA       PHE   8  -0.519  -2.865  -3.303
   54   1HB   PHE   8          1HB       PHE   8  -0.628  -4.084  -0.536
   55   2HB   PHE   8          2HB       PHE   8  -1.881  -3.060  -1.227
   56    HD1  PHE   8           1HD      PHE   8  -0.332  -5.314  -3.573
   57    HD2  PHE   8           2HD      PHE   8  -3.375  -4.967  -0.623
   58    HE1  PHE   8           1HE      PHE   8  -1.427  -7.314  -4.481
   59    HE2  PHE   8           2HE      PHE   8  -4.475  -6.974  -1.516
   60    HZ   PHE   8           HZ       PHE   8  -3.509  -8.151  -3.452
   61    H    GLN   9           H        GLN   9   1.760  -1.635  -3.197
   62    HA   GLN   9           HA       GLN   9   2.217  -0.231  -0.741
   63   1HB   GLN   9          1HB       GLN   9   4.248  -0.292  -1.696
   64   2HB   GLN   9          2HB       GLN   9   3.579  -0.618  -3.285
   65   1HG   GLN   9          1HG       GLN   9   4.079   1.428  -3.938
   66   2HG   GLN   9          2HG       GLN   9   3.086   2.108  -2.648
   67   1HE2  GLN   9          1HE2      GLN   9   4.084   3.329  -1.228
   68   2HE2  GLN   9          2HE2      GLN   9   5.785   3.319  -0.885
   69    H    CYS  10           H        CYS  10   1.799   1.881  -0.270
   70    HA   CYS  10           HA       CYS  10  -0.320   3.155  -1.787
   71   1HB   CYS  10          1HB       CYS  10  -0.651   3.385   0.538
   72   2HB   CYS  10          2HB       CYS  10   1.046   3.750   0.833
   73    H    THR  11           H        THR  11   0.092   4.501  -3.397
   74    HA   THR  11           HA       THR  11   2.811   5.362  -3.847
   75    HB   THR  11           HB       THR  11   0.813   6.291  -5.767
   76    HG1  THR  11           1HG      THR  11   1.166   3.473  -5.575
   77   1HG2  THR  11          1HG2      THR  11   2.343   5.379  -7.353
   78   2HG2  THR  11          2HG2      THR  11   3.110   4.369  -6.127
   79   3HG2  THR  11          3HG2      THR  11   3.312   6.119  -6.079
   80    H    TRP  12           H        TRP  12   1.164   6.653  -1.698
   81    HA   TRP  12           HA       TRP  12   0.717   9.350  -2.650
   82   1HB   TRP  12          1HB       TRP  12  -0.285   7.960  -0.539
   83   2HB   TRP  12          2HB       TRP  12   0.989   8.880   0.257
   84    HD1  TRP  12           HD       TRP  12   0.501  11.364   0.774
   85    HE1  TRP  12           1HE      TRP  12  -1.480  12.956   0.348
   86    HE3  TRP  12           3HE      TRP  12  -2.224   8.406  -2.378
   87    HZ2  TRP  12           2HZ      TRP  12  -3.887  12.939  -1.138
   88    HZ3  TRP  12           3HZ      TRP  12  -4.359   9.261  -3.248
   89    HH2  TRP  12           HH       TRP  12  -5.171  11.482  -2.641
   90    HA   PRO  13           HA       PRO  13   4.910  10.536  -2.733
   91   1HB   PRO  13          1HB       PRO  13   3.854  13.233  -2.026
   92   2HB   PRO  13          2HB       PRO  13   4.907  12.748  -3.360
   93   1HG   PRO  13          1HG       PRO  13   2.339  13.262  -3.801
   94   2HG   PRO  13          2HG       PRO  13   3.144  11.912  -4.620
   95   1HD   PRO  13          1HD       PRO  13   1.243  11.871  -2.318
   96   2HD   PRO  13          2HD       PRO  13   1.413  10.729  -3.666
   97    H    ASP  14           H        ASP  14   3.221  12.325  -0.125
   98    HA   ASP  14           HA       ASP  14   5.657  12.405   1.419
   99   1HB   ASP  14          1HB       ASP  14   4.602  13.962   2.768
  100   2HB   ASP  14          2HB       ASP  14   3.737  14.186   1.251
  101    H    CYS  15           H        CYS  15   3.077  10.259   1.137
  102    HA   CYS  15           HA       CYS  15   3.277   9.244   3.845
  103   1HB   CYS  15          1HB       CYS  15   1.068   9.482   2.891
  104   2HB   CYS  15          2HB       CYS  15   1.522   8.518   1.496
  105    H    ASP  16           H        ASP  16   3.056   7.512   0.763
  106    HA   ASP  16           HA       ASP  16   4.157   5.743  -0.108
  107   1HB   ASP  16          1HB       ASP  16   6.125   7.415   0.334
  108   2HB   ASP  16          2HB       ASP  16   6.558   6.239   1.567
  109    H    ARG  17           H        ARG  17   2.487   4.759   1.358
  110    HA   ARG  17           HA       ARG  17   3.666   3.186   3.526
  111   1HB   ARG  17          1HB       ARG  17   1.021   4.239   2.900
  112   2HB   ARG  17          2HB       ARG  17   0.960   2.533   3.333
  113   1HG   ARG  17          1HG       ARG  17   0.639   4.170   5.203
  114   2HG   ARG  17          2HG       ARG  17   1.881   2.943   5.456
  115   1HD   ARG  17          1HD       ARG  17   3.346   4.914   4.322
  116   2HD   ARG  17          2HD       ARG  17   2.126   5.863   5.174
  117    HE   ARG  17           HE       ARG  17   2.859   4.175   7.081
  118   1HH1  ARG  17          2HH1      ARG  17   4.807   6.058   4.850
  119   2HH1  ARG  17          1HH1      ARG  17   6.170   6.159   5.922
  120   1HH2  ARG  17          2HH2      ARG  17   4.651   4.326   8.507
  121   2HH2  ARG  17          1HH2      ARG  17   6.075   5.195   8.006
  122    H    SER  18           H        SER  18   2.649   0.826   3.559
  123    HA   SER  18           HA       SER  18   2.421  -0.303   0.890
  124   1HB   SER  18          1HB       SER  18   4.359  -1.939   2.071
  125   2HB   SER  18          2HB       SER  18   4.607  -0.809   0.740
  126    HG   SER  18           HG       SER  18   5.547   0.571   2.049
  127    H    PHE  19           H        PHE  19   0.992  -1.923   0.917
  128    HA   PHE  19           HA       PHE  19   0.428  -3.210   3.514
  129   1HB   PHE  19          1HB       PHE  19  -1.477  -2.362   1.324
  130   2HB   PHE  19          2HB       PHE  19  -1.940  -3.373   2.684
  131    HD1  PHE  19           1HD      PHE  19  -0.432  -0.058   1.917
  132    HD2  PHE  19           2HD      PHE  19  -2.784  -2.394   4.585
  133    HE1  PHE  19           1HE      PHE  19  -0.909   1.957   3.238
  134    HE2  PHE  19           2HE      PHE  19  -3.246  -0.387   5.931
  135    HZ   PHE  19           HZ       PHE  19  -2.304   1.791   5.255
  136    H    SER  20           H        SER  20  -0.909  -5.229   3.189
  137    HA   SER  20           HA       SER  20  -0.155  -6.688   0.750
  138   1HB   SER  20          1HB       SER  20  -0.620  -8.659   2.640
  139   2HB   SER  20          2HB       SER  20   0.967  -8.117   2.094
  140    HG   SER  20           HG       SER  20  -0.075  -7.942   4.522
  141    H    ARG  21           H        ARG  21  -2.499  -5.483   2.812
  142    HA   ARG  21           HA       ARG  21  -4.603  -7.280   1.850
  143   1HB   ARG  21          1HB       ARG  21  -5.036  -5.136   3.904
  144   2HB   ARG  21          2HB       ARG  21  -5.892  -6.658   3.692
  145   1HG   ARG  21          1HG       ARG  21  -4.491  -7.764   5.022
  146   2HG   ARG  21          2HG       ARG  21  -3.072  -7.001   4.308
  147   1HD   ARG  21          1HD       ARG  21  -4.732  -5.233   5.967
  148   2HD   ARG  21          2HD       ARG  21  -3.964  -6.555   6.839
  149    HE   ARG  21           HE       ARG  21  -2.697  -4.222   5.775
  150   1HH1  ARG  21          2HH1      ARG  21  -2.191  -7.567   6.688
  151   2HH1  ARG  21          1HH1      ARG  21  -0.466  -7.400   6.825
  152   1HH2  ARG  21          2HH2      ARG  21  -0.416  -4.003   5.993
  153   2HH2  ARG  21          1HH2      ARG  21   0.533  -5.395   6.425
  154    H    SER  22           H        SER  22  -6.031  -6.639   0.427
  155    HA   SER  22           HA       SER  22  -5.691  -4.124  -0.895
  156   1HB   SER  22          1HB       SER  22  -8.032  -5.528  -1.777
  157   2HB   SER  22          2HB       SER  22  -6.490  -5.326  -2.608
  158    HG   SER  22           HG       SER  22  -7.041  -7.543  -2.218
  159    H    ASP  23           H        ASP  23  -7.880  -5.387   1.495
  160    HA   ASP  23           HA       ASP  23  -9.861  -3.298   1.022
  161   1HB   ASP  23          1HB       ASP  23 -10.248  -5.772   1.863
  162   2HB   ASP  23          2HB       ASP  23  -9.900  -5.064   3.437
  163    H    HIS  24           H        HIS  24  -6.963  -3.613   2.597
  164    HA   HIS  24           HA       HIS  24  -7.767  -1.705   4.660
  165   1HB   HIS  24          1HB       HIS  24  -5.807  -3.817   4.579
  166   2HB   HIS  24          2HB       HIS  24  -5.075  -2.293   5.093
  167    HD1  HIS  24           1HD      HIS  24  -4.868  -3.357   7.525
  168    HD2  HIS  24           2HD      HIS  24  -8.744  -2.741   6.146
  169    HE1  HIS  24           1HE      HIS  24  -6.352  -3.560   9.546
  170    HE2  HIS  24           2HE      HIS  24  -8.662  -2.979   8.719
  171    H    LEU  25           H        LEU  25  -5.491  -2.038   2.014
  172    HA   LEU  25           HA       LEU  25  -4.455   0.626   2.334
  173   1HB   LEU  25          1HB       LEU  25  -2.906  -0.717   1.317
  174   2HB   LEU  25          2HB       LEU  25  -4.115  -1.648   0.455
  175    HG   LEU  25           HG       LEU  25  -4.347   0.755  -0.789
  176   1HD1  LEU  25          1HD1      LEU  25  -1.394   0.469  -0.492
  177   2HD1  LEU  25          2HD1      LEU  25  -2.341   1.866  -1.006
  178   3HD1  LEU  25          3HD1      LEU  25  -2.313   1.395   0.694
  179   1HD2  LEU  25          1HD2      LEU  25  -3.943  -0.590  -2.506
  180   2HD2  LEU  25          2HD2      LEU  25  -2.246  -0.730  -2.045
  181   3HD2  LEU  25          3HD2      LEU  25  -3.439  -1.842  -1.369
  182    H    ALA  26           H        ALA  26  -7.235  -0.789   0.896
  183    HA   ALA  26           HA       ALA  26  -7.762   1.390  -0.943
  184   1HB   ALA  26          1HB       ALA  26  -9.217  -1.048  -0.060
  185   2HB   ALA  26          2HB       ALA  26 -10.175   0.308  -0.653
  186   3HB   ALA  26          3HB       ALA  26  -8.944  -0.419  -1.686
  187    H    LEU  27           H        LEU  27  -8.526   0.462   2.357
  188    HA   LEU  27           HA       LEU  27 -10.369   2.588   2.902
  189   1HB   LEU  27          1HB       LEU  27  -8.698   0.789   4.653
  190   2HB   LEU  27          2HB       LEU  27  -9.672   2.079   5.324
  191    HG   LEU  27           HG       LEU  27 -10.654  -0.350   3.836
  192   1HD1  LEU  27          1HD1      LEU  27 -11.931  -0.526   6.090
  193   2HD1  LEU  27          2HD1      LEU  27 -10.242  -1.029   6.007
  194   3HD1  LEU  27          3HD1      LEU  27 -10.661   0.542   6.688
  195   1HD2  LEU  27          1HD2      LEU  27 -12.624   0.622   3.463
  196   2HD2  LEU  27          2HD2      LEU  27 -12.675   1.313   5.086
  197   3HD2  LEU  27          3HD2      LEU  27 -11.822   2.158   3.794
  198    H    HIS  28           H        HIS  28  -6.974   1.980   3.531
  199    HA   HIS  28           HA       HIS  28  -6.283   4.361   4.769
  200   1HB   HIS  28          1HB       HIS  28  -4.778   2.537   4.835
  201   2HB   HIS  28          2HB       HIS  28  -4.750   2.405   3.087
  202    HD1  HIS  28           1HD      HIS  28  -3.272   4.391   5.913
  203    HD2  HIS  28           2HD      HIS  28  -2.966   4.039   1.789
  204    HE1  HIS  28           1HE      HIS  28  -1.209   5.677   5.226
  205    H    ARG  29           H        ARG  29  -6.312   3.544   1.323
  206    HA   ARG  29           HA       ARG  29  -5.218   6.067   0.561
  207   1HB   ARG  29          1HB       ARG  29  -6.276   3.678  -0.897
  208   2HB   ARG  29          2HB       ARG  29  -5.957   5.172  -1.779
  209   1HG   ARG  29          1HG       ARG  29  -3.648   4.997  -0.483
  210   2HG   ARG  29          2HG       ARG  29  -4.066   3.283  -0.492
  211   1HD   ARG  29          1HD       ARG  29  -3.138   3.241  -2.523
  212   2HD   ARG  29          2HD       ARG  29  -4.609   4.047  -3.066
  213    HE   ARG  29           HE       ARG  29  -2.724   5.950  -2.132
  214   1HH1  ARG  29          2HH1      ARG  29  -3.355   3.792  -4.825
  215   2HH1  ARG  29          1HH1      ARG  29  -2.518   4.786  -5.983
  216   1HH2  ARG  29          2HH2      ARG  29  -1.624   7.270  -3.670
  217   2HH2  ARG  29          1HH2      ARG  29  -1.568   6.784  -5.336
  218    H    LYS  30           H        LYS  30  -8.451   4.871   1.031
  219    HA   LYS  30           HA       LYS  30  -9.697   6.999  -0.463
  220   1HB   LYS  30          1HB       LYS  30 -11.515   5.728  -0.254
  221   2HB   LYS  30          2HB       LYS  30 -10.555   4.575   0.657
  222   1HG   LYS  30          1HG       LYS  30 -11.304   6.608   2.456
  223   2HG   LYS  30          2HG       LYS  30 -12.742   6.171   1.529
  224   1HD   LYS  30          1HD       LYS  30 -12.474   3.858   2.094
  225   2HD   LYS  30          2HD       LYS  30 -10.915   4.183   2.856
  226   1HE   LYS  30          2HE       LYS  30 -12.117   4.254   4.755
  227   2HE   LYS  30          1HE       LYS  30 -12.528   5.882   4.222
  228   1HZ   LYS  30          1HZ       LYS  30 -14.606   5.237   3.536
  229   2HZ   LYS  30          2HZ       LYS  30 -14.394   4.242   4.892
  230   3HZ   LYS  30          3HZ       LYS  30 -14.174   3.612   3.335
  231    H    ARG  31           H        ARG  31  -8.481   6.468   2.705
  232    HA   ARG  31           HA       ARG  31  -9.732   8.706   3.975
  233   1HB   ARG  31          1HB       ARG  31  -7.659   6.713   4.644
  234   2HB   ARG  31          2HB       ARG  31  -7.479   8.275   5.432
  235   1HG   ARG  31          1HG       ARG  31 -10.171   7.058   5.478
  236   2HG   ARG  31          2HG       ARG  31  -8.920   6.295   6.462
  237   1HD   ARG  31          1HD       ARG  31  -8.444   8.767   7.197
  238   2HD   ARG  31          2HD       ARG  31 -10.105   9.019   6.667
  239    HE   ARG  31           HE       ARG  31  -9.906   6.767   8.396
  240   1HH1  ARG  31          2HH1      ARG  31  -9.999  10.272   8.351
  241   2HH1  ARG  31          1HH1      ARG  31 -10.593  10.397   9.981
  242   1HH2  ARG  31          2HH2      ARG  31 -10.672   6.945  10.553
  243   2HH2  ARG  31          1HH2      ARG  31 -10.971   8.524  11.222
  244    H    HIS  32           H        HIS  32  -7.131   8.286   1.807
  245    HA   HIS  32           HA       HIS  32  -5.638  10.626   2.481
  246   1HB   HIS  32          1HB       HIS  32  -5.646   8.583   0.322
  247   2HB   HIS  32          2HB       HIS  32  -4.906  10.128  -0.044
  248    HD1  HIS  32           1HD      HIS  32  -3.333  10.685   2.546
  249    HD2  HIS  32           2HD      HIS  32  -3.589   6.970   0.695
  250    HE1  HIS  32           1HE      HIS  32  -1.282   9.375   3.261
  251    H    MET  33           H        MET  33  -7.955   9.748  -0.063
  252    HA   MET  33           HA       MET  33  -7.959  12.323  -1.260
  253   1HB   MET  33          1HB       MET  33  -9.797  11.515  -2.616
  254   2HB   MET  33          2HB       MET  33  -8.543  10.287  -2.511
  255   1HG   MET  33          1HG       MET  33  -9.842   9.170  -0.749
  256   2HG   MET  33          2HG       MET  33 -11.125  10.353  -0.979
  257   1HE   MET  33          1HE       MET  33 -13.210   7.893  -2.615
  258   2HE   MET  33          2HE       MET  33 -12.077   7.079  -1.536
  259   3HE   MET  33          3HE       MET  33 -12.704   8.673  -1.114
  260    H    LEU  34           H        LEU  34  -9.461  11.056   1.504
  261    HA   LEU  34           HA       LEU  34 -11.243  13.392   1.609
  262   1HB   LEU  34          1HB       LEU  34 -11.853  10.572   1.940
  263   2HB   LEU  34          2HB       LEU  34 -12.319  11.506   3.350
  264    HG   LEU  34           HG       LEU  34 -13.150  12.765   0.852
  265   1HD1  LEU  34          1HD1      LEU  34 -15.084  10.809   1.028
  266   2HD1  LEU  34          2HD1      LEU  34 -13.850  10.943  -0.225
  267   3HD1  LEU  34          3HD1      LEU  34 -13.574   9.908   1.176
  268   1HD2  LEU  34          1HD2      LEU  34 -14.011  12.447   3.575
  269   2HD2  LEU  34          2HD2      LEU  34 -14.498  13.649   2.380
  270   3HD2  LEU  34          3HD2      LEU  34 -15.338  12.100   2.467
  271    H    VAL  35           H        VAL  35  -9.269  14.329   2.564
  272    HA   VAL  35           HA       VAL  35  -8.728  13.460   5.304
  273    HB   VAL  35           HB       VAL  35  -7.000  15.454   5.053
  274   1HG1  VAL  35          1HG1      VAL  35  -6.063  13.430   5.534
  275   2HG1  VAL  35          2HG1      VAL  35  -6.857  12.615   4.187
  276   3HG1  VAL  35          3HG1      VAL  35  -5.467  13.660   3.889
  277   1HG2  VAL  35          1HG2      VAL  35  -7.071  14.517   2.205
  278   2HG2  VAL  35          2HG2      VAL  35  -7.991  15.930   2.724
  279   3HG2  VAL  35          3HG2      VAL  35  -6.237  15.906   2.900
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  14.122 -13.593   0.335
    2   2H    GLY   1          2H        GLY   1  14.991 -13.594  -1.120
    3   3H    GLY   1          3H        GLY   1  13.500 -12.790  -1.022
    4   1HA   GLY   1          2HA       GLY   1  16.024 -12.044   0.344
    5   2HA   GLY   1          1HA       GLY   1  15.233 -11.162  -0.955
    6    H    SER   2           H        SER   2  15.258  -9.331   0.500
    7    HA   SER   2           HA       SER   2  13.661  -9.427   2.894
    8   1HB   SER   2          1HB       SER   2  14.017  -6.742   2.094
    9   2HB   SER   2          2HB       SER   2  14.941  -7.624   3.312
   10    HG   SER   2           HG       SER   2  15.593  -6.982   0.684
   11    H    THR   3           H        THR   3  11.533  -8.899   3.098
   12    HA   THR   3           HA       THR   3  10.088  -8.363   0.607
   13    HB   THR   3           HB       THR   3   8.553  -8.934   3.068
   14    HG1  THR   3           1HG      THR   3   9.832 -11.123   1.799
   15   1HG2  THR   3          1HG2      THR   3   7.686 -10.675   1.232
   16   2HG2  THR   3          2HG2      THR   3   8.435  -9.494   0.160
   17   3HG2  THR   3          3HG2      THR   3   7.160  -8.991   1.269
   18    H    GLY   4           H        GLY   4  11.348  -6.135   1.421
   19   1HA   GLY   4          1HA       GLY   4   9.623  -4.533   3.119
   20   2HA   GLY   4          2HA       GLY   4  11.060  -3.982   2.264
   21    H    ILE   5           H        ILE   5  10.153  -5.152  -0.248
   22    HA   ILE   5           HA       ILE   5   8.475  -2.974  -1.138
   23    HB   ILE   5           HB       ILE   5   9.869  -5.251  -2.521
   24   1HG1  ILE   5          2HG1      ILE   5  10.033  -2.248  -2.867
   25   2HG1  ILE   5          1HG1      ILE   5  11.149  -3.217  -1.915
   26   1HG2  ILE   5          1HG2      ILE   5   8.975  -4.402  -4.674
   27   2HG2  ILE   5          2HG2      ILE   5   7.716  -5.073  -3.636
   28   3HG2  ILE   5          3HG2      ILE   5   7.904  -3.325  -3.778
   29   1HD1  ILE   5          1HD1      ILE   5  12.371  -3.608  -3.708
   30   2HD1  ILE   5          2HD1      ILE   5  10.982  -4.309  -4.538
   31   3HD1  ILE   5          3HD1      ILE   5  11.290  -2.577  -4.646
   32    H    LYS   6           H        LYS   6   6.361  -3.069  -0.993
   33    HA   LYS   6           HA       LYS   6   5.019  -5.694  -0.985
   34   1HB   LYS   6          1HB       LYS   6   3.814  -3.092  -0.043
   35   2HB   LYS   6          2HB       LYS   6   3.316  -4.736   0.346
   36   1HG   LYS   6          1HG       LYS   6   5.978  -4.496   1.208
   37   2HG   LYS   6          2HG       LYS   6   5.144  -3.032   1.730
   38   1HD   LYS   6          1HD       LYS   6   3.687  -4.184   3.085
   39   2HD   LYS   6          2HD       LYS   6   3.832  -5.673   2.148
   40   1HE   LYS   6          2HE       LYS   6   5.089  -6.301   3.926
   41   2HE   LYS   6          1HE       LYS   6   6.349  -5.476   3.009
   42   1HZ   LYS   6          1HZ       LYS   6   4.733  -3.947   4.933
   43   2HZ   LYS   6          2HZ       LYS   6   6.327  -3.681   4.414
   44   3HZ   LYS   6          3HZ       LYS   6   5.986  -4.935   5.503
   45    HA   PRO   7           HA       PRO   7   3.288  -4.607  -4.875
   46   1HB   PRO   7          1HB       PRO   7   1.163  -6.286  -4.934
   47   2HB   PRO   7          2HB       PRO   7   2.827  -6.853  -5.106
   48   1HG   PRO   7          1HG       PRO   7   1.028  -6.935  -2.730
   49   2HG   PRO   7          2HG       PRO   7   2.204  -8.136  -3.289
   50   1HD   PRO   7          1HD       PRO   7   2.645  -6.355  -1.240
   51   2HD   PRO   7          2HD       PRO   7   3.932  -7.118  -2.202
   52    H    PHE   8           H        PHE   8   1.271  -4.645  -2.026
   53    HA   PHE   8           HA       PHE   8  -0.665  -2.827  -3.231
   54   1HB   PHE   8          1HB       PHE   8  -0.584  -4.156  -0.516
   55   2HB   PHE   8          2HB       PHE   8  -1.878  -3.098  -1.069
   56    HD1  PHE   8           1HD      PHE   8  -0.569  -5.209  -3.659
   57    HD2  PHE   8           2HD      PHE   8  -3.277  -5.074  -0.390
   58    HE1  PHE   8           1HE      PHE   8  -1.738  -7.172  -4.558
   59    HE2  PHE   8           2HE      PHE   8  -4.454  -7.044  -1.272
   60    HZ   PHE   8           HZ       PHE   8  -3.687  -8.099  -3.366
   61    H    GLN   9           H        GLN   9   1.768  -1.738  -3.148
   62    HA   GLN   9           HA       GLN   9   2.285  -0.307  -0.721
   63   1HB   GLN   9          1HB       GLN   9   4.160  -0.871  -2.073
   64   2HB   GLN   9          2HB       GLN   9   3.418  -0.194  -3.514
   65   1HG   GLN   9          1HG       GLN   9   3.576   1.919  -1.698
   66   2HG   GLN   9          2HG       GLN   9   5.108   1.058  -1.560
   67   1HE2  GLN   9          1HE2      GLN   9   3.622   3.493  -3.106
   68   2HE2  GLN   9          2HE2      GLN   9   4.540   3.533  -4.578
   69    H    CYS  10           H        CYS  10   1.674   1.719  -0.187
   70    HA   CYS  10           HA       CYS  10  -0.375   2.995  -1.755
   71   1HB   CYS  10          1HB       CYS  10  -0.693   3.240   0.572
   72   2HB   CYS  10          2HB       CYS  10   0.989   3.687   0.841
   73    H    THR  11           H        THR  11  -0.088   4.515  -3.231
   74    HA   THR  11           HA       THR  11   2.629   5.226  -3.901
   75    HB   THR  11           HB       THR  11   0.437   6.302  -5.550
   76    HG1  THR  11           1HG      THR  11   0.879   3.478  -5.473
   77   1HG2  THR  11          1HG2      THR  11   2.797   4.535  -6.210
   78   2HG2  THR  11          2HG2      THR  11   2.820   6.298  -6.232
   79   3HG2  THR  11          3HG2      THR  11   1.787   5.415  -7.357
   80    H    TRP  12           H        TRP  12   0.794   6.575  -1.684
   81    HA   TRP  12           HA       TRP  12   0.652   9.303  -2.559
   82   1HB   TRP  12          1HB       TRP  12  -0.497   7.954  -0.507
   83   2HB   TRP  12          2HB       TRP  12   0.810   8.777   0.345
   84    HD1  TRP  12           HD       TRP  12   0.503  11.282   0.856
   85    HE1  TRP  12           1HE      TRP  12  -1.333  13.024   0.385
   86    HE3  TRP  12           3HE      TRP  12  -2.333   8.557  -2.374
   87    HZ2  TRP  12           2HZ      TRP  12  -3.702  13.194  -1.162
   88    HZ3  TRP  12           3HZ      TRP  12  -4.369   9.560  -3.306
   89    HH2  TRP  12           HH       TRP  12  -5.043  11.836  -2.713
   90    HA   PRO  13           HA       PRO  13   4.941  10.170  -2.488
   91   1HB   PRO  13          1HB       PRO  13   4.025  12.964  -2.028
   92   2HB   PRO  13          2HB       PRO  13   5.105  12.319  -3.267
   93   1HG   PRO  13          1HG       PRO  13   2.603  12.981  -3.865
   94   2HG   PRO  13          2HG       PRO  13   3.358  11.541  -4.576
   95   1HD   PRO  13          1HD       PRO  13   1.346  11.744  -2.380
   96   2HD   PRO  13          2HD       PRO  13   1.506  10.519  -3.654
   97    H    ASP  14           H        ASP  14   3.218  12.291  -0.180
   98    HA   ASP  14           HA       ASP  14   5.500  12.361   1.563
   99   1HB   ASP  14          1HB       ASP  14   4.437  14.062   2.670
  100   2HB   ASP  14          2HB       ASP  14   3.582  14.147   1.136
  101    H    CYS  15           H        CYS  15   3.194  10.082   1.101
  102    HA   CYS  15           HA       CYS  15   3.090   9.257   3.905
  103   1HB   CYS  15          1HB       CYS  15   0.945   9.349   2.839
  104   2HB   CYS  15          2HB       CYS  15   1.526   8.423   1.462
  105    H    ASP  16           H        ASP  16   3.174   7.440   0.867
  106    HA   ASP  16           HA       ASP  16   4.446   5.753   0.096
  107   1HB   ASP  16          1HB       ASP  16   6.293   7.427   0.642
  108   2HB   ASP  16          2HB       ASP  16   6.566   6.456   2.080
  109    H    ARG  17           H        ARG  17   2.580   4.835   1.522
  110    HA   ARG  17           HA       ARG  17   3.642   3.132   3.642
  111   1HB   ARG  17          1HB       ARG  17   1.041   4.239   2.981
  112   2HB   ARG  17          2HB       ARG  17   0.943   2.500   3.259
  113   1HG   ARG  17          1HG       ARG  17   0.534   3.745   5.308
  114   2HG   ARG  17          2HG       ARG  17   2.016   2.790   5.438
  115   1HD   ARG  17          1HD       ARG  17   2.468   5.448   4.359
  116   2HD   ARG  17          2HD       ARG  17   1.760   5.482   5.974
  117    HE   ARG  17           HE       ARG  17   3.939   3.654   5.832
  118   1HH1  ARG  17          2HH1      ARG  17   3.184   7.069   6.052
  119   2HH1  ARG  17          1HH1      ARG  17   4.698   7.492   6.792
  120   1HH2  ARG  17          2HH2      ARG  17   5.932   4.204   6.804
  121   2HH2  ARG  17          1HH2      ARG  17   6.244   5.853   7.255
  122    H    SER  18           H        SER  18   2.707   0.818   3.554
  123    HA   SER  18           HA       SER  18   2.518  -0.251   0.864
  124   1HB   SER  18          1HB       SER  18   4.522  -1.818   2.150
  125   2HB   SER  18          2HB       SER  18   4.659  -0.877   0.668
  126    HG   SER  18           HG       SER  18   5.440   0.830   1.790
  127    H    PHE  19           H        PHE  19   1.175  -1.959   0.841
  128    HA   PHE  19           HA       PHE  19   0.600  -3.253   3.432
  129   1HB   PHE  19          1HB       PHE  19  -1.290  -2.334   1.262
  130   2HB   PHE  19          2HB       PHE  19  -1.773  -3.417   2.561
  131    HD1  PHE  19           1HD      PHE  19  -2.259  -2.613   4.706
  132    HD2  PHE  19           2HD      PHE  19  -0.598  -0.024   1.775
  133    HE1  PHE  19           1HE      PHE  19  -2.717  -0.690   6.159
  134    HE2  PHE  19           2HE      PHE  19  -1.061   1.919   3.204
  135    HZ   PHE  19           HZ       PHE  19  -2.114   1.593   5.409
  136    H    SER  20           H        SER  20  -0.778  -5.226   3.101
  137    HA   SER  20           HA       SER  20  -0.203  -6.648   0.605
  138   1HB   SER  20          1HB       SER  20  -0.513  -8.649   2.544
  139   2HB   SER  20          2HB       SER  20   0.986  -8.197   1.727
  140    HG   SER  20           HG       SER  20   0.225  -7.808   4.319
  141    H    ARG  21           H        ARG  21  -2.336  -5.306   2.691
  142    HA   ARG  21           HA       ARG  21  -4.551  -7.140   2.106
  143   1HB   ARG  21          1HB       ARG  21  -4.415  -4.842   4.077
  144   2HB   ARG  21          2HB       ARG  21  -5.782  -5.917   3.855
  145   1HG   ARG  21          1HG       ARG  21  -4.774  -6.767   5.740
  146   2HG   ARG  21          2HG       ARG  21  -4.115  -7.792   4.464
  147   1HD   ARG  21          1HD       ARG  21  -2.146  -7.293   5.434
  148   2HD   ARG  21          2HD       ARG  21  -2.282  -5.812   4.488
  149    HE   ARG  21           HE       ARG  21  -2.575  -4.624   6.429
  150   1HH1  ARG  21          2HH1      ARG  21  -2.993  -8.062   7.115
  151   2HH1  ARG  21          1HH1      ARG  21  -3.050  -7.820   8.837
