*HEADER    LIGASE                                  13-OCT-04   1WR7              
*TITLE     SOLUTION STRUCTURE OF THE THIRD WW DOMAIN OF NEDD4-2                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEDD4-2;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: THIRD WW DOMAIN;                                           
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-4T2                                  
*KEYWDS    ALL-BETA                                                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.KOWALSKI, A.L.MERKEL, G.W.BOOKER                                    
*REVDAT   1   25-OCT-05 1WR7    0                                                


 ASSI {    4}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 5    and name HN  ))
       3.000     1.100     1.100 peak     4 spectrum    1 weight   .10000E+01 volume   .10279E-02 ppm1      4.099 ppm2      7.925 CV     1
  ASSI {    5}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 6    and name HN  ))
       2.200      .600      .600 peak     5 spectrum    1 weight   .10000E+01 volume   .74475E-02 ppm1      4.099 ppm2      8.424 CV     1
  ASSI {    6}
    (( segid "    " and resid 5    and name HG12))
    (( segid "    " and resid 5    and name HN  ))
       2.900     1.100     1.100 peak     6 spectrum    1 weight   .10000E+01 volume   .12174E-02 ppm1      1.380 ppm2      7.926 CV     1
  ASSI {    7}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 5    and name HN  ))
       2.700      .900      .900 peak     7 spectrum    1 weight   .10000E+01 volume   .19886E-02 ppm1       .819 ppm2      7.926 CV     1
  ASSI {    8}
    (  segid "    " and resid 5    and name HG2%)
    (( segid "    " and resid 6    and name HN  ))
       2.800     1.000     1.000 peak     8 spectrum    1 weight   .10000E+01 volume   .15959E-02 ppm1       .820 ppm2      8.426 CV     1
  ASSI {    9}
    (( segid "    " and resid 5    and name HN  ))
    (( segid "    " and resid 6    and name HN  ))
       2.900     1.000     1.000 peak     9 spectrum    1 weight   .10000E+01 volume   .13695E-02 ppm1      7.922 ppm2      8.422 CV     1
  ASSI {   10}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 6    and name HN  ))
       2.800     1.000     1.000 peak    10 spectrum    1 weight   .10000E+01 volume   .17045E-02 ppm1      4.296 ppm2      8.421 CV     1
  ASSI {   11}
    (( segid "    " and resid 6    and name HA  ))
    (( segid "    " and resid 7    and name HN  ))
       2.400      .700      .700 peak    11 spectrum    1 weight   .10000E+01 volume   .37674E-02 ppm1      4.296 ppm2      8.090 CV     1
  ASSI {   12}
    (( segid "    " and resid 6    and name HB2 ))
    (( segid "    " and resid 6    and name HN  ))
       2.800      .900      .900 peak    12 spectrum    1 weight   .10000E+01 volume   .17415E-02 ppm1      1.938 ppm2      8.426 CV     1
  ASSI {   13}
    (( segid "    " and resid 6    and name HB2 ))
    (( segid "    " and resid 7    and name HN  ))
       3.100     1.200     1.200 peak    13 spectrum    1 weight   .10000E+01 volume   .93424E-03 ppm1      1.938 ppm2      8.088 CV     1
  ASSI {   14}
    (( segid "    " and resid 6    and name HB3 ))
    (( segid "    " and resid 6    and name HN  ))
       2.600      .800      .800 peak    14 spectrum    1 weight   .10000E+01 volume   .27203E-02 ppm1      1.847 ppm2      8.426 CV     1
  ASSI {   15}
    (( segid "    " and resid 6    and name HB3 ))
    (( segid "    " and resid 7    and name HN  ))
       3.200     1.300     1.300 peak    15 spectrum    1 weight   .10000E+01 volume   .74333E-03 ppm1      1.849 ppm2      8.091 CV     1
  ASSI {   16}
    (( segid "    " and resid 6    and name HE22))
    (( segid "    " and resid 6    and name HE21))
       1.500      .300      .700 peak    16 spectrum    1 weight   .10000E+01 volume   .57053E-01 ppm1      6.827 ppm2      7.400 CV     1
  ASSI {   17}
    (( segid "    " and resid 6    and name HG2 ))
    (( segid "    " and resid 6    and name HE21))
       2.600      .900      .900 peak    17 spectrum    1 weight   .10000E+01 volume   .22751E-02 ppm1      2.225 ppm2      7.400 CV     1
  OR {   17}
    (( segid "    " and resid 6    and name HG3 ))
    (( segid "    " and resid 6    and name HE21))
  ASSI {   18}
    (( segid "    " and resid 6    and name HG2 ))
    (( segid "    " and resid 6    and name HE22))
       3.000     1.100     1.100 peak    18 spectrum    1 weight   .10000E+01 volume   .97882E-03 ppm1      2.228 ppm2      6.827 CV     1
  OR {   18}
    (( segid "    " and resid 6    and name HG3 ))
    (( segid "    " and resid 6    and name HE22))
  ASSI {   19}
    (( segid "    " and resid 6    and name HG2 ))
    (( segid "    " and resid 6    and name HN  ))
       2.700      .900      .900 peak    19 spectrum    1 weight   .10000E+01 volume   .18051E-02 ppm1      2.225 ppm2      8.424 CV     1
  OR {   19}
    (( segid "    " and resid 6    and name HG3 ))
    (( segid "    " and resid 6    and name HN  ))
  ASSI {   20}
    (( segid "    " and resid 6    and name HG3 ))
    (( segid "    " and resid 7    and name HN  ))
       3.300     1.400     1.400 peak    20 spectrum    1 weight   .10000E+01 volume   .58951E-03 ppm1      2.225 ppm2      8.095 CV     1
  OR {   20}
    (( segid "    " and resid 6    and name HG2 ))
    (( segid "    " and resid 7    and name HN  ))
  ASSI {   21}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 7    and name HN  ))
       2.500      .800      .800 peak    21 spectrum    1 weight   .10000E+01 volume   .29247E-02 ppm1      4.322 ppm2      8.090 CV     1
  ASSI {   22}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       2.300      .700      .700 peak    22 spectrum    1 weight   .10000E+01 volume   .51114E-02 ppm1      4.323 ppm2      7.999 CV     1
  ASSI {   23}
    (( segid "    " and resid 7    and name HB3 ))
    (( segid "    " and resid 7    and name HN  ))
       2.400      .700      .700 peak    23 spectrum    1 weight   .10000E+01 volume   .36243E-02 ppm1      3.681 ppm2      8.091 CV     1
  OR {   23}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 7    and name HN  ))
  ASSI {   24}
    (( segid "    " and resid 7    and name HB2 ))
    (( segid "    " and resid 8    and name HN  ))
       2.500      .800      .800 peak    24 spectrum    1 weight   .10000E+01 volume   .30795E-02 ppm1      3.681 ppm2      7.999 CV     1
  OR {   24}
    (( segid "    " and resid 7    and name HB3 ))
    (( segid "    " and resid 8    and name HN  ))
  ASSI {   25}
    (( segid "    " and resid 7    and name HN  ))
    (( segid "    " and resid 6    and name HN  ))
       3.000     1.200     1.200 peak    25 spectrum    1 weight   .10000E+01 volume   .94701E-03 ppm1      8.089 ppm2      8.422 CV     1
  ASSI {   26}
    (( segid "    " and resid 8    and name HA  ))
    (  segid "    " and resid 8    and name HD% )