  152   1HH2  ARG  21          2HH2      ARG  21  -2.638  -4.356   8.696
  153   2HH2  ARG  21          1HH2      ARG  21  -2.860  -5.741   9.731
  154    H    SER  22           H        SER  22  -5.980  -6.609   0.605
  155    HA   SER  22           HA       SER  22  -5.707  -4.181  -0.869
  156   1HB   SER  22          1HB       SER  22  -8.077  -5.465  -1.662
  157   2HB   SER  22          2HB       SER  22  -6.488  -5.602  -2.417
  158    HG   SER  22           HG       SER  22  -7.013  -7.658  -1.902
  159    H    ASP  23           H        ASP  23  -7.772  -5.247   1.714
  160    HA   ASP  23           HA       ASP  23  -9.745  -3.143   1.237
  161   1HB   ASP  23          1HB       ASP  23 -10.935  -4.900   2.087
  162   2HB   ASP  23          2HB       ASP  23  -9.551  -5.551   2.950
  163    H    HIS  24           H        HIS  24  -6.885  -3.700   2.960
  164    HA   HIS  24           HA       HIS  24  -7.390  -1.621   4.893
  165   1HB   HIS  24          1HB       HIS  24  -5.321  -3.659   4.507
  166   2HB   HIS  24          2HB       HIS  24  -4.707  -2.119   5.114
  167    HD1  HIS  24           1HD      HIS  24  -4.563  -4.407   7.055
  168    HD2  HIS  24           2HD      HIS  24  -7.940  -2.026   6.646
  169    HE1  HIS  24           1HE      HIS  24  -5.821  -4.657   9.216
  170    HE2  HIS  24           2HE      HIS  24  -7.808  -3.126   8.997
  171    H    LEU  25           H        LEU  25  -5.293  -2.031   2.084
  172    HA   LEU  25           HA       LEU  25  -4.312   0.661   2.215
  173   1HB   LEU  25          1HB       LEU  25  -2.785  -0.683   1.200
  174   2HB   LEU  25          2HB       LEU  25  -4.003  -1.703   0.462
  175    HG   LEU  25           HG       LEU  25  -4.364   0.600  -0.928
  176   1HD1  LEU  25          1HD1      LEU  25  -2.515   1.856  -1.142
  177   2HD1  LEU  25          2HD1      LEU  25  -2.143   1.211   0.457
  178   3HD1  LEU  25          3HD1      LEU  25  -1.427   0.476  -0.977
  179   1HD2  LEU  25          1HD2      LEU  25  -2.304  -0.860  -2.231
  180   2HD2  LEU  25          2HD2      LEU  25  -3.334  -2.005  -1.366
  181   3HD2  LEU  25          3HD2      LEU  25  -4.042  -0.891  -2.538
  182    H    ALA  26           H        ALA  26  -7.152  -0.807   0.938
  183    HA   ALA  26           HA       ALA  26  -7.679   1.272  -1.002
  184   1HB   ALA  26          1HB       ALA  26  -8.936  -1.198  -0.203
  185   2HB   ALA  26          2HB       ALA  26 -10.116   0.109  -0.288
  186   3HB   ALA  26          3HB       ALA  26  -9.122  -0.275  -1.695
  187    H    LEU  27           H        LEU  27  -8.674   0.517   2.330
  188    HA   LEU  27           HA       LEU  27 -10.337   2.843   2.531
  189   1HB   LEU  27          1HB       LEU  27 -10.926   2.114   4.608
  190   2HB   LEU  27          2HB       LEU  27 -10.396   0.601   3.907
  191    HG   LEU  27           HG       LEU  27  -8.084   1.464   5.056
  192   1HD1  LEU  27          1HD1      LEU  27  -8.996   3.387   6.122
  193   2HD1  LEU  27          2HD1      LEU  27 -10.376   2.473   6.730
  194   3HD1  LEU  27          3HD1      LEU  27  -8.763   2.166   7.372
  195   1HD2  LEU  27          1HD2      LEU  27  -8.947  -0.757   5.276
  196   2HD2  LEU  27          2HD2      LEU  27  -8.661  -0.108   6.892
  197   3HD2  LEU  27          3HD2      LEU  27 -10.301  -0.183   6.251
  198    H    HIS  28           H        HIS  28  -7.055   1.995   3.391
  199    HA   HIS  28           HA       HIS  28  -6.377   4.328   4.803
  200   1HB   HIS  28          1HB       HIS  28  -4.871   2.548   5.002
  201   2HB   HIS  28          2HB       HIS  28  -4.834   2.268   3.271
  202    HD1  HIS  28           1HD      HIS  28  -3.181   4.216   5.973
  203    HD2  HIS  28           2HD      HIS  28  -3.120   3.980   1.830
  204    HE1  HIS  28           1HE      HIS  28  -1.140   5.486   5.203
  205    H    ARG  29           H        ARG  29  -6.582   3.604   1.390
  206    HA   ARG  29           HA       ARG  29  -5.279   6.062   0.630
  207   1HB   ARG  29          1HB       ARG  29  -6.325   3.659  -0.785
  208   2HB   ARG  29          2HB       ARG  29  -6.127   5.150  -1.708
  209   1HG   ARG  29          1HG       ARG  29  -3.747   5.061  -0.443
  210   2HG   ARG  29          2HG       ARG  29  -4.098   3.336  -0.574
  211   1HD   ARG  29          1HD       ARG  29  -3.240   3.485  -2.624
  212   2HD   ARG  29          2HD       ARG  29  -4.757   4.270  -3.061
  213    HE   ARG  29           HE       ARG  29  -2.954   6.195  -2.049
  214   1HH1  ARG  29          2HH1      ARG  29  -3.493   4.181  -4.861
  215   2HH1  ARG  29          1HH1      ARG  29  -2.677   5.268  -5.951
  216   1HH2  ARG  29          2HH2      ARG  29  -1.870   7.623  -3.483
  217   2HH2  ARG  29          1HH2      ARG  29  -1.761   7.222  -5.163
  218    H    LYS  30           H        LYS  30  -8.571   4.857   0.851
  219    HA   LYS  30           HA       LYS  30  -9.743   6.927  -0.684
  220   1HB   LYS  30          1HB       LYS  30 -11.565   5.680  -0.422
  221   2HB   LYS  30          2HB       LYS  30 -10.641   4.614   0.625
  222   1HG   LYS  30          1HG       LYS  30 -11.550   6.916   2.089
  223   2HG   LYS  30          2HG       LYS  30 -12.901   6.110   1.286
  224   1HD   LYS  30          1HD       LYS  30 -12.319   4.012   2.300
  225   2HD   LYS  30          2HD       LYS  30 -10.844   4.706   2.977
  226   1HE   LYS  30          2HE       LYS  30 -12.068   5.030   4.818
  227   2HE   LYS  30          1HE       LYS  30 -12.760   6.394   3.940
  228   1HZ   LYS  30          1HZ       LYS  30 -14.384   4.791   4.959
  229   2HZ   LYS  30          2HZ       LYS  30 -13.889   3.661   3.793
  230   3HZ   LYS  30          3HZ       LYS  30 -14.612   5.117   3.306
  231    H    ARG  31           H        ARG  31  -8.752   6.675   2.645
  232    HA   ARG  31           HA       ARG  31 -10.046   9.118   3.455
  233   1HB   ARG  31          1HB       ARG  31  -9.040   8.782   5.578
  234   2HB   ARG  31          2HB       ARG  31  -9.507   7.191   4.994
  235   1HG   ARG  31          1HG       ARG  31  -7.179   6.801   4.282
  236   2HG   ARG  31          2HG       ARG  31  -6.735   8.366   4.964
  237   1HD   ARG  31          1HD       ARG  31  -8.208   6.606   6.790
  238   2HD   ARG  31          2HD       ARG  31  -6.629   5.995   6.296
  239    HE   ARG  31           HE       ARG  31  -6.658   8.752   7.182
  240   1HH1  ARG  31          2HH1      ARG  31  -6.199   5.394   8.074
  241   2HH1  ARG  31          1HH1      ARG  31  -5.305   5.768   9.518
  242   1HH2  ARG  31          2HH2      ARG  31  -5.476   9.241   9.078
  243   2HH2  ARG  31          1HH2      ARG  31  -4.917   7.953  10.097
  244    H    HIS  32           H        HIS  32  -7.328   8.417   1.628
  245    HA   HIS  32           HA       HIS  32  -5.656  10.624   2.402
  246   1HB   HIS  32          1HB       HIS  32  -5.696   8.561   0.267
  247   2HB   HIS  32          2HB       HIS  32  -4.899  10.067  -0.129
  248    HD1  HIS  32           1HD      HIS  32  -3.272  10.666   2.369
  249    HD2  HIS  32           2HD      HIS  32  -3.740   6.858   0.771
  250    HE1  HIS  32           1HE      HIS  32  -1.301   9.289   3.187
  251    H    MET  33           H        MET  33  -8.264   9.970   0.199
  252    HA   MET  33           HA       MET  33  -7.957  12.375  -1.328
  253   1HB   MET  33          1HB       MET  33 -10.419  10.637  -1.217
  254   2HB   MET  33          2HB       MET  33  -9.881  11.666  -2.537
  255   1HG   MET  33          1HG       MET  33  -7.909  10.162  -2.808
  256   2HG   MET  33          2HG       MET  33  -8.637   9.091  -1.611
  257   1HE   MET  33          1HE       MET  33 -10.167   6.697  -3.933
  258   2HE   MET  33          2HE       MET  33  -8.785   7.041  -2.895
  259   3HE   MET  33          3HE       MET  33 -10.424   7.215  -2.267
  260    H    LEU  34           H        LEU  34  -9.515  11.530   1.607
  261    HA   LEU  34           HA       LEU  34 -10.732  14.190   1.704
  262   1HB   LEU  34          1HB       LEU  34 -12.608  12.826   1.313
  263   2HB   LEU  34          2HB       LEU  34 -11.999  11.541   2.338
  264    HG   LEU  34           HG       LEU  34 -12.353  13.072   4.299
  265   1HD1  LEU  34          1HD1      LEU  34 -14.374  14.715   3.323
  266   2HD1  LEU  34          2HD1      LEU  34 -12.775  15.213   3.872
  267   3HD1  LEU  34          3HD1      LEU  34 -13.057  14.881   2.161
  268   1HD2  LEU  34          1HD2      LEU  34 -15.046  12.833   3.247
  269   2HD2  LEU  34          2HD2      LEU  34 -14.082  11.382   2.966
  270   3HD2  LEU  34          3HD2      LEU  34 -14.285  12.004   4.604
  271    H    VAL  35           H        VAL  35  -8.955  14.866   2.902
  272    HA   VAL  35           HA       VAL  35  -8.897  13.893   5.667
  273    HB   VAL  35           HB       VAL  35  -7.037  12.795   4.549
  274   1HG1  VAL  35          1HG1      VAL  35  -5.396  13.844   3.286
  275   2HG1  VAL  35          2HG1      VAL  35  -6.884  14.639   2.770
  276   3HG1  VAL  35          3HG1      VAL  35  -5.803  15.444   3.907
  277   1HG2  VAL  35          1HG2      VAL  35  -5.177  14.360   5.842
  278   2HG2  VAL  35          2HG2      VAL  35  -6.679  14.737   6.686
  279   3HG2  VAL  35          3HG2      VAL  35  -6.129  13.065   6.569
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  13.082 -15.498  -0.319
    2   2H    GLY   1          2H        GLY   1  12.363 -16.717  -1.247
    3   3H    GLY   1          3H        GLY   1  13.627 -17.098  -0.181
    4   1HA   GLY   1          2HA       GLY   1  11.547 -17.787   0.776
    5   2HA   GLY   1          1HA       GLY   1  12.240 -16.467   1.704
    6    H    SER   2           H        SER   2  10.897 -14.890   2.220
    7    HA   SER   2           HA       SER   2   8.478 -14.516   0.577
    8   1HB   SER   2          1HB       SER   2   8.458 -13.260   3.213
    9   2HB   SER   2          2HB       SER   2   7.279 -14.351   2.481
   10    HG   SER   2           HG       SER   2   8.805 -16.074   3.013
   11    H    THR   3           H        THR   3   7.878 -12.421  -0.010
   12    HA   THR   3           HA       THR   3  10.049 -10.572  -0.302
   13    HB   THR   3           HB       THR   3   7.459  -9.451  -0.946
   14    HG1  THR   3           1HG      THR   3   6.807 -11.016  -2.446
   15   1HG2  THR   3          1HG2      THR   3   8.470  -9.359  -3.210
   16   2HG2  THR   3          2HG2      THR   3   9.832 -10.304  -2.605
   17   3HG2  THR   3          3HG2      THR   3   9.519  -8.693  -1.959
   18    H    GLY   4           H        GLY   4  10.520  -8.864   0.919
   19   1HA   GLY   4          1HA       GLY   4   8.831  -8.261   3.234
   20   2HA   GLY   4          2HA       GLY   4  10.437  -7.608   2.914
   21    H    ILE   5           H        ILE   5   9.561  -7.160   0.100
   22    HA   ILE   5           HA       ILE   5   8.482  -4.503   0.423
   23    HB   ILE   5           HB       ILE   5   9.196  -6.078  -2.058
   24   1HG1  ILE   5          2HG1      ILE   5  10.858  -3.779  -1.496
   25   2HG1  ILE   5          1HG1      ILE   5  10.851  -4.886  -0.126
   26   1HG2  ILE   5          1HG2      ILE   5   9.127  -3.154  -2.212
   27   2HG2  ILE   5          2HG2      ILE   5   8.541  -4.364  -3.352
   28   3HG2  ILE   5          3HG2      ILE   5   7.553  -3.907  -1.964
   29   1HD1  ILE   5          1HD1      ILE   5  11.866  -6.561  -1.303
   30   2HD1  ILE   5          2HD1      ILE   5  11.273  -5.979  -2.859
   31   3HD1  ILE   5          3HD1      ILE   5  12.595  -5.139  -2.048
   32    H    LYS   6           H        LYS   6   6.414  -3.922   0.095
   33    HA   LYS   6           HA       LYS   6   4.487  -6.070  -0.198
   34   1HB   LYS   6          1HB       LYS   6   3.897  -3.147   0.291
   35   2HB   LYS   6          2HB       LYS   6   2.862  -4.532   0.618
   36   1HG   LYS   6          1HG       LYS   6   5.504  -4.318   1.989
   37   2HG   LYS   6          2HG       LYS   6   4.126  -3.381   2.568
   38   1HD   LYS   6          1HD       LYS   6   3.506  -5.183   3.718
   39   2HD   LYS   6          2HD       LYS   6   3.115  -5.939   2.171
   40   1HE   LYS   6          2HE       LYS   6   4.644  -7.481   2.649
   41   2HE   LYS   6          1HE       LYS   6   5.864  -6.230   2.404
   42   1HZ   LYS   6          1HZ       LYS   6   5.877  -5.750   4.720
   43   2HZ   LYS   6          2HZ       LYS   6   6.026  -7.432   4.557
   44   3HZ   LYS   6          3HZ       LYS   6   4.540  -6.754   5.012
   45    HA   PRO   7           HA       PRO   7   3.573  -5.127  -4.413
   46   1HB   PRO   7          1HB       PRO   7   1.331  -6.599  -4.686
   47   2HB   PRO   7          2HB       PRO   7   2.923  -7.341  -4.515
   48   1HG   PRO   7          1HG       PRO   7   0.752  -7.028  -2.500
   49   2HG   PRO   7          2HG       PRO   7   1.890  -8.365  -2.727
   50   1HD   PRO   7          1HD       PRO   7   2.122  -6.362  -0.812
   51   2HD   PRO   7          2HD       PRO   7   3.448  -7.403  -1.375
   52    H    PHE   8           H        PHE   8   1.206  -4.654  -1.881
   53    HA   PHE   8           HA       PHE   8  -0.401  -2.903  -3.572
   54   1HB   PHE   8          1HB       PHE   8  -0.838  -3.748  -0.700
   55   2HB   PHE   8          2HB       PHE   8  -1.978  -2.855  -1.696
   56    HD1  PHE   8           1HD      PHE   8  -3.198  -4.949  -0.529
   57    HD2  PHE   8           2HD      PHE   8  -0.574  -5.169  -3.864
   58    HE1  PHE   8           1HE      PHE   8  -4.231  -7.076  -1.185
   59    HE2  PHE   8           2HE      PHE   8  -1.611  -7.293  -4.543
   60    HZ   PHE   8           HZ       PHE   8  -3.438  -8.254  -3.203
   61    H    GLN   9           H        GLN   9   1.852  -1.719  -3.471
   62    HA   GLN   9           HA       GLN   9   2.458  -0.251  -1.128
   63   1HB   GLN   9          1HB       GLN   9   3.941  -0.884  -3.179
   64   2HB   GLN   9          2HB       GLN   9   3.323   0.611  -3.866
   65   1HG   GLN   9          1HG       GLN   9   4.110   1.411  -1.383
   66   2HG   GLN   9          2HG       GLN   9   5.308   0.177  -1.775
   67   1HE2  GLN   9          1HE2      GLN   9   4.013   3.279  -2.591
   68   2HE2  GLN   9          2HE2      GLN   9   5.272   3.744  -3.682
   69    H    CYS  10           H        CYS  10   1.825   1.712  -0.452
   70    HA   CYS  10           HA       CYS  10  -0.323   3.062  -1.834
   71   1HB   CYS  10          1HB       CYS  10  -0.598   3.326   0.454
   72   2HB   CYS  10          2HB       CYS  10   1.131   3.474   0.751
   73    H    THR  11           H        THR  11  -0.094   4.620  -3.294
   74    HA   THR  11           HA       THR  11   2.598   5.482  -3.950
   75    HB   THR  11           HB       THR  11   0.644   6.524  -5.761
   76    HG1  THR  11           1HG      THR  11   0.304   3.885  -6.107
   77   1HG2  THR  11          1HG2      THR  11   2.849   4.494  -5.849
   78   2HG2  THR  11          2HG2      THR  11   2.769   6.085  -6.607
   79   3HG2  THR  11          3HG2      THR  11   1.808   4.753  -7.250
   80    H    TRP  12           H        TRP  12   1.248   6.684  -1.614
   81    HA   TRP  12           HA       TRP  12   0.758   9.425  -2.516
   82   1HB   TRP  12          1HB       TRP  12  -0.284   7.982  -0.417
   83   2HB   TRP  12          2HB       TRP  12   0.955   8.951   0.379
   84    HD1  TRP  12           HD       TRP  12   0.388  11.437   0.853
   85    HE1  TRP  12           1HE      TRP  12  -1.632  12.963   0.351
   86    HE3  TRP  12           3HE      TRP  12  -2.163   8.357  -2.321
   87    HZ2  TRP  12           2HZ      TRP  12  -3.983  12.861  -1.203
   88    HZ3  TRP  12           3HZ      TRP  12  -4.290   9.141  -3.272
   89    HH2  TRP  12           HH       TRP  12  -5.180  11.351  -2.726
   90    HA   PRO  13           HA       PRO  13   5.036  10.376  -2.383
   91   1HB   PRO  13          1HB       PRO  13   4.074  13.131  -1.774
   92   2HB   PRO  13          2HB       PRO  13   5.175  12.576  -3.041
   93   1HG   PRO  13          1HG       PRO  13   2.667  13.220  -3.633
   94   2HG   PRO  13          2HG       PRO  13   3.442  11.814  -4.392
   95   1HD   PRO  13          1HD       PRO  13   1.434  11.912  -2.180
   96   2HD   PRO  13          2HD       PRO  13   1.584  10.754  -3.517
   97    H    ASP  14           H        ASP  14   3.361  12.442   0.007
   98    HA   ASP  14           HA       ASP  14   5.561  12.518   1.785
   99   1HB   ASP  14          1HB       ASP  14   4.127  14.318   2.048
  100   2HB   ASP  14          2HB       ASP  14   2.685  13.323   1.914
  101    H    CYS  15           H        CYS  15   2.828  10.413   1.502
  102    HA   CYS  15           HA       CYS  15   3.090   9.174   4.060
  103   1HB   CYS  15          1HB       CYS  15   0.963   9.367   2.831
  104   2HB   CYS  15          2HB       CYS  15   1.597   8.319   1.575
  105    H    ASP  16           H        ASP  16   3.312   7.726   0.825
  106    HA   ASP  16           HA       ASP  16   4.572   6.075  -0.053
  107   1HB   ASP  16          1HB       ASP  16   6.409   7.650   0.366
  108   2HB   ASP  16          2HB       ASP  16   6.616   6.948   1.960
  109    H    ARG  17           H        ARG  17   2.796   4.876   1.196
  110    HA   ARG  17           HA       ARG  17   3.972   3.188   3.282
  111   1HB   ARG  17          1HB       ARG  17   1.375   4.330   2.871
  112   2HB   ARG  17          2HB       ARG  17   1.234   2.574   2.979
  113   1HG   ARG  17          1HG       ARG  17   1.003   3.379   5.175
  114   2HG   ARG  17          2HG       ARG  17   2.638   2.722   5.073
  115   1HD   ARG  17          1HD       ARG  17   2.072   5.618   4.568
  116   2HD   ARG  17          2HD       ARG  17   2.314   5.004   6.203
  117    HE   ARG  17           HE       ARG  17   4.311   5.461   4.197
  118   1HH1  ARG  17          2HH1      ARG  17   3.533   3.637   7.086
  119   2HH1  ARG  17          1HH1      ARG  17   5.193   3.240   7.434
  120   1HH2  ARG  17          2HH2      ARG  17   6.489   4.968   4.663
  121   2HH2  ARG  17          1HH2      ARG  17   6.878   4.022   6.069
  122    H    SER  18           H        SER  18   2.828   0.901   3.214
  123    HA   SER  18           HA       SER  18   2.628  -0.184   0.536
  124   1HB   SER  18          1HB       SER  18   4.561  -1.855   1.745
  125   2HB   SER  18          2HB       SER  18   4.778  -0.809   0.342
  126    HG   SER  18           HG       SER  18   6.110   0.255   1.561
  127    H    PHE  19           H        PHE  19   1.185  -1.804   0.554
  128    HA   PHE  19           HA       PHE  19   0.617  -3.085   3.150
  129   1HB   PHE  19          1HB       PHE  19  -1.281  -2.108   1.017
  130   2HB   PHE  19          2HB       PHE  19  -1.772  -3.166   2.332
  131    HD1  PHE  19           1HD      PHE  19  -2.324  -2.310   4.411
  132    HD2  PHE  19           2HD      PHE  19  -0.359   0.165   1.571
  133    HE1  PHE  19           1HE      PHE  19  -2.695  -0.359   5.860
  134    HE2  PHE  19           2HE      PHE  19  -0.731   2.125   2.998
  135    HZ   PHE  19           HZ       PHE  19  -1.889   1.869   5.148
  136    H    SER  20           H        SER  20  -0.737  -5.036   2.913
  137    HA   SER  20           HA       SER  20  -0.255  -6.544   0.444
  138   1HB   SER  20          1HB       SER  20  -0.428  -8.462   2.444
  139   2HB   SER  20          2HB       SER  20   1.060  -7.924   1.666
  140    HG   SER  20           HG       SER  20   1.402  -7.637   3.809
  141    H    ARG  21           H        ARG  21  -2.321  -5.148   2.551
  142    HA   ARG  21           HA       ARG  21  -4.503  -7.067   2.195
  143   1HB   ARG  21          1HB       ARG  21  -4.541  -4.628   3.975
  144   2HB   ARG  21          2HB       ARG  21  -5.581  -6.041   4.054
  145   1HG   ARG  21          1HG       ARG  21  -4.160  -6.346   5.856
  146   2HG   ARG  21          2HG       ARG  21  -3.405  -7.328   4.600
  147   1HD   ARG  21          1HD       ARG  21  -1.524  -6.189   4.885
  148   2HD   ARG  21          2HD       ARG  21  -2.348  -4.737   4.324
  149    HE   ARG  21           HE       ARG  21  -2.806  -4.179   6.619
  150   1HH1  ARG  21          2HH1      ARG  21  -0.480  -6.747   6.082
  151   2HH1  ARG  21          1HH1      ARG  21   0.226  -6.614   7.663
  152   1HH2  ARG  21          2HH2      ARG  21  -1.919  -4.040   8.723
  153   2HH2  ARG  21          1HH2      ARG  21  -0.600  -5.087   9.171
  154    H    SER  22           H        SER  22  -5.812  -6.688   0.548
  155    HA   SER  22           HA       SER  22  -5.782  -4.262  -0.922
  156   1HB   SER  22          1HB       SER  22  -8.054  -5.956  -1.512
  157   2HB   SER  22          2HB       SER  22  -6.632  -5.606  -2.500
  158    HG   SER  22           HG       SER  22  -6.749  -7.826  -1.993
  159    H    ASP  23           H        ASP  23  -7.657  -5.302   1.769
  160    HA   ASP  23           HA       ASP  23  -9.793  -3.365   1.195
  161   1HB   ASP  23          1HB       ASP  23 -10.992  -5.088   2.043
  162   2HB   ASP  23          2HB       ASP  23  -9.569  -5.833   2.754
  163    H    HIS  24           H        HIS  24  -6.873  -3.628   2.804
  164    HA   HIS  24           HA       HIS  24  -7.664  -1.642   4.803
  165   1HB   HIS  24          1HB       HIS  24  -5.670  -3.710   4.765
  166   2HB   HIS  24          2HB       HIS  24  -4.927  -2.154   5.140
  167    HD1  HIS  24           1HD      HIS  24  -4.574  -2.995   7.623
  168    HD2  HIS  24           2HD      HIS  24  -8.529  -2.613   6.408
  169    HE1  HIS  24           1HE      HIS  24  -5.945  -3.141   9.722
  170    HE2  HIS  24           2HE      HIS  24  -8.335  -3.160   8.930
  171    H    LEU  25           H        LEU  25  -5.348  -2.022   2.177
  172    HA   LEU  25           HA       LEU  25  -4.388   0.670   2.343
  173   1HB   LEU  25          1HB       LEU  25  -2.864  -0.663   1.284
  174   2HB   LEU  25          2HB       LEU  25  -4.093  -1.659   0.531
  175    HG   LEU  25           HG       LEU  25  -4.455   0.691  -0.791
  176   1HD1  LEU  25          1HD1      LEU  25  -1.487   0.470  -0.697
  177   2HD1  LEU  25          2HD1      LEU  25  -2.504   1.840  -1.146
  178   3HD1  LEU  25          3HD1      LEU  25  -2.325   1.393   0.551
  179   1HD2  LEU  25          1HD2      LEU  25  -2.382  -0.855  -2.073
  180   2HD2  LEU  25          2HD2      LEU  25  -3.601  -1.904  -1.347
  181   3HD2  LEU  25          3HD2      LEU  25  -4.081  -0.670  -2.510
  182    H    ALA  26           H        ALA  26  -7.227  -0.803   1.144
  183    HA   ALA  26           HA       ALA  26  -7.837   1.165  -0.865
  184   1HB   ALA  26          1HB       ALA  26  -9.968   0.150  -1.019
  185   2HB   ALA  26          2HB       ALA  26  -8.827  -1.168  -0.749
  186   3HB   ALA  26          3HB       ALA  26  -9.823  -0.578   0.582
  187    H    LEU  27           H        LEU  27  -8.810   0.627   2.539
  188    HA   LEU  27           HA       LEU  27 -10.359   3.042   2.606
  189   1HB   LEU  27          1HB       LEU  27 -10.586   2.670   4.996
  190   2HB   LEU  27          2HB       LEU  27 -10.947   1.213   4.096
  191    HG   LEU  27           HG       LEU  27  -8.327   0.793   4.690
  192   1HD1  LEU  27          1HD1      LEU  27  -7.649   1.709   6.645
  193   2HD1  LEU  27          2HD1      LEU  27  -8.747   3.000   6.157
  194   3HD1  LEU  27          3HD1      LEU  27  -9.283   1.774   7.306
  195   1HD2  LEU  27          1HD2      LEU  27 -10.920  -0.003   5.848
  196   2HD2  LEU  27          2HD2      LEU  27  -9.617  -0.990   5.187
  197   3HD2  LEU  27          3HD2      LEU  27  -9.491  -0.346   6.823
  198    H    HIS  28           H        HIS  28  -7.121   2.099   3.443
  199    HA   HIS  28           HA       HIS  28  -6.250   4.426   4.750
  200   1HB   HIS  28          1HB       HIS  28  -4.856   2.516   4.842
  201   2HB   HIS  28          2HB       HIS  28  -4.876   2.322   3.102
  202    HD1  HIS  28           1HD      HIS  28  -2.941   3.816   5.829
  203    HD2  HIS  28           2HD      HIS  28  -3.205   4.186   1.703
  204    HE1  HIS  28           1HE      HIS  28  -0.856   5.026   5.075
  205    H    ARG  29           H        ARG  29  -6.699   3.623   1.388
  206    HA   ARG  29           HA       ARG  29  -5.461   6.079   0.483
  207   1HB   ARG  29          1HB       ARG  29  -6.611   3.651  -0.861
  208   2HB   ARG  29          2HB       ARG  29  -6.236   5.108  -1.787
  209   1HG   ARG  29          1HG       ARG  29  -3.930   4.801  -0.413
  210   2HG   ARG  29          2HG       ARG  29  -4.438   3.119  -0.571
  211   1HD   ARG  29          1HD       ARG  29  -3.435   3.218  -2.565
  212   2HD   ARG  29          2HD       ARG  29  -4.898   4.060  -3.075
  213    HE   ARG  29           HE       ARG  29  -2.896   5.808  -1.979
  214   1HH1  ARG  29          2HH1      ARG  29  -4.055   4.218  -4.868
  215   2HH1  ARG  29          1HH1      ARG  29  -3.243   5.311  -5.951
  216   1HH2  ARG  29          2HH2      ARG  29  -1.842   7.268  -3.400
  217   2HH2  ARG  29          1HH2      ARG  29  -1.998   7.052  -5.118
  218    H    LYS  30           H        LYS  30  -8.653   4.818   1.048
  219    HA   LYS  30           HA       LYS  30 -10.070   6.680  -0.541
  220   1HB   LYS  30          1HB       LYS  30 -10.696   4.528   1.210
  221   2HB   LYS  30          2HB       LYS  30 -11.638   5.926   1.711
  222   1HG   LYS  30          1HG       LYS  30 -13.081   5.111   0.175
  223   2HG   LYS  30          2HG       LYS  30 -12.068   6.050  -0.922
  224   1HD   LYS  30          1HD       LYS  30 -10.664   3.856  -1.058
  225   2HD   LYS  30          2HD       LYS  30 -12.148   3.095  -0.481
  226   1HE   LYS  30          2HE       LYS  30 -13.144   3.305  -2.473
  227   2HE   LYS  30          1HE       LYS  30 -12.624   4.981  -2.638
  228   1HZ   LYS  30          1HZ       LYS  30 -11.617   2.729  -3.962
  229   2HZ   LYS  30          2HZ       LYS  30 -10.384   3.326  -2.963
  230   3HZ   LYS  30          3HZ       LYS  30 -11.111   4.344  -4.102
  231    H    ARG  31           H        ARG  31  -9.105   6.654   2.865
  232    HA   ARG  31           HA       ARG  31 -10.245   9.246   3.371
  233   1HB   ARG  31          1HB       ARG  31  -9.199   9.078   5.564
  234   2HB   ARG  31          2HB       ARG  31 -10.040   7.585   5.168
  235   1HG   ARG  31          1HG       ARG  31  -8.082   6.392   4.924
  236   2HG   ARG  31          2HG       ARG  31  -7.116   7.835   4.609
  237   1HD   ARG  31          1HD       ARG  31  -8.128   8.251   7.149
  238   2HD   ARG  31          2HD       ARG  31  -7.754   6.529   7.128
  239    HE   ARG  31           HE       ARG  31  -5.477   7.077   6.622
  240   1HH1  ARG  31          2HH1      ARG  31  -7.491   9.739   7.686
  241   2HH1  ARG  31          1HH1      ARG  31  -6.145  10.803   7.981
  242   1HH2  ARG  31          2HH2      ARG  31  -3.711   8.456   7.048
  243   2HH2  ARG  31          1HH2      ARG  31  -3.994  10.063   7.647
  244    H    HIS  32           H        HIS  32  -7.488   8.190   1.801
  245    HA   HIS  32           HA       HIS  32  -5.595  10.174   2.530
  246   1HB   HIS  32          1HB       HIS  32  -5.835   8.064   0.562
  247   2HB   HIS  32          2HB       HIS  32  -5.136   9.512  -0.150
  248    HD1  HIS  32           1HD      HIS  32  -3.515  10.338   2.512
  249    HD2  HIS  32           2HD      HIS  32  -3.516   6.648   0.581
  250    HE1  HIS  32           1HE      HIS  32  -1.336   9.192   3.128
  251    H    MET  33           H        MET  33  -8.007   9.937  -0.034
  252    HA   MET  33           HA       MET  33  -7.371  12.559  -1.053
  253   1HB   MET  33          1HB       MET  33  -9.106  12.117  -2.712
  254   2HB   MET  33          2HB       MET  33  -7.968  10.781  -2.606
  255   1HG   MET  33          1HG       MET  33  -9.658   9.729  -1.005
  256   2HG   MET  33          2HG       MET  33 -10.782  10.933  -1.625
  257   1HE   MET  33          1HE       MET  33 -11.448   7.478  -2.328
  258   2HE   MET  33          2HE       MET  33 -12.190   9.029  -1.935
  259   3HE   MET  33          3HE       MET  33 -12.398   8.333  -3.543
  260    H    LEU  34           H        LEU  34  -8.797  11.783   1.650
  261    HA   LEU  34           HA       LEU  34 -10.911  13.816   1.411
  262   1HB   LEU  34          1HB       LEU  34 -10.768  11.262   2.858
  263   2HB   LEU  34          2HB       LEU  34 -11.384  12.601   3.810
  264    HG   LEU  34           HG       LEU  34 -12.674  12.677   1.284
  265   1HD1  LEU  34          1HD1      LEU  34 -13.585  10.158   2.367
  266   2HD1  LEU  34          2HD1      LEU  34 -13.153  10.584   0.710
  267   3HD1  LEU  34          3HD1      LEU  34 -11.902  10.069   1.843
  268   1HD2  LEU  34          1HD2      LEU  34 -14.418  11.687   3.267
  269   2HD2  LEU  34          2HD2      LEU  34 -13.280  12.769   4.071
  270   3HD2  LEU  34          3HD2      LEU  34 -14.234  13.350   2.707
  271    H    VAL  35           H        VAL  35  -8.602  14.936   1.538
  272    HA   VAL  35           HA       VAL  35  -7.794  15.367   4.306
  273    HB   VAL  35           HB       VAL  35  -6.242  17.097   2.903
  274   1HG1  VAL  35          1HG1      VAL  35  -5.079  15.735   4.302
  275   2HG1  VAL  35          2HG1      VAL  35  -5.941  14.284   3.788
  276   3HG1  VAL  35          3HG1      VAL  35  -4.669  14.962   2.770
  277   1HG2  VAL  35          1HG2      VAL  35  -6.844  16.664   0.714
  278   2HG2  VAL  35          2HG2      VAL  35  -5.468  15.583   0.927
  279   3HG2  VAL  35          3HG2      VAL  35  -7.111  14.947   1.015
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  15.655 -12.839   1.208
    2   2H    GLY   1          2H        GLY   1  15.136 -13.746  -0.126
    3   3H    GLY   1          3H        GLY   1  16.030 -14.490   1.105
    4   1HA   GLY   1          2HA       GLY   1  13.952 -15.174   1.678
    5   2HA   GLY   1          1HA       GLY   1  14.095 -13.692   2.614
    6    H    SER   2           H        SER   2  11.946 -13.181   2.662
    7    HA   SER   2           HA       SER   2  10.336 -13.148   0.291
    8   1HB   SER   2          1HB       SER   2   9.078 -11.608   2.283
    9   2HB   SER   2          2HB       SER   2   8.767 -13.297   1.883
   10    HG   SER   2           HG       SER   2  10.358 -13.893   3.397
   11    H    THR   3           H        THR   3   9.438 -11.323  -0.725
   12    HA   THR   3           HA       THR   3  11.208  -9.209  -1.242
   13    HB   THR   3           HB       THR   3   8.396  -8.595  -1.781
   14    HG1  THR   3           1HG      THR   3   8.118 -10.810  -1.888
   15   1HG2  THR   3          1HG2      THR   3   9.202  -7.942  -3.826
   16   2HG2  THR   3          2HG2      THR   3  10.419  -9.217  -3.878
   17   3HG2  THR   3          3HG2      THR   3  10.671  -7.798  -2.861
   18    H    GLY   4           H        GLY   4  11.347  -7.131  -0.491
   19   1HA   GLY   4          1HA       GLY   4  10.041  -6.607   2.061
   20   2HA   GLY   4          2HA       GLY   4  11.317  -5.648   1.320
   21    H    ILE   5           H        ILE   5  10.273  -5.144  -1.143
   22    HA   ILE   5           HA       ILE   5   8.420  -3.051  -0.596
   23    HB   ILE   5           HB       ILE   5   9.672  -4.162  -3.080
   24   1HG1  ILE   5          2HG1      ILE   5   9.534  -1.274  -2.351
   25   2HG1  ILE   5          1HG1      ILE   5  10.542  -2.325  -1.361
   26   1HG2  ILE   5          1HG2      ILE   5   7.252  -2.394  -2.947
   27   2HG2  ILE   5          2HG2      ILE   5   8.405  -2.239  -4.273
   28   3HG2  ILE   5          3HG2      ILE   5   7.566  -3.769  -4.007
   29   1HD1  ILE   5          1HD1      ILE   5  11.467  -1.044  -3.484
   30   2HD1  ILE   5          2HD1      ILE   5  12.066  -2.633  -3.008
   31   3HD1  ILE   5          3HD1      ILE   5  10.871  -2.490  -4.297
   32    H    LYS   6           H        LYS   6   6.317  -3.216  -0.380
   33    HA   LYS   6           HA       LYS   6   4.991  -5.726  -0.858
   34   1HB   LYS   6          1HB       LYS   6   3.763  -3.109   0.013
   35   2HB   LYS   6          2HB       LYS   6   3.075  -4.716   0.186
   36   1HG   LYS   6          1HG       LYS   6   5.701  -4.141   1.459
   37   2HG   LYS   6          2HG       LYS   6   4.220  -3.536   2.210
   38   1HD   LYS   6          1HD       LYS   6   3.658  -5.566   2.947
   39   2HD   LYS   6          2HD       LYS   6   3.978  -6.307   1.377
   40   1HE   LYS   6          2HE       LYS   6   5.680  -7.314   2.420
   41   2HE   LYS   6          1HE       LYS   6   6.495  -5.758   2.265
   42   1HZ   LYS   6          1HZ       LYS   6   6.620  -5.721   4.465
   43   2HZ   LYS   6          2HZ       LYS   6   5.660  -7.111   4.612
   44   3HZ   LYS   6          3HZ       LYS   6   4.930  -5.580   4.536
   45    HA   PRO   7           HA       PRO   7   3.291  -4.875  -4.833
   46   1HB   PRO   7          1HB       PRO   7   0.959  -6.472  -4.209
   47   2HB   PRO   7          2HB       PRO   7   2.317  -6.874  -5.258
   48   1HG   PRO   7          1HG       PRO   7   1.795  -8.092  -2.856
   49   2HG   PRO   7          2HG       PRO   7   3.392  -8.032  -3.622
   50   1HD   PRO   7          1HD       PRO   7   2.307  -6.425  -1.356
   51   2HD   PRO   7          2HD       PRO   7   3.962  -7.000  -1.651
   52    H    PHE   8           H        PHE   8   1.316  -4.645  -1.947
   53    HA   PHE   8           HA       PHE   8  -0.538  -2.829  -3.277
   54   1HB   PHE   8          1HB       PHE   8  -0.633  -3.983  -0.482
   55   2HB   PHE   8          2HB       PHE   8  -1.887  -3.008  -1.230
   56    HD1  PHE   8           1HD      PHE   8  -0.510  -5.225  -3.635
   57    HD2  PHE   8           2HD      PHE   8  -3.183  -5.045  -0.336
   58    HE1  PHE   8           1HE      PHE   8  -1.604  -7.279  -4.418
   59    HE2  PHE   8           2HE      PHE   8  -4.280  -7.104  -1.108
   60    HZ   PHE   8           HZ       PHE   8  -3.492  -8.226  -3.156
   61    H    GLN   9           H        GLN   9   1.925  -1.780  -3.128
   62    HA   GLN   9           HA       GLN   9   2.408  -0.307  -0.733
   63   1HB   GLN   9          1HB       GLN   9   3.786  -0.821  -3.144
   64   2HB   GLN   9          2HB       GLN   9   3.592   0.924  -3.059
   65   1HG   GLN   9          1HG       GLN   9   4.372   0.146  -0.502
   66   2HG   GLN   9          2HG       GLN   9   5.371  -0.796  -1.604
   67   1HE2  GLN   9          1HE2      GLN   9   4.634   2.332  -0.370
   68   2HE2  GLN   9          2HE2      GLN   9   5.952   3.172  -1.124
   69    H    CYS  10           H        CYS  10   1.957   1.831  -0.292
   70    HA   CYS  10           HA       CYS  10  -0.257   2.991  -1.772
   71   1HB   CYS  10          1HB       CYS  10  -0.505   3.218   0.571
   72   2HB   CYS  10          2HB       CYS  10   1.164   3.731   0.785
   73    H    THR  11           H        THR  11  -0.044   4.505  -3.277
   74    HA   THR  11           HA       THR  11   2.630   5.343  -3.995
   75    HB   THR  11           HB       THR  11   0.481   6.334  -5.692
   76    HG1  THR  11           1HG      THR  11   0.701   3.502  -5.504
   77   1HG2  THR  11          1HG2      THR  11   1.864   5.627  -7.385
   78   2HG2  THR  11          2HG2      THR  11   2.421   4.215  -6.491
   79   3HG2  THR  11          3HG2      THR  11   3.040   5.815  -6.085
   80    H    TRP  12           H        TRP  12   1.081   6.585  -1.680
   81    HA   TRP  12           HA       TRP  12   0.601   9.292  -2.571
   82   1HB   TRP  12          1HB       TRP  12  -0.372   7.886  -0.491
   83   2HB   TRP  12          2HB       TRP  12   0.953   8.716   0.318
   84    HD1  TRP  12           HD       TRP  12   0.592  11.191   0.951
   85    HE1  TRP  12           1HE      TRP  12  -1.321  12.885   0.644
   86    HE3  TRP  12           3HE      TRP  12  -2.356   8.489  -2.225
   87    HZ2  TRP  12           2HZ      TRP  12  -3.772  13.038  -0.749
   88    HZ3  TRP  12           3HZ      TRP  12  -4.485   9.473  -2.979
   89    HH2  TRP  12           HH       TRP  12  -5.171  11.705  -2.266
   90    HA   PRO  13           HA       PRO  13   4.788  10.583  -2.639
   91   1HB   PRO  13          1HB       PRO  13   3.670  13.216  -1.820
   92   2HB   PRO  13          2HB       PRO  13   4.720  12.815  -3.182
   93   1HG   PRO  13          1HG       PRO  13   2.131  13.297  -3.564
   94   2HG   PRO  13          2HG       PRO  13   2.960  12.018  -4.472
   95   1HD   PRO  13          1HD       PRO  13   1.084  11.796  -2.162
   96   2HD   PRO  13          2HD       PRO  13   1.276  10.732  -3.570
   97    H    ASP  14           H        ASP  14   3.123  12.412  -0.062
   98    HA   ASP  14           HA       ASP  14   5.480  12.436   1.548
   99   1HB   ASP  14          1HB       ASP  14   4.407  14.288   2.220
  100   2HB   ASP  14          2HB       ASP  14   2.900  13.740   1.501
  101    H    CYS  15           H        CYS  15   3.005  10.185   1.159
  102    HA   CYS  15           HA       CYS  15   3.208   9.129   3.856
  103   1HB   CYS  15          1HB       CYS  15   1.003   9.300   2.897
  104   2HB   CYS  15          2HB       CYS  15   1.501   8.386   1.481
  105    H    ASP  16           H        ASP  16   3.119   7.470   0.723
  106    HA   ASP  16           HA       ASP  16   4.285   5.740  -0.153
  107   1HB   ASP  16          1HB       ASP  16   6.208   7.472   0.500
  108   2HB   ASP  16          2HB       ASP  16   6.653   6.143   1.562
  109    H    ARG  17           H        ARG  17   2.557   4.854   1.463
  110    HA   ARG  17           HA       ARG  17   3.740   3.223   3.560
  111   1HB   ARG  17          1HB       ARG  17   1.085   4.219   2.881
  112   2HB   ARG  17          2HB       ARG  17   1.055   2.505   3.292
  113   1HG   ARG  17          1HG       ARG  17   0.671   4.157   5.173
  114   2HG   ARG  17          2HG       ARG  17   1.871   2.892   5.448
  115   1HD   ARG  17          1HD       ARG  17   3.271   5.019   4.283
  116   2HD   ARG  17          2HD       ARG  17   2.185   5.757   5.464
  117    HE   ARG  17           HE       ARG  17   3.289   3.644   6.797
  118   1HH1  ARG  17          2HH1      ARG  17   4.584   6.417   5.094
  119   2HH1  ARG  17          1HH1      ARG  17   6.023   6.507   6.063
  120   1HH2  ARG  17          2HH2      ARG  17   5.155   3.765   8.084
  121   2HH2  ARG  17          1HH2      ARG  17   6.347   4.993   7.781
  122    H    SER  18           H        SER  18   2.805   0.855   3.580
  123    HA   SER  18           HA       SER  18   2.698  -0.298   0.902
  124   1HB   SER  18          1HB       SER  18   4.543  -1.914   2.229
  125   2HB   SER  18          2HB       SER  18   4.880  -0.805   0.906
  126    HG   SER  18           HG       SER  18   4.771   0.134   3.572
  127    H    PHE  19           H        PHE  19   1.227  -1.893   0.857
  128    HA   PHE  19           HA       PHE  19   0.510  -3.102   3.449
  129   1HB   PHE  19          1HB       PHE  19  -1.222  -2.094   1.202
  130   2HB   PHE  19          2HB       PHE  19  -1.834  -3.187   2.439
  131    HD1  PHE  19           1HD      PHE  19  -0.345   0.139   1.881
  132    HD2  PHE  19           2HD      PHE  19  -2.474  -2.400   4.538
  133    HE1  PHE  19           1HE      PHE  19  -0.785   2.061   3.341
  134    HE2  PHE  19           2HE      PHE  19  -2.903  -0.501   6.026
  135    HZ   PHE  19           HZ       PHE  19  -2.056   1.749   5.426
  136    H    SER  20           H        SER  20  -0.838  -5.037   3.241
  137    HA   SER  20           HA       SER  20  -0.235  -6.650   0.861
  138   1HB   SER  20          1HB       SER  20  -0.489  -7.782   3.655
  139   2HB   SER  20          2HB       SER  20   0.056  -8.614   2.200
  140    HG   SER  20           HG       SER  20   1.935  -7.427   2.226
  141    H    ARG  21           H        ARG  21  -2.463  -5.182   2.864
  142    HA   ARG  21           HA       ARG  21  -4.640  -7.051   2.242
  143   1HB   ARG  21          1HB       ARG  21  -4.512  -4.720   4.164
  144   2HB   ARG  21          2HB       ARG  21  -5.958  -5.662   3.856
  145   1HG   ARG  21          1HG       ARG  21  -5.243  -6.719   5.721
  146   2HG   ARG  21          2HG       ARG  21  -4.359  -7.662   4.521
  147   1HD   ARG  21          1HD       ARG  21  -2.698  -7.181   6.041
  148   2HD   ARG  21          2HD       ARG  21  -2.504  -5.872   4.877
  149    HE   ARG  21           HE       ARG  21  -2.997  -4.389   6.535
  150   1HH1  ARG  21          2HH1      ARG  21  -4.352  -7.499   7.461
  151   2HH1  ARG  21          1HH1      ARG  21  -4.761  -6.977   9.066
  152   1HH2  ARG  21          2HH2      ARG  21  -3.474  -3.741   8.669
  153   2HH2  ARG  21          1HH2      ARG  21  -4.262  -4.858   9.756
  154    H    SER  22           H        SER  22  -5.870  -6.625   0.541
  155    HA   SER  22           HA       SER  22  -5.659  -4.191  -0.912
  156   1HB   SER  22          1HB       SER  22  -7.951  -5.723  -1.702
  157   2HB   SER  22          2HB       SER  22  -6.413  -5.522  -2.544
  158    HG   SER  22           HG       SER  22  -6.305  -7.607  -2.136
  159    H    ASP  23           H        ASP  23  -7.778  -5.249   1.610
  160    HA   ASP  23           HA       ASP  23  -9.785  -3.216   0.928
  161   1HB   ASP  23          1HB       ASP  23 -11.168  -4.807   1.696
  162   2HB   ASP  23          2HB       ASP  23  -9.819  -5.758   2.298
  163    H    HIS  24           H        HIS  24  -6.990  -3.519   2.650
  164    HA   HIS  24           HA       HIS  24  -7.880  -1.563   4.638
  165   1HB   HIS  24          1HB       HIS  24  -5.887  -3.669   4.694
  166   2HB   HIS  24          2HB       HIS  24  -5.241  -2.129   5.261
  167    HD1  HIS  24           1HD      HIS  24  -5.163  -3.131   7.685
  168    HD2  HIS  24           2HD      HIS  24  -8.967  -2.762   6.047
  169    HE1  HIS  24           1HE      HIS  24  -6.757  -3.421   9.611
  170    HE2  HIS  24           2HE      HIS  24  -9.052  -3.383   8.568
  171    H    LEU  25           H        LEU  25  -5.410  -1.994   2.161
  172    HA   LEU  25           HA       LEU  25  -4.385   0.670   2.419
  173   1HB   LEU  25          1HB       LEU  25  -2.824  -0.663   1.436
  174   2HB   LEU  25          2HB       LEU  25  -4.019  -1.663   0.634
  175    HG   LEU  25           HG       LEU  25  -4.308   0.666  -0.735
  176   1HD1  LEU  25          1HD1      LEU  25  -2.308   1.479   0.657
  177   2HD1  LEU  25          2HD1      LEU  25  -1.346   0.434  -0.390
  178   3HD1  LEU  25          3HD1      LEU  25  -2.289   1.752  -1.086
  179   1HD2  LEU  25          1HD2      LEU  25  -2.217  -0.801  -1.977
  180   2HD2  LEU  25          2HD2      LEU  25  -3.300  -1.943  -1.175
  181   3HD2  LEU  25          3HD2      LEU  25  -3.939  -0.795  -2.354
  182    H    ALA  26           H        ALA  26  -7.100  -0.791   0.861
  183    HA   ALA  26           HA       ALA  26  -7.559   1.329  -1.033
  184   1HB   ALA  26          1HB       ALA  26  -8.877  -1.141  -0.274
  185   2HB   ALA  26          2HB       ALA  26 -10.024   0.183  -0.490
  186   3HB   ALA  26          3HB       ALA  26  -8.927  -0.255  -1.798
  187    H    LEU  27           H        LEU  27  -8.675   0.513   2.224
  188    HA   LEU  27           HA       LEU  27 -10.392   2.766   2.558
  189   1HB   LEU  27          1HB       LEU  27  -9.001   0.944   4.518
  190   2HB   LEU  27          2HB       LEU  27 -10.016   2.274   5.035
  191    HG   LEU  27           HG       LEU  27 -10.792  -0.301   3.724
  192   1HD1  LEU  27          1HD1      LEU  27 -12.657   0.090   5.500
  193   2HD1  LEU  27          2HD1      LEU  27 -11.058  -0.463   5.999
  194   3HD1  LEU  27          3HD1      LEU  27 -11.500   1.234   6.181
  195   1HD2  LEU  27          1HD2      LEU  27 -12.417   2.243   3.690
  196   2HD2  LEU  27          2HD2      LEU  27 -11.808   1.358   2.291
  197   3HD2  LEU  27          3HD2      LEU  27 -13.043   0.634   3.323
  198    H    HIS  28           H        HIS  28  -7.088   2.012   3.456
  199    HA   HIS  28           HA       HIS  28  -6.378   4.359   4.763
  200   1HB   HIS  28          1HB       HIS  28  -4.907   2.547   4.957
  201   2HB   HIS  28          2HB       HIS  28  -4.875   2.273   3.227
  202    HD1  HIS  28           1HD      HIS  28  -3.075   3.982   5.939
  203    HD2  HIS  28           2HD      HIS  28  -3.209   4.091   1.791
  204    HE1  HIS  28           1HE      HIS  28  -1.012   5.231   5.175
  205    H    ARG  29           H        ARG  29  -6.362   3.567   1.328
  206    HA   ARG  29           HA       ARG  29  -5.176   6.079   0.587
  207   1HB   ARG  29          1HB       ARG  29  -6.212   3.690  -0.893
  208   2HB   ARG  29          2HB       ARG  29  -5.848   5.181  -1.764
  209   1HG   ARG  29          1HG       ARG  29  -3.591   4.906  -0.310
  210   2HG   ARG  29          2HG       ARG  29  -4.042   3.214  -0.534
  211   1HD   ARG  29          1HD       ARG  29  -2.873   3.481  -2.450
  212   2HD   ARG  29          2HD       ARG  29  -4.426   4.089  -3.023
  213    HE   ARG  29           HE       ARG  29  -2.834   6.168  -1.899
  214   1HH1  ARG  29          2HH1      ARG  29  -3.222   4.195  -4.764
  215   2HH1  ARG  29          1HH1      ARG  29  -2.528   5.381  -5.832
  216   1HH2  ARG  29          2HH2      ARG  29  -1.910   7.724  -3.292
  217   2HH2  ARG  29          1HH2      ARG  29  -1.773   7.397  -4.994
  218    H    LYS  30           H        LYS  30  -8.404   4.815   0.911
  219    HA   LYS  30           HA       LYS  30  -9.716   6.842  -0.612
  220   1HB   LYS  30          1HB       LYS  30 -10.480   4.603   1.071
  221   2HB   LYS  30          2HB       LYS  30 -11.497   6.006   1.365
  222   1HG   LYS  30          1HG       LYS  30 -12.686   5.431  -0.410
  223   2HG   LYS  30          2HG       LYS  30 -11.282   5.801  -1.414
  224   1HD   LYS  30          1HD       LYS  30 -11.865   3.592  -1.970
  225   2HD   LYS  30          2HD       LYS  30 -10.481   3.447  -0.884
  226   1HE   LYS  30          2HE       LYS  30 -11.738   2.003   0.265
  227   2HE   LYS  30          1HE       LYS  30 -12.607   3.422   0.847
  228   1HZ   LYS  30          1HZ       LYS  30 -13.434   1.389  -1.050
  229   2HZ   LYS  30          2HZ       LYS  30 -13.854   2.981  -1.467
  230   3HZ   LYS  30          3HZ       LYS  30 -14.363   2.327   0.015
  231    H    ARG  31           H        ARG  31  -8.826   6.423   2.760
  232    HA   ARG  31           HA       ARG  31 -10.035   8.787   3.748
  233   1HB   ARG  31          1HB       ARG  31  -8.103   6.757   4.718
  234   2HB   ARG  31          2HB       ARG  31  -8.083   8.312   5.534
  235   1HG   ARG  31          1HG       ARG  31  -9.531   6.516   6.544
  236   2HG   ARG  31          2HG       ARG  31 -10.289   8.082   6.271
  237   1HD   ARG  31          1HD       ARG  31 -10.640   6.487   3.938
  238   2HD   ARG  31          2HD       ARG  31 -11.110   5.533   5.345
  239    HE   ARG  31           HE       ARG  31 -12.462   7.840   4.270
  240   1HH1  ARG  31          2HH1      ARG  31 -12.008   5.775   7.062
  241   2HH1  ARG  31          1HH1      ARG  31 -13.416   6.370   7.896
  242   1HH2  ARG  31          2HH2      ARG  31 -14.337   8.612   5.350
  243   2HH2  ARG  31          1HH2      ARG  31 -14.735   7.985   6.923
  244    H    HIS  32           H        HIS  32  -7.316   8.291   1.815
  245    HA   HIS  32           HA       HIS  32  -5.585  10.307   2.804
  246   1HB   HIS  32          1HB       HIS  32  -5.726   8.498   0.509
  247   2HB   HIS  32          2HB       HIS  32  -4.968  10.041   0.143
  248    HD1  HIS  32           1HD      HIS  32  -3.368  10.484   2.758
  249    HD2  HIS  32           2HD      HIS  32  -3.627   6.871   0.713
  250    HE1  HIS  32           1HE      HIS  32  -1.271   9.171   3.335
  251    H    MET  33           H        MET  33  -8.338  10.326   0.708
  252    HA   MET  33           HA       MET  33  -7.791  12.724  -0.684
  253   1HB   MET  33          1HB       MET  33 -10.566  11.746  -0.035
  254   2HB   MET  33          2HB       MET  33 -10.029  12.646  -1.445
  255   1HG   MET  33          1HG       MET  33  -8.719  10.670  -2.149
  256   2HG   MET  33          2HG       MET  33  -9.401   9.779  -0.793
  257   1HE   MET  33          1HE       MET  33 -11.658   9.294  -0.378
  258   2HE   MET  33          2HE       MET  33 -12.762  10.552  -0.937
  259   3HE   MET  33          3HE       MET  33 -12.855   8.928  -1.618
  260    H    LEU  34           H        LEU  34  -9.302  11.990   2.376
  261    HA   LEU  34           HA       LEU  34  -9.982  13.230   4.138
  262   1HB   LEU  34          1HB       LEU  34  -7.527  14.265   3.258
  263   2HB   LEU  34          2HB       LEU  34  -8.531  15.660   3.611
  264    HG   LEU  34           HG       LEU  34  -8.758  13.710   5.715
  265   1HD1  LEU  34          1HD1      LEU  34  -6.654  12.893   5.606
  266   2HD1  LEU  34          2HD1      LEU  34  -6.056  14.263   4.668
  267   3HD1  LEU  34          3HD1      LEU  34  -6.262  14.412   6.414
  268   1HD2  LEU  34          1HD2      LEU  34  -9.238  16.216   5.667
  269   2HD2  LEU  34          2HD2      LEU  34  -8.420  15.573   7.092
  270   3HD2  LEU  34          3HD2      LEU  34  -7.499  16.428   5.857
  271    H    VAL  35           H        VAL  35 -11.812  13.305   2.236
  272    HA   VAL  35           HA       VAL  35 -12.799  16.070   2.359
  273    HB   VAL  35           HB       VAL  35 -14.055  15.514   0.191
  274   1HG1  VAL  35          1HG1      VAL  35 -11.575  16.699   0.683
  275   2HG1  VAL  35          2HG1      VAL  35 -11.339  15.691  -0.746
  276   3HG1  VAL  35          3HG1      VAL  35 -12.604  16.919  -0.732
  277   1HG2  VAL  35          1HG2      VAL  35 -13.531  13.711  -1.064
  278   2HG2  VAL  35          2HG2      VAL  35 -11.834  13.735  -0.586
  279   3HG2  VAL  35          3HG2      VAL  35 -13.044  13.036   0.491
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  10.074 -12.172  10.521
    2   2H    GLY   1          2H        GLY   1  10.322 -10.497  10.468
    3   3H    GLY   1          3H        GLY   1  11.535 -11.550   9.931
    4   1HA   GLY   1          2HA       GLY   1  10.746 -11.384   7.891
    5   2HA   GLY   1          1HA       GLY   1   9.312 -12.222   8.461
    6    H    SER   2           H        SER   2  10.768  -8.994   8.199
    7    HA   SER   2           HA       SER   2   8.051  -7.863   8.099
    8   1HB   SER   2          1HB       SER   2  10.020  -5.809   8.167
    9   2HB   SER   2          2HB       SER   2   8.857  -6.243   9.422
   10    HG   SER   2           HG       SER   2  11.553  -6.763   9.251
   11    H    THR   3           H        THR   3   7.394  -7.911   6.023
   12    HA   THR   3           HA       THR   3   9.149  -7.789   3.814
   13    HB   THR   3           HB       THR   3   6.374  -7.046   3.243
   14    HG1  THR   3           1HG      THR   3   6.821  -9.614   4.409
   15   1HG2  THR   3          1HG2      THR   3   7.221  -9.639   2.321
   16   2HG2  THR   3          2HG2      THR   3   8.485  -8.442   2.039
   17   3HG2  THR   3          3HG2      THR   3   6.865  -8.184   1.391
   18    H    GLY   4           H        GLY   4   9.915  -6.137   2.672
   19   1HA   GLY   4          1HA       GLY   4   8.968  -3.426   3.342
   20   2HA   GLY   4          2HA       GLY   4  10.527  -3.807   2.622
   21    H    ILE   5           H        ILE   5   9.128  -5.819   0.890
   22    HA   ILE   5           HA       ILE   5   8.230  -3.931  -1.164
   23    HB   ILE   5           HB       ILE   5   9.086  -6.820  -1.401
   24   1HG1  ILE   5          2HG1      ILE   5  11.015  -5.499  -0.965
   25   2HG1  ILE   5          1HG1      ILE   5  10.998  -5.775  -2.704
   26   1HG2  ILE   5          1HG2      ILE   5   8.739  -6.730  -3.692
   27   2HG2  ILE   5          2HG2      ILE   5   7.337  -5.873  -3.053
   28   3HG2  ILE   5          3HG2      ILE   5   8.695  -4.968  -3.719
   29   1HD1  ILE   5          1HD1      ILE   5  10.087  -3.542  -3.050
   30   2HD1  ILE   5          2HD1      ILE   5  10.096  -3.270  -1.305
   31   3HD1  ILE   5          3HD1      ILE   5  11.615  -3.490  -2.169
   32    H    LYS   6           H        LYS   6   6.114  -3.635  -1.201
   33    HA   LYS   6           HA       LYS   6   4.375  -5.979  -0.791
   34   1HB   LYS   6          1HB       LYS   6   4.011  -3.123   0.102
   35   2HB   LYS   6          2HB       LYS   6   2.642  -4.204  -0.100
   36   1HG   LYS   6          1HG       LYS   6   3.019  -4.635   2.070
   37   2HG   LYS   6          2HG       LYS   6   4.181  -5.781   1.402
   38   1HD   LYS   6          1HD       LYS   6   5.908  -4.679   2.296
   39   2HD   LYS   6          2HD       LYS   6   5.317  -3.126   1.695
   40   1HE   LYS   6          2HE       LYS   6   3.645  -3.181   3.589
   41   2HE   LYS   6          1HE       LYS   6   4.559  -4.539   4.242
   42   1HZ   LYS   6          1HZ       LYS   6   6.514  -2.776   3.861
   43   2HZ   LYS   6          2HZ       LYS   6   5.639  -2.899   5.306
   44   3HZ   LYS   6          3HZ       LYS   6   5.230  -1.715   4.166
   45    HA   PRO   7           HA       PRO   7   2.886  -5.180  -4.840
   46   1HB   PRO   7          1HB       PRO   7   0.507  -6.465  -4.718
   47   2HB   PRO   7          2HB       PRO   7   2.048  -7.324  -4.772
   48   1HG   PRO   7          1HG       PRO   7   0.239  -6.806  -2.469
   49   2HG   PRO   7          2HG       PRO   7   1.246  -8.223  -2.806
   50   1HD   PRO   7          1HD       PRO   7   1.874  -6.180  -1.021
   51   2HD   PRO   7          2HD       PRO   7   3.044  -7.315  -1.732
   52    H    PHE   8           H        PHE   8   0.999  -4.426  -2.040
   53    HA   PHE   8           HA       PHE   8  -0.660  -2.544  -3.545
   54   1HB   PHE   8          1HB       PHE   8  -0.984  -3.419  -0.679
   55   2HB   PHE   8          2HB       PHE   8  -2.166  -2.578  -1.674
   56    HD1  PHE   8           1HD      PHE   8  -2.961  -4.856  -0.173
   57    HD2  PHE   8           2HD      PHE   8  -1.134  -4.725  -4.005
   58    HE1  PHE   8           1HE      PHE   8  -3.970  -7.030  -0.720
   59    HE2  PHE   8           2HE      PHE   8  -2.156  -6.886  -4.573
   60    HZ   PHE   8           HZ       PHE   8  -3.575  -8.045  -2.929
   61    H    GLN   9           H        GLN   9   1.737  -1.588  -3.480
   62    HA   GLN   9           HA       GLN   9   2.441  -0.191  -1.086
   63   1HB   GLN   9          1HB       GLN   9   4.113  -0.962  -2.721
   64   2HB   GLN   9          2HB       GLN   9   3.445   0.133  -3.920
   65   1HG   GLN   9          1HG       GLN   9   4.017   1.731  -1.712
   66   2HG   GLN   9          2HG       GLN   9   5.382   0.624  -1.856
   67   1HE2  GLN   9          1HE2      GLN   9   5.354   3.458  -2.301
   68   2HE2  GLN   9          2HE2      GLN   9   5.812   3.721  -3.953