       3.100     1.200     1.200 peak    26 spectrum    1 weight   .10000E+01 volume   .91740E-03 ppm1      4.595 ppm2      7.216 CV     1
  ASSI {   27}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       3.000     1.100     1.100 peak    27 spectrum    1 weight   .10000E+01 volume   .10673E-02 ppm1      4.592 ppm2      8.001 CV     1
  ASSI {   28}
    (( segid "    " and resid 8    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       2.700      .900      .900 peak    28 spectrum    1 weight   .10000E+01 volume   .19383E-02 ppm1      4.590 ppm2      8.432 CV     1
  ASSI {   29}
    (( segid "    " and resid 8    and name HB2 ))
    (  segid "    " and resid 8    and name HD% )
       2.500      .800      .800 peak    29 spectrum    1 weight   .10000E+01 volume   .32987E-02 ppm1      3.153 ppm2      7.216 CV     1
  ASSI {   30}
    (( segid "    " and resid 8    and name HB2 ))
    (( segid "    " and resid 8    and name HN  ))
       2.700      .900      .900 peak    30 spectrum    1 weight   .10000E+01 volume   .20390E-02 ppm1      3.151 ppm2      7.998 CV     1
  ASSI {   31}
    (( segid "    " and resid 8    and name HB2 ))
    (( segid "    " and resid 9    and name HN  ))
       2.700      .900      .900 peak    31 spectrum    1 weight   .10000E+01 volume   .20559E-02 ppm1      3.151 ppm2      8.433 CV     1
  ASSI {   32}
    (( segid "    " and resid 8    and name HB3 ))
    (  segid "    " and resid 8    and name HD% )
       2.400      .700      .700 peak    32 spectrum    1 weight   .10000E+01 volume   .39061E-02 ppm1      2.913 ppm2      7.217 CV     1
  ASSI {   33}
    (( segid "    " and resid 8    and name HB3 ))
    (  segid "    " and resid 8    and name HE% )
       3.300     1.300     1.300 peak    33 spectrum    1 weight   .10000E+01 volume   .60982E-03 ppm1      2.914 ppm2      7.274 CV     1
  ASSI {   34}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 8    and name HN  ))
       2.500      .800      .800 peak    34 spectrum    1 weight   .10000E+01 volume   .32299E-02 ppm1      2.912 ppm2      7.999 CV     1
  ASSI {   35}
    (( segid "    " and resid 8    and name HB3 ))
    (( segid "    " and resid 9    and name HN  ))
       2.800      .900      .900 peak    35 spectrum    1 weight   .10000E+01 volume   .17472E-02 ppm1      2.917 ppm2      8.433 CV     1
  ASSI {   36}
    (  segid "    " and resid 8    and name HD% )
    (( segid "    " and resid 8    and name HN  ))
       2.600      .900      .900 peak    36 spectrum    1 weight   .10000E+01 volume   .22500E-02 ppm1      7.212 ppm2      8.000 CV     1
  ASSI {   37}
    (  segid "    " and resid 8    and name HD% )
    (( segid "    " and resid 9    and name HN  ))
       3.100     1.200     1.200 peak    37 spectrum    1 weight   .10000E+01 volume   .78958E-03 ppm1      7.211 ppm2      8.432 CV     1
  ASSI {   38}
    (( segid "    " and resid 8    and name HN  ))
    (( segid "    " and resid 9    and name HN  ))
       2.800     1.000     1.000 peak    38 spectrum    1 weight   .10000E+01 volume   .14399E-02 ppm1      8.000 ppm2      8.431 CV     1
  ASSI {   39}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       3.000     1.100     1.100 peak    39 spectrum    1 weight   .10000E+01 volume   .11287E-02 ppm1      4.219 ppm2      8.432 CV     1
  ASSI {   40}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 9    and name HN  ))
       2.400      .700      .700 peak    40 spectrum    1 weight   .10000E+01 volume   .39808E-02 ppm1      1.711 ppm2      8.434 CV     1
  ASSI {   41}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 13   and name HD1 ))
       2.200      .600      .600 peak    41 spectrum    1 weight   .10000E+01 volume   .58475E-02 ppm1      1.718 ppm2      7.031 CV     1
  ASSI {   42}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 13   and name HE1 ))
       2.900     1.000     1.000 peak    42 spectrum    1 weight   .10000E+01 volume   .13245E-02 ppm1      1.718 ppm2     10.267 CV     1
  ASSI {   43}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 13   and name HN  ))
       3.200     1.300     1.300 peak    43 spectrum    1 weight   .10000E+01 volume   .65140E-03 ppm1      1.711 ppm2      7.823 CV     1
  ASSI {   44}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 9    and name HN  ))
       2.600      .900      .900 peak    44 spectrum    1 weight   .10000E+01 volume   .23712E-02 ppm1      1.381 ppm2      8.431 CV     1
  ASSI {   45}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 13   and name HD1 ))
       3.300     1.300     1.300 peak    45 spectrum    1 weight   .10000E+01 volume   .62481E-03 ppm1      1.380 ppm2      7.030 CV     1
  ASSI {   46}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 13   and name HN  ))
       3.400     1.400     1.400 peak    46 spectrum    1 weight   .10000E+01 volume   .50497E-03 ppm1      1.381 ppm2      7.825 CV     1
  ASSI {   47}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 9    and name HN  ))
       2.600      .900      .900 peak    47 spectrum    1 weight   .10000E+01 volume   .23165E-02 ppm1      1.019 ppm2      8.433 CV     1
  ASSI {   48}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 13   and name HE3 ))
       3.000     1.100     1.100 peak    48 spectrum    1 weight   .10000E+01 volume   .11233E-02 ppm1      1.020 ppm2      7.280 CV     1
  ASSI {   49}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 13   and name HN  ))
       3.400     1.400     1.400 peak    49 spectrum    1 weight   .10000E+01 volume   .48822E-03 ppm1      1.020 ppm2      7.825 CV     1
  ASSI {   50}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 14   and name HN  ))
       3.400     1.400     1.400 peak    50 spectrum    1 weight   .10000E+01 volume   .49175E-03 ppm1      1.021 ppm2      9.329 CV     1
  ASSI {   51}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 15   and name HN  ))
       2.500      .800      .800 peak    51 spectrum    1 weight   .10000E+01 volume   .28823E-02 ppm1      1.019 ppm2      8.891 CV     1
  ASSI {   52}
    (  segid "    " and resid 9    and name HD1%)
    (  segid "    " and resid 25   and name HD% )
       2.400      .700      .700 peak    52 spectrum    1 weight   .10000E+01 volume   .40652E-02 ppm1      1.021 ppm2      7.029 CV     1
  ASSI {   53}
    (  segid "    " and resid 9    and name HD1%)
    (  segid "    " and resid 25   and name HE% )
       2.600      .800      .800 peak    53 spectrum    1 weight   .10000E+01 volume   .27369E-02 ppm1      1.021 ppm2      7.195 CV     1
  ASSI {   54}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 25   and name HZ  ))
       3.100     1.200     1.200 peak    54 spectrum    1 weight   .10000E+01 volume   .91316E-03 ppm1      1.019 ppm2      7.242 CV     1
  ASSI {   55}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 9    and name HN  ))
       2.700      .900      .900 peak    55 spectrum    1 weight   .10000E+01 volume   .17920E-02 ppm1       .774 ppm2      8.433 CV     1