   69    H    CYS  10           H        CYS  10   1.578   1.641  -0.390
   70    HA   CYS  10           HA       CYS  10  -0.393   3.050  -1.850
   71   1HB   CYS  10          1HB       CYS  10  -0.746   3.419   0.387
   72   2HB   CYS  10          2HB       CYS  10   0.973   3.448   0.764
   73    H    THR  11           H        THR  11  -0.250   4.640  -3.264
   74    HA   THR  11           HA       THR  11   2.391   5.476  -4.094
   75    HB   THR  11           HB       THR  11   0.247   6.602  -5.667
   76    HG1  THR  11           1HG      THR  11  -0.538   4.468  -6.369
   77   1HG2  THR  11          1HG2      THR  11   1.870   4.335  -6.659
   78   2HG2  THR  11          2HG2      THR  11   2.754   5.762  -6.122
   79   3HG2  THR  11          3HG2      THR  11   1.544   5.902  -7.397
   80    H    TRP  12           H        TRP  12   1.220   6.642  -1.626
   81    HA   TRP  12           HA       TRP  12   0.880   9.438  -2.448
   82   1HB   TRP  12          1HB       TRP  12  -0.338   8.042  -0.455
   83   2HB   TRP  12          2HB       TRP  12   0.984   8.800   0.428
   84    HD1  TRP  12           HD       TRP  12   0.811  11.347   0.923
   85    HE1  TRP  12           1HE      TRP  12  -1.003  13.132   0.544
   86    HE3  TRP  12           3HE      TRP  12  -2.280   8.705  -2.162
   87    HZ2  TRP  12           2HZ      TRP  12  -3.435  13.378  -0.865
   88    HZ3  TRP  12           3HZ      TRP  12  -4.342   9.783  -2.972
   89    HH2  TRP  12           HH       TRP  12  -4.905  12.070  -2.337
   90    HA   PRO  13           HA       PRO  13   5.210  10.013  -2.289
   91   1HB   PRO  13          1HB       PRO  13   4.474  12.845  -1.728
   92   2HB   PRO  13          2HB       PRO  13   5.530  12.179  -2.979
   93   1HG   PRO  13          1HG       PRO  13   3.086  13.017  -3.598
   94   2HG   PRO  13          2HG       PRO  13   3.747  11.540  -4.328
   95   1HD   PRO  13          1HD       PRO  13   1.740  11.838  -2.135
   96   2HD   PRO  13          2HD       PRO  13   1.804  10.651  -3.453
   97    H    ASP  14           H        ASP  14   3.770  12.318   0.035
   98    HA   ASP  14           HA       ASP  14   5.975  12.147   1.797
   99   1HB   ASP  14          1HB       ASP  14   4.783  14.133   1.980
  100   2HB   ASP  14          2HB       ASP  14   3.221  13.319   1.974
  101    H    CYS  15           H        CYS  15   2.889  10.500   1.696
  102    HA   CYS  15           HA       CYS  15   2.945   9.322   4.246
  103   1HB   CYS  15          1HB       CYS  15   0.929   9.455   2.896
  104   2HB   CYS  15          2HB       CYS  15   1.645   8.417   1.673
  105    H    ASP  16           H        ASP  16   3.654   7.802   1.096
  106    HA   ASP  16           HA       ASP  16   5.039   6.121   0.470
  107   1HB   ASP  16          1HB       ASP  16   6.696   7.759   1.527
  108   2HB   ASP  16          2HB       ASP  16   6.688   6.671   2.902
  109    H    ARG  17           H        ARG  17   2.955   5.025   1.388
  110    HA   ARG  17           HA       ARG  17   3.661   3.191   3.567
  111   1HB   ARG  17          1HB       ARG  17   1.211   4.475   2.668
  112   2HB   ARG  17          2HB       ARG  17   0.998   2.741   2.911
  113   1HG   ARG  17          1HG       ARG  17   0.532   4.297   4.879
  114   2HG   ARG  17          2HG       ARG  17   1.533   2.872   5.171
  115   1HD   ARG  17          1HD       ARG  17   3.315   4.863   4.387
  116   2HD   ARG  17          2HD       ARG  17   2.180   5.671   5.468
  117    HE   ARG  17           HE       ARG  17   2.908   3.283   6.693
  118   1HH1  ARG  17          2HH1      ARG  17   4.482   6.246   5.678
  119   2HH1  ARG  17          1HH1      ARG  17   5.690   6.180   6.927
  120   1HH2  ARG  17          2HH2      ARG  17   4.464   3.186   8.328
  121   2HH2  ARG  17          1HH2      ARG  17   5.670   4.437   8.461
  122    H    SER  18           H        SER  18   2.772   0.915   3.319
  123    HA   SER  18           HA       SER  18   2.549  -0.057   0.596
  124   1HB   SER  18          1HB       SER  18   4.419  -1.813   1.291
  125   2HB   SER  18          2HB       SER  18   4.850  -0.271   0.548
  126    HG   SER  18           HG       SER  18   5.435   0.528   2.512
  127    H    PHE  19           H        PHE  19   1.106  -1.693   0.561
  128    HA   PHE  19           HA       PHE  19   0.486  -2.962   3.155
  129   1HB   PHE  19          1HB       PHE  19  -1.342  -2.056   0.928
  130   2HB   PHE  19          2HB       PHE  19  -1.870  -3.083   2.255
  131    HD1  PHE  19           1HD      PHE  19  -0.552   0.251   1.399
  132    HD2  PHE  19           2HD      PHE  19  -2.378  -2.198   4.358
  133    HE1  PHE  19           1HE      PHE  19  -1.003   2.250   2.756
  134    HE2  PHE  19           2HE      PHE  19  -2.809  -0.211   5.743
  135    HZ   PHE  19           HZ       PHE  19  -2.125   2.018   4.939
  136    H    SER  20           H        SER  20  -0.374  -5.033   3.158
  137    HA   SER  20           HA       SER  20  -0.121  -6.557   0.654
  138   1HB   SER  20          1HB       SER  20  -0.130  -8.273   2.977
  139   2HB   SER  20          2HB       SER  20   1.086  -8.144   1.706
  140    HG   SER  20           HG       SER  20   2.260  -7.407   3.318
  141    H    ARG  21           H        ARG  21  -2.067  -5.181   2.900
  142    HA   ARG  21           HA       ARG  21  -4.263  -7.105   2.611
  143   1HB   ARG  21          1HB       ARG  21  -4.345  -4.678   4.389
  144   2HB   ARG  21          2HB       ARG  21  -5.282  -6.158   4.508
  145   1HG   ARG  21          1HG       ARG  21  -3.809  -6.364   6.267
  146   2HG   ARG  21          2HG       ARG  21  -2.995  -7.276   4.996
  147   1HD   ARG  21          1HD       ARG  21  -1.212  -5.977   5.238
  148   2HD   ARG  21          2HD       ARG  21  -2.174  -4.591   4.735
  149    HE   ARG  21           HE       ARG  21  -2.178  -3.857   6.894
  150   1HH1  ARG  21          2HH1      ARG  21  -1.264  -7.247   6.868
  151   2HH1  ARG  21          1HH1      ARG  21  -0.940  -7.301   8.577
  152   1HH2  ARG  21          2HH2      ARG  21  -1.651  -3.911   9.121
  153   2HH2  ARG  21          1HH2      ARG  21  -1.115  -5.397   9.840
  154    H    SER  22           H        SER  22  -5.529  -6.701   0.933
  155    HA   SER  22           HA       SER  22  -5.528  -4.274  -0.496
  156   1HB   SER  22          1HB       SER  22  -7.913  -5.832  -0.984
  157   2HB   SER  22          2HB       SER  22  -6.526  -5.561  -2.040
  158    HG   SER  22           HG       SER  22  -6.019  -7.554  -1.658
  159    H    ASP  23           H        ASP  23  -7.621  -5.522   2.018
  160    HA   ASP  23           HA       ASP  23  -9.647  -3.521   1.659
  161   1HB   ASP  23          1HB       ASP  23 -10.604  -5.379   2.587
  162   2HB   ASP  23          2HB       ASP  23  -9.158  -5.791   3.489
  163    H    HIS  24           H        HIS  24  -6.614  -3.557   3.053
  164    HA   HIS  24           HA       HIS  24  -7.327  -1.429   4.900
  165   1HB   HIS  24          1HB       HIS  24  -5.310  -3.379   5.009
  166   2HB   HIS  24          2HB       HIS  24  -4.491  -1.822   4.832
  167    HD1  HIS  24           1HD      HIS  24  -3.730  -2.049   7.384
  168    HD2  HIS  24           2HD      HIS  24  -7.816  -1.707   6.691
  169    HE1  HIS  24           1HE      HIS  24  -4.751  -1.518   9.627
  170    HE2  HIS  24           2HE      HIS  24  -7.240  -1.424   9.214
  171    H    LEU  25           H        LEU  25  -5.144  -1.905   2.149
  172    HA   LEU  25           HA       LEU  25  -4.380   0.818   2.014
  173   1HB   LEU  25          1HB       LEU  25  -2.869  -0.548   0.971
  174   2HB   LEU  25          2HB       LEU  25  -4.107  -1.600   0.310
  175    HG   LEU  25           HG       LEU  25  -4.573   0.738  -1.028
  176   1HD1  LEU  25          1HD1      LEU  25  -2.383   1.499   0.086
  177   2HD1  LEU  25          2HD1      LEU  25  -1.602   0.429  -1.082
  178   3HD1  LEU  25          3HD1      LEU  25  -2.594   1.775  -1.646
  179   1HD2  LEU  25          1HD2      LEU  25  -3.680  -1.900  -1.568
  180   2HD2  LEU  25          2HD2      LEU  25  -4.479  -0.759  -2.654
  181   3HD2  LEU  25          3HD2      LEU  25  -2.719  -0.780  -2.538
  182    H    ALA  26           H        ALA  26  -7.142  -0.950   0.721
  183    HA   ALA  26           HA       ALA  26  -7.789   1.063  -1.223
  184   1HB   ALA  26          1HB       ALA  26  -9.001  -1.412  -0.232
  185   2HB   ALA  26          2HB       ALA  26 -10.176  -0.161  -0.641
  186   3HB   ALA  26          3HB       ALA  26  -9.014  -0.708  -1.848
  187    H    LEU  27           H        LEU  27  -8.666   0.486   2.176
  188    HA   LEU  27           HA       LEU  27 -10.459   2.756   2.188
  189   1HB   LEU  27          1HB       LEU  27 -11.172   2.046   4.207
  190   2HB   LEU  27          2HB       LEU  27 -10.450   0.544   3.677
  191    HG   LEU  27           HG       LEU  27  -8.338   1.693   4.947
  192   1HD1  LEU  27          1HD1      LEU  27  -9.779   2.268   7.187
  193   2HD1  LEU  27          2HD1      LEU  27  -9.088   3.467   6.094
  194   3HD1  LEU  27          3HD1      LEU  27 -10.776   2.987   5.922
  195   1HD2  LEU  27          1HD2      LEU  27 -10.160   0.269   6.746
  196   2HD2  LEU  27          2HD2      LEU  27  -9.854  -0.542   5.209
  197   3HD2  LEU  27          3HD2      LEU  27  -8.506  -0.113   6.262
  198    H    HIS  28           H        HIS  28  -7.182   2.004   3.116
  199    HA   HIS  28           HA       HIS  28  -6.474   4.363   4.460
  200   1HB   HIS  28          1HB       HIS  28  -4.991   2.506   4.536
  201   2HB   HIS  28          2HB       HIS  28  -4.940   2.390   2.790
  202    HD1  HIS  28           1HD      HIS  28  -3.235   3.935   5.669
  203    HD2  HIS  28           2HD      HIS  28  -3.249   4.297   1.531
  204    HE1  HIS  28           1HE      HIS  28  -1.152   5.220   5.042
  205    H    ARG  29           H        ARG  29  -6.771   3.576   1.073
  206    HA   ARG  29           HA       ARG  29  -5.586   6.054   0.205
  207   1HB   ARG  29          1HB       ARG  29  -6.801   3.684  -1.192
  208   2HB   ARG  29          2HB       ARG  29  -6.385   5.154  -2.077
  209   1HG   ARG  29          1HG       ARG  29  -4.111   4.654  -0.613
  210   2HG   ARG  29          2HG       ARG  29  -4.669   3.038  -1.049
  211   1HD   ARG  29          1HD       ARG  29  -3.420   3.517  -2.892
  212   2HD   ARG  29          2HD       ARG  29  -4.976   4.171  -3.408
  213    HE   ARG  29           HE       ARG  29  -3.455   6.152  -2.060
  214   1HH1  ARG  29          2HH1      ARG  29  -3.586   4.429  -5.110
  215   2HH1  ARG  29          1HH1      ARG  29  -2.885   5.737  -6.020
  216   1HH2  ARG  29          2HH2      ARG  29  -2.556   7.872  -3.258
  217   2HH2  ARG  29          1HH2      ARG  29  -2.306   7.707  -4.968
  218    H    LYS  30           H        LYS  30  -8.785   4.824   0.796
  219    HA   LYS  30           HA       LYS  30 -10.204   6.807  -0.675
  220   1HB   LYS  30          1HB       LYS  30 -10.841   4.571   1.014
  221   2HB   LYS  30          2HB       LYS  30 -11.788   5.970   1.499
  222   1HG   LYS  30          1HG       LYS  30 -13.194   5.468  -0.132
  223   2HG   LYS  30          2HG       LYS  30 -11.937   5.945  -1.275
  224   1HD   LYS  30          1HD       LYS  30 -12.316   3.823  -2.012
  225   2HD   LYS  30          2HD       LYS  30 -11.088   3.484  -0.788
  226   1HE   LYS  30          2HE       LYS  30 -12.643   1.958  -0.143
  227   2HE   LYS  30          1HE       LYS  30 -13.240   3.346   0.764
  228   1HZ   LYS  30          1HZ       LYS  30 -15.059   3.525  -0.525
  229   2HZ   LYS  30          2HZ       LYS  30 -14.763   1.883  -0.844
  230   3HZ   LYS  30          3HZ       LYS  30 -14.254   3.069  -1.946
  231    H    ARG  31           H        ARG  31  -8.977   6.576   2.609
  232    HA   ARG  31           HA       ARG  31 -10.158   9.143   3.304
  233   1HB   ARG  31          1HB       ARG  31  -9.410   8.726   5.538
  234   2HB   ARG  31          2HB       ARG  31 -10.120   7.239   4.926
  235   1HG   ARG  31          1HG       ARG  31  -7.507   6.897   4.268
  236   2HG   ARG  31          2HG       ARG  31  -7.381   7.810   5.775
  237   1HD   ARG  31          1HD       ARG  31  -9.396   5.823   6.074
  238   2HD   ARG  31          2HD       ARG  31  -7.951   5.057   5.418
  239    HE   ARG  31           HE       ARG  31  -6.788   6.248   7.364
  240   1HH1  ARG  31          2HH1      ARG  31 -10.120   5.147   7.467
  241   2HH1  ARG  31          1HH1      ARG  31 -10.080   4.792   9.168
  242   1HH2  ARG  31          2HH2      ARG  31  -6.755   5.835   9.615
  243   2HH2  ARG  31          1HH2      ARG  31  -8.175   5.190  10.392
  244    H    HIS  32           H        HIS  32  -7.797   8.528   1.382
  245    HA   HIS  32           HA       HIS  32  -5.676  10.098   2.589
  246   1HB   HIS  32          1HB       HIS  32  -5.871   8.191   0.473
  247   2HB   HIS  32          2HB       HIS  32  -5.204   9.683  -0.178
  248    HD1  HIS  32           1HD      HIS  32  -3.555  10.459   2.440
  249    HD2  HIS  32           2HD      HIS  32  -3.556   6.778   0.493
  250    HE1  HIS  32           1HE      HIS  32  -1.359   9.330   3.023
  251    H    MET  33           H        MET  33  -8.533  10.863   1.268
  252    HA   MET  33           HA       MET  33  -7.781  12.861  -0.616
  253   1HB   MET  33          1HB       MET  33 -10.405  12.685   0.874
  254   2HB   MET  33          2HB       MET  33 -10.102  13.481  -0.662
  255   1HG   MET  33          1HG       MET  33  -9.500  11.197  -1.570
  256   2HG   MET  33          2HG       MET  33 -10.172  10.542  -0.078
  257   1HE   MET  33          1HE       MET  33 -12.378  12.069   0.746
  258   2HE   MET  33          2HE       MET  33 -13.833  11.879  -0.230
  259   3HE   MET  33          3HE       MET  33 -12.981  10.456   0.367
  260    H    LEU  34           H        LEU  34  -8.184  12.796   2.845
  261    HA   LEU  34           HA       LEU  34  -7.305  15.576   2.906
  262   1HB   LEU  34          1HB       LEU  34  -9.147  16.377   3.872
  263   2HB   LEU  34          2HB       LEU  34  -9.913  14.854   3.472
  264    HG   LEU  34           HG       LEU  34  -8.418  14.768   5.987
  265   1HD1  LEU  34          1HD1      LEU  34 -10.852  16.101   6.616
  266   2HD1  LEU  34          2HD1      LEU  34  -9.198  16.570   7.010
  267   3HD1  LEU  34          3HD1      LEU  34  -9.928  17.101   5.495
  268   1HD2  LEU  34          1HD2      LEU  34 -10.358  13.608   6.751
  269   2HD2  LEU  34          2HD2      LEU  34 -11.313  14.192   5.387
  270   3HD2  LEU  34          3HD2      LEU  34 -10.002  13.041   5.118
  271    H    VAL  35           H        VAL  35  -6.438  12.703   3.548
  272    HA   VAL  35           HA       VAL  35  -4.702  13.541   5.685
  273    HB   VAL  35           HB       VAL  35  -5.443  10.810   6.298
  274   1HG1  VAL  35          1HG1      VAL  35  -5.779  13.113   8.156
  275   2HG1  VAL  35          2HG1      VAL  35  -5.131  11.501   8.462
  276   3HG1  VAL  35          3HG1      VAL  35  -4.168  12.688   7.585
  277   1HG2  VAL  35          1HG2      VAL  35  -7.663  10.860   6.360
  278   2HG2  VAL  35          2HG2      VAL  35  -7.590  12.213   7.486
  279   3HG2  VAL  35          3HG2      VAL  35  -7.665  12.516   5.751
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1   8.501 -15.597   4.907
    2   2H    GLY   1          2H        GLY   1   8.261 -14.857   6.417
    3   3H    GLY   1          3H        GLY   1   9.390 -16.109   6.259
    4   1HA   GLY   1          2HA       GLY   1  10.875 -14.464   6.111
    5   2HA   GLY   1          1HA       GLY   1  10.330 -14.415   4.440
    6    H    SER   2           H        SER   2  11.263 -12.354   6.533
    7    HA   SER   2           HA       SER   2   8.998 -10.646   6.919
    8   1HB   SER   2          1HB       SER   2  11.871  -9.765   7.111
    9   2HB   SER   2          2HB       SER   2  10.483  -9.207   8.046
   10    HG   SER   2           HG       SER   2  12.123 -10.870   8.941
   11    H    THR   3           H        THR   3   8.054  -9.965   5.092
   12    HA   THR   3           HA       THR   3   9.585  -9.170   2.796
   13    HB   THR   3           HB       THR   3   6.818  -8.417   2.618
   14    HG1  THR   3           1HG      THR   3   7.064 -11.175   3.174
   15   1HG2  THR   3          1HG2      THR   3   7.998  -8.985   0.654
   16   2HG2  THR   3          2HG2      THR   3   6.868 -10.315   0.917
   17   3HG2  THR   3          3HG2      THR   3   8.568 -10.504   1.344
   18    H    GLY   4           H        GLY   4  10.346  -7.204   2.414
   19   1HA   GLY   4          1HA       GLY   4   9.278  -4.948   3.983
   20   2HA   GLY   4          2HA       GLY   4  10.864  -4.995   3.216
   21    H    ILE   5           H        ILE   5   9.659  -6.235   0.807
   22    HA   ILE   5           HA       ILE   5   8.661  -3.768  -0.417
   23    HB   ILE   5           HB       ILE   5   9.707  -6.308  -1.687
   24   1HG1  ILE   5          2HG1      ILE   5  11.272  -4.143  -2.476
   25   2HG1  ILE   5          1HG1      ILE   5  10.970  -3.849  -0.766
   26   1HG2  ILE   5          1HG2      ILE   5   9.142  -5.549  -3.741
   27   2HG2  ILE   5          2HG2      ILE   5   7.894  -4.689  -2.839
   28   3HG2  ILE   5          3HG2      ILE   5   9.379  -3.857  -3.300
   29   1HD1  ILE   5          1HD1      ILE   5  11.733  -6.229  -0.374
   30   2HD1  ILE   5          2HD1      ILE   5  12.311  -6.209  -2.040
   31   3HD1  ILE   5          3HD1      ILE   5  12.967  -5.068  -0.866
   32    H    LYS   6           H        LYS   6   6.529  -3.589  -0.396
   33    HA   LYS   6           HA       LYS   6   4.895  -6.018  -0.544
   34   1HB   LYS   6          1HB       LYS   6   3.963  -3.228   0.149
   35   2HB   LYS   6          2HB       LYS   6   3.126  -4.754   0.437
   36   1HG   LYS   6          1HG       LYS   6   5.539  -5.065   1.745
   37   2HG   LYS   6          2HG       LYS   6   5.079  -3.392   2.071
   38   1HD   LYS   6          1HD       LYS   6   3.058  -4.027   3.067
   39   2HD   LYS   6          2HD       LYS   6   3.129  -5.649   2.376
   40   1HE   LYS   6          2HE       LYS   6   3.726  -6.037   4.563
   41   2HE   LYS   6          1HE       LYS   6   5.295  -5.864   3.779
   42   1HZ   LYS   6          1HZ       LYS   6   3.861  -3.749   5.295
   43   2HZ   LYS   6          2HZ       LYS   6   5.358  -3.556   4.517
   44   3HZ   LYS   6          3HZ       LYS   6   5.218  -4.616   5.833
   45    HA   PRO   7           HA       PRO   7   3.655  -4.946  -4.654
   46   1HB   PRO   7          1HB       PRO   7   1.437  -6.485  -4.857
   47   2HB   PRO   7          2HB       PRO   7   3.068  -7.160  -4.894
   48   1HG   PRO   7          1HG       PRO   7   1.076  -7.124  -2.680
   49   2HG   PRO   7          2HG       PRO   7   2.258  -8.370  -3.111
   50   1HD   PRO   7          1HD       PRO   7   2.559  -6.531  -1.059
   51   2HD   PRO   7          2HD       PRO   7   3.885  -7.420  -1.835
   52    H    PHE   8           H        PHE   8   1.473  -4.737  -1.939
   53    HA   PHE   8           HA       PHE   8  -0.306  -2.903  -3.342
   54   1HB   PHE   8          1HB       PHE   8  -0.444  -4.011  -0.532
   55   2HB   PHE   8          2HB       PHE   8  -1.672  -3.005  -1.287
   56    HD1  PHE   8           1HD      PHE   8  -2.982  -5.033  -0.343
   57    HD2  PHE   8           2HD      PHE   8  -0.393  -5.237  -3.706
   58    HE1  PHE   8           1HE      PHE   8  -4.127  -7.076  -1.086
   59    HE2  PHE   8           2HE      PHE   8  -1.536  -7.272  -4.469
   60    HZ   PHE   8           HZ       PHE   8  -3.409  -8.197  -3.160
   61    H    GLN   9           H        GLN   9   2.126  -1.818  -3.213
   62    HA   GLN   9           HA       GLN   9   2.594  -0.317  -0.826
   63   1HB   GLN   9          1HB       GLN   9   4.127  -0.949  -2.971
   64   2HB   GLN   9          2HB       GLN   9   3.694   0.705  -3.373
   65   1HG   GLN   9          1HG       GLN   9   4.426   0.806  -0.698
   66   2HG   GLN   9          2HG       GLN   9   5.585  -0.298  -1.439
   67   1HE2  GLN   9          1HE2      GLN   9   4.179   2.922  -1.683
   68   2HE2  GLN   9          2HE2      GLN   9   5.542   3.652  -2.472
   69    H    CYS  10           H        CYS  10   1.879   1.659  -0.288
   70    HA   CYS  10           HA       CYS  10  -0.326   2.757  -1.757
   71   1HB   CYS  10          1HB       CYS  10  -0.425   2.996   0.616
   72   2HB   CYS  10          2HB       CYS  10   1.172   3.731   0.677
   73    H    THR  11           H        THR  11  -0.327   4.310  -3.231
   74    HA   THR  11           HA       THR  11   2.228   5.220  -4.217
   75    HB   THR  11           HB       THR  11  -0.113   6.203  -5.636
   76    HG1  THR  11           1HG      THR  11   0.162   3.364  -5.432
   77   1HG2  THR  11          1HG2      THR  11   1.221   5.829  -7.395
   78   2HG2  THR  11          2HG2      THR  11   1.507   4.153  -6.925
   79   3HG2  THR  11          3HG2      THR  11   2.478   5.446  -6.220
   80    H    TRP  12           H        TRP  12   0.712   6.432  -1.747
   81    HA   TRP  12           HA       TRP  12   0.381   9.181  -2.654
   82   1HB   TRP  12          1HB       TRP  12  -0.898   7.912  -0.722
   83   2HB   TRP  12          2HB       TRP  12   0.476   8.439   0.243
   84    HD1  TRP  12           HD       TRP  12   0.553  10.926   0.974
   85    HE1  TRP  12           1HE      TRP  12  -1.060  12.922   0.740
   86    HE3  TRP  12           3HE      TRP  12  -2.696   8.932  -2.417
   87    HZ2  TRP  12           2HZ      TRP  12  -3.412  13.548  -0.681
   88    HZ3  TRP  12           3HZ      TRP  12  -4.613  10.286  -3.149
   89    HH2  TRP  12           HH       TRP  12  -4.962  12.547  -2.303
   90    HA   PRO  13           HA       PRO  13   4.737   9.906  -2.401
   91   1HB   PRO  13          1HB       PRO  13   3.920  12.758  -2.374
   92   2HB   PRO  13          2HB       PRO  13   4.999  11.907  -3.482
   93   1HG   PRO  13          1HG       PRO  13   2.549  12.622  -4.246
   94   2HG   PRO  13          2HG       PRO  13   3.252  11.076  -4.757
   95   1HD   PRO  13          1HD       PRO  13   1.211  11.626  -2.643
   96   2HD   PRO  13          2HD       PRO  13   1.299  10.285  -3.804
   97    H    ASP  14           H        ASP  14   2.706  12.108  -0.471
   98    HA   ASP  14           HA       ASP  14   4.735  12.740   1.402
   99   1HB   ASP  14          1HB       ASP  14   2.819  14.201   1.032
  100   2HB   ASP  14          2HB       ASP  14   1.720  12.949   1.592
  101    H    CYS  15           H        CYS  15   2.735  10.022   1.044
  102    HA   CYS  15           HA       CYS  15   2.916   9.280   3.853
  103   1HB   CYS  15          1HB       CYS  15   0.738   9.071   3.092
  104   2HB   CYS  15          2HB       CYS  15   1.236   8.467   1.519
  105    H    ASP  16           H        ASP  16   3.146   7.447   0.813
  106    HA   ASP  16           HA       ASP  16   4.520   5.799   0.089
  107   1HB   ASP  16          1HB       ASP  16   6.270   7.593   0.869
  108   2HB   ASP  16          2HB       ASP  16   6.589   6.410   2.128
  109    H    ARG  17           H        ARG  17   2.691   4.682   1.321
  110    HA   ARG  17           HA       ARG  17   3.736   3.107   3.557
  111   1HB   ARG  17          1HB       ARG  17   1.098   4.094   2.777
  112   2HB   ARG  17          2HB       ARG  17   1.080   2.392   3.236
  113   1HG   ARG  17          1HG       ARG  17   0.660   4.163   5.048
  114   2HG   ARG  17          2HG       ARG  17   1.776   2.841   5.406
  115   1HD   ARG  17          1HD       ARG  17   3.217   4.980   4.178
  116   2HD   ARG  17          2HD       ARG  17   2.259   5.624   5.513
  117    HE   ARG  17           HE       ARG  17   3.418   3.403   6.572
  118   1HH1  ARG  17          2HH1      ARG  17   4.702   6.211   4.905
  119   2HH1  ARG  17          1HH1      ARG  17   6.217   6.171   5.756
  120   1HH2  ARG  17          2HH2      ARG  17   5.387   3.361   7.692
  121   2HH2  ARG  17          1HH2      ARG  17   6.600   4.566   7.366
  122    H    SER  18           H        SER  18   2.749   0.752   3.513
  123    HA   SER  18           HA       SER  18   2.689  -0.388   0.845
  124   1HB   SER  18          1HB       SER  18   4.557  -2.024   2.101
  125   2HB   SER  18          2HB       SER  18   4.889  -0.860   0.821
  126    HG   SER  18           HG       SER  18   6.234  -0.422   2.563
  127    H    PHE  19           H        PHE  19   1.221  -1.960   0.825
  128    HA   PHE  19           HA       PHE  19   0.459  -3.100   3.432
  129   1HB   PHE  19          1HB       PHE  19  -1.192  -2.187   1.090
  130   2HB   PHE  19          2HB       PHE  19  -1.847  -3.253   2.330
  131    HD1  PHE  19           1HD      PHE  19  -0.461   0.089   1.676
  132    HD2  PHE  19           2HD      PHE  19  -2.454  -2.439   4.448
  133    HE1  PHE  19           1HE      PHE  19  -0.927   2.036   3.088
  134    HE2  PHE  19           2HE      PHE  19  -2.926  -0.507   5.883
  135    HZ   PHE  19           HZ       PHE  19  -2.156   1.749   5.204
  136    H    SER  20           H        SER  20  -0.790  -5.064   3.353
  137    HA   SER  20           HA       SER  20  -0.158  -6.816   1.075
  138   1HB   SER  20          1HB       SER  20  -0.661  -8.571   3.098
  139   2HB   SER  20          2HB       SER  20   0.958  -8.037   2.643
  140    HG   SER  20           HG       SER  20   1.094  -7.264   4.582
  141    H    ARG  21           H        ARG  21  -2.443  -5.217   2.927
  142    HA   ARG  21           HA       ARG  21  -4.629  -7.055   2.253
  143   1HB   ARG  21          1HB       ARG  21  -4.575  -4.666   4.111
  144   2HB   ARG  21          2HB       ARG  21  -5.990  -5.649   3.790
  145   1HG   ARG  21          1HG       ARG  21  -5.235  -6.483   5.803
  146   2HG   ARG  21          2HG       ARG  21  -4.542  -7.611   4.635
  147   1HD   ARG  21          1HD       ARG  21  -2.694  -7.205   5.906
  148   2HD   ARG  21          2HD       ARG  21  -2.526  -5.913   4.719
  149    HE   ARG  21           HE       ARG  21  -2.828  -4.382   6.379
  150   1HH1  ARG  21          2HH1      ARG  21  -4.081  -7.447   7.535
  151   2HH1  ARG  21          1HH1      ARG  21  -4.121  -6.943   9.201
  152   1HH2  ARG  21          2HH2      ARG  21  -2.881  -3.724   8.562
  153   2HH2  ARG  21          1HH2      ARG  21  -3.405  -4.840   9.789
  154    H    SER  22           H        SER  22  -5.832  -6.633   0.538
  155    HA   SER  22           HA       SER  22  -5.469  -4.281  -1.009
  156   1HB   SER  22          1HB       SER  22  -7.857  -5.657  -1.774
  157   2HB   SER  22          2HB       SER  22  -6.290  -5.637  -2.584
  158    HG   SER  22           HG       SER  22  -7.414  -7.541  -0.907
  159    H    ASP  23           H        ASP  23  -7.758  -5.166   1.477
  160    HA   ASP  23           HA       ASP  23  -9.569  -2.987   0.729
  161   1HB   ASP  23          1HB       ASP  23 -10.474  -5.205   1.490
  162   2HB   ASP  23          2HB       ASP  23  -9.797  -4.877   3.081
  163    H    HIS  24           H        HIS  24  -6.795  -3.411   2.454
  164    HA   HIS  24           HA       HIS  24  -7.520  -1.378   4.421
  165   1HB   HIS  24          1HB       HIS  24  -5.515  -3.474   4.356
  166   2HB   HIS  24          2HB       HIS  24  -4.833  -1.919   4.831