  ASSI {   56}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 13   and name HE3 ))
       2.800     1.000     1.000 peak    56 spectrum    1 weight   .10000E+01 volume   .14731E-02 ppm1       .773 ppm2      7.281 CV     1
  ASSI {   57}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 13   and name HN  ))
       3.600     1.700     1.700 peak    57 spectrum    1 weight   .10000E+01 volume   .32766E-03 ppm1       .775 ppm2      7.825 CV     1
  ASSI {   58}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 14   and name HN  ))
       3.700     1.700     1.700 peak    58 spectrum    1 weight   .10000E+01 volume   .30567E-03 ppm1       .776 ppm2      9.328 CV     1
  ASSI {   59}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 15   and name HN  ))
       3.300     1.400     1.400 peak    59 spectrum    1 weight   .10000E+01 volume   .54920E-03 ppm1       .773 ppm2      8.891 CV     1
  ASSI {   60}
    (  segid "    " and resid 9    and name HD2%)
    (  segid "    " and resid 25   and name HD% )
       2.300      .600      .600 peak    60 spectrum    1 weight   .10000E+01 volume   .55172E-02 ppm1       .774 ppm2      7.029 CV     1
  ASSI {   61}
    (  segid "    " and resid 9    and name HD2%)
    (  segid "    " and resid 25   and name HE% )
       2.300      .700      .700 peak    61 spectrum    1 weight   .10000E+01 volume   .46826E-02 ppm1       .774 ppm2      7.195 CV     1
  ASSI {   62}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 25   and name HZ  ))
       2.800     1.000     1.000 peak    62 spectrum    1 weight   .10000E+01 volume   .15863E-02 ppm1       .772 ppm2      7.242 CV     1
  ASSI {   63}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 39   and name HE  ))
       2.900     1.000     1.000 peak    63 spectrum    1 weight   .10000E+01 volume   .12927E-02 ppm1       .773 ppm2      8.727 CV     1
  ASSI {   64}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 39   and name HH12))
       3.600     1.600     1.600 peak    64 spectrum    1 weight   .10000E+01 volume   .37606E-03 ppm1       .773 ppm2      6.682 CV     1
  OR {   64}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 39   and name HH11))
  OR {   64}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 39   and name HH21))
  OR {   64}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 39   and name HH22))
  ASSI {   65}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 39   and name HN  ))
       2.900     1.100     1.100 peak    65 spectrum    1 weight   .10000E+01 volume   .12336E-02 ppm1       .773 ppm2      8.277 CV     1
  ASSI {   66}
    (( segid "    " and resid 9    and name HG  ))
    (( segid "    " and resid 9    and name HN  ))
       2.400      .700      .700 peak    66 spectrum    1 weight   .10000E+01 volume   .40927E-02 ppm1      1.679 ppm2      8.433 CV     1
  ASSI {   67}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 13   and name HD1 ))
       2.700      .900      .900 peak    67 spectrum    1 weight   .10000E+01 volume   .20410E-02 ppm1      2.228 ppm2      7.031 CV     1
  ASSI {   68}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.400     1.500     1.500 peak    68 spectrum    1 weight   .10000E+01 volume   .44980E-03 ppm1      2.226 ppm2     10.265 CV     1
  ASSI {   69}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 13   and name HD1 ))
       2.800     1.000     1.000 peak    69 spectrum    1 weight   .10000E+01 volume   .15826E-02 ppm1      1.856 ppm2      7.034 CV     1
  ASSI {   70}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.600     1.600     1.600 peak    70 spectrum    1 weight   .10000E+01 volume   .36258E-03 ppm1      1.853 ppm2     10.266 CV     1
  ASSI {   71}
    (( segid "    " and resid 10   and name HD2 ))
    (( segid "    " and resid 13   and name HD1 ))
       2.600      .800      .800 peak    71 spectrum    1 weight   .10000E+01 volume   .24074E-02 ppm1      3.219 ppm2      7.030 CV     1
  ASSI {   72}
    (( segid "    " and resid 10   and name HD2 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.300     1.400     1.400 peak    72 spectrum    1 weight   .10000E+01 volume   .59036E-03 ppm1      3.223 ppm2     10.266 CV     1
  ASSI {   73}
    (( segid "    " and resid 10   and name HD3 ))
    (( segid "    " and resid 13   and name HD1 ))
       2.700      .900      .900 peak    73 spectrum    1 weight   .10000E+01 volume   .20802E-02 ppm1      2.609 ppm2      7.031 CV     1
  ASSI {   74}
    (( segid "    " and resid 10   and name HD3 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.600     1.600     1.600 peak    74 spectrum    1 weight   .10000E+01 volume   .37631E-03 ppm1      2.609 ppm2     10.266 CV     1
  ASSI {   75}
    (( segid "    " and resid 10   and name HD3 ))
    (( segid "    " and resid 13   and name HN  ))
       3.500     1.500     1.500 peak    75 spectrum    1 weight   .10000E+01 volume   .43874E-03 ppm1      2.607 ppm2      7.823 CV     1
  ASSI {   76}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.300     1.400     1.400 peak    76 spectrum    1 weight   .10000E+01 volume   .58286E-03 ppm1      1.541 ppm2     10.266 CV     1
  ASSI {   77}
    (( segid "    " and resid 10   and name HG3 ))
    (( segid "    " and resid 13   and name HD1 ))
       2.600      .800      .800 peak    77 spectrum    1 weight   .10000E+01 volume   .26736E-02 ppm1      1.157 ppm2      7.031 CV     1
  ASSI {   78}
    (( segid "    " and resid 10   and name HG3 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.100     1.200     1.200 peak    78 spectrum    1 weight   .10000E+01 volume   .83706E-03 ppm1      1.145 ppm2     10.266 CV     1
  ASSI {   79}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       2.800     1.000     1.000 peak    79 spectrum    1 weight   .10000E+01 volume   .15198E-02 ppm1      4.287 ppm2      8.913 CV     1
  ASSI {   80}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       3.200     1.300     1.300 peak    80 spectrum    1 weight   .10000E+01 volume   .69581E-03 ppm1      4.282 ppm2      7.824 CV     1
  ASSI {   81}
    (( segid "    " and resid 11   and name HB2 ))
    (( segid "    " and resid 12   and name HN  ))
       2.700      .900      .900 peak    81 spectrum    1 weight   .10000E+01 volume   .17810E-02 ppm1      2.292 ppm2      8.912 CV     1
  ASSI {   82}
    (( segid "    " and resid 11   and name HB3 ))
    (( segid "    " and resid 12   and name HN  ))
       3.000     1.100     1.100 peak    82 spectrum    1 weight   .10000E+01 volume   .10470E-02 ppm1      1.902 ppm2      8.912 CV     1
  ASSI {   83}
    (( segid "    " and resid 12   and name HA2 ))
    (( segid "    " and resid 12   and name HN  ))
       2.200      .600      .600 peak    83 spectrum    1 weight   .10000E+01 volume   .75339E-02 ppm1      4.373 ppm2      8.913 CV     1
  ASSI {   84}
    (( segid "    " and resid 12   and name HA2 ))
    (( segid "    " and resid 13   and name HN  ))
       2.800     1.000     1.000 peak    84 spectrum    1 weight   .10000E+01 volume   .15081E-02 ppm1      4.372 ppm2      7.822 CV     1
  ASSI {   87}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HE3 ))
       2.900     1.100     1.100 peak    87 spectrum    1 weight   .10000E+01 volume   .12204E-02 ppm1      5.766 ppm2      7.281 CV     1
  ASSI {   88}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       2.800     1.000     1.000 peak    88 spectrum    1 weight   .10000E+01 volume   .14769E-02 ppm1      5.768 ppm2      7.825 CV     1
  ASSI {   89}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.300      .700      .700 peak    89 spectrum    1 weight   .10000E+01 volume   .50251E-02 ppm1      5.766 ppm2      9.325 CV     1
  ASSI {   90}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       2.700      .900      .900 peak    90 spectrum    1 weight   .10000E+01 volume   .19618E-02 ppm1      5.766 ppm2      8.764 CV     1
  ASSI {   91}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 13   and name HD1 ))
       2.500      .800      .800 peak    91 spectrum    1 weight   .10000E+01 volume   .33190E-02 ppm1      3.297 ppm2      7.029 CV     1
  ASSI {   92}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.400     1.500     1.500 peak    92 spectrum    1 weight   .10000E+01 volume   .46982E-03 ppm1      3.295 ppm2     10.265 CV     1
  ASSI {   93}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 13   and name HE3 ))
       2.700      .900      .900 peak    93 spectrum    1 weight   .10000E+01 volume   .19845E-02 ppm1      3.284 ppm2      7.280 CV     1
  ASSI {   94}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 13   and name HN  ))
       2.500      .800      .800 peak    94 spectrum    1 weight   .10000E+01 volume   .32073E-02 ppm1      3.287 ppm2      7.822 CV     1
  ASSI {   95}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 14   and name HN  ))
       3.100     1.200     1.200 peak    95 spectrum    1 weight   .10000E+01 volume   .86809E-03 ppm1      3.287 ppm2      9.327 CV     1
  ASSI {   96}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 13   and name HD1 ))
       2.700      .900      .900 peak    96 spectrum    1 weight   .10000E+01 volume   .17985E-02 ppm1      3.003 ppm2      7.030 CV     1
  ASSI {   97}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.700     1.700     1.700 peak    97 spectrum    1 weight   .10000E+01 volume   .29642E-03 ppm1      3.011 ppm2     10.264 CV     1
  ASSI {   98}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 13   and name HE3 ))
       2.600      .800      .800 peak    98 spectrum    1 weight   .10000E+01 volume   .27048E-02 ppm1      3.003 ppm2      7.280 CV     1
  ASSI {   99}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 13   and name HN  ))
       2.600      .800      .800 peak    99 spectrum    1 weight   .10000E+01 volume   .24577E-02 ppm1      3.005 ppm2      7.822 CV     1
  ASSI {  100}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       2.800     1.000     1.000 peak   100 spectrum    1 weight   .10000E+01 volume   .15420E-02 ppm1      3.003 ppm2      9.326 CV     1
  ASSI {  101}
    (( segid "    " and resid 13   and name HD1 ))
    (( segid "    " and resid 13   and name HE1 ))
       2.000      .500      .500 peak   101 spectrum    1 weight   .10000E+01 volume   .10304E-01 ppm1      7.028 ppm2     10.267 CV     1
  ASSI {  102}
    (( segid "    " and resid 13   and name HD1 ))
    (( segid "    " and resid 13   and name HN  ))
       2.500      .800      .800 peak   102 spectrum    1 weight   .10000E+01 volume   .34677E-02 ppm1      7.029 ppm2      7.822 CV     1
  ASSI {  103}
    (( segid "    " and resid 13   and name HD1 ))
    (( segid "    " and resid 29   and name HD21))
       2.800     1.000     1.000 peak   103 spectrum    1 weight   .10000E+01 volume   .15293E-02 ppm1      7.030 ppm2      8.014 CV     1
  ASSI {  104}
    (( segid "    " and resid 13   and name HD1 ))
    (( segid "    " and resid 29   and name HD22))
       2.800     1.000     1.000 peak   104 spectrum    1 weight   .10000E+01 volume   .14215E-02 ppm1      7.028 ppm2      7.708 CV     1
  ASSI {  105}
    (( segid "    " and resid 13   and name HE3 ))
    (( segid "    " and resid 14   and name HN  ))
       3.100     1.200     1.200 peak   105 spectrum    1 weight   .10000E+01 volume   .84609E-03 ppm1      7.277 ppm2      9.325 CV     1
  ASSI {  106}
    (( segid "    " and resid 13   and name HE3 ))
    (( segid "    " and resid 26   and name HN  ))
       3.200     1.300     1.300 peak   106 spectrum    1 weight   .10000E+01 volume   .70675E-03 ppm1      7.278 ppm2      9.151 CV     1
  ASSI {  107}
    (( segid "    " and resid 13   and name HH2 ))
    (( segid "    " and resid 13   and name HE3 ))
       2.400      .700      .700 peak   107 spectrum    1 weight   .10000E+01 volume   .38840E-02 ppm1      7.092 ppm2      7.283 CV     1
  ASSI {  108}
    (( segid "    " and resid 13   and name HH2 ))
    (( segid "    " and resid 13   and name HZ2 ))
       2.000      .500      .500 peak   108 spectrum    1 weight   .10000E+01 volume   .12631E-01 ppm1      7.092 ppm2      7.375 CV     1
  ASSI {  109}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 12   and name HN  ))
       2.600      .800      .800 peak   109 spectrum    1 weight   .10000E+01 volume   .25921E-02 ppm1      7.826 ppm2      8.913 CV     1
  ASSI {  110}
    (( segid "    " and resid 13   and name HN  ))
    (( segid "    " and resid 13   and name HE1 ))
       3.500     1.600     1.600 peak   110 spectrum    1 weight   .10000E+01 volume   .38221E-03 ppm1      7.829 ppm2     10.268 CV     1
  ASSI {  111}
    (( segid "    " and resid 13   and name HZ2 ))
    (( segid "    " and resid 13   and name HE1 ))
       2.200      .600      .600 peak   111 spectrum    1 weight   .10000E+01 volume   .60489E-02 ppm1      7.372 ppm2     10.266 CV     1
  ASSI {  112}
    (( segid "    " and resid 13   and name HZ3 ))
    (( segid "    " and resid 13   and name HE3 ))
       2.100      .600      .600 peak   112 spectrum    1 weight   .10000E+01 volume   .77552E-02 ppm1      6.786 ppm2      7.283 CV     1
  ASSI {  113}
    (( segid "    " and resid 13   and name HZ3 ))
    (( segid "    " and resid 13   and name HH2 ))
       2.200      .600      .600 peak   113 spectrum    1 weight   .10000E+01 volume   .67844E-02 ppm1      6.786 ppm2      7.093 CV     1
  ASSI {  114}
    (( segid "    " and resid 13   and name HZ3 ))
    (( segid "    " and resid 13   and name HZ2 ))
       2.700      .900      .900 peak   114 spectrum    1 weight   .10000E+01 volume   .20873E-02 ppm1      6.786 ppm2      7.374 CV     1
  ASSI {  115}
    (( segid "    " and resid 13   and name HZ3 ))
    (( segid "    " and resid 26   and name HN  ))
       3.400     1.400     1.400 peak   115 spectrum    1 weight   .10000E+01 volume   .49986E-03 ppm1      6.783 ppm2      9.152 CV     1