  167    HD1  HIS  24           1HD      HIS  24  -4.546  -2.841   7.284
  168    HD2  HIS  24           2HD      HIS  24  -8.467  -2.546   5.936
  169    HE1  HIS  24           1HE      HIS  24  -5.987  -3.104   9.328
  170    HE2  HIS  24           2HE      HIS  24  -8.346  -2.735   8.511
  171    H    LEU  25           H        LEU  25  -5.239  -1.896   1.792
  172    HA   LEU  25           HA       LEU  25  -4.239   0.800   1.866
  173   1HB   LEU  25          1HB       LEU  25  -2.677  -0.593   0.952
  174   2HB   LEU  25          2HB       LEU  25  -3.877  -1.640   0.222
  175    HG   LEU  25           HG       LEU  25  -4.197   0.582  -1.283
  176   1HD1  LEU  25          1HD1      LEU  25  -2.301   1.806  -1.569
  177   2HD1  LEU  25          2HD1      LEU  25  -2.100   1.377   0.130
  178   3HD1  LEU  25          3HD1      LEU  25  -1.239   0.472  -1.115
  179   1HD2  LEU  25          1HD2      LEU  25  -2.049  -0.949  -2.394
  180   2HD2  LEU  25          2HD2      LEU  25  -3.183  -2.028  -1.576
  181   3HD2  LEU  25          3HD2      LEU  25  -3.756  -0.936  -2.838
  182    H    ALA  26           H        ALA  26  -7.139  -0.514   0.933
  183    HA   ALA  26           HA       ALA  26  -7.630   1.435  -1.188
  184   1HB   ALA  26          1HB       ALA  26  -8.840  -0.380  -1.815
  185   2HB   ALA  26          2HB       ALA  26  -9.081  -0.933  -0.158
  186   3HB   ALA  26          3HB       ALA  26 -10.054   0.393  -0.796
  187    H    LEU  27           H        LEU  27  -8.804   0.638   2.088
  188    HA   LEU  27           HA       LEU  27 -10.381   3.017   2.260
  189   1HB   LEU  27          1HB       LEU  27 -11.031   2.335   4.383
  190   2HB   LEU  27          2HB       LEU  27 -10.752   0.827   3.542
  191    HG   LEU  27           HG       LEU  27  -8.346   1.104   4.709
  192   1HD1  LEU  27          1HD1      LEU  27  -8.975   3.225   5.800
  193   2HD1  LEU  27          2HD1      LEU  27 -10.274   2.384   6.644
  194   3HD1  LEU  27          3HD1      LEU  27  -8.593   1.955   6.962
  195   1HD2  LEU  27          1HD2      LEU  27 -10.765   0.047   6.155
  196   2HD2  LEU  27          2HD2      LEU  27  -9.950  -0.792   4.836
  197   3HD2  LEU  27          3HD2      LEU  27  -9.090  -0.473   6.341
  198    H    HIS  28           H        HIS  28  -7.166   2.073   3.278
  199    HA   HIS  28           HA       HIS  28  -6.528   4.344   4.812
  200   1HB   HIS  28          1HB       HIS  28  -5.031   2.592   5.051
  201   2HB   HIS  28          2HB       HIS  28  -4.993   2.256   3.332
  202    HD1  HIS  28           1HD      HIS  28  -3.343   4.297   5.967
  203    HD2  HIS  28           2HD      HIS  28  -3.164   3.775   1.856
  204    HE1  HIS  28           1HE      HIS  28  -1.230   5.441   5.181
  205    H    ARG  29           H        ARG  29  -6.616   3.737   1.385
  206    HA   ARG  29           HA       ARG  29  -5.292   6.215   0.749
  207   1HB   ARG  29          1HB       ARG  29  -6.356   3.889  -0.796
  208   2HB   ARG  29          2HB       ARG  29  -6.093   5.425  -1.635
  209   1HG   ARG  29          1HG       ARG  29  -3.763   5.202  -0.284
  210   2HG   ARG  29          2HG       ARG  29  -4.146   3.502  -0.554
  211   1HD   ARG  29          1HD       ARG  29  -2.889   4.078  -2.422
  212   2HD   ARG  29          2HD       ARG  29  -4.552   4.201  -2.994
  213    HE   ARG  29           HE       ARG  29  -3.686   6.715  -2.032
  214   1HH1  ARG  29          2HH1      ARG  29  -3.168   4.490  -4.689
  215   2HH1  ARG  29          1HH1      ARG  29  -2.811   5.749  -5.839
  216   1HH2  ARG  29          2HH2      ARG  29  -3.256   8.369  -3.558
  217   2HH2  ARG  29          1HH2      ARG  29  -2.855   7.949  -5.191
  218    H    LYS  30           H        LYS  30  -8.527   5.085   1.180
  219    HA   LYS  30           HA       LYS  30  -9.857   7.182  -0.230
  220   1HB   LYS  30          1HB       LYS  30 -10.592   4.982   1.541
  221   2HB   LYS  30          2HB       LYS  30 -11.532   6.434   1.851
  222   1HG   LYS  30          1HG       LYS  30 -12.820   5.973   0.122
  223   2HG   LYS  30          2HG       LYS  30 -11.423   6.055  -0.953
  224   1HD   LYS  30          1HD       LYS  30 -11.956   3.899  -1.359
  225   2HD   LYS  30          2HD       LYS  30 -11.044   3.620   0.128
  226   1HE   LYS  30          2HE       LYS  30 -12.934   2.503   0.700
  227   2HE   LYS  30          1HE       LYS  30 -13.438   4.116   1.201
  228   1HZ   LYS  30          1HZ       LYS  30 -13.998   3.663  -1.556
  229   2HZ   LYS  30          2HZ       LYS  30 -15.052   4.111  -0.301
  230   3HZ   LYS  30          3HZ       LYS  30 -14.720   2.471  -0.585
  231    H    ARG  31           H        ARG  31  -8.768   6.684   3.085
  232    HA   ARG  31           HA       ARG  31  -9.780   9.167   4.056
  233   1HB   ARG  31          1HB       ARG  31  -8.889   8.565   6.123
  234   2HB   ARG  31          2HB       ARG  31  -9.260   7.020   5.373
  235   1HG   ARG  31          1HG       ARG  31  -6.950   6.659   4.837
  236   2HG   ARG  31          2HG       ARG  31  -6.527   8.283   5.383
  237   1HD   ARG  31          1HD       ARG  31  -7.237   5.863   6.975
  238   2HD   ARG  31          2HD       ARG  31  -5.924   7.017   7.210
  239    HE   ARG  31           HE       ARG  31  -7.735   8.618   7.912
  240   1HH1  ARG  31          2HH1      ARG  31  -8.013   5.147   8.329
  241   2HH1  ARG  31          1HH1      ARG  31  -9.253   5.255   9.538
  242   1HH2  ARG  31          2HH2      ARG  31  -9.294   8.782   9.570
  243   2HH2  ARG  31          1HH2      ARG  31  -9.979   7.336  10.255
  244    H    HIS  32           H        HIS  32  -7.291   8.576   1.983
  245    HA   HIS  32           HA       HIS  32  -5.340  10.433   2.980
  246   1HB   HIS  32          1HB       HIS  32  -5.685   8.707   0.626
  247   2HB   HIS  32          2HB       HIS  32  -4.853  10.219   0.299
  248    HD1  HIS  32           1HD      HIS  32  -3.066  10.510   2.757
  249    HD2  HIS  32           2HD      HIS  32  -3.749   6.909   0.788
  250    HE1  HIS  32           1HE      HIS  32  -1.129   8.990   3.337
  251    H    MET  33           H        MET  33  -8.186  10.527   1.028
  252    HA   MET  33           HA       MET  33  -7.690  13.109  -0.127
  253   1HB   MET  33          1HB       MET  33 -10.420  11.883   0.134
  254   2HB   MET  33          2HB       MET  33  -9.782  12.889  -1.158
  255   1HG   MET  33          1HG       MET  33  -8.430  11.086  -1.977
  256   2HG   MET  33          2HG       MET  33  -8.872  10.078  -0.604
  257   1HE   MET  33          1HE       MET  33 -11.490  11.119  -4.226
  258   2HE   MET  33          2HE       MET  33 -11.141  12.377  -3.039
  259   3HE   MET  33          3HE       MET  33  -9.824  11.624  -3.937
  260    H    LEU  34           H        LEU  34  -8.666  11.938   2.866
  261    HA   LEU  34           HA       LEU  34  -9.493  12.837   4.770
  262   1HB   LEU  34          1HB       LEU  34  -7.827  14.881   3.501
  263   2HB   LEU  34          2HB       LEU  34  -8.972  15.524   4.663
  264    HG   LEU  34           HG       LEU  34  -7.899  13.377   6.006
  265   1HD1  LEU  34          1HD1      LEU  34  -5.611  14.779   4.645
  266   2HD1  LEU  34          2HD1      LEU  34  -5.542  13.414   5.760
  267   3HD1  LEU  34          3HD1      LEU  34  -6.221  13.200   4.147
  268   1HD2  LEU  34          1HD2      LEU  34  -6.388  15.424   6.911
  269   2HD2  LEU  34          2HD2      LEU  34  -7.653  16.307   6.056
  270   3HD2  LEU  34          3HD2      LEU  34  -8.081  15.178   7.342
  271    H    VAL  35           H        VAL  35 -11.516  12.372   3.265
  272    HA   VAL  35           HA       VAL  35 -13.223  14.765   3.475
  273    HB   VAL  35           HB       VAL  35 -14.674  13.719   1.715
  274   1HG1  VAL  35          1HG1      VAL  35 -13.201  15.579   1.187
  275   2HG1  VAL  35          2HG1      VAL  35 -11.871  14.461   0.884
  276   3HG1  VAL  35          3HG1      VAL  35 -13.287  14.453  -0.168
  277   1HG2  VAL  35          1HG2      VAL  35 -12.294  11.891   1.430
  278   2HG2  VAL  35          2HG2      VAL  35 -13.969  11.445   1.766
  279   3HG2  VAL  35          3HG2      VAL  35 -13.528  12.091   0.185
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1   5.010  -9.220   8.121
    2   2H    GLY   1          2H        GLY   1   4.293  -8.801   6.641
    3   3H    GLY   1          3H        GLY   1   5.684  -7.989   7.170
    4   1HA   GLY   1          2HA       GLY   1   5.817 -10.894   6.834
    5   2HA   GLY   1          1HA       GLY   1   5.828  -9.886   5.394
    6    H    SER   2           H        SER   2   8.005 -11.245   5.570
    7    HA   SER   2           HA       SER   2  10.024  -9.967   7.189
    8   1HB   SER   2          1HB       SER   2  11.173 -11.625   5.173
    9   2HB   SER   2          2HB       SER   2  11.022 -11.953   6.902
   10    HG   SER   2           HG       SER   2   9.898 -13.321   5.072
   11    H    THR   3           H        THR   3   9.092 -10.088   3.787
   12    HA   THR   3           HA       THR   3  11.186  -8.221   3.026
   13    HB   THR   3           HB       THR   3   8.948  -8.993   1.194
   14    HG1  THR   3           1HG      THR   3  10.872 -10.703   2.336
   15   1HG2  THR   3          1HG2      THR   3  11.696  -7.993   1.002
   16   2HG2  THR   3          2HG2      THR   3  10.348  -7.827  -0.123
   17   3HG2  THR   3          3HG2      THR   3  11.323  -9.296  -0.130
   18    H    GLY   4           H        GLY   4  10.893  -6.079   2.600
   19   1HA   GLY   4          1HA       GLY   4   8.412  -4.906   3.604
   20   2HA   GLY   4          2HA       GLY   4   9.900  -4.045   3.234
   21    H    ILE   5           H        ILE   5   9.738  -5.778   0.650
   22    HA   ILE   5           HA       ILE   5   8.585  -3.738  -0.991
   23    HB   ILE   5           HB       ILE   5   9.811  -6.429  -1.538
   24   1HG1  ILE   5          2HG1      ILE   5  10.998  -4.368  -3.044
   25   2HG1  ILE   5          1HG1      ILE   5  10.710  -3.692  -1.443
   26   1HG2  ILE   5          1HG2      ILE   5   9.293  -6.409  -3.775
   27   2HG2  ILE   5          2HG2      ILE   5   7.816  -5.714  -3.107
   28   3HG2  ILE   5          3HG2      ILE   5   9.042  -4.663  -3.812
   29   1HD1  ILE   5          1HD1      ILE   5  11.765  -6.148  -0.867
   30   2HD1  ILE   5          2HD1      ILE   5  12.647  -5.676  -2.320
   31   3HD1  ILE   5          3HD1      ILE   5  12.654  -4.626  -0.903
   32    H    LYS   6           H        LYS   6   6.433  -3.513  -0.928
   33    HA   LYS   6           HA       LYS   6   4.775  -5.940  -0.958
   34   1HB   LYS   6          1HB       LYS   6   3.991  -3.151  -0.084
   35   2HB   LYS   6          2HB       LYS   6   3.042  -4.624   0.102
   36   1HG   LYS   6          1HG       LYS   6   5.192  -5.424   1.418
   37   2HG   LYS   6          2HG       LYS   6   5.401  -3.686   1.638
   38   1HD   LYS   6          1HD       LYS   6   3.874  -3.690   3.240
   39   2HD   LYS   6          2HD       LYS   6   2.677  -4.337   2.118
   40   1HE   LYS   6          2HE       LYS   6   2.707  -6.295   3.163
   41   2HE   LYS   6          1HE       LYS   6   4.446  -6.433   2.909
   42   1HZ   LYS   6          1HZ       LYS   6   4.681  -6.206   5.084
   43   2HZ   LYS   6          2HZ       LYS   6   3.031  -5.864   5.300
   44   3HZ   LYS   6          3HZ       LYS   6   4.119  -4.610   4.959
   45    HA   PRO   7           HA       PRO   7   3.292  -4.790  -4.956
   46   1HB   PRO   7          1HB       PRO   7   1.089  -6.351  -5.058
   47   2HB   PRO   7          2HB       PRO   7   2.721  -7.014  -5.174
   48   1HG   PRO   7          1HG       PRO   7   0.840  -6.985  -2.865
   49   2HG   PRO   7          2HG       PRO   7   1.992  -8.235  -3.361
   50   1HD   PRO   7          1HD       PRO   7   2.403  -6.404  -1.321
   51   2HD   PRO   7          2HD       PRO   7   3.689  -7.291  -2.167
   52    H    PHE   8           H        PHE   8   1.367  -4.529  -2.085
   53    HA   PHE   8           HA       PHE   8  -0.515  -2.707  -3.396
   54   1HB   PHE   8          1HB       PHE   8  -0.595  -3.913  -0.621
   55   2HB   PHE   8          2HB       PHE   8  -1.845  -2.902  -1.335
   56    HD1  PHE   8           1HD      PHE   8  -3.028  -5.056  -0.376
   57    HD2  PHE   8           2HD      PHE   8  -0.647  -4.954  -3.891
   58    HE1  PHE   8           1HE      PHE   8  -4.150  -7.091  -1.182
   59    HE2  PHE   8           2HE      PHE   8  -1.761  -6.975  -4.714
   60    HZ   PHE   8           HZ       PHE   8  -3.519  -8.053  -3.363
   61    H    GLN   9           H        GLN   9   1.963  -1.667  -3.227
   62    HA   GLN   9           HA       GLN   9   2.439  -0.274  -0.782
   63   1HB   GLN   9          1HB       GLN   9   4.433  -0.344  -1.857
   64   2HB   GLN   9          2HB       GLN   9   3.685  -0.448  -3.442
   65   1HG   GLN   9          1HG       GLN   9   4.355   1.629  -3.805
   66   2HG   GLN   9          2HG       GLN   9   3.191   2.156  -2.589
   67   1HE2  GLN   9          1HE2      GLN   9   4.336   3.801  -1.730
   68   2HE2  GLN   9          2HE2      GLN   9   5.847   3.612  -0.908
   69    H    CYS  10           H        CYS  10   1.836   1.731  -0.193
   70    HA   CYS  10           HA       CYS  10  -0.315   2.977  -1.663
   71   1HB   CYS  10          1HB       CYS  10  -0.407   3.026   0.775
   72   2HB   CYS  10          2HB       CYS  10   1.132   3.872   0.841
   73    H    THR  11           H        THR  11   0.108   4.127  -3.375
   74    HA   THR  11           HA       THR  11   2.728   5.165  -3.893
   75    HB   THR  11           HB       THR  11   0.433   5.809  -5.678
   76    HG1  THR  11           1HG      THR  11   1.197   3.239  -4.867
   77   1HG2  THR  11          1HG2      THR  11   3.169   4.644  -6.218
   78   2HG2  THR  11          2HG2      THR  11   2.786   6.366  -6.260
   79   3HG2  THR  11          3HG2      THR  11   2.032   5.264  -7.415
   80    H    TRP  12           H        TRP  12   1.317   6.376  -1.678
   81    HA   TRP  12           HA       TRP  12   0.724   9.088  -2.598
   82   1HB   TRP  12          1HB       TRP  12  -0.342   7.678  -0.553
   83   2HB   TRP  12          2HB       TRP  12   0.966   8.493   0.304
   84    HD1  TRP  12           HD       TRP  12   0.520  10.919   1.046
   85    HE1  TRP  12           1HE      TRP  12  -1.339  12.652   0.607
   86    HE3  TRP  12           3HE      TRP  12  -2.102   8.374  -2.514
   87    HZ2  TRP  12           2HZ      TRP  12  -3.633  12.884  -1.040
   88    HZ3  TRP  12           3HZ      TRP  12  -4.122   9.397  -3.458
   89    HH2  TRP  12           HH       TRP  12  -4.874  11.611  -2.740
   90    HA   PRO  13           HA       PRO  13   5.081   9.951  -2.250
   91   1HB   PRO  13          1HB       PRO  13   4.938  12.635  -2.741
   92   2HB   PRO  13          2HB       PRO  13   4.852  11.400  -4.002
   93   1HG   PRO  13          1HG       PRO  13   2.630  12.899  -2.670
   94   2HG   PRO  13          2HG       PRO  13   2.842  12.500  -4.385
   95   1HD   PRO  13          1HD       PRO  13   1.186  11.098  -2.789
   96   2HD   PRO  13          2HD       PRO  13   2.103  10.329  -4.102
   97    H    ASP  14           H        ASP  14   2.632  11.638  -0.428
   98    HA   ASP  14           HA       ASP  14   4.559  12.820   1.394
   99   1HB   ASP  14          1HB       ASP  14   2.766  14.270   1.044
  100   2HB   ASP  14          2HB       ASP  14   1.584  12.968   1.038
  101    H    CYS  15           H        CYS  15   2.610  10.027   1.127
  102    HA   CYS  15           HA       CYS  15   2.798   9.415   3.969
  103   1HB   CYS  15          1HB       CYS  15   0.623   9.135   3.256
  104   2HB   CYS  15          2HB       CYS  15   1.100   8.541   1.678
  105    H    ASP  16           H        ASP  16   3.052   7.486   0.993
  106    HA   ASP  16           HA       ASP  16   4.511   5.923   0.269
  107   1HB   ASP  16          1HB       ASP  16   6.187   7.719   0.925
  108   2HB   ASP  16          2HB       ASP  16   6.442   6.777   2.384
  109    H    ARG  17           H        ARG  17   2.650   4.810   1.562
  110    HA   ARG  17           HA       ARG  17   3.798   3.115   3.665
  111   1HB   ARG  17          1HB       ARG  17   1.114   4.142   3.066
  112   2HB   ARG  17          2HB       ARG  17   1.131   2.433   3.498
  113   1HG   ARG  17          1HG       ARG  17   0.787   4.076   5.386
  114   2HG   ARG  17          2HG       ARG  17   2.058   2.873   5.616
  115   1HD   ARG  17          1HD       ARG  17   3.276   5.068   4.353
  116   2HD   ARG  17          2HD       ARG  17   2.241   5.740   5.612
  117    HE   ARG  17           HE       ARG  17   3.852   3.534   6.514
  118   1HH1  ARG  17          2HH1      ARG  17   3.818   6.996   5.951
  119   2HH1  ARG  17          1HH1      ARG  17   5.003   7.341   7.174
  120   1HH2  ARG  17          2HH2      ARG  17   5.446   3.966   8.091
  121   2HH2  ARG  17          1HH2      ARG  17   5.907   5.610   8.419
  122    H    SER  18           H        SER  18   2.759   0.768   3.528
  123    HA   SER  18           HA       SER  18   2.517  -0.201   0.805
  124   1HB   SER  18          1HB       SER  18   4.414  -1.960   1.759
  125   2HB   SER  18          2HB       SER  18   4.724  -0.651   0.622
  126    HG   SER  18           HG       SER  18   6.134  -0.225   2.202
  127    H    PHE  19           H        PHE  19   1.092  -1.856   0.765
  128    HA   PHE  19           HA       PHE  19   0.489  -3.100   3.366
  129   1HB   PHE  19          1HB       PHE  19  -1.324  -2.144   1.164
  130   2HB   PHE  19          2HB       PHE  19  -1.875  -3.247   2.418
  131    HD1  PHE  19           1HD      PHE  19  -0.468   0.116   1.830
  132    HD2  PHE  19           2HD      PHE  19  -2.506  -2.470   4.517
  133    HE1  PHE  19           1HE      PHE  19  -0.930   2.030   3.297
  134    HE2  PHE  19           2HE      PHE  19  -2.970  -0.576   6.004
  135    HZ   PHE  19           HZ       PHE  19  -2.182   1.691   5.390
  136    H    SER  20           H        SER  20  -0.700  -5.086   3.286
  137    HA   SER  20           HA       SER  20  -0.100  -6.762   0.937
  138   1HB   SER  20          1HB       SER  20  -0.650  -8.444   3.127
  139   2HB   SER  20          2HB       SER  20   0.927  -8.158   2.389
  140    HG   SER  20           HG       SER  20   0.598  -7.709   4.768
  141    H    ARG  21           H        ARG  21  -2.379  -5.328   2.976
  142    HA   ARG  21           HA       ARG  21  -4.568  -7.106   2.156
  143   1HB   ARG  21          1HB       ARG  21  -4.591  -4.868   4.198
  144   2HB   ARG  21          2HB       ARG  21  -5.900  -5.989   3.875
  145   1HG   ARG  21          1HG       ARG  21  -5.009  -6.911   5.763
  146   2HG   ARG  21          2HG       ARG  21  -4.126  -7.798   4.519
  147   1HD   ARG  21          1HD       ARG  21  -2.378  -7.192   5.856
  148   2HD   ARG  21          2HD       ARG  21  -2.429  -5.788   4.794
  149    HE   ARG  21           HE       ARG  21  -3.109  -4.481   6.565
  150   1HH1  ARG  21          2HH1      ARG  21  -3.265  -7.874   7.467
  151   2HH1  ARG  21          1HH1      ARG  21  -3.502  -7.546   9.158
  152   1HH2  ARG  21          2HH2      ARG  21  -3.364  -4.058   8.810
  153   2HH2  ARG  21          1HH2      ARG  21  -3.546  -5.387   9.918
  154    H    SER  22           H        SER  22  -5.742  -6.524   0.464
  155    HA   SER  22           HA       SER  22  -5.435  -3.972  -0.765
  156   1HB   SER  22          1HB       SER  22  -7.591  -5.132  -2.012
  157   2HB   SER  22          2HB       SER  22  -5.903  -5.403  -2.449
  158    HG   SER  22           HG       SER  22  -6.163  -7.394  -1.857
  159    H    ASP  23           H        ASP  23  -7.711  -5.307   1.489
  160    HA   ASP  23           HA       ASP  23  -9.736  -3.283   0.955
  161   1HB   ASP  23          1HB       ASP  23 -10.857  -5.160   1.634
  162   2HB   ASP  23          2HB       ASP  23  -9.518  -5.729   2.616
  163    H    HIS  24           H        HIS  24  -6.900  -3.578   2.683
  164    HA   HIS  24           HA       HIS  24  -7.754  -1.605   4.662
  165   1HB   HIS  24          1HB       HIS  24  -5.649  -3.628   4.607
  166   2HB   HIS  24          2HB       HIS  24  -5.108  -2.069   5.231
  167    HD1  HIS  24           1HD      HIS  24  -4.999  -3.741   7.483
  168    HD2  HIS  24           2HD      HIS  24  -8.703  -2.402   6.169
  169    HE1  HIS  24           1HE      HIS  24  -6.566  -4.081   9.422
  170    HE2  HIS  24           2HE      HIS  24  -8.837  -3.403   8.552
  171    H    LEU  25           H        LEU  25  -5.321  -1.991   2.138
  172    HA   LEU  25           HA       LEU  25  -4.374   0.699   2.351
  173   1HB   LEU  25          1HB       LEU  25  -2.801  -0.626   1.370
  174   2HB   LEU  25          2HB       LEU  25  -3.987  -1.629   0.561
  175    HG   LEU  25           HG       LEU  25  -4.294   0.698  -0.800
  176   1HD1  LEU  25          1HD1      LEU  25  -2.218   1.414   0.663
  177   2HD1  LEU  25          2HD1      LEU  25  -1.337   0.550  -0.598
  178   3HD1  LEU  25          3HD1      LEU  25  -2.378   1.909  -1.023
  179   1HD2  LEU  25          1HD2      LEU  25  -3.215  -1.895  -1.237
  180   2HD2  LEU  25          2HD2      LEU  25  -3.900  -0.774  -2.415
  181   3HD2  LEU  25          3HD2      LEU  25  -2.175  -0.721  -2.046
  182    H    ALA  26           H        ALA  26  -7.097  -0.799   0.820
  183    HA   ALA  26           HA       ALA  26  -7.553   1.284  -1.113
  184   1HB   ALA  26          1HB       ALA  26  -8.680  -0.639  -1.709
  185   2HB   ALA  26          2HB       ALA  26  -9.168  -0.996  -0.050
  186   3HB   ALA  26          3HB       ALA  26  -9.965   0.297  -0.947
  187    H    LEU  27           H        LEU  27  -8.781   0.529   2.136
  188    HA   LEU  27           HA       LEU  27 -10.407   2.881   2.245
  189   1HB   LEU  27          1HB       LEU  27 -11.147   2.159   4.283
  190   2HB   LEU  27          2HB       LEU  27 -10.673   0.644   3.549
  191    HG   LEU  27           HG       LEU  27  -8.391   1.209   4.855
  192   1HD1  LEU  27          1HD1      LEU  27  -8.648   2.381   6.815
  193   2HD1  LEU  27          2HD1      LEU  27  -9.694   3.310   5.740
  194   3HD1  LEU  27          3HD1      LEU  27 -10.394   2.140   6.859
  195   1HD2  LEU  27          1HD2      LEU  27 -10.031  -0.775   4.961
  196   2HD2  LEU  27          2HD2      LEU  27  -8.994  -0.460   6.353
  197   3HD2  LEU  27          3HD2      LEU  27 -10.685   0.041   6.381
  198    H    HIS  28           H        HIS  28  -7.205   1.986   3.293
  199    HA   HIS  28           HA       HIS  28  -6.620   4.269   4.838
  200   1HB   HIS  28          1HB       HIS  28  -5.117   2.513   5.120
  201   2HB   HIS  28          2HB       HIS  28  -5.005   2.208   3.396
  202    HD1  HIS  28           1HD      HIS  28  -3.602   4.419   6.092
  203    HD2  HIS  28           2HD      HIS  28  -3.103   3.665   2.041
  204    HE1  HIS  28           1HE      HIS  28  -1.496   5.628   5.377
  205    H    ARG  29           H        ARG  29  -6.484   3.568   1.405
  206    HA   ARG  29           HA       ARG  29  -5.177   6.039   0.734
  207   1HB   ARG  29          1HB       ARG  29  -6.269   3.708  -0.763
  208   2HB   ARG  29          2HB       ARG  29  -6.054   5.227  -1.637
  209   1HG   ARG  29          1HG       ARG  29  -3.670   5.124  -0.484
  210   2HG   ARG  29          2HG       ARG  29  -4.027   3.396  -0.475
  211   1HD   ARG  29          1HD       ARG  29  -3.269   3.356  -2.567
  212   2HD   ARG  29          2HD       ARG  29  -4.747   4.204  -3.019
  213    HE   ARG  29           HE       ARG  29  -2.719   6.013  -2.150
  214   1HH1  ARG  29          2HH1      ARG  29  -3.762   4.060  -4.859
  215   2HH1  ARG  29          1HH1      ARG  29  -2.988   5.063  -6.052
  216   1HH2  ARG  29          2HH2      ARG  29  -1.699   7.343  -3.721
  217   2HH2  ARG  29          1HH2      ARG  29  -1.805   6.925  -5.407
  218    H    LYS  30           H        LYS  30  -8.450   4.926   1.090
  219    HA   LYS  30           HA       LYS  30  -9.739   7.060  -0.276
  220   1HB   LYS  30          1HB       LYS  30 -10.519   4.883   1.525
  221   2HB   LYS  30          2HB       LYS  30 -11.473   6.343   1.744
  222   1HG   LYS  30          1HG       LYS  30 -12.675   5.850  -0.048
  223   2HG   LYS  30          2HG       LYS  30 -11.218   5.821  -1.046
  224   1HD   LYS  30          1HD       LYS  30 -10.831   3.505  -0.473
  225   2HD   LYS  30          2HD       LYS  30 -12.213   3.519   0.627
  226   1HE   LYS  30          2HE       LYS  30 -13.004   4.435  -1.982
  227   2HE   LYS  30          1HE       LYS  30 -12.201   2.868  -2.102
  228   1HZ   LYS  30          1HZ       LYS  30 -14.474   2.430  -1.757
  229   2HZ   LYS  30          2HZ       LYS  30 -14.600   3.565  -0.504
  230   3HZ   LYS  30          3HZ       LYS  30 -13.729   2.129  -0.261
  231    H    ARG  31           H        ARG  31  -8.335   6.650   2.879
  232    HA   ARG  31           HA       ARG  31  -9.455   8.978   4.079
  233   1HB   ARG  31          1HB       ARG  31  -7.076   7.249   4.740
  234   2HB   ARG  31          2HB       ARG  31  -7.490   8.671   5.690
  235   1HG   ARG  31          1HG       ARG  31  -9.576   7.733   6.338
  236   2HG   ARG  31          2HG       ARG  31  -9.406   6.411   5.180
  237   1HD   ARG  31          1HD       ARG  31  -8.869   5.469   7.264
  238   2HD   ARG  31          2HD       ARG  31  -7.318   5.753   6.475
  239    HE   ARG  31           HE       ARG  31  -6.777   7.193   8.153
  240   1HH1  ARG  31          2HH1      ARG  31 -10.259   6.734   8.179
  241   2HH1  ARG  31          1HH1      ARG  31 -10.500   7.699   9.611
  242   1HH2  ARG  31          2HH2      ARG  31  -7.105   8.442  10.049
  243   2HH2  ARG  31          1HH2      ARG  31  -8.719   8.690  10.647
  244    H    HIS  32           H        HIS  32  -7.030   8.497   1.761
  245    HA   HIS  32           HA       HIS  32  -5.534  10.900   2.313
  246   1HB   HIS  32          1HB       HIS  32  -5.515   8.796   0.169
  247   2HB   HIS  32          2HB       HIS  32  -4.608  10.281  -0.019
  248    HD1  HIS  32           1HD      HIS  32  -3.239  10.591   2.678
  249    HD2  HIS  32           2HD      HIS  32  -3.704   6.959   0.712
  250    HE1  HIS  32           1HE      HIS  32  -1.403   9.061   3.538
  251    H    MET  33           H        MET  33  -7.850   9.721  -0.094
  252    HA   MET  33           HA       MET  33  -7.885  12.224  -1.489
  253   1HB   MET  33          1HB       MET  33  -9.498  11.185  -2.972
  254   2HB   MET  33          2HB       MET  33  -8.144  10.101  -2.688
  255   1HG   MET  33          1HG       MET  33  -9.561   9.012  -0.916
  256   2HG   MET  33          2HG       MET  33 -10.908   9.945  -1.559
  257   1HE   MET  33          1HE       MET  33 -12.602   8.139  -2.963
  258   2HE   MET  33          2HE       MET  33 -12.032   9.705  -3.539
  259   3HE   MET  33          3HE       MET  33 -12.026   8.313  -4.621
  260    H    LEU  34           H        LEU  34  -9.664  10.814   1.085
  261    HA   LEU  34           HA       LEU  34 -11.633  12.995   0.910
  262   1HB   LEU  34          1HB       LEU  34 -11.787  10.247   2.112
  263   2HB   LEU  34          2HB       LEU  34 -12.879  11.521   2.625
  264    HG   LEU  34           HG       LEU  34 -12.807  11.317  -0.258