  ASSI {  116}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.900     1.100     1.100 peak   116 spectrum    1 weight   .10000E+01 volume   .12392E-02 ppm1      4.750 ppm2      9.331 CV     1
  ASSI {  117}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       2.300      .600      .600 peak   117 spectrum    1 weight   .10000E+01 volume   .55681E-02 ppm1      4.750 ppm2      8.886 CV     1
  ASSI {  118}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HN  ))
       2.700      .900      .900 peak   118 spectrum    1 weight   .10000E+01 volume   .18420E-02 ppm1      2.050 ppm2      9.327 CV     1
  ASSI {  119}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
       2.500      .800      .800 peak   119 spectrum    1 weight   .10000E+01 volume   .30352E-02 ppm1      2.054 ppm2      8.886 CV     1
  ASSI {  120}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
       3.300     1.300     1.300 peak   120 spectrum    1 weight   .10000E+01 volume   .62434E-03 ppm1      2.050 ppm2      9.148 CV     1
  ASSI {  121}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 28   and name HD2 ))
       2.300      .700      .700 peak   121 spectrum    1 weight   .10000E+01 volume   .53708E-02 ppm1      2.049 ppm2      7.042 CV     1
  ASSI {  122}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 28   and name HE1 ))
       3.300     1.300     1.300 peak   122 spectrum    1 weight   .10000E+01 volume   .62933E-03 ppm1      2.055 ppm2      8.303 CV     1
  ASSI {  123}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       2.900     1.100     1.100 peak   123 spectrum    1 weight   .10000E+01 volume   .12616E-02 ppm1      2.000 ppm2      9.326 CV     1
  ASSI {  124}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
       3.300     1.400     1.400 peak   124 spectrum    1 weight   .10000E+01 volume   .57113E-03 ppm1      2.001 ppm2      9.148 CV     1
  ASSI {  125}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 28   and name HD2 ))
       2.600      .800      .800 peak   125 spectrum    1 weight   .10000E+01 volume   .25886E-02 ppm1      2.000 ppm2      7.042 CV     1
  ASSI {  126}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 28   and name HE1 ))
       3.600     1.600     1.600 peak   126 spectrum    1 weight   .10000E+01 volume   .34095E-03 ppm1      2.001 ppm2      8.303 CV     1
  ASSI {  127}
    (( segid "    " and resid 14   and name HG3 ))
    (( segid "    " and resid 14   and name HN  ))
       3.500     1.600     1.600 peak   127 spectrum    1 weight   .10000E+01 volume   .38066E-03 ppm1      2.313 ppm2      9.325 CV     1
  OR {  127}
    (( segid "    " and resid 14   and name HG2 ))
    (( segid "    " and resid 14   and name HN  ))
  ASSI {  128}
    (( segid "    " and resid 14   and name HG3 ))
    (( segid "    " and resid 15   and name HN  ))
       2.900     1.000     1.000 peak   128 spectrum    1 weight   .10000E+01 volume   .13814E-02 ppm1      2.310 ppm2      8.886 CV     1
  OR {  128}
    (( segid "    " and resid 14   and name HG2 ))
    (( segid "    " and resid 15   and name HN  ))
  ASSI {  129}
    (( segid "    " and resid 14   and name HG2 ))
    (( segid "    " and resid 28   and name HD2 ))
       2.800     1.000     1.000 peak   129 spectrum    1 weight   .10000E+01 volume   .16384E-02 ppm1      2.307 ppm2      7.041 CV     1
  OR {  129}
    (( segid "    " and resid 14   and name HG3 ))
    (( segid "    " and resid 28   and name HD2 ))
  ASSI {  130}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 15   and name HN  ))
       3.000     1.200     1.200 peak   130 spectrum    1 weight   .10000E+01 volume   .95102E-03 ppm1      4.868 ppm2      8.886 CV     1
  ASSI {  131}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       2.500      .800      .800 peak   131 spectrum    1 weight   .10000E+01 volume   .28620E-02 ppm1      4.867 ppm2      8.368 CV     1
  ASSI {  132}
    (( segid "    " and resid 15   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       3.100     1.200     1.200 peak   132 spectrum    1 weight   .10000E+01 volume   .79510E-03 ppm1      4.865 ppm2      7.028 CV     1
  ASSI {  133}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       3.400     1.400     1.400 peak   133 spectrum    1 weight   .10000E+01 volume   .52122E-03 ppm1      4.869 ppm2      9.150 CV     1
  ASSI {  134}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       2.900     1.000     1.000 peak   134 spectrum    1 weight   .10000E+01 volume   .13530E-02 ppm1      1.998 ppm2      8.371 CV     1
  ASSI {  135}
    (( segid "    " and resid 15   and name HB2 ))
    (  segid "    " and resid 25   and name HE% )
       2.500      .800      .800 peak   135 spectrum    1 weight   .10000E+01 volume   .28011E-02 ppm1      2.000 ppm2      7.195 CV     1
  ASSI {  136}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 25   and name HZ  ))
       2.800     1.000     1.000 peak   136 spectrum    1 weight   .10000E+01 volume   .15447E-02 ppm1      2.000 ppm2      7.244 CV     1
  ASSI {  137}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       2.700      .900      .900 peak   137 spectrum    1 weight   .10000E+01 volume   .21798E-02 ppm1      1.762 ppm2      8.884 CV     1
  ASSI {  138}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 16   and name HN  ))
       2.900     1.100     1.100 peak   138 spectrum    1 weight   .10000E+01 volume   .11606E-02 ppm1      1.762 ppm2      8.370 CV     1
  ASSI {  139}
    (( segid "    " and resid 15   and name HB3 ))
    (  segid "    " and resid 25   and name HE% )
       2.600      .800      .800 peak   139 spectrum    1 weight   .10000E+01 volume   .24842E-02 ppm1      1.762 ppm2      7.195 CV     1
  ASSI {  140}
    (( segid "    " and resid 15   and name HG3 ))
    (( segid "    " and resid 15   and name HN  ))
       2.900     1.100     1.100 peak   140 spectrum    1 weight   .10000E+01 volume   .12035E-02 ppm1      1.883 ppm2      8.885 CV     1
  OR {  140}
    (( segid "    " and resid 15   and name HG2 ))
    (( segid "    " and resid 15   and name HN  ))
  ASSI {  141}
    (( segid "    " and resid 15   and name HG2 ))
    (( segid "    " and resid 16   and name HN  ))
       2.600      .800      .800 peak   141 spectrum    1 weight   .10000E+01 volume   .25598E-02 ppm1      1.885 ppm2      8.373 CV     1
  OR {  141}
    (( segid "    " and resid 15   and name HG3 ))
    (( segid "    " and resid 16   and name HN  ))
  ASSI {  142}
    (( segid "    " and resid 15   and name HG2 ))
    (( segid "    " and resid 24   and name HN  ))
       2.900     1.100     1.100 peak   142 spectrum    1 weight   .10000E+01 volume   .12048E-02 ppm1      1.884 ppm2      8.783 CV     1
  OR {  142}
    (( segid "    " and resid 15   and name HG3 ))
    (( segid "    " and resid 24   and name HN  ))
  ASSI {  143}
    (( segid "    " and resid 15   and name HG2 ))
    (  segid "    " and resid 25   and name HE% )
       2.600      .800      .800 peak   143 spectrum    1 weight   .10000E+01 volume   .26425E-02 ppm1      1.883 ppm2      7.195 CV     1
  OR {  143}
    (( segid "    " and resid 15   and name HG3 ))
    (  segid "    " and resid 25   and name HE% )
  ASSI {  144}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       2.800     1.000     1.000 peak   144 spectrum    1 weight   .10000E+01 volume   .16000E-02 ppm1      4.337 ppm2      8.367 CV     1
  ASSI {  145}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       2.000      .500      .500 peak   145 spectrum    1 weight   .10000E+01 volume   .10849E-01 ppm1      4.338 ppm2      8.137 CV     1
  ASSI {  146}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HE  ))
       2.900     1.100     1.100 peak   146 spectrum    1 weight   .10000E+01 volume   .12527E-02 ppm1      1.267 ppm2      7.058 CV     1
  ASSI {  147}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       2.700      .900      .900 peak   147 spectrum    1 weight   .10000E+01 volume   .20487E-02 ppm1      1.270 ppm2      8.367 CV     1
  ASSI {  148}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       2.300      .700      .700 peak   148 spectrum    1 weight   .10000E+01 volume   .51655E-02 ppm1      1.273 ppm2      8.139 CV     1
  ASSI {  149}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 24   and name HE% )
       2.700      .900      .900 peak   149 spectrum    1 weight   .10000E+01 volume   .18353E-02 ppm1      1.268 ppm2      6.787 CV     1
  ASSI {  150}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
       3.500     1.500     1.500 peak   150 spectrum    1 weight   .10000E+01 volume   .44236E-03 ppm1      1.271 ppm2      8.782 CV     1
  ASSI {  151}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 16   and name HN  ))
       2.700      .900      .900 peak   151 spectrum    1 weight   .10000E+01 volume   .18057E-02 ppm1       .262 ppm2      8.367 CV     1
  ASSI {  152}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 17   and name HN  ))
       2.800     1.000     1.000 peak   152 spectrum    1 weight   .10000E+01 volume   .16804E-02 ppm1       .262 ppm2      8.142 CV     1
  ASSI {  153}
    (( segid "    " and resid 16   and name HB3 ))
    (  segid "    " and resid 24   and name HD% )
       3.200     1.300     1.300 peak   153 spectrum    1 weight   .10000E+01 volume   .67662E-03 ppm1       .255 ppm2      6.646 CV     1
  ASSI {  154}
    (( segid "    " and resid 16   and name HB3 ))
    (  segid "    " and resid 24   and name HE% )
       2.900     1.100     1.100 peak   154 spectrum    1 weight   .10000E+01 volume   .12017E-02 ppm1       .264 ppm2      6.787 CV     1
  ASSI {  155}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 24   and name HN  ))
       3.400     1.500     1.500 peak   155 spectrum    1 weight   .10000E+01 volume   .46524E-03 ppm1       .263 ppm2      8.778 CV     1
  ASSI {  156}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 24   and name HZ  ))
       2.900     1.100     1.100 peak   156 spectrum    1 weight   .10000E+01 volume   .11955E-02 ppm1       .263 ppm2      7.042 CV     1
  ASSI {  157}
    (( segid "    " and resid 16   and name HD2 ))
    (( segid "    " and resid 16   and name HE  ))
       2.900     1.100     1.100 peak   157 spectrum    1 weight   .10000E+01 volume   .11919E-02 ppm1      3.097 ppm2      7.063 CV     1
  ASSI {  158}
    (( segid "    " and resid 16   and name HD3 ))
    (( segid "    " and resid 16   and name HE  ))
       2.800     1.000     1.000 peak   158 spectrum    1 weight   .10000E+01 volume   .15161E-02 ppm1      2.893 ppm2      7.063 CV     1
  ASSI {  159}
    (( segid "    " and resid 16   and name HD3 ))
    (( segid "    " and resid 17   and name HN  ))
       3.100     1.200     1.200 peak   159 spectrum    1 weight   .10000E+01 volume   .77599E-03 ppm1      2.884 ppm2      8.136 CV     1
  ASSI {  160}
    (( segid "    " and resid 16   and name HD3 ))
    (  segid "    " and resid 24   and name HE% )
       3.300     1.300     1.300 peak   160 spectrum    1 weight   .10000E+01 volume   .60027E-03 ppm1      2.892 ppm2      6.784 CV     1
  ASSI {  161}
    (( segid "    " and resid 16   and name HG2 ))
    (( segid "    " and resid 16   and name HE  ))
       3.000     1.100     1.100 peak   161 spectrum    1 weight   .10000E+01 volume   .99599E-03 ppm1      1.114 ppm2      7.058 CV     1
  OR {  161}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 16   and name HE  ))
  ASSI {  162}
    (( segid "    " and resid 16   and name HG2 ))
    (( segid "    " and resid 16   and name HN  ))
       3.100     1.200     1.200 peak   162 spectrum    1 weight   .10000E+01 volume   .81703E-03 ppm1      1.114 ppm2      8.367 CV     1
  OR {  162}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 16   and name HN  ))
  ASSI {  163}
    (( segid "    " and resid 16   and name HG3 ))
    (( segid "    " and resid 17   and name HN  ))
       2.900     1.100     1.100 peak   163 spectrum    1 weight   .10000E+01 volume   .11540E-02 ppm1      1.115 ppm2      8.141 CV     1
  OR {  163}
    (( segid "    " and resid 16   and name HG2 ))
    (( segid "    " and resid 17   and name HN  ))
  ASSI {  164}
    (( segid "    " and resid 16   and name HG3 ))
    (  segid "    " and resid 24   and name HE% )
       3.200     1.300     1.300 peak   164 spectrum    1 weight   .10000E+01 volume   .71572E-03 ppm1      1.115 ppm2      6.786 CV     1
  OR {  164}
    (( segid "    " and resid 16   and name HG2 ))
    (  segid "    " and resid 24   and name HE% )
  ASSI {  165}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       2.700      .900      .900 peak   165 spectrum    1 weight   .10000E+01 volume   .19140E-02 ppm1      8.369 ppm2      8.788 CV     1
  ASSI {  166}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       2.000      .500      .500 peak   166 spectrum    1 weight   .10000E+01 volume   .13550E-01 ppm1      4.319 ppm2      8.137 CV     1
  ASSI {  167}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       2.300      .700      .700 peak   167 spectrum    1 weight   .10000E+01 volume   .48671E-02 ppm1      4.322 ppm2      8.853 CV     1
  ASSI {  168}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       2.800     1.000     1.000 peak   168 spectrum    1 weight   .10000E+01 volume   .16986E-02 ppm1      4.320 ppm2      8.779 CV     1
  ASSI {  169}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 17   and name HN  ))
       2.300      .700      .700 peak   169 spectrum    1 weight   .10000E+01 volume   .49675E-02 ppm1      1.777 ppm2      8.139 CV     1
  ASSI {  170}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 18   and name HN  ))
       2.900     1.100     1.100 peak   170 spectrum    1 weight   .10000E+01 volume   .11765E-02 ppm1      1.783 ppm2      8.856 CV     1
  ASSI {  171}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 24   and name HN  ))