  265   1HD1  LEU  34          1HD1      LEU  34 -14.155   8.946   0.830
  266   2HD1  LEU  34          2HD1      LEU  34 -13.253   9.154  -0.673
  267   3HD1  LEU  34          3HD1      LEU  34 -12.392   8.878   0.842
  268   1HD2  LEU  34          1HD2      LEU  34 -14.580  12.471   0.766
  269   2HD2  LEU  34          2HD2      LEU  34 -15.284  10.962   0.187
  270   3HD2  LEU  34          3HD2      LEU  34 -14.894  11.152   1.895
  271    H    VAL  35           H        VAL  35  -9.723  14.204   1.726
  272    HA   VAL  35           HA       VAL  35  -9.162  13.836   4.564
  273    HB   VAL  35           HB       VAL  35  -7.668  15.907   4.146
  274   1HG1  VAL  35          1HG1      VAL  35  -6.290  14.021   2.564
  275   2HG1  VAL  35          2HG1      VAL  35  -6.137  14.311   4.297
  276   3HG1  VAL  35          3HG1      VAL  35  -7.286  13.115   3.702
  277   1HG2  VAL  35          1HG2      VAL  35  -7.772  15.027   1.288
  278   2HG2  VAL  35          2HG2      VAL  35  -8.865  16.276   1.883
  279   3HG2  VAL  35          3HG2      VAL  35  -7.122  16.516   1.975
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  16.811 -11.520  -3.080
    2   2H    GLY   1          2H        GLY   1  16.636 -12.674  -4.309
    3   3H    GLY   1          3H        GLY   1  16.753 -13.171  -2.691
    4   1HA   GLY   1          2HA       GLY   1  14.478 -12.047  -4.139
    5   2HA   GLY   1          1HA       GLY   1  14.518 -13.331  -2.938
    6    H    SER   2           H        SER   2  14.597  -9.868  -3.441
    7    HA   SER   2           HA       SER   2  14.443  -9.314  -0.601
    8   1HB   SER   2          1HB       SER   2  13.931  -7.095  -2.451
    9   2HB   SER   2          2HB       SER   2  15.133  -7.242  -1.170
   10    HG   SER   2           HG       SER   2  15.417  -7.575  -3.843
   11    H    THR   3           H        THR   3  12.431 -10.520  -0.306
   12    HA   THR   3           HA       THR   3  10.011  -9.464  -1.473
   13    HB   THR   3           HB       THR   3   9.528 -11.197   0.775
   14    HG1  THR   3           1HG      THR   3  11.253 -12.326  -1.200
   15   1HG2  THR   3          1HG2      THR   3   8.138 -10.827  -1.312
   16   2HG2  THR   3          2HG2      THR   3   8.358 -12.509  -0.830
   17   3HG2  THR   3          3HG2      THR   3   9.303 -11.843  -2.162
   18    H    GLY   4           H        GLY   4  11.552  -7.602   0.063
   19   1HA   GLY   4          1HA       GLY   4   9.970  -7.161   2.494
   20   2HA   GLY   4          2HA       GLY   4  11.403  -6.257   2.012
   21    H    ILE   5           H        ILE   5  10.243  -6.165  -0.760
   22    HA   ILE   5           HA       ILE   5   8.795  -3.689  -0.470
   23    HB   ILE   5           HB       ILE   5   9.513  -5.342  -2.895
   24   1HG1  ILE   5          2HG1      ILE   5  10.701  -2.756  -2.875
   25   2HG1  ILE   5          1HG1      ILE   5  10.974  -3.485  -1.294
   26   1HG2  ILE   5          1HG2      ILE   5   8.627  -2.509  -3.114
   27   2HG2  ILE   5          2HG2      ILE   5   8.540  -3.816  -4.298
   28   3HG2  ILE   5          3HG2      ILE   5   7.406  -3.772  -2.948
   29   1HD1  ILE   5          1HD1      ILE   5  12.821  -4.052  -2.654
   30   2HD1  ILE   5          2HD1      ILE   5  11.840  -5.508  -2.497
   31   3HD1  ILE   5          3HD1      ILE   5  11.774  -4.559  -3.980
   32    H    LYS   6           H        LYS   6   6.617  -3.446  -0.519
   33    HA   LYS   6           HA       LYS   6   5.038  -5.898  -0.713
   34   1HB   LYS   6          1HB       LYS   6   3.982  -3.192   0.084
   35   2HB   LYS   6          2HB       LYS   6   3.296  -4.775   0.420
   36   1HG   LYS   6          1HG       LYS   6   5.863  -3.716   1.583
   37   2HG   LYS   6          2HG       LYS   6   4.305  -3.777   2.407
   38   1HD   LYS   6          1HD       LYS   6   4.971  -6.356   1.319
   39   2HD   LYS   6          2HD       LYS   6   6.285  -5.759   2.335
   40   1HE   LYS   6          2HE       LYS   6   4.251  -5.153   3.933
   41   2HE   LYS   6          1HE       LYS   6   3.494  -6.482   3.052
   42   1HZ   LYS   6          1HZ       LYS   6   4.623  -7.910   4.286
   43   2HZ   LYS   6          2HZ       LYS   6   5.300  -6.634   5.171
   44   3HZ   LYS   6          3HZ       LYS   6   6.100  -7.236   3.800
   45    HA   PRO   7           HA       PRO   7   3.537  -4.938  -4.722
   46   1HB   PRO   7          1HB       PRO   7   1.188  -6.547  -4.212
   47   2HB   PRO   7          2HB       PRO   7   2.592  -6.932  -5.205
   48   1HG   PRO   7          1HG       PRO   7   1.981  -8.187  -2.848
   49   2HG   PRO   7          2HG       PRO   7   3.613  -8.085  -3.531
   50   1HD   PRO   7          1HD       PRO   7   2.382  -6.504  -1.315
   51   2HD   PRO   7          2HD       PRO   7   4.052  -7.080  -1.511
   52    H    PHE   8           H        PHE   8   1.393  -4.729  -1.939
   53    HA   PHE   8           HA       PHE   8  -0.434  -2.979  -3.396
   54   1HB   PHE   8          1HB       PHE   8  -0.575  -4.030  -0.560
   55   2HB   PHE   8          2HB       PHE   8  -1.818  -3.070  -1.346
   56    HD1  PHE   8           1HD      PHE   8  -0.367  -5.401  -3.626
   57    HD2  PHE   8           2HD      PHE   8  -3.187  -5.031  -0.468
   58    HE1  PHE   8           1HE      PHE   8  -1.454  -7.476  -4.363
   59    HE2  PHE   8           2HE      PHE   8  -4.280  -7.109  -1.190
   60    HZ   PHE   8           HZ       PHE   8  -3.418  -8.338  -3.148
   61    H    GLN   9           H        GLN   9   2.017  -1.892  -3.204
   62    HA   GLN   9           HA       GLN   9   2.446  -0.351  -0.871
   63   1HB   GLN   9          1HB       GLN   9   3.976  -0.973  -3.007
   64   2HB   GLN   9          2HB       GLN   9   3.503   0.664  -3.445
   65   1HG   GLN   9          1HG       GLN   9   4.262   0.783  -0.753
   66   2HG   GLN   9          2HG       GLN   9   5.467  -0.226  -1.554
   67   1HE2  GLN   9          1HE2      GLN   9   3.955   2.920  -1.485
   68   2HE2  GLN   9          2HE2      GLN   9   5.178   3.743  -2.396
   69    H    CYS  10           H        CYS  10   1.848   1.688  -0.354
   70    HA   CYS  10           HA       CYS  10  -0.358   2.838  -1.835
   71   1HB   CYS  10          1HB       CYS  10  -0.485   2.921   0.586
   72   2HB   CYS  10          2HB       CYS  10   1.066   3.751   0.679
   73    H    THR  11           H        THR  11  -0.112   4.207  -3.438
   74    HA   THR  11           HA       THR  11   2.491   5.225  -4.100
   75    HB   THR  11           HB       THR  11   0.368   6.208  -5.803
   76    HG1  THR  11           1HG      THR  11   0.494   3.377  -5.679
   77   1HG2  THR  11          1HG2      THR  11   2.228   5.987  -7.056
   78   2HG2  THR  11          2HG2      THR  11   1.747   4.299  -7.211
   79   3HG2  THR  11          3HG2      THR  11   2.917   4.773  -5.979
   80    H    TRP  12           H        TRP  12   1.304   6.360  -1.722
   81    HA   TRP  12           HA       TRP  12   0.646   9.082  -2.558
   82   1HB   TRP  12          1HB       TRP  12  -0.288   7.583  -0.472
   83   2HB   TRP  12          2HB       TRP  12   0.949   8.557   0.321
   84    HD1  TRP  12           HD       TRP  12   0.275  10.972   0.959
   85    HE1  TRP  12           1HE      TRP  12  -1.739  12.493   0.450
   86    HE3  TRP  12           3HE      TRP  12  -2.128   8.010  -2.444
   87    HZ2  TRP  12           2HZ      TRP  12  -4.048  12.436  -1.185
   88    HZ3  TRP  12           3HZ      TRP  12  -4.241   8.797  -3.411
   89    HH2  TRP  12           HH       TRP  12  -5.183  10.969  -2.802
   90    HA   PRO  13           HA       PRO  13   4.849  10.299  -2.387
   91   1HB   PRO  13          1HB       PRO  13   3.822  13.025  -1.862
   92   2HB   PRO  13          2HB       PRO  13   4.813  12.430  -3.199
   93   1HG   PRO  13          1HG       PRO  13   2.238  13.035  -3.563
   94   2HG   PRO  13          2HG       PRO  13   2.982  11.654  -4.387
   95   1HD   PRO  13          1HD       PRO  13   1.200  11.690  -1.984
   96   2HD   PRO  13          2HD       PRO  13   1.216  10.565  -3.359
   97    H    ASP  14           H        ASP  14   2.948  12.240  -0.062
   98    HA   ASP  14           HA       ASP  14   5.120  12.527   1.752
   99   1HB   ASP  14          1HB       ASP  14   3.668  14.243   2.109
  100   2HB   ASP  14          2HB       ASP  14   2.263  13.290   1.650
  101    H    CYS  15           H        CYS  15   2.589  10.213   1.373
  102    HA   CYS  15           HA       CYS  15   2.895   9.033   3.969
  103   1HB   CYS  15          1HB       CYS  15   0.728   8.971   3.033
  104   2HB   CYS  15          2HB       CYS  15   1.319   8.365   1.494
  105    H    ASP  16           H        ASP  16   3.073   7.411   0.818
  106    HA   ASP  16           HA       ASP  16   4.492   5.891  -0.073
  107   1HB   ASP  16          1HB       ASP  16   6.185   7.706   0.647
  108   2HB   ASP  16          2HB       ASP  16   6.588   6.577   1.929
  109    H    ARG  17           H        ARG  17   2.663   4.990   1.714
  110    HA   ARG  17           HA       ARG  17   3.942   3.155   3.561
  111   1HB   ARG  17          1HB       ARG  17   1.216   4.115   3.024
  112   2HB   ARG  17          2HB       ARG  17   1.299   2.413   3.470
  113   1HG   ARG  17          1HG       ARG  17   0.942   4.102   5.329
  114   2HG   ARG  17          2HG       ARG  17   2.202   2.891   5.565
  115   1HD   ARG  17          1HD       ARG  17   3.466   5.024   4.279
  116   2HD   ARG  17          2HD       ARG  17   2.412   5.763   5.486
  117    HE   ARG  17           HE       ARG  17   3.547   3.925   6.977
  118   1HH1  ARG  17          2HH1      ARG  17   5.012   6.028   4.596
  119   2HH1  ARG  17          1HH1      ARG  17   6.571   6.039   5.367
  120   1HH2  ARG  17          2HH2      ARG  17   5.603   3.937   8.007
  121   2HH2  ARG  17          1HH2      ARG  17   6.902   4.870   7.313
  122    H    SER  18           H        SER  18   3.115   0.796   3.470
  123    HA   SER  18           HA       SER  18   2.796  -0.157   0.727
  124   1HB   SER  18          1HB       SER  18   4.694  -1.890   1.931
  125   2HB   SER  18          2HB       SER  18   4.930  -0.834   0.538
  126    HG   SER  18           HG       SER  18   5.847   0.659   1.783
  127    H    PHE  19           H        PHE  19   1.302  -1.744   0.658
  128    HA   PHE  19           HA       PHE  19   0.622  -3.000   3.235
  129   1HB   PHE  19          1HB       PHE  19  -1.096  -1.957   0.998
  130   2HB   PHE  19          2HB       PHE  19  -1.721  -3.097   2.185
  131    HD1  PHE  19           1HD      PHE  19  -2.462  -2.373   4.255
  132    HD2  PHE  19           2HD      PHE  19  -0.191   0.250   1.804
  133    HE1  PHE  19           1HE      PHE  19  -2.937  -0.540   5.802
  134    HE2  PHE  19           2HE      PHE  19  -0.666   2.107   3.330
  135    HZ   PHE  19           HZ       PHE  19  -2.039   1.729   5.338
  136    H    SER  20           H        SER  20  -0.859  -4.892   2.942
  137    HA   SER  20           HA       SER  20  -0.256  -6.534   0.600
  138   1HB   SER  20          1HB       SER  20  -0.457  -8.154   3.009
  139   2HB   SER  20          2HB       SER  20   0.799  -8.147   1.771
  140    HG   SER  20           HG       SER  20   1.038  -5.927   3.211
  141    H    ARG  21           H        ARG  21  -2.414  -5.116   2.668
  142    HA   ARG  21           HA       ARG  21  -4.552  -7.074   2.171
  143   1HB   ARG  21          1HB       ARG  21  -4.433  -4.722   4.064
  144   2HB   ARG  21          2HB       ARG  21  -5.866  -5.692   3.792
  145   1HG   ARG  21          1HG       ARG  21  -5.048  -6.629   5.710
  146   2HG   ARG  21          2HG       ARG  21  -4.334  -7.676   4.484
  147   1HD   ARG  21          1HD       ARG  21  -2.472  -7.270   5.708
  148   2HD   ARG  21          2HD       ARG  21  -2.391  -5.877   4.634
  149    HE   ARG  21           HE       ARG  21  -2.847  -4.481   6.417
  150   1HH1  ARG  21          2HH1      ARG  21  -3.402  -7.827   7.353
  151   2HH1  ARG  21          1HH1      ARG  21  -3.441  -7.482   9.050
  152   1HH2  ARG  21          2HH2      ARG  21  -2.860  -4.040   8.677
  153   2HH2  ARG  21          1HH2      ARG  21  -3.129  -5.339   9.804
  154    H    SER  22           H        SER  22  -5.890  -6.685   0.554
  155    HA   SER  22           HA       SER  22  -5.646  -4.397  -1.069
  156   1HB   SER  22          1HB       SER  22  -8.098  -5.868  -1.520
  157   2HB   SER  22          2HB       SER  22  -6.669  -5.735  -2.545
  158    HG   SER  22           HG       SER  22  -6.443  -7.769  -2.033
  159    H    ASP  23           H        ASP  23  -7.790  -5.134   1.582
  160    HA   ASP  23           HA       ASP  23  -9.570  -2.914   0.829
  161   1HB   ASP  23          1HB       ASP  23 -10.664  -5.015   1.440
  162   2HB   ASP  23          2HB       ASP  23  -9.849  -5.003   3.000
  163    H    HIS  24           H        HIS  24  -7.014  -3.727   2.923
  164    HA   HIS  24           HA       HIS  24  -7.660  -1.698   4.852
  165   1HB   HIS  24          1HB       HIS  24  -5.884  -3.869   4.843
  166   2HB   HIS  24          2HB       HIS  24  -4.878  -2.423   4.973
  167    HD1  HIS  24           1HD      HIS  24  -4.369  -3.051   7.486
  168    HD2  HIS  24           2HD      HIS  24  -8.341  -2.207   6.608
  169    HE1  HIS  24           1HE      HIS  24  -5.496  -2.725   9.714
  170    HE2  HIS  24           2HE      HIS  24  -7.881  -2.109   9.158
  171    H    LEU  25           H        LEU  25  -5.466  -2.010   2.143
  172    HA   LEU  25           HA       LEU  25  -4.423   0.663   2.432
  173   1HB   LEU  25          1HB       LEU  25  -2.861  -0.645   1.420
  174   2HB   LEU  25          2HB       LEU  25  -4.053  -1.671   0.653
  175    HG   LEU  25           HG       LEU  25  -4.403   0.638  -0.738
  176   1HD1  LEU  25          1HD1      LEU  25  -1.435   0.460  -0.457
  177   2HD1  LEU  25          2HD1      LEU  25  -2.425   1.771  -1.103
  178   3HD1  LEU  25          3HD1      LEU  25  -2.384   1.471   0.636
  179   1HD2  LEU  25          1HD2      LEU  25  -3.517  -1.952  -1.211
  180   2HD2  LEU  25          2HD2      LEU  25  -3.920  -0.732  -2.422
  181   3HD2  LEU  25          3HD2      LEU  25  -2.251  -0.918  -1.879
  182    H    ALA  26           H        ALA  26  -7.216  -0.772   1.083
  183    HA   ALA  26           HA       ALA  26  -7.683   1.277  -0.901
  184   1HB   ALA  26          1HB       ALA  26  -8.798  -1.236  -0.360
  185   2HB   ALA  26          2HB       ALA  26 -10.091  -0.067  -0.082
  186   3HB   ALA  26          3HB       ALA  26  -9.256  -0.108  -1.637
  187    H    LEU  27           H        LEU  27  -8.777   0.560   2.402
  188    HA   LEU  27           HA       LEU  27 -10.429   2.922   2.484
  189   1HB   LEU  27          1HB       LEU  27 -11.154   2.238   4.560
  190   2HB   LEU  27          2HB       LEU  27 -10.766   0.715   3.792
  191    HG   LEU  27           HG       LEU  27  -8.414   1.295   5.073
  192   1HD1  LEU  27          1HD1      LEU  27  -9.528   3.245   6.165
  193   2HD1  LEU  27          2HD1      LEU  27 -10.636   2.112   6.939
  194   3HD1  LEU  27          3HD1      LEU  27  -8.911   2.040   7.296
  195   1HD2  LEU  27          1HD2      LEU  27  -9.584  -0.239   6.902
  196   2HD2  LEU  27          2HD2      LEU  27 -10.784  -0.398   5.621
  197   3HD2  LEU  27          3HD2      LEU  27  -9.108  -0.856   5.320
  198    H    HIS  28           H        HIS  28  -7.209   1.998   3.401
  199    HA   HIS  28           HA       HIS  28  -6.524   4.269   4.937
  200   1HB   HIS  28          1HB       HIS  28  -5.035   2.490   5.136
  201   2HB   HIS  28          2HB       HIS  28  -5.021   2.186   3.410
  202    HD1  HIS  28           1HD      HIS  28  -3.345   4.240   6.052
  203    HD2  HIS  28           2HD      HIS  28  -3.210   3.686   1.940
  204    HE1  HIS  28           1HE      HIS  28  -1.267   5.419   5.226
  205    H    ARG  29           H        ARG  29  -6.681   3.609   1.511
  206    HA   ARG  29           HA       ARG  29  -5.347   6.084   0.839
  207   1HB   ARG  29          1HB       ARG  29  -6.208   3.638  -0.605
  208   2HB   ARG  29          2HB       ARG  29  -6.088   5.128  -1.548
  209   1HG   ARG  29          1HG       ARG  29  -3.746   5.315  -0.370
  210   2HG   ARG  29          2HG       ARG  29  -3.945   3.571  -0.185
  211   1HD   ARG  29          1HD       ARG  29  -3.250   3.308  -2.277
  212   2HD   ARG  29          2HD       ARG  29  -4.673   4.187  -2.832
  213    HE   ARG  29           HE       ARG  29  -2.290   5.697  -2.038
  214   1HH1  ARG  29          2HH1      ARG  29  -4.555   4.680  -4.503
  215   2HH1  ARG  29          1HH1      ARG  29  -3.895   5.724  -5.727
  216   1HH2  ARG  29          2HH2      ARG  29  -1.412   7.069  -3.642
  217   2HH2  ARG  29          1HH2      ARG  29  -2.106   7.092  -5.236
  218    H    LYS  30           H        LYS  30  -8.587   5.084   1.335
  219    HA   LYS  30           HA       LYS  30  -9.733   6.997  -0.487
  220   1HB   LYS  30          1HB       LYS  30 -11.525   5.699  -0.219
  221   2HB   LYS  30          2HB       LYS  30 -10.660   4.767   0.989
  222   1HG   LYS  30          1HG       LYS  30 -11.685   7.206   2.126
  223   2HG   LYS  30          2HG       LYS  30 -12.969   6.269   1.355
  224   1HD   LYS  30          1HD       LYS  30 -11.450   4.379   2.698
  225   2HD   LYS  30          2HD       LYS  30 -11.507   5.753   3.804
  226   1HE   LYS  30          2HE       LYS  30 -13.369   4.226   4.207
  227   2HE   LYS  30          1HE       LYS  30 -13.940   5.796   3.649
  228   1HZ   LYS  30          1HZ       LYS  30 -13.833   3.244   2.154
  229   2HZ   LYS  30          2HZ       LYS  30 -13.979   4.729   1.357
  230   3HZ   LYS  30          3HZ       LYS  30 -15.176   4.237   2.453
  231    H    ARG  31           H        ARG  31  -8.701   6.932   2.814
  232    HA   ARG  31           HA       ARG  31 -10.029   9.359   3.594
  233   1HB   ARG  31          1HB       ARG  31  -8.494   7.326   4.858
  234   2HB   ARG  31          2HB       ARG  31  -7.698   8.863   5.165
  235   1HG   ARG  31          1HG       ARG  31 -10.630   8.716   5.565
  236   2HG   ARG  31          2HG       ARG  31  -9.584   7.925   6.742
  237   1HD   ARG  31          1HD       ARG  31  -9.352  10.805   5.882
  238   2HD   ARG  31          2HD       ARG  31 -10.154  10.255   7.353
  239    HE   ARG  31           HE       ARG  31  -7.991   9.448   8.129
  240   1HH1  ARG  31          2HH1      ARG  31  -7.967  11.699   5.434
  241   2HH1  ARG  31          1HH1      ARG  31  -6.355  12.265   5.755
  242   1HH2  ARG  31          2HH2      ARG  31  -5.877  10.188   8.548
  243   2HH2  ARG  31          1HH2      ARG  31  -5.165  11.406   7.529
  244    H    HIS  32           H        HIS  32  -7.137   8.488   1.966
  245    HA   HIS  32           HA       HIS  32  -5.497  10.697   2.436
  246   1HB   HIS  32          1HB       HIS  32  -5.729   8.559   0.401
  247   2HB   HIS  32          2HB       HIS  32  -4.802   9.973  -0.053
  248    HD1  HIS  32           1HD      HIS  32  -3.370  10.400   2.771
  249    HD2  HIS  32           2HD      HIS  32  -3.701   6.853   0.627
  250    HE1  HIS  32           1HE      HIS  32  -1.400   8.941   3.464
  251    H    MET  33           H        MET  33  -7.926  10.089  -0.079
  252    HA   MET  33           HA       MET  33  -7.333  12.439  -1.531
  253   1HB   MET  33          1HB       MET  33  -9.419  11.927  -2.792
  254   2HB   MET  33          2HB       MET  33  -8.269  10.599  -2.710
  255   1HG   MET  33          1HG       MET  33  -9.600   9.677  -0.824
  256   2HG   MET  33          2HG       MET  33 -10.799  10.927  -1.140
  257   1HE   MET  33          1HE       MET  33 -13.032   8.462  -2.705
  258   2HE   MET  33          2HE       MET  33 -12.033   7.836  -1.392
  259   3HE   MET  33          3HE       MET  33 -12.621   9.498  -1.338
  260    H    LEU  34           H        LEU  34  -8.739  12.211   1.392
  261    HA   LEU  34           HA       LEU  34  -9.921  13.601   2.729
  262   1HB   LEU  34          1HB       LEU  34  -8.408  15.231   0.879
  263   2HB   LEU  34          2HB       LEU  34  -9.851  16.065   1.430
  264    HG   LEU  34           HG       LEU  34  -8.712  14.938   3.728
  265   1HD1  LEU  34          1HD1      LEU  34  -6.599  14.571   2.857
  266   2HD1  LEU  34          2HD1      LEU  34  -6.677  15.979   1.796
  267   3HD1  LEU  34          3HD1      LEU  34  -6.454  16.193   3.532
  268   1HD2  LEU  34          1HD2      LEU  34  -8.099  17.749   3.168
  269   2HD2  LEU  34          2HD2      LEU  34  -9.789  17.306   2.928
  270   3HD2  LEU  34          3HD2      LEU  34  -9.019  17.026   4.489
  271    H    VAL  35           H        VAL  35 -11.661  12.182   1.394
  272    HA   VAL  35           HA       VAL  35 -13.683  14.095   0.429
  273    HB   VAL  35           HB       VAL  35 -13.543  11.104  -0.014
  274   1HG1  VAL  35          1HG1      VAL  35 -15.535  12.832  -1.391
  275   2HG1  VAL  35          2HG1      VAL  35 -15.624  11.123  -0.964
  276   3HG1  VAL  35          3HG1      VAL  35 -15.853  12.357   0.277
  277   1HG2  VAL  35          1HG2      VAL  35 -13.413  13.330  -2.037
  278   2HG2  VAL  35          2HG2      VAL  35 -11.991  12.537  -1.359
  279   3HG2  VAL  35          3HG2      VAL  35 -13.149  11.609  -2.313
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  16.702  -3.547   4.487
    2   2H    GLY   1          2H        GLY   1  17.900  -2.636   5.274
    3   3H    GLY   1          3H        GLY   1  17.785  -2.603   3.584
    4   1HA   GLY   1          2HA       GLY   1  16.832  -0.650   4.956
    5   2HA   GLY   1          1HA       GLY   1  15.940  -1.267   3.570
    6    H    SER   2           H        SER   2  13.844  -1.351   3.998
    7    HA   SER   2           HA       SER   2  13.012  -2.513   6.566
    8   1HB   SER   2          1HB       SER   2  11.047  -0.633   5.571
    9   2HB   SER   2          2HB       SER   2  11.830  -0.693   7.149
   10    HG   SER   2           HG       SER   2  13.054   0.387   4.820
   11    H    THR   3           H        THR   3  10.759  -3.360   6.473
   12    HA   THR   3           HA       THR   3  10.381  -4.855   4.026
   13    HB   THR   3           HB       THR   3   8.195  -5.176   5.857
   14    HG1  THR   3           1HG      THR   3   9.531  -4.409   7.495
   15   1HG2  THR   3          1HG2      THR   3   9.220  -6.823   4.222
   16   2HG2  THR   3          2HG2      THR   3   8.842  -7.456   5.825
   17   3HG2  THR   3          3HG2      THR   3  10.506  -7.052   5.406
   18    H    GLY   4           H        GLY   4   9.963  -2.943   2.697
   19   1HA   GLY   4          1HA       GLY   4   7.165  -2.033   2.985
   20   2HA   GLY   4          2HA       GLY   4   8.463  -0.924   2.567
   21    H    ILE   5           H        ILE   5   9.148  -3.810   1.143
   22    HA   ILE   5           HA       ILE   5   8.323  -2.836  -1.462
   23    HB   ILE   5           HB       ILE   5   9.746  -5.416  -0.800
   24   1HG1  ILE   5          2HG1      ILE   5  11.456  -3.446  -1.971
   25   2HG1  ILE   5          1HG1      ILE   5  10.674  -2.743  -0.559
   26   1HG2  ILE   5          1HG2      ILE   5   8.594  -5.101  -3.060
   27   2HG2  ILE   5          2HG2      ILE   5   9.830  -3.884  -3.383
   28   3HG2  ILE   5          3HG2      ILE   5  10.298  -5.556  -3.080
   29   1HD1  ILE   5          1HD1      ILE   5  11.461  -4.591   0.806
   30   2HD1  ILE   5          2HD1      ILE   5  12.235  -5.311  -0.606
   31   3HD1  ILE   5          3HD1      ILE   5  12.801  -3.759   0.017
   32    H    LYS   6           H        LYS   6   6.059  -3.005  -0.668
   33    HA   LYS   6           HA       LYS   6   4.958  -5.714  -0.897
   34   1HB   LYS   6          1HB       LYS   6   3.596  -3.175   0.033
   35   2HB   LYS   6          2HB       LYS   6   2.954  -4.811   0.141
   36   1HG   LYS   6          1HG       LYS   6   5.497  -4.721   1.438
   37   2HG   LYS   6          2HG       LYS   6   4.482  -3.411   2.042
   38   1HD   LYS   6          1HD       LYS   6   2.745  -5.531   1.962
   39   2HD   LYS   6          2HD       LYS   6   4.264  -6.293   2.436
   40   1HE   LYS   6          2HE       LYS   6   3.642  -3.774   3.823
   41   2HE   LYS   6          1HE       LYS   6   2.535  -5.103   4.160
   42   1HZ   LYS   6          1HZ       LYS   6   5.372  -5.745   4.248
   43   2HZ   LYS   6          2HZ       LYS   6   4.110  -6.261   5.258
   44   3HZ   LYS   6          3HZ       LYS   6   4.804  -4.728   5.481
   45    HA   PRO   7           HA       PRO   7   3.357  -4.695  -4.892
   46   1HB   PRO   7          1HB       PRO   7   1.252  -6.380  -5.069
   47   2HB   PRO   7          2HB       PRO   7   2.923  -6.945  -5.129
   48   1HG   PRO   7          1HG       PRO   7   0.972  -7.022  -2.876
   49   2HG   PRO   7          2HG       PRO   7   2.198  -8.212  -3.345
   50   1HD   PRO   7          1HD       PRO   7   2.472  -6.389  -1.287
   51   2HD   PRO   7          2HD       PRO   7   3.825  -7.180  -2.126
   52    H    PHE   8           H        PHE   8   1.309  -4.590  -2.097
   53    HA   PHE   8           HA       PHE   8  -0.599  -2.809  -3.417
   54   1HB   PHE   8          1HB       PHE   8  -0.629  -3.984  -0.631
   55   2HB   PHE   8          2HB       PHE   8  -1.898  -2.981  -1.320
   56    HD1  PHE   8           1HD      PHE   8  -0.547  -5.244  -3.723
   57    HD2  PHE   8           2HD      PHE   8  -3.264  -4.940  -0.471
   58    HE1  PHE   8           1HE      PHE   8  -1.678  -7.286  -4.485
   59    HE2  PHE   8           2HE      PHE   8  -4.401  -6.987  -1.215
   60    HZ   PHE   8           HZ       PHE   8  -3.612  -8.165  -3.232
   61    H    GLN   9           H        GLN   9   1.872  -1.759  -3.281
   62    HA   GLN   9           HA       GLN   9   2.398  -0.316  -0.885
   63   1HB   GLN   9          1HB       GLN   9   3.752  -0.842  -3.272
   64   2HB   GLN   9          2HB       GLN   9   3.516   0.900  -3.274
   65   1HG   GLN   9          1HG       GLN   9   4.363   0.224  -0.689
   66   2HG   GLN   9          2HG       GLN   9   5.388  -0.679  -1.803
   67   1HE2  GLN   9          1HE2      GLN   9   4.562   2.399  -0.543
   68   2HE2  GLN   9          2HE2      GLN   9   5.787   3.311  -1.365
   69    H    CYS  10           H        CYS  10   1.971   1.810  -0.377
   70    HA   CYS  10           HA       CYS  10  -0.180   3.070  -1.888
   71   1HB   CYS  10          1HB       CYS  10  -0.519   3.072   0.498
   72   2HB   CYS  10          2HB       CYS  10   1.078   3.756   0.778
   73    H    THR  11           H        THR  11   0.316   4.376  -3.475
   74    HA   THR  11           HA       THR  11   2.999   5.388  -3.739
   75    HB   THR  11           HB       THR  11   1.586   4.368  -5.602
   76    HG1  THR  11           1HG      THR  11   2.572   5.728  -7.142
   77   1HG2  THR  11          1HG2      THR  11   0.217   6.003  -6.891
   78   2HG2  THR  11          2HG2      THR  11   0.358   7.126  -5.538
   79   3HG2  THR  11          3HG2      THR  11  -0.471   5.584  -5.322
   80    H    TRP  12           H        TRP  12   1.140   6.561  -1.659
   81    HA   TRP  12           HA       TRP  12   0.739   9.290  -2.549
   82   1HB   TRP  12          1HB       TRP  12  -0.402   7.860  -0.534
   83   2HB   TRP  12          2HB       TRP  12   0.852   8.728   0.356