       3.300     1.400     1.400 peak   171 spectrum    1 weight   .10000E+01 volume   .53721E-03 ppm1      1.775 ppm2      8.785 CV     1
  ASSI {  172}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 17   and name HN  ))
       2.900     1.100     1.100 peak   172 spectrum    1 weight   .10000E+01 volume   .12605E-02 ppm1       .629 ppm2      8.142 CV     1
  ASSI {  173}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 18   and name HN  ))
       2.800     1.000     1.000 peak   173 spectrum    1 weight   .10000E+01 volume   .16736E-02 ppm1       .631 ppm2      8.854 CV     1
  ASSI {  174}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 24   and name HN  ))
       2.800     1.000     1.000 peak   174 spectrum    1 weight   .10000E+01 volume   .14581E-02 ppm1       .630 ppm2      8.783 CV     1
  ASSI {  175}
    (( segid "    " and resid 17   and name HG12))
    (( segid "    " and resid 17   and name HN  ))
       2.700      .900      .900 peak   175 spectrum    1 weight   .10000E+01 volume   .18567E-02 ppm1      1.325 ppm2      8.140 CV     1
  ASSI {  176}
    (( segid "    " and resid 17   and name HG12))
    (( segid "    " and resid 18   and name HN  ))
       3.600     1.700     1.700 peak   176 spectrum    1 weight   .10000E+01 volume   .32054E-03 ppm1      1.319 ppm2      8.850 CV     1
  ASSI {  177}
    (( segid "    " and resid 17   and name HG13))
    (( segid "    " and resid 17   and name HN  ))
       2.600      .800      .800 peak   177 spectrum    1 weight   .10000E+01 volume   .26478E-02 ppm1      1.173 ppm2      8.141 CV     1
  ASSI {  178}
    (( segid "    " and resid 17   and name HG13))
    (( segid "    " and resid 18   and name HN  ))
       3.300     1.400     1.400 peak   178 spectrum    1 weight   .10000E+01 volume   .55738E-03 ppm1      1.173 ppm2      8.852 CV     1
  ASSI {  179}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 17   and name HN  ))
       2.500      .800      .800 peak   179 spectrum    1 weight   .10000E+01 volume   .28613E-02 ppm1       .864 ppm2      8.140 CV     1
  ASSI {  180}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 18   and name HN  ))
       2.400      .700      .700 peak   180 spectrum    1 weight   .10000E+01 volume   .43590E-02 ppm1       .862 ppm2      8.853 CV     1
  ASSI {  181}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 20   and name HN  ))
       3.400     1.500     1.500 peak   181 spectrum    1 weight   .10000E+01 volume   .47323E-03 ppm1       .862 ppm2      7.509 CV     1
  ASSI {  182}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 21   and name HN  ))
       2.400      .700      .700 peak   182 spectrum    1 weight   .10000E+01 volume   .36039E-02 ppm1       .864 ppm2      8.580 CV     1
  ASSI {  183}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 22   and name HN  ))
       2.800     1.000     1.000 peak   183 spectrum    1 weight   .10000E+01 volume   .15514E-02 ppm1       .862 ppm2      7.708 CV     1
  ASSI {  184}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 24   and name HN  ))
       3.200     1.200     1.200 peak   184 spectrum    1 weight   .10000E+01 volume   .77038E-03 ppm1       .863 ppm2      8.784 CV     1
  ASSI {  185}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       3.900     1.900     1.900 peak   185 spectrum    1 weight   .10000E+01 volume   .22239E-03 ppm1      4.615 ppm2      8.857 CV     1
  ASSI {  186}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 18   and name HN  ))
       2.200      .600      .600 peak   186 spectrum    1 weight   .10000E+01 volume   .67710E-02 ppm1      1.852 ppm2      8.853 CV     1
  ASSI {  187}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 20   and name HN  ))
       2.400      .700      .700 peak   187 spectrum    1 weight   .10000E+01 volume   .36714E-02 ppm1      1.853 ppm2      7.510 CV     1
  ASSI {  188}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 21   and name HN  ))
       2.800     1.000     1.000 peak   188 spectrum    1 weight   .10000E+01 volume   .15203E-02 ppm1      1.851 ppm2      8.580 CV     1
  ASSI {  189}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 22   and name HN  ))
       2.400      .700      .700 peak   189 spectrum    1 weight   .10000E+01 volume   .35176E-02 ppm1      1.852 ppm2      7.709 CV     1
  ASSI {  190}
    (  segid "    " and resid 18   and name HB% )
    (  segid "    " and resid 24   and name HD% )
       2.400      .700      .700 peak   190 spectrum    1 weight   .10000E+01 volume   .39868E-02 ppm1      1.852 ppm2      6.646 CV     1
  ASSI {  191}
    (  segid "    " and resid 18   and name HB% )
    (  segid "    " and resid 24   and name HE% )
       2.600      .800      .800 peak   191 spectrum    1 weight   .10000E+01 volume   .26030E-02 ppm1      1.853 ppm2      6.786 CV     1
  ASSI {  192}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 24   and name HN  ))
       2.900     1.100     1.100 peak   192 spectrum    1 weight   .10000E+01 volume   .11612E-02 ppm1      1.854 ppm2      8.783 CV     1
  ASSI {  193}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 35   and name HE3 ))
       2.900     1.100     1.100 peak   193 spectrum    1 weight   .10000E+01 volume   .12086E-02 ppm1      1.853 ppm2      8.156 CV     1
  ASSI {  194}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 35   and name HH2 ))
       2.300      .700      .700 peak   194 spectrum    1 weight   .10000E+01 volume   .50252E-02 ppm1      1.850 ppm2      6.936 CV     1
  ASSI {  195}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 35   and name HZ2 ))
       2.800     1.000     1.000 peak   195 spectrum    1 weight   .10000E+01 volume   .14825E-02 ppm1      1.854 ppm2      7.294 CV     1
  ASSI {  196}
    (  segid "    " and resid 18   and name HB% )
    (( segid "    " and resid 35   and name HZ3 ))
       2.400      .700      .700 peak   196 spectrum    1 weight   .10000E+01 volume   .44692E-02 ppm1      1.851 ppm2      7.013 CV     1
  ASSI {  197}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       3.000     1.100     1.100 peak   197 spectrum    1 weight   .10000E+01 volume   .10683E-02 ppm1      4.329 ppm2      7.511 CV     1
  ASSI {  198}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       2.800     1.000     1.000 peak   198 spectrum    1 weight   .10000E+01 volume   .16560E-02 ppm1      4.327 ppm2      8.580 CV     1
  ASSI {  199}
    (( segid "    " and resid 19   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       3.200     1.300     1.300 peak   199 spectrum    1 weight   .10000E+01 volume   .70685E-03 ppm1      2.381 ppm2      7.509 CV     1
  OR {  199}
    (( segid "    " and resid 19   and name HB3 ))
    (( segid "    " and resid 20   and name HN  ))
  ASSI {  200}
    (( segid "    " and resid 19   and name HD2 ))
    (( segid "    " and resid 20   and name HN  ))
       3.500     1.500     1.500 peak   200 spectrum    1 weight   .10000E+01 volume   .43224E-03 ppm1      3.643 ppm2      7.507 CV     1