   84    HD1  TRP  12           HD       TRP  12   0.453  11.261   0.834
   85    HE1  TRP  12           1HE      TRP  12  -1.480  12.898   0.343
   86    HE3  TRP  12           3HE      TRP  12  -2.277   8.338  -2.334
   87    HZ2  TRP  12           2HZ      TRP  12  -3.862  12.917  -1.169
   88    HZ3  TRP  12           3HZ      TRP  12  -4.374   9.233  -3.252
   89    HH2  TRP  12           HH       TRP  12  -5.149  11.477  -2.687
   90    HA   PRO  13           HA       PRO  13   5.057  10.182  -2.308
   91   1HB   PRO  13          1HB       PRO  13   4.092  12.994  -2.149
   92   2HB   PRO  13          2HB       PRO  13   5.259  12.260  -3.257
   93   1HG   PRO  13          1HG       PRO  13   2.801  12.840  -4.080
   94   2HG   PRO  13          2HG       PRO  13   3.603  11.348  -4.605
   95   1HD   PRO  13          1HD       PRO  13   1.461  11.734  -2.560
   96   2HD   PRO  13          2HD       PRO  13   1.682  10.417  -3.730
   97    H    ASP  14           H        ASP  14   2.931  12.089  -0.189
   98    HA   ASP  14           HA       ASP  14   5.027  12.635   1.694
   99   1HB   ASP  14          1HB       ASP  14   3.334  14.290   1.516
  100   2HB   ASP  14          2HB       ASP  14   2.045  13.102   1.662
  101    H    CYS  15           H        CYS  15   2.938  10.044   1.141
  102    HA   CYS  15           HA       CYS  15   2.993   9.122   3.904
  103   1HB   CYS  15          1HB       CYS  15   0.844   9.125   2.859
  104   2HB   CYS  15          2HB       CYS  15   1.464   8.278   1.451
  105    H    ASP  16           H        ASP  16   3.210   7.395   0.808
  106    HA   ASP  16           HA       ASP  16   4.555   5.752   0.030
  107   1HB   ASP  16          1HB       ASP  16   6.324   7.503   0.721
  108   2HB   ASP  16          2HB       ASP  16   6.625   6.422   2.070
  109    H    ARG  17           H        ARG  17   2.688   4.743   1.399
  110    HA   ARG  17           HA       ARG  17   3.769   3.072   3.540
  111   1HB   ARG  17          1HB       ARG  17   1.131   4.138   2.859
  112   2HB   ARG  17          2HB       ARG  17   1.086   2.429   3.285
  113   1HG   ARG  17          1HG       ARG  17   0.761   4.184   5.137
  114   2HG   ARG  17          2HG       ARG  17   1.832   2.814   5.443
  115   1HD   ARG  17          1HD       ARG  17   3.342   4.911   4.235
  116   2HD   ARG  17          2HD       ARG  17   2.426   5.577   5.588
  117    HE   ARG  17           HE       ARG  17   3.478   3.358   6.681
  118   1HH1  ARG  17          2HH1      ARG  17   4.931   5.932   4.797
  119   2HH1  ARG  17          1HH1      ARG  17   6.487   5.775   5.552
  120   1HH2  ARG  17          2HH2      ARG  17   5.522   3.153   7.678
  121   2HH2  ARG  17          1HH2      ARG  17   6.820   4.201   7.195
  122    H    SER  18           H        SER  18   2.664   0.751   3.472
  123    HA   SER  18           HA       SER  18   2.565  -0.330   0.777
  124   1HB   SER  18          1HB       SER  18   4.400  -2.031   1.667
  125   2HB   SER  18          2HB       SER  18   4.854  -0.527   0.870
  126    HG   SER  18           HG       SER  18   5.748   0.106   2.661
  127    H    PHE  19           H        PHE  19   1.063  -1.902   0.741
  128    HA   PHE  19           HA       PHE  19   0.431  -3.182   3.318
  129   1HB   PHE  19          1HB       PHE  19  -1.404  -2.212   1.131
  130   2HB   PHE  19          2HB       PHE  19  -1.934  -3.292   2.416
  131    HD1  PHE  19           1HD      PHE  19  -0.503   0.056   1.754
  132    HD2  PHE  19           2HD      PHE  19  -2.545  -2.462   4.505
  133    HE1  PHE  19           1HE      PHE  19  -0.911   1.994   3.203
  134    HE2  PHE  19           2HE      PHE  19  -2.950  -0.530   5.976
  135    HZ   PHE  19           HZ       PHE  19  -2.129   1.709   5.314
  136    H    SER  20           H        SER  20  -0.708  -5.198   3.179
  137    HA   SER  20           HA       SER  20  -0.152  -6.739   0.736
  138   1HB   SER  20          1HB       SER  20  -0.385  -8.692   2.570
  139   2HB   SER  20          2HB       SER  20   1.162  -7.925   2.207
  140    HG   SER  20           HG       SER  20   0.395  -8.098   4.516
  141    H    ARG  21           H        ARG  21  -2.326  -5.445   2.920
  142    HA   ARG  21           HA       ARG  21  -4.541  -7.206   2.157
  143   1HB   ARG  21          1HB       ARG  21  -5.011  -5.026   4.106
  144   2HB   ARG  21          2HB       ARG  21  -5.566  -6.693   4.132
  145   1HG   ARG  21          1HG       ARG  21  -4.146  -6.690   5.924
  146   2HG   ARG  21          2HG       ARG  21  -3.053  -7.192   4.633
  147   1HD   ARG  21          1HD       ARG  21  -1.817  -5.340   4.791
  148   2HD   ARG  21          2HD       ARG  21  -3.238  -4.310   4.903
  149    HE   ARG  21           HE       ARG  21  -2.964  -4.244   7.162
  150   1HH1  ARG  21          2HH1      ARG  21  -1.123  -6.952   5.912
  151   2HH1  ARG  21          1HH1      ARG  21  -0.388  -7.328   7.440
  152   1HH2  ARG  21          2HH2      ARG  21  -1.990  -4.707   9.162
  153   2HH2  ARG  21          1HH2      ARG  21  -0.844  -6.015   9.283
  154    H    SER  22           H        SER  22  -5.749  -6.575   0.552
  155    HA   SER  22           HA       SER  22  -5.571  -4.005  -0.633
  156   1HB   SER  22          1HB       SER  22  -7.942  -5.240  -1.521
  157   2HB   SER  22          2HB       SER  22  -6.370  -5.232  -2.324
  158    HG   SER  22           HG       SER  22  -7.608  -7.215  -0.830
  159    H    ASP  23           H        ASP  23  -7.763  -5.442   1.691
  160    HA   ASP  23           HA       ASP  23  -9.736  -3.360   1.472
  161   1HB   ASP  23          1HB       ASP  23 -11.019  -4.645   2.843
  162   2HB   ASP  23          2HB       ASP  23  -9.877  -5.889   2.358
  163    H    HIS  24           H        HIS  24  -6.722  -3.510   2.827
  164    HA   HIS  24           HA       HIS  24  -7.477  -1.529   4.841
  165   1HB   HIS  24          1HB       HIS  24  -5.503  -3.558   4.895
  166   2HB   HIS  24          2HB       HIS  24  -4.676  -1.996   4.963
  167    HD1  HIS  24           1HD      HIS  24  -4.133  -2.481   7.535
  168    HD2  HIS  24           2HD      HIS  24  -8.146  -2.069   6.537
  169    HE1  HIS  24           1HE      HIS  24  -5.351  -2.208   9.721
  170    HE2  HIS  24           2HE      HIS  24  -7.794  -2.054   9.104
  171    H    LEU  25           H        LEU  25  -5.252  -1.948   2.127
  172    HA   LEU  25           HA       LEU  25  -4.363   0.757   2.197
  173   1HB   LEU  25          1HB       LEU  25  -2.840  -0.616   1.194
  174   2HB   LEU  25          2HB       LEU  25  -4.064  -1.598   0.419
  175    HG   LEU  25           HG       LEU  25  -4.379   0.743  -0.913
  176   1HD1  LEU  25          1HD1      LEU  25  -2.363   1.576   0.410
  177   2HD1  LEU  25          2HD1      LEU  25  -1.408   0.477  -0.585
  178   3HD1  LEU  25          3HD1      LEU  25  -2.321   1.782  -1.342
  179   1HD2  LEU  25          1HD2      LEU  25  -3.310  -1.866  -1.391
  180   2HD2  LEU  25          2HD2      LEU  25  -4.108  -0.768  -2.517
  181   3HD2  LEU  25          3HD2      LEU  25  -2.364  -0.673  -2.281
  182    H    ALA  26           H        ALA  26  -7.155  -0.831   0.812
  183    HA   ALA  26           HA       ALA  26  -7.700   1.276  -1.082
  184   1HB   ALA  26          1HB       ALA  26  -8.862  -0.528  -1.799
  185   2HB   ALA  26          2HB       ALA  26  -9.077  -1.178  -0.171
  186   3HB   ALA  26          3HB       ALA  26 -10.110   0.134  -0.743
  187    H    LEU  27           H        LEU  27  -8.599   0.541   2.256
  188    HA   LEU  27           HA       LEU  27 -10.402   2.802   2.394
  189   1HB   LEU  27          1HB       LEU  27 -11.110   1.980   4.368
  190   2HB   LEU  27          2HB       LEU  27 -10.368   0.511   3.777
  191    HG   LEU  27           HG       LEU  27  -8.264   1.532   5.100
  192   1HD1  LEU  27          1HD1      LEU  27  -8.908   2.627   7.116
  193   2HD1  LEU  27          2HD1      LEU  27  -9.642   3.522   5.785
  194   3HD1  LEU  27          3HD1      LEU  27 -10.622   2.421   6.753
  195   1HD2  LEU  27          1HD2      LEU  27  -8.979   0.116   7.012
  196   2HD2  LEU  27          2HD2      LEU  27 -10.558  -0.047   6.242
  197   3HD2  LEU  27          3HD2      LEU  27  -9.119  -0.677   5.443
  198    H    HIS  28           H        HIS  28  -7.138   1.982   3.321
  199    HA   HIS  28           HA       HIS  28  -6.515   4.305   4.772
  200   1HB   HIS  28          1HB       HIS  28  -5.009   2.551   5.035
  201   2HB   HIS  28          2HB       HIS  28  -4.945   2.221   3.314
  202    HD1  HIS  28           1HD      HIS  28  -3.328   4.218   5.984
  203    HD2  HIS  28           2HD      HIS  28  -3.189   3.859   1.851
  204    HE1  HIS  28           1HE      HIS  28  -1.237   5.417   5.220
  205    H    ARG  29           H        ARG  29  -6.665   3.625   1.352
  206    HA   ARG  29           HA       ARG  29  -5.330   6.103   0.677
  207   1HB   ARG  29          1HB       ARG  29  -6.256   3.696  -0.818
  208   2HB   ARG  29          2HB       ARG  29  -6.051   5.207  -1.711
  209   1HG   ARG  29          1HG       ARG  29  -3.728   5.216  -0.430
  210   2HG   ARG  29          2HG       ARG  29  -4.019   3.477  -0.416
  211   1HD   ARG  29          1HD       ARG  29  -3.060   3.514  -2.439
  212   2HD   ARG  29          2HD       ARG  29  -4.625   4.109  -2.990
  213    HE   ARG  29           HE       ARG  29  -2.513   5.999  -2.193
  214   1HH1  ARG  29          2HH1      ARG  29  -4.742   4.729  -4.574
  215   2HH1  ARG  29          1HH1      ARG  29  -4.380   5.954  -5.758
  216   1HH2  ARG  29          2HH2      ARG  29  -2.008   7.602  -3.761
  217   2HH2  ARG  29          1HH2      ARG  29  -2.793   7.571  -5.309
  218    H    LYS  30           H        LYS  30  -8.586   4.949   0.993
  219    HA   LYS  30           HA       LYS  30  -9.760   6.942  -0.683
  220   1HB   LYS  30          1HB       LYS  30 -11.582   5.686  -0.414
  221   2HB   LYS  30          2HB       LYS  30 -10.643   4.637   0.635
  222   1HG   LYS  30          1HG       LYS  30 -11.567   6.901   2.124
  223   2HG   LYS  30          2HG       LYS  30 -12.919   6.141   1.278
  224   1HD   LYS  30          1HD       LYS  30 -11.391   4.035   2.289
  225   2HD   LYS  30          2HD       LYS  30 -11.446   5.230   3.584
  226   1HE   LYS  30          2HE       LYS  30 -13.319   3.806   3.894
  227   2HE   LYS  30          1HE       LYS  30 -13.934   5.329   3.254
  228   1HZ   LYS  30          1HZ       LYS  30 -14.614   2.953   2.285
  229   2HZ   LYS  30          2HZ       LYS  30 -13.285   3.288   1.288
  230   3HZ   LYS  30          3HZ       LYS  30 -14.595   4.369   1.349
  231    H    ARG  31           H        ARG  31  -8.798   6.760   2.650
  232    HA   ARG  31           HA       ARG  31 -10.147   9.207   3.394
  233   1HB   ARG  31          1HB       ARG  31  -8.922   8.930   5.548
  234   2HB   ARG  31          2HB       ARG  31  -9.898   7.538   5.106
  235   1HG   ARG  31          1HG       ARG  31  -8.107   6.189   4.829
  236   2HG   ARG  31          2HG       ARG  31  -7.069   7.497   4.260
  237   1HD   ARG  31          1HD       ARG  31  -7.920   7.749   7.052
  238   2HD   ARG  31          2HD       ARG  31  -6.914   6.339   6.720
  239    HE   ARG  31           HE       ARG  31  -5.834   8.723   5.574
  240   1HH1  ARG  31          2HH1      ARG  31  -6.066   6.867   8.542
  241   2HH1  ARG  31          1HH1      ARG  31  -4.665   7.615   9.260
  242   1HH2  ARG  31          2HH2      ARG  31  -3.972   9.657   6.489
  243   2HH2  ARG  31          1HH2      ARG  31  -3.473   9.199   8.088
  244    H    HIS  32           H        HIS  32  -7.362   8.479   1.706
  245    HA   HIS  32           HA       HIS  32  -5.581  10.502   2.642
  246   1HB   HIS  32          1HB       HIS  32  -5.714   8.571   0.428
  247   2HB   HIS  32          2HB       HIS  32  -4.889  10.064   0.025
  248    HD1  HIS  32           1HD      HIS  32  -3.249  10.562   2.593
  249    HD2  HIS  32           2HD      HIS  32  -3.730   6.867   0.753
  250    HE1  HIS  32           1HE      HIS  32  -1.260   9.140   3.288
  251    H    MET  33           H        MET  33  -8.177  10.337   0.343
  252    HA   MET  33           HA       MET  33  -7.539  12.665  -1.124
  253   1HB   MET  33          1HB       MET  33 -10.350  11.653  -0.883
  254   2HB   MET  33          2HB       MET  33  -9.530  12.330  -2.283
  255   1HG   MET  33          1HG       MET  33  -8.313  10.340  -2.649
  256   2HG   MET  33          2HG       MET  33  -8.794   9.679  -1.088
  257   1HE   MET  33          1HE       MET  33  -8.766   7.980  -3.159
  258   2HE   MET  33          2HE       MET  33 -10.171   7.161  -2.477
  259   3HE   MET  33          3HE       MET  33 -10.178   7.664  -4.168
  260    H    LEU  34           H        LEU  34  -9.224  12.113   1.837
  261    HA   LEU  34           HA       LEU  34 -10.154  13.460   3.389
  262   1HB   LEU  34          1HB       LEU  34  -8.214  15.202   2.015
  263   2HB   LEU  34          2HB       LEU  34  -9.464  16.039   2.916
  264    HG   LEU  34           HG       LEU  34  -8.587  14.082   4.673
  265   1HD1  LEU  34          1HD1      LEU  34  -6.285  13.962   4.642
  266   2HD1  LEU  34          2HD1      LEU  34  -6.673  13.898   2.923
  267   3HD1  LEU  34          3HD1      LEU  34  -6.116  15.407   3.646
  268   1HD2  LEU  34          1HD2      LEU  34  -7.244  16.663   4.920
  269   2HD2  LEU  34          2HD2      LEU  34  -8.981  16.784   4.644
  270   3HD2  LEU  34          3HD2      LEU  34  -8.369  15.857   6.013
  271    H    VAL  35           H        VAL  35 -11.984  12.763   1.794
  272    HA   VAL  35           HA       VAL  35 -13.427  15.217   1.026
  273    HB   VAL  35           HB       VAL  35 -14.765  13.664  -0.518
  274   1HG1  VAL  35          1HG1      VAL  35 -13.654  14.833  -2.035
  275   2HG1  VAL  35          2HG1      VAL  35 -12.336  15.100  -0.891
  276   3HG1  VAL  35          3HG1      VAL  35 -12.323  13.680  -1.938
  277   1HG2  VAL  35          1HG2      VAL  35 -12.311  11.983  -0.657
  278   2HG2  VAL  35          2HG2      VAL  35 -13.513  11.634   0.585
  279   3HG2  VAL  35          3HG2      VAL  35 -13.970  11.601  -1.119
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1  14.524  -5.660   9.747
    2   2H    GLY   1          2H        GLY   1  15.938  -6.597   9.703
    3   3H    GLY   1          3H        GLY   1  14.565  -7.096   8.847
    4   1HA   GLY   1          2HA       GLY   1  16.439  -4.915   8.231
    5   2HA   GLY   1          1HA       GLY   1  15.876  -6.213   7.188
    6    H    SER   2           H        SER   2  15.397  -4.549   5.620
    7    HA   SER   2           HA       SER   2  13.176  -2.770   6.267
    8   1HB   SER   2          1HB       SER   2  14.268  -2.961   3.503
    9   2HB   SER   2          2HB       SER   2  13.780  -1.537   4.424
   10    HG   SER   2           HG       SER   2  15.703  -1.860   5.698
   11    H    THR   3           H        THR   3  11.603  -4.414   6.596
   12    HA   THR   3           HA       THR   3  10.820  -5.951   4.227
   13    HB   THR   3           HB       THR   3   9.376  -6.277   6.806
   14    HG1  THR   3           1HG      THR   3  12.071  -7.131   6.364
   15   1HG2  THR   3          1HG2      THR   3  10.576  -8.414   5.080
   16   2HG2  THR   3          2HG2      THR   3   9.088  -7.598   4.600
   17   3HG2  THR   3          3HG2      THR   3   9.153  -8.494   6.119
   18    H    GLY   4           H        GLY   4  10.392  -3.266   3.980
   19   1HA   GLY   4          1HA       GLY   4   7.529  -2.893   4.565
   20   2HA   GLY   4          2HA       GLY   4   8.680  -1.592   4.278
   21    H    ILE   5           H        ILE   5   9.398  -3.962   2.130
   22    HA   ILE   5           HA       ILE   5   8.163  -2.523  -0.045
   23    HB   ILE   5           HB       ILE   5  10.049  -4.868   0.065
   24   1HG1  ILE   5          2HG1      ILE   5  11.138  -2.769   0.431
   25   2HG1  ILE   5          1HG1      ILE   5  11.493  -3.246  -1.226
   26   1HG2  ILE   5          1HG2      ILE   5   8.221  -4.825  -1.853
   27   2HG2  ILE   5          2HG2      ILE   5   9.342  -3.660  -2.558
   28   3HG2  ILE   5          3HG2      ILE   5   9.891  -5.293  -2.171
   29   1HD1  ILE   5          1HD1      ILE   5  11.019  -0.935  -1.263
   30   2HD1  ILE   5          2HD1      ILE   5   9.604  -1.744  -1.938
   31   3HD1  ILE   5          3HD1      ILE   5   9.567  -1.145  -0.281
   32    H    LYS   6           H        LYS   6   6.138  -2.874  -0.516
   33    HA   LYS   6           HA       LYS   6   5.071  -5.617  -0.441
   34   1HB   LYS   6          1HB       LYS   6   3.525  -3.118   0.263
   35   2HB   LYS   6          2HB       LYS   6   2.993  -4.788   0.430
   36   1HG   LYS   6          1HG       LYS   6   5.447  -4.204   1.894
   37   2HG   LYS   6          2HG       LYS   6   4.061  -3.246   2.418
   38   1HD   LYS   6          1HD       LYS   6   2.988  -5.751   2.156
   39   2HD   LYS   6          2HD       LYS   6   4.613  -6.091   2.753
   40   1HE   LYS   6          2HE       LYS   6   4.258  -4.567   4.622
   41   2HE   LYS   6          1HE       LYS   6   2.648  -4.184   4.014
   42   1HZ   LYS   6          1HZ       LYS   6   2.860  -5.903   5.869
   43   2HZ   LYS   6          2HZ       LYS   6   3.417  -6.959   4.665
   44   3HZ   LYS   6          3HZ       LYS   6   1.864  -6.291   4.550
   45    HA   PRO   7           HA       PRO   7   3.707  -4.765  -4.556
   46   1HB   PRO   7          1HB       PRO   7   1.657  -6.507  -4.795
   47   2HB   PRO   7          2HB       PRO   7   3.341  -7.034  -4.732
   48   1HG   PRO   7          1HG       PRO   7   1.251  -7.090  -2.607
   49   2HG   PRO   7          2HG       PRO   7   2.543  -8.255  -2.945
   50   1HD   PRO   7          1HD       PRO   7   2.608  -6.330  -0.953
   51   2HD   PRO   7          2HD       PRO   7   4.035  -7.134  -1.640
   52    H    PHE   8           H        PHE   8   1.438  -4.652  -1.916
   53    HA   PHE   8           HA       PHE   8  -0.434  -3.002  -3.442
   54   1HB   PHE   8          1HB       PHE   8  -0.579  -4.005  -0.590
   55   2HB   PHE   8          2HB       PHE   8  -1.845  -3.110  -1.418
   56    HD1  PHE   8           1HD      PHE   8  -0.281  -5.420  -3.632
   57    HD2  PHE   8           2HD      PHE   8  -3.141  -5.119  -0.498
   58    HE1  PHE   8           1HE      PHE   8  -1.284  -7.547  -4.343
   59    HE2  PHE   8           2HE      PHE   8  -4.134  -7.255  -1.191
   60    HZ   PHE   8           HZ       PHE   8  -3.210  -8.470  -3.124
   61    H    GLN   9           H        GLN   9   1.807  -1.721  -3.399
   62    HA   GLN   9           HA       GLN   9   2.353  -0.229  -1.043
   63   1HB   GLN   9          1HB       GLN   9   4.263  -0.206  -2.240
   64   2HB   GLN   9          2HB       GLN   9   3.420  -0.463  -3.757
   65   1HG   GLN   9          1HG       GLN   9   3.914   1.615  -4.312
   66   2HG   GLN   9          2HG       GLN   9   2.835   2.167  -3.033
   67   1HE2  GLN   9          1HE2      GLN   9   3.706   3.536  -1.687
   68   2HE2  GLN   9          2HE2      GLN   9   5.384   3.637  -1.253
   69    H    CYS  10           H        CYS  10   1.761   1.798  -0.466
   70    HA   CYS  10           HA       CYS  10  -0.505   2.993  -1.838
   71   1HB   CYS  10          1HB       CYS  10  -0.657   3.105   0.547
   72   2HB   CYS  10          2HB       CYS  10   0.994   3.706   0.690
   73    H    THR  11           H        THR  11  -0.162   4.276  -3.512
   74    HA   THR  11           HA       THR  11   2.472   5.281  -4.038
   75    HB   THR  11           HB       THR  11   0.224   6.124  -5.781
   76    HG1  THR  11           1HG      THR  11  -0.332   3.938  -5.184
   77   1HG2  THR  11          1HG2      THR  11   2.324   6.649  -6.647
   78   2HG2  THR  11          2HG2      THR  11   1.932   5.140  -7.472
   79   3HG2  THR  11          3HG2      THR  11   3.039   5.134  -6.099
   80    H    TRP  12           H        TRP  12   1.048   6.463  -1.739
   81    HA   TRP  12           HA       TRP  12   0.655   9.224  -2.630
   82   1HB   TRP  12          1HB       TRP  12  -0.522   7.820  -0.581
   83   2HB   TRP  12          2HB       TRP  12   0.737   8.722   0.266
   84    HD1  TRP  12           HD       TRP  12   0.289  11.248   0.709
   85    HE1  TRP  12           1HE      TRP  12  -1.617  12.879   0.111
   86    HE3  TRP  12           3HE      TRP  12  -2.327   8.271  -2.507
   87    HZ2  TRP  12           2HZ      TRP  12  -3.927  12.886  -1.504
   88    HZ3  TRP  12           3HZ      TRP  12  -4.380   9.154  -3.528
   89    HH2  TRP  12           HH       TRP  12  -5.163  11.421  -3.043
   90    HA   PRO  13           HA       PRO  13   4.996   9.881  -2.253
   91   1HB   PRO  13          1HB       PRO  13   4.262  12.751  -2.253
   92   2HB   PRO  13          2HB       PRO  13   5.301  11.856  -3.369
   93   1HG   PRO  13          1HG       PRO  13   2.866  12.662  -4.103
   94   2HG   PRO  13          2HG       PRO  13   3.509  11.096  -4.630
   95   1HD   PRO  13          1HD       PRO  13   1.529  11.709  -2.474
   96   2HD   PRO  13          2HD       PRO  13   1.534  10.382  -3.655
   97    H    ASP  14           H        ASP  14   2.917  12.041  -0.344
   98    HA   ASP  14           HA       ASP  14   4.924  12.682   1.569
   99   1HB   ASP  14          1HB       ASP  14   3.288  14.299   1.495
  100   2HB   ASP  14          2HB       ASP  14   1.994  13.133   1.260
  101    H    CYS  15           H        CYS  15   2.786  10.069   1.172
  102    HA   CYS  15           HA       CYS  15   2.963   9.221   3.947
  103   1HB   CYS  15          1HB       CYS  15   0.772   9.121   3.129
  104   2HB   CYS  15          2HB       CYS  15   1.280   8.469   1.579
  105    H    ASP  16           H        ASP  16   3.107   7.463   0.860
  106    HA   ASP  16           HA       ASP  16   4.417   5.808   0.067
  107   1HB   ASP  16          1HB       ASP  16   6.213   7.566   0.735
  108   2HB   ASP  16          2HB       ASP  16   6.568   6.425   2.022
  109    H    ARG  17           H        ARG  17   2.587   4.845   1.531
  110    HA   ARG  17           HA       ARG  17   3.769   3.051   3.530
  111   1HB   ARG  17          1HB       ARG  17   1.123   4.219   3.076
  112   2HB   ARG  17          2HB       ARG  17   1.065   2.498   3.455
  113   1HG   ARG  17          1HG       ARG  17   0.858   3.978   5.421
  114   2HG   ARG  17          2HG       ARG  17   2.219   2.860   5.516
  115   1HD   ARG  17          1HD       ARG  17   3.706   4.675   4.719
  116   2HD   ARG  17          2HD       ARG  17   2.328   5.776   4.761
  117    HE   ARG  17           HE       ARG  17   2.502   4.593   7.261
  118   1HH1  ARG  17          2HH1      ARG  17   4.407   6.756   5.261
  119   2HH1  ARG  17          1HH1      ARG  17   5.178   7.528   6.613
  120   1HH2  ARG  17          2HH2      ARG  17   3.522   5.603   9.039
  121   2HH2  ARG  17          1HH2      ARG  17   4.654   6.894   8.761
  122    H    SER  18           H        SER  18   2.711   0.739   3.383
  123    HA   SER  18           HA       SER  18   2.101  -0.140   0.705
  124   1HB   SER  18          1HB       SER  18   4.737  -0.854   2.001
  125   2HB   SER  18          2HB       SER  18   4.042  -1.759   0.657
  126    HG   SER  18           HG       SER  18   4.222   1.000   0.342
  127    H    PHE  19           H        PHE  19   0.836  -1.902   0.783
  128    HA   PHE  19           HA       PHE  19   0.619  -3.241   3.403
  129   1HB   PHE  19          1HB       PHE  19  -1.523  -2.441   1.428
  130   2HB   PHE  19          2HB       PHE  19  -1.820  -3.487   2.811
  131    HD1  PHE  19           1HD      PHE  19  -2.226  -2.599   4.920
  132    HD2  PHE  19           2HD      PHE  19  -0.724  -0.093   1.831
  133    HE1  PHE  19           1HE      PHE  19  -2.598  -0.636   6.343
  134    HE2  PHE  19           2HE      PHE  19  -1.107   1.887   3.231
  135    HZ   PHE  19           HZ       PHE  19  -2.037   1.623   5.493
  136    H    SER  20           H        SER  20  -0.699  -5.269   3.241
  137    HA   SER  20           HA       SER  20  -0.166  -6.769   0.766
  138   1HB   SER  20          1HB       SER  20  -0.527  -8.672   2.775
  139   2HB   SER  20          2HB       SER  20   1.011  -8.223   2.035
  140    HG   SER  20           HG       SER  20   0.248  -7.897   4.552
  141    H    ARG  21           H        ARG  21  -2.325  -5.292   2.707
  142    HA   ARG  21           HA       ARG  21  -4.549  -7.131   2.179
  143   1HB   ARG  21          1HB       ARG  21  -4.362  -4.739   4.032
  144   2HB   ARG  21          2HB       ARG  21  -5.786  -5.744   3.829
  145   1HG   ARG  21          1HG       ARG  21  -4.904  -6.622   5.744
  146   2HG   ARG  21          2HG       ARG  21  -4.166  -7.672   4.533
  147   1HD   ARG  21          1HD       ARG  21  -2.236  -7.155   5.551
  148   2HD   ARG  21          2HD       ARG  21  -2.361  -5.637   4.668
  149    HE   ARG  21           HE       ARG  21  -2.723  -4.548   6.645
  150   1HH1  ARG  21          2HH1      ARG  21  -3.310  -7.985   7.149
  151   2HH1  ARG  21          1HH1      ARG  21  -3.398  -7.830   8.880
  152   1HH2  ARG  21          2HH2      ARG  21  -2.834  -4.383   8.926
  153   2HH2  ARG  21          1HH2      ARG  21  -3.142  -5.805   9.878
  154    H    SER  22           H        SER  22  -5.839  -6.688   0.523
  155    HA   SER  22           HA       SER  22  -5.473  -4.331  -1.030
  156   1HB   SER  22          1HB       SER  22  -7.813  -5.787  -1.820
  157   2HB   SER  22          2HB       SER  22  -6.246  -5.686  -2.625
  158    HG   SER  22           HG       SER  22  -7.220  -7.815  -1.630
  159    H    ASP  23           H        ASP  23  -7.621  -5.107   1.532
  160    HA   ASP  23           HA       ASP  23  -9.495  -2.978   0.740
  161   1HB   ASP  23          1HB       ASP  23 -10.690  -4.933   1.330
  162   2HB   ASP  23          2HB       ASP  23  -9.654  -5.250   2.716
  163    H    HIS  24           H        HIS  24  -6.914  -3.733   2.810
  164    HA   HIS  24           HA       HIS  24  -7.576  -1.691   4.736
  165   1HB   HIS  24          1HB       HIS  24  -5.693  -3.835   4.651
  166   2HB   HIS  24          2HB       HIS  24  -4.829  -2.334   4.988
  167    HD1  HIS  24           1HD      HIS  24  -4.424  -3.136   7.462
  168    HD2  HIS  24           2HD      HIS  24  -8.405  -2.568   6.401
  169    HE1  HIS  24           1HE      HIS  24  -5.714  -3.178   9.621
  170    HE2  HIS  24           2HE      HIS  24  -8.090  -2.652   8.966
  171    H    LEU  25           H        LEU  25  -5.410  -2.040   2.019
  172    HA   LEU  25           HA       LEU  25  -4.404   0.664   2.244
  173   1HB   LEU  25          1HB       LEU  25  -2.796  -0.654   1.309
  174   2HB   LEU  25          2HB       LEU  25  -3.957  -1.713   0.535
  175    HG   LEU  25           HG       LEU  25  -4.309   0.572  -0.897
  176   1HD1  LEU  25          1HD1      LEU  25  -1.352   0.448  -0.682
  177   2HD1  LEU  25          2HD1      LEU  25  -2.401   1.782  -1.164
  178   3HD1  LEU  25          3HD1      LEU  25  -2.253   1.348   0.539
  179   1HD2  LEU  25          1HD2      LEU  25  -3.858  -0.882  -2.508
  180   2HD2  LEU  25          2HD2      LEU  25  -2.153  -0.912  -2.053
  181   3HD2  LEU  25          3HD2      LEU  25  -3.291  -2.019  -1.284
  182    H    ALA  26           H        ALA  26  -7.237  -0.742   1.139
  183    HA   ALA  26           HA       ALA  26  -7.726   1.231  -0.950
  184   1HB   ALA  26          1HB       ALA  26  -9.434  -0.938   0.256
  185   2HB   ALA  26          2HB       ALA  26 -10.070   0.259  -0.871
  186   3HB   ALA  26          3HB       ALA  26  -8.787  -0.838  -1.381
  187    H    LEU  27           H        LEU  27  -8.764   0.514   2.386
  188    HA   LEU  27           HA       LEU  27 -10.362   2.898   2.549
  189   1HB   LEU  27          1HB       LEU  27 -10.776   2.341   4.810
  190   2HB   LEU  27          2HB       LEU  27 -10.774   0.837   3.917
  191    HG   LEU  27           HG       LEU  27  -8.199   0.887   4.777
  192   1HD1  LEU  27          1HD1      LEU  27  -7.853   2.192   6.541
  193   2HD1  LEU  27          2HD1      LEU  27  -9.433   2.923   6.264
  194   3HD1  LEU  27          3HD1      LEU  27  -9.281   1.545   7.353
  195   1HD2  LEU  27          1HD2      LEU  27 -10.719  -0.284   5.827
  196   2HD2  LEU  27          2HD2      LEU  27  -9.308  -1.076   5.125
  197   3HD2  LEU  27          3HD2      LEU  27  -9.245  -0.464   6.778
  198    H    HIS  28           H        HIS  28  -7.128   1.933   3.461
  199    HA   HIS  28           HA       HIS  28  -6.331   4.218   4.874
  200   1HB   HIS  28          1HB       HIS  28  -4.876   2.352   4.926
  201   2HB   HIS  28          2HB       HIS  28  -4.868   2.196   3.186
  202    HD1  HIS  28           1HD      HIS  28  -3.253   4.097   5.980
  203    HD2  HIS  28           2HD      HIS  28  -3.094   3.757   1.865
  204    HE1  HIS  28           1HE      HIS  28  -1.200   5.365   5.232
  205    H    ARG  29           H        ARG  29  -6.531   3.531   1.441
  206    HA   ARG  29           HA       ARG  29  -5.200   5.960   0.697
  207   1HB   ARG  29          1HB       ARG  29  -6.362   3.612  -0.700
  208   2HB   ARG  29          2HB       ARG  29  -6.212   5.110  -1.625
  209   1HG   ARG  29          1HG       ARG  29  -3.764   5.001  -0.506
  210   2HG   ARG  29          2HG       ARG  29  -4.129   3.277  -0.631
  211   1HD   ARG  29          1HD       ARG  29  -3.488   3.395  -2.757
  212   2HD   ARG  29          2HD       ARG  29  -4.940   4.350  -3.062
  213    HE   ARG  29           HE       ARG  29  -2.772   5.950  -2.098
  214   1HH1  ARG  29          2HH1      ARG  29  -4.085   4.419  -4.955
  215   2HH1  ARG  29          1HH1      ARG  29  -3.304   5.516  -6.063
  216   1HH2  ARG  29          2HH2      ARG  29  -1.719   7.376  -3.546
  217   2HH2  ARG  29          1HH2      ARG  29  -1.944   7.193  -5.261
  218    H    LYS  30           H        LYS  30  -8.458   5.062   1.356
  219    HA   LYS  30           HA       LYS  30  -9.668   7.071  -0.280
  220   1HB   LYS  30          1HB       LYS  30 -11.469   5.838   0.155
  221   2HB   LYS  30          2HB       LYS  30 -10.554   4.893   1.318
  222   1HG   LYS  30          1HG       LYS  30 -11.424   7.434   2.416
  223   2HG   LYS  30          2HG       LYS  30 -12.770   6.448   1.837
  224   1HD   LYS  30          1HD       LYS  30 -11.030   4.702   3.187
  225   2HD   LYS  30          2HD       LYS  30 -11.175   6.141   4.199
  226   1HE   LYS  30          2HE       LYS  30 -12.869   4.395   4.701
  227   2HE   LYS  30          1HE       LYS  30 -13.568   5.945   4.236
  228   1HZ   LYS  30          1HZ       LYS  30 -14.287   5.131   2.241
  229   2HZ   LYS  30          2HZ       LYS  30 -14.455   3.747   3.209
  230   3HZ   LYS  30          3HZ       LYS  30 -13.119   3.900   2.174
  231    H    ARG  31           H        ARG  31  -8.547   6.880   3.043
  232    HA   ARG  31           HA       ARG  31  -9.642   9.346   3.925
  233   1HB   ARG  31          1HB       ARG  31  -8.432   9.039   5.878
  234   2HB   ARG  31          2HB       ARG  31  -8.599   7.389   5.300
  235   1HG   ARG  31          1HG       ARG  31  -6.395   7.132   5.060
  236   2HG   ARG  31          2HG       ARG  31  -6.200   8.714   4.305
  237   1HD   ARG  31          1HD       ARG  31  -6.082   7.949   7.184
  238   2HD   ARG  31          2HD       ARG  31  -5.004   8.987   6.254
  239    HE   ARG  31           HE       ARG  31  -7.578   9.743   7.430
  240   1HH1  ARG  31          2HH1      ARG  31  -4.639  10.651   5.740
  241   2HH1  ARG  31          1HH1      ARG  31  -4.902  12.359   5.938
  242   1HH2  ARG  31          2HH2      ARG  31  -7.907  11.979   7.729
  243   2HH2  ARG  31          1HH2      ARG  31  -6.740  13.114   7.109
  244    H    HIS  32           H        HIS  32  -7.008   8.549   1.891
  245    HA   HIS  32           HA       HIS  32  -5.402  10.850   2.302
  246   1HB   HIS  32          1HB       HIS  32  -5.581   8.664   0.276
  247   2HB   HIS  32          2HB       HIS  32  -4.661  10.098  -0.120
  248    HD1  HIS  32           1HD      HIS  32  -3.065  10.637   2.409
  249    HD2  HIS  32           2HD      HIS  32  -3.769   6.841   0.864
  250    HE1  HIS  32           1HE      HIS  32  -1.207   9.135   3.283
  251    H    MET  33           H        MET  33  -7.894   9.943  -0.017
  252    HA   MET  33           HA       MET  33  -7.639  12.473  -1.398
  253   1HB   MET  33          1HB       MET  33  -9.063  11.531  -3.071
  254   2HB   MET  33          2HB       MET  33  -7.876  10.317  -2.618
  255   1HG   MET  33          1HG       MET  33  -9.675   9.462  -1.010
  256   2HG   MET  33          2HG       MET  33 -10.784  10.432  -1.971
  257   1HE   MET  33          1HE       MET  33 -12.238   8.717  -2.553
  258   2HE   MET  33          2HE       MET  33 -11.995   9.247  -4.217
  259   3HE   MET  33          3HE       MET  33 -11.997   7.528  -3.829
  260    H    LEU  34           H        LEU  34  -9.558  11.150   1.073
  261    HA   LEU  34           HA       LEU  34 -11.764  13.007   0.575
  262   1HB   LEU  34          1HB       LEU  34 -11.449  10.494   2.058
  263   2HB   LEU  34          2HB       LEU  34 -12.423  11.699   2.880
  264    HG   LEU  34           HG       LEU  34 -13.253  11.550   0.148
  265   1HD1  LEU  34          1HD1      LEU  34 -12.702   9.392  -0.245
  266   2HD1  LEU  34          2HD1      LEU  34 -12.662   8.971   1.467
  267   3HD1  LEU  34          3HD1      LEU  34 -14.207   9.106   0.629
  268   1HD2  LEU  34          1HD2      LEU  34 -14.371  12.014   2.578
  269   2HD2  LEU  34          2HD2      LEU  34 -15.280  11.708   1.098
  270   3HD2  LEU  34          3HD2      LEU  34 -14.966  10.392   2.229
  271    H    VAL  35           H        VAL  35  -9.899  14.613   1.039
  272    HA   VAL  35           HA       VAL  35 -10.123  15.396   3.865
  273    HB   VAL  35           HB       VAL  35  -7.795  16.485   3.479
  274   1HG1  VAL  35          1HG1      VAL  35  -8.184  14.739   5.111
  275   2HG1  VAL  35          2HG1      VAL  35  -8.090  13.507   3.853
  276   3HG1  VAL  35          3HG1      VAL  35  -6.660  14.450   4.274
  277   1HG2  VAL  35          1HG2      VAL  35  -6.611  14.522   1.966
  278   2HG2  VAL  35          2HG2      VAL  35  -8.106  14.848   1.088
  279   3HG2  VAL  35          3HG2      VAL  35  -6.975  16.160   1.426
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1  14.500 -12.471   5.035
    2   2H    GLY   1          2H        GLY   1  14.336 -13.958   4.227
    3   3H    GLY   1          3H        GLY   1  12.975 -13.211   4.914
    4   1HA   GLY   1          2HA       GLY   1  14.417 -12.572   2.449
    5   2HA   GLY   1          1HA       GLY   1  12.685 -12.655   2.739
    6    H    SER   2           H        SER   2  14.552 -10.558   1.602
    7    HA   SER   2           HA       SER   2  14.039  -8.354   3.457
    8   1HB   SER   2          1HB       SER   2  15.385  -7.561   1.034
    9   2HB   SER   2          2HB       SER   2  15.982  -7.531   2.695
   10    HG   SER   2           HG       SER   2  16.077  -9.675   0.839
   11    H    THR   3           H        THR   3  11.749  -9.352   2.388
   12    HA   THR   3           HA       THR   3  11.022  -7.594   0.167
   13    HB   THR   3           HB       THR   3   9.092  -9.537   1.364
   14    HG1  THR   3           1HG      THR   3  11.301 -10.207  -0.330
   15   1HG2  THR   3          1HG2      THR   3   9.320  -9.537  -1.496
   16   2HG2  THR   3          2HG2      THR   3   9.194  -7.877  -0.906
   17   3HG2  THR   3          3HG2      THR   3   7.953  -9.062  -0.489
   18    H    GLY   4           H        GLY   4  11.201  -5.730   1.566
   19   1HA   GLY   4          1HA       GLY   4   9.185  -5.442   3.651
   20   2HA   GLY   4          2HA       GLY   4  10.426  -4.269   3.229
   21    H    ILE   5           H        ILE   5   9.886  -4.317   0.405
   22    HA   ILE   5           HA       ILE   5   7.704  -2.452   0.336
   23    HB   ILE   5           HB       ILE   5   9.825  -3.333  -1.502
   24   1HG1  ILE   5          2HG1      ILE   5  10.134  -1.076  -1.836
   25   2HG1  ILE   5          1HG1      ILE   5   8.423  -0.702  -1.668
   26   1HG2  ILE   5          1HG2      ILE   5   8.096  -4.057  -2.939
   27   2HG2  ILE   5          2HG2      ILE   5   7.113  -2.635  -2.591
   28   3HG2  ILE   5          3HG2      ILE   5   8.602  -2.472  -3.521
   29   1HD1  ILE   5          1HD1      ILE   5  10.064   0.068   0.156
   30   2HD1  ILE   5          2HD1      ILE   5   8.535  -0.666   0.644
   31   3HD1  ILE   5          3HD1      ILE   5  10.021  -1.615   0.686
   32    H    LYS   6           H        LYS   6   5.687  -2.763  -0.423
   33    HA   LYS   6           HA       LYS   6   4.898  -5.559  -0.879
   34   1HB   LYS   6          1HB       LYS   6   3.233  -3.203   0.034
   35   2HB   LYS   6          2HB       LYS   6   2.684  -4.869  -0.116
   36   1HG   LYS   6          1HG       LYS   6   5.023  -4.332   1.621
   37   2HG   LYS   6          2HG       LYS   6   3.424  -3.855   2.193
   38   1HD   LYS   6          1HD       LYS   6   2.824  -5.970   2.590
   39   2HD   LYS   6          2HD       LYS   6   3.463  -6.524   1.039
   40   1HE   LYS   6          2HE       LYS   6   4.851  -7.636   2.474
   41   2HE   LYS   6          1HE       LYS   6   5.769  -6.152   2.222
   42   1HZ   LYS   6          1HZ       LYS   6   4.546  -5.320   4.285
   43   2HZ   LYS   6          2HZ       LYS   6   5.784  -6.457   4.511
   44   3HZ   LYS   6          3HZ       LYS   6   4.159  -6.947   4.569
   45    HA   PRO   7           HA       PRO   7   3.374  -4.559  -4.947
   46   1HB   PRO   7          1HB       PRO   7   1.044  -6.192  -4.668
   47   2HB   PRO   7          2HB       PRO   7   2.523  -6.558  -5.550
   48   1HG   PRO   7          1HG       PRO   7   1.648  -7.821  -3.229
   49   2HG   PRO   7          2HG       PRO   7   3.280  -7.903  -3.904
   50   1HD   PRO   7          1HD       PRO   7   2.265  -6.359  -1.598
   51   2HD   PRO   7          2HD       PRO   7   3.905  -6.940  -1.941
   52    H    PHE   8           H        PHE   8   1.399  -4.474  -2.094
   53    HA   PHE   8           HA       PHE   8  -0.492  -2.607  -3.306
   54   1HB   PHE   8          1HB       PHE   8  -0.488  -3.771  -0.516
   55   2HB   PHE   8          2HB       PHE   8  -1.773  -2.819  -1.244
   56    HD1  PHE   8           1HD      PHE   8  -2.824  -5.006  -0.149
   57    HD2  PHE   8           2HD      PHE   8  -0.638  -4.898  -3.788
   58    HE1  PHE   8           1HE      PHE   8  -3.917  -7.092  -0.855
   59    HE2  PHE   8           2HE      PHE   8  -1.726  -6.979  -4.511
   60    HZ   PHE   8           HZ       PHE   8  -3.371  -8.083  -3.046
   61    H    GLN   9           H        GLN   9   1.882  -1.504  -3.332
   62    HA   GLN   9           HA       GLN   9   2.491  -0.083  -0.910
   63   1HB   GLN   9          1HB       GLN   9   4.176  -0.759  -2.691
   64   2HB   GLN   9          2HB       GLN   9   3.508   0.518  -3.697
   65   1HG   GLN   9          1HG       GLN   9   5.114   1.764  -2.784
   66   2HG   GLN   9          2HG       GLN   9   4.002   1.878  -1.421
   67   1HE2  GLN   9          1HE2      GLN   9   6.352   2.338  -0.604
   68   2HE2  GLN   9          2HE2      GLN   9   7.133   0.973   0.117
   69    H    CYS  10           H        CYS  10   1.680   1.808  -0.301
   70    HA   CYS  10           HA       CYS  10  -0.457   3.036  -1.721
   71   1HB   CYS  10          1HB       CYS  10  -0.471   3.174   0.677
   72   2HB   CYS  10          2HB       CYS  10   1.135   3.890   0.705
   73    H    THR  11           H        THR  11  -0.385   4.574  -3.218
   74    HA   THR  11           HA       THR  11   2.192   5.440  -4.151
   75    HB   THR  11           HB       THR  11   0.293   6.672  -5.750
   76    HG1  THR  11           1HG      THR  11  -1.450   5.423  -5.823
   77   1HG2  THR  11          1HG2      THR  11   2.163   5.547  -6.675
   78   2HG2  THR  11          2HG2      THR  11   0.744   4.680  -7.261
   79   3HG2  THR  11          3HG2      THR  11   1.701   4.012  -5.938
   80    H    TRP  12           H        TRP  12   0.720   6.633  -1.638
   81    HA   TRP  12           HA       TRP  12   0.417   9.400  -2.414
   82   1HB   TRP  12          1HB       TRP  12  -0.550   7.947  -0.324
   83   2HB   TRP  12          2HB       TRP  12   0.800   8.783   0.444
   84    HD1  TRP  12           HD       TRP  12   0.433  11.243   1.107
   85    HE1  TRP  12           1HE      TRP  12  -1.473  12.950   0.807
   86    HE3  TRP  12           3HE      TRP  12  -2.522   8.586  -2.097
   87    HZ2  TRP  12           2HZ      TRP  12  -3.917  13.133  -0.605
   88    HZ3  TRP  12           3HZ      TRP  12  -4.628   9.582  -2.872
   89    HH2  TRP  12           HH       TRP  12  -5.313  11.813  -2.136
   90    HA   PRO  13           HA       PRO  13   4.713  10.233  -2.596
   91   1HB   PRO  13          1HB       PRO  13   3.883  13.021  -1.989
   92   2HB   PRO  13          2HB       PRO  13   4.834  12.395  -3.340
   93   1HG   PRO  13          1HG       PRO  13   2.299  13.120  -3.692
   94   2HG   PRO  13          2HG       PRO  13   2.956  11.688  -4.509
   95   1HD   PRO  13          1HD       PRO  13   1.172  11.863  -2.119
   96   2HD   PRO  13          2HD       PRO  13   1.162  10.693  -3.455
   97    H    ASP  14           H        ASP  14   3.097  12.187  -0.092
   98    HA   ASP  14           HA       ASP  14   5.452  12.298   1.529
   99   1HB   ASP  14          1HB       ASP  14   3.844  14.141   1.499
  100   2HB   ASP  14          2HB       ASP  14   2.590  13.083   2.137
  101    H    CYS  15           H        CYS  15   2.979  10.029   1.146
  102    HA   CYS  15           HA       CYS  15   3.240   8.959   3.843
  103   1HB   CYS  15          1HB       CYS  15   0.998   9.139   2.980
  104   2HB   CYS  15          2HB       CYS  15   1.439   8.272   1.517
  105    H    ASP  16           H        ASP  16   2.957   7.274   0.745
  106    HA   ASP  16           HA       ASP  16   4.036   5.518  -0.173
  107   1HB   ASP  16          1HB       ASP  16   6.027   7.194   0.176
  108   2HB   ASP  16          2HB       ASP  16   6.512   6.019   1.390
  109    H    ARG  17           H        ARG  17   2.450   4.514   1.339
  110    HA   ARG  17           HA       ARG  17   3.721   2.997   3.493
  111   1HB   ARG  17          1HB       ARG  17   1.045   3.999   2.946
  112   2HB   ARG  17          2HB       ARG  17   1.017   2.288   3.361
  113   1HG   ARG  17          1HG       ARG  17   0.732   3.908   5.261
  114   2HG   ARG  17          2HG       ARG  17   1.988   2.684   5.466
  115   1HD   ARG  17          1HD       ARG  17   3.331   4.743   4.246
  116   2HD   ARG  17          2HD       ARG  17   2.198   5.590   5.298
  117    HE   ARG  17           HE       ARG  17   3.277   3.656   6.893
  118   1HH1  ARG  17          2HH1      ARG  17   4.606   6.223   4.910
  119   2HH1  ARG  17          1HH1      ARG  17   5.974   6.493   5.943
  120   1HH2  ARG  17          2HH2      ARG  17   5.107   3.987   8.247
  121   2HH2  ARG  17          1HH2      ARG  17   6.266   5.221   7.836
  122    H    SER  18           H        SER  18   2.925   0.621   3.600
  123    HA   SER  18           HA       SER  18   2.551  -0.504   0.932
  124   1HB   SER  18          1HB       SER  18   4.380  -2.256   1.852
  125   2HB   SER  18          2HB       SER  18   4.784  -0.881   0.837
  126    HG   SER  18           HG       SER  18   5.217   0.301   2.781
  127    H    PHE  19           H        PHE  19   1.072  -2.037   0.959
  128    HA   PHE  19           HA       PHE  19   0.407  -3.197   3.586
  129   1HB   PHE  19          1HB       PHE  19  -1.363  -2.254   1.340
  130   2HB   PHE  19          2HB       PHE  19  -1.950  -3.314   2.617
  131    HD1  PHE  19           1HD      PHE  19  -0.463   0.000   1.955
  132    HD2  PHE  19           2HD      PHE  19  -2.597  -2.466   4.687
  133    HE1  PHE  19           1HE      PHE  19  -0.910   1.965   3.347
  134    HE2  PHE  19           2HE      PHE  19  -3.035  -0.512   6.113
  135    HZ   PHE  19           HZ       PHE  19  -2.197   1.721   5.439
  136    H    SER  20           H        SER  20  -0.505  -5.246   3.653
  137    HA   SER  20           HA       SER  20  -0.010  -6.945   1.297
  138   1HB   SER  20          1HB       SER  20  -0.647  -8.614   3.431
  139   2HB   SER  20          2HB       SER  20   0.982  -8.260   2.850
  140    HG   SER  20           HG       SER  20   1.293  -7.401   4.739
  141    H    ARG  21           H        ARG  21  -2.299  -5.392   3.180
  142    HA   ARG  21           HA       ARG  21  -4.519  -7.150   2.438
  143   1HB   ARG  21          1HB       ARG  21  -4.955  -4.784   4.189
  144   2HB   ARG  21          2HB       ARG  21  -5.662  -6.390   4.276
  145   1HG   ARG  21          1HG       ARG  21  -4.343  -6.390   6.144
  146   2HG   ARG  21          2HG       ARG  21  -3.240  -7.088   4.962
  147   1HD   ARG  21          1HD       ARG  21  -1.886  -5.301   4.988
  148   2HD   ARG  21          2HD       ARG  21  -3.209  -4.154   5.146
  149    HE   ARG  21           HE       ARG  21  -2.945  -4.197   7.422
  150   1HH1  ARG  21          2HH1      ARG  21  -1.109  -6.843   6.005
  151   2HH1  ARG  21          1HH1      ARG  21  -0.288  -7.228   7.486
  152   1HH2  ARG  21          2HH2      ARG  21  -1.888  -4.737   9.364
  153   2HH2  ARG  21          1HH2      ARG  21  -0.719  -6.024   9.390
  154    H    SER  22           H        SER  22  -5.724  -6.651   0.776
  155    HA   SER  22           HA       SER  22  -5.350  -4.239  -0.668
  156   1HB   SER  22          1HB       SER  22  -7.649  -5.539  -1.649
  157   2HB   SER  22          2HB       SER  22  -6.005  -5.648  -2.278
  158    HG   SER  22           HG       SER  22  -7.281  -7.637  -1.445
  159    H    ASP  23           H        ASP  23  -7.790  -5.329   1.616
  160    HA   ASP  23           HA       ASP  23  -9.602  -3.151   0.918
  161   1HB   ASP  23          1HB       ASP  23 -10.460  -5.404   1.596
  162   2HB   ASP  23          2HB       ASP  23  -9.813  -5.117   3.205
  163    H    HIS  24           H        HIS  24  -6.864  -3.517   2.721
  164    HA   HIS  24           HA       HIS  24  -7.724  -1.531   4.676
  165   1HB   HIS  24          1HB       HIS  24  -5.748  -3.618   4.753
  166   2HB   HIS  24          2HB       HIS  24  -5.015  -2.063   5.156
  167    HD1  HIS  24           1HD      HIS  24  -4.887  -3.310   7.636
  168    HD2  HIS  24           2HD      HIS  24  -8.604  -2.072   6.246
  169    HE1  HIS  24           1HE      HIS  24  -6.385  -3.287   9.653
  170    HE2  HIS  24           2HE      HIS  24  -8.657  -2.625   8.779
  171    H    LEU  25           H        LEU  25  -5.279  -1.945   2.174
  172    HA   LEU  25           HA       LEU  25  -4.305   0.735   2.360
  173   1HB   LEU  25          1HB       LEU  25  -2.743  -0.623   1.401
  174   2HB   LEU  25          2HB       LEU  25  -3.942  -1.619   0.601
  175    HG   LEU  25           HG       LEU  25  -4.209   0.718  -0.767
  176   1HD1  LEU  25          1HD1      LEU  25  -1.253   0.423  -0.387
  177   2HD1  LEU  25          2HD1      LEU  25  -2.149   1.742  -1.141
  178   3HD1  LEU  25          3HD1      LEU  25  -2.214   1.519   0.607
  179   1HD2  LEU  25          1HD2      LEU  25  -3.925  -0.807  -2.350
  180   2HD2  LEU  25          2HD2      LEU  25  -2.187  -0.728  -2.081
  181   3HD2  LEU  25          3HD2      LEU  25  -3.160  -1.908  -1.204
  182    H    ALA  26           H        ALA  26  -6.957  -0.820   0.695
  183    HA   ALA  26           HA       ALA  26  -7.354   1.243  -1.247
  184   1HB   ALA  26          1HB       ALA  26  -8.999  -1.037  -0.225
  185   2HB   ALA  26          2HB       ALA  26  -9.758   0.218  -1.208
  186   3HB   ALA  26          3HB       ALA  26  -8.412  -0.719  -1.858
  187    H    LEU  27           H        LEU  27  -8.653   0.592   1.990
  188    HA   LEU  27           HA       LEU  27 -10.312   2.942   1.931
  189   1HB   LEU  27          1HB       LEU  27 -11.217   2.237   3.884
  190   2HB   LEU  27          2HB       LEU  27 -10.596   0.707   3.310
  191    HG   LEU  27           HG       LEU  27  -8.489   1.501   4.790
  192   1HD1  LEU  27          1HD1      LEU  27  -8.955   2.907   6.492
  193   2HD1  LEU  27          2HD1      LEU  27 -10.191   3.508   5.387
  194   3HD1  LEU  27          3HD1      LEU  27 -10.619   2.345   6.643
  195   1HD2  LEU  27          1HD2      LEU  27  -9.925  -0.595   4.872
  196   2HD2  LEU  27          2HD2      LEU  27  -9.180  -0.073   6.383
  197   3HD2  LEU  27          3HD2      LEU  27 -10.890   0.248   6.085
  198    H    HIS  28           H        HIS  28  -7.187   2.024   3.212
  199    HA   HIS  28           HA       HIS  28  -6.595   4.316   4.709
  200   1HB   HIS  28          1HB       HIS  28  -5.107   2.557   5.014
  201   2HB   HIS  28          2HB       HIS  28  -4.983   2.237   3.294
  202    HD1  HIS  28           1HD      HIS  28  -3.476   4.279   6.027
  203    HD2  HIS  28           2HD      HIS  28  -3.120   3.817   1.919
  204    HE1  HIS  28           1HE      HIS  28  -1.337   5.442   5.347
  205    H    ARG  29           H        ARG  29  -6.394   3.622   1.281
  206    HA   ARG  29           HA       ARG  29  -5.015   6.055   0.649
  207   1HB   ARG  29          1HB       ARG  29  -6.044   3.703  -0.854
  208   2HB   ARG  29          2HB       ARG  29  -5.791   5.202  -1.755
  209   1HG   ARG  29          1HG       ARG  29  -3.474   5.058  -0.357
  210   2HG   ARG  29          2HG       ARG  29  -3.835   3.346  -0.589
  211   1HD   ARG  29          1HD       ARG  29  -2.581   3.880  -2.466
  212   2HD   ARG  29          2HD       ARG  29  -4.240   3.992  -3.047
  213    HE   ARG  29           HE       ARG  29  -2.602   6.339  -2.302
  214   1HH1  ARG  29          2HH1      ARG  29  -5.094   4.803  -4.232
  215   2HH1  ARG  29          1HH1      ARG  29  -5.216   6.123  -5.355
  216   1HH2  ARG  29          2HH2      ARG  29  -2.767   8.093  -3.806
  217   2HH2  ARG  29          1HH2      ARG  29  -3.926   7.996  -5.100
  218    H    LYS  30           H        LYS  30  -8.377   5.017   0.668
  219    HA   LYS  30           HA       LYS  30  -9.281   7.323  -0.786
  220   1HB   LYS  30          1HB       LYS  30 -11.189   6.180  -0.907
  221   2HB   LYS  30          2HB       LYS  30 -10.396   4.886  -0.025
  222   1HG   LYS  30          1HG       LYS  30 -11.297   6.800   1.866
  223   2HG   LYS  30          2HG       LYS  30 -12.621   6.451   0.750
  224   1HD   LYS  30          1HD       LYS  30 -11.341   4.004   1.357
  225   2HD   LYS  30          2HD       LYS  30 -11.607   4.853   2.880
  226   1HE   LYS  30          2HE       LYS  30 -13.614   3.795   2.706
  227   2HE   LYS  30          1HE       LYS  30 -13.996   5.262   1.809
  228   1HZ   LYS  30          1HZ       LYS  30 -12.970   2.848   0.447
  229   2HZ   LYS  30          2HZ       LYS  30 -13.812   4.162  -0.217
  230   3HZ   LYS  30          3HZ       LYS  30 -14.624   3.047   0.772
  231    H    ARG  31           H        ARG  31  -8.664   6.483   2.524
  232    HA   ARG  31           HA       ARG  31  -9.993   8.690   3.727
  233   1HB   ARG  31          1HB       ARG  31  -7.889   6.749   4.614
  234   2HB   ARG  31          2HB       ARG  31  -8.259   8.155   5.604
  235   1HG   ARG  31          1HG       ARG  31 -10.492   6.424   4.675
  236   2HG   ARG  31          2HG       ARG  31  -9.467   5.871   6.002
  237   1HD   ARG  31          1HD       ARG  31 -10.814   8.563   5.946
  238   2HD   ARG  31          2HD       ARG  31 -11.538   7.132   6.679
  239    HE   ARG  31           HE       ARG  31  -9.208   8.613   7.649
  240   1HH1  ARG  31          2HH1      ARG  31 -11.476   5.970   8.028
  241   2HH1  ARG  31          1HH1      ARG  31 -11.035   5.660   9.684
  242   1HH2  ARG  31          2HH2      ARG  31  -8.662   8.251   9.844
  243   2HH2  ARG  31          1HH2      ARG  31  -9.446   6.961  10.720
  244    H    HIS  32           H        HIS  32  -7.049   8.340   2.016
  245    HA   HIS  32           HA       HIS  32  -5.537  10.469   3.084
  246   1HB   HIS  32          1HB       HIS  32  -5.544   8.827   0.618
  247   2HB   HIS  32          2HB       HIS  32  -4.735  10.377   0.522
  248    HD1  HIS  32           1HD      HIS  32  -3.050  10.604   2.944
  249    HD2  HIS  32           2HD      HIS  32  -3.759   6.968   1.057
  250    HE1  HIS  32           1HE      HIS  32  -1.128   9.074   3.570
  251    H    MET  33           H        MET  33  -8.142  10.275   0.791
  252    HA   MET  33           HA       MET  33  -7.698  12.849  -0.362
  253   1HB   MET  33          1HB       MET  33 -10.362  11.528  -0.525
  254   2HB   MET  33          2HB       MET  33  -9.454  12.379  -1.766
  255   1HG   MET  33          1HG       MET  33  -7.829  10.282  -1.372
  256   2HG   MET  33          2HG       MET  33  -9.375   9.554  -0.954
  257   1HE   MET  33          1HE       MET  33  -7.335   8.784  -2.954
  258   2HE   MET  33          2HE       MET  33  -8.661   7.876  -3.677
  259   3HE   MET  33          3HE       MET  33  -7.718   8.998  -4.661
  260    H    LEU  34           H        LEU  34  -8.864  11.889   2.584
  261    HA   LEU  34           HA       LEU  34 -10.567  14.270   2.868
  262   1HB   LEU  34          1HB       LEU  34 -10.245  12.116   4.942
  263   2HB   LEU  34          2HB       LEU  34 -11.548  13.276   4.771
  264    HG   LEU  34           HG       LEU  34 -11.129  11.255   2.614
  265   1HD1  LEU  34          1HD1      LEU  34 -11.304  10.397   5.195
  266   2HD1  LEU  34          2HD1      LEU  34 -13.003  10.458   4.718
  267   3HD1  LEU  34          3HD1      LEU  34 -11.859   9.490   3.786
  268   1HD2  LEU  34          1HD2      LEU  34 -13.131  11.956   1.928
  269   2HD2  LEU  34          2HD2      LEU  34 -13.814  11.852   3.551
  270   3HD2  LEU  34          3HD2      LEU  34 -12.928  13.296   3.057
  271    H    VAL  35           H        VAL  35  -7.679  14.305   2.696
  272    HA   VAL  35           HA       VAL  35  -7.035  15.334   5.380
  273    HB   VAL  35           HB       VAL  35  -5.130  14.106   3.372
  274   1HG1  VAL  35          1HG1      VAL  35  -4.287  16.031   4.842
  275   2HG1  VAL  35          2HG1      VAL  35  -4.444  14.896   6.184
  276   3HG1  VAL  35          3HG1      VAL  35  -3.363  14.528   4.838
  277   1HG2  VAL  35          1HG2      VAL  35  -5.252  12.156   4.482
  278   2HG2  VAL  35          2HG2      VAL  35  -5.376  12.944   6.056
  279   3HG2  VAL  35          3HG2      VAL  35  -6.807  12.774   5.040