  ASSI {  201}
    (( segid "    " and resid 19   and name HD3 ))
    (( segid "    " and resid 20   and name HN  ))
       3.300     1.400     1.400 peak   201 spectrum    1 weight   .10000E+01 volume   .56851E-03 ppm1      3.540 ppm2      7.507 CV     1
  ASSI {  202}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       3.300     1.400     1.400 peak   202 spectrum    1 weight   .10000E+01 volume   .54400E-03 ppm1      4.580 ppm2      7.509 CV     1
  ASSI {  203}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HD21))
       2.700      .900      .900 peak   203 spectrum    1 weight   .10000E+01 volume   .19659E-02 ppm1      3.217 ppm2      7.356 CV     1
  ASSI {  204}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HD22))
       3.300     1.400     1.400 peak   204 spectrum    1 weight   .10000E+01 volume   .59592E-03 ppm1      3.216 ppm2      6.026 CV     1
  ASSI {  205}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       2.900     1.000     1.000 peak   205 spectrum    1 weight   .10000E+01 volume   .13660E-02 ppm1      3.217 ppm2      7.508 CV     1
  ASSI {  206}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 20   and name HD21))
       2.700      .900      .900 peak   206 spectrum    1 weight   .10000E+01 volume   .20746E-02 ppm1      2.822 ppm2      7.354 CV     1
  ASSI {  207}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 20   and name HD22))
       3.300     1.400     1.400 peak   207 spectrum    1 weight   .10000E+01 volume   .57015E-03 ppm1      2.820 ppm2      6.024 CV     1
  ASSI {  208}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 20   and name HN  ))
       2.800      .900      .900 peak   208 spectrum    1 weight   .10000E+01 volume   .17408E-02 ppm1      2.818 ppm2      7.507 CV     1
  ASSI {  209}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 21   and name HN  ))
       3.400     1.500     1.500 peak   209 spectrum    1 weight   .10000E+01 volume   .47206E-03 ppm1      2.810 ppm2      8.580 CV     1
  ASSI {  210}
    (( segid "    " and resid 20   and name HD21))
    (( segid "    " and resid 20   and name HN  ))
       3.700     1.700     1.700 peak   210 spectrum    1 weight   .10000E+01 volume   .30054E-03 ppm1      7.351 ppm2      7.510 CV     1
  ASSI {  211}
    (( segid "    " and resid 20   and name HD22))
    (( segid "    " and resid 20   and name HD21))
       1.900      .400      .400 peak   211 spectrum    1 weight   .10000E+01 volume   .16412E-01 ppm1      6.024 ppm2      7.353 CV     1
  ASSI {  212}
    (( segid "    " and resid 20   and name HD22))
    (( segid "    " and resid 20   and name HN  ))
       3.500     1.500     1.500 peak   212 spectrum    1 weight   .10000E+01 volume   .43322E-03 ppm1      6.024 ppm2      7.509 CV     1
  ASSI {  213}
    (( segid "    " and resid 20   and name HD22))
    (( segid "    " and resid 35   and name HH2 ))
       3.300     1.400     1.400 peak   213 spectrum    1 weight   .10000E+01 volume   .58515E-03 ppm1      6.024 ppm2      6.936 CV     1
  ASSI {  214}
    (( segid "    " and resid 20   and name HD22))
    (( segid "    " and resid 35   and name HZ2 ))
       3.200     1.300     1.300 peak   214 spectrum    1 weight   .10000E+01 volume   .74201E-03 ppm1      6.024 ppm2      7.295 CV     1
  ASSI {  215}
    (( segid "    " and resid 20   and name HD22))
    (( segid "    " and resid 35   and name HZ3 ))
       3.700     1.700     1.700 peak   215 spectrum    1 weight   .10000E+01 volume   .29317E-03 ppm1      6.025 ppm2      7.015 CV     1
  ASSI {  216}
    (( segid "    " and resid 20   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
       2.400      .700      .700 peak   216 spectrum    1 weight   .10000E+01 volume   .35211E-02 ppm1      7.510 ppm2      8.580 CV     1
  ASSI {  217}
    (( segid "    " and resid 21   and name HA2 ))
    (( segid "    " and resid 21   and name HN  ))
       2.600      .800      .800 peak   217 spectrum    1 weight   .10000E+01 volume   .24061E-02 ppm1      4.281 ppm2      8.580 CV     1
  ASSI {  218}
    (( segid "    " and resid 21   and name HA2 ))
    (( segid "    " and resid 22   and name HN  ))
       2.800     1.000     1.000 peak   218 spectrum    1 weight   .10000E+01 volume   .15783E-02 ppm1      4.283 ppm2      7.706 CV     1
  ASSI {  221}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       3.000     1.100     1.100 peak   221 spectrum    1 weight   .10000E+01 volume   .10508E-02 ppm1      4.777 ppm2      7.709 CV     1
  ASSI {  222}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 21   and name HN  ))
       3.200     1.300     1.300 peak   222 spectrum    1 weight   .10000E+01 volume   .71052E-03 ppm1      1.792 ppm2      8.584 CV     1
  OR {  222}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  223}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 22   and name HN  ))
       2.400      .700      .700 peak   223 spectrum    1 weight   .10000E+01 volume   .42994E-02 ppm1      1.800 ppm2      7.709 CV     1
  OR {  223}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI {  224}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 35   and name HE3 ))
       2.600      .900      .900 peak   224 spectrum    1 weight   .10000E+01 volume   .23603E-02 ppm1      1.799 ppm2      8.156 CV     1
  OR {  224}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 35   and name HE3 ))
  ASSI {  225}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 35   and name HH2 ))
       3.200     1.300     1.300 peak   225 spectrum    1 weight   .10000E+01 volume   .72493E-03 ppm1      1.794 ppm2      6.936 CV     1
  OR {  225}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 35   and name HH2 ))
  ASSI {  226}
    (( segid "    " and resid 22   and name HB3 ))
    (( segid "    " and resid 35   and name HZ3 ))
       2.600      .900      .900 peak   226 spectrum    1 weight   .10000E+01 volume   .23408E-02 ppm1      1.793 ppm2      7.013 CV     1
  OR {  226}
    (( segid "    " and resid 22   and name HB2 ))
    (( segid "    " and resid 35   and name HZ3 ))
  ASSI {  227}
    (( segid "    " and resid 22   and name HD2 ))
    (( segid "    " and resid 22   and name HE  ))
       2.900     1.100     1.100 peak   227 spectrum    1 weight   .10000E+01 volume   .12094E-02 ppm1      2.872 ppm2      7.073 CV     1
  ASSI {  228}
    (( segid "    " and resid 22   and name HD2 ))
    (( segid "    " and resid 22   and name HN  ))
       3.500     1.500     1.500 peak   228 spectrum    1 weight   .10000E+01 volume   .41957E-03 ppm1      2.867 ppm2      7.709 CV     1
  ASSI {  229}
    (( segid "    " and resid 22   and name HD3 ))
    (( segid "    " and resid 22   and name HE  ))
       3.200     1.300     1.300 peak   229 spectrum    1 weight   .10000E+01 volume   .70661E-03 ppm1      2.586 ppm2      7.073 CV     1
  ASSI {  230}
    (( segid "    " and resid 22   and name HD3 ))
    (( segid "    " and resid 22   and name HN  ))
       3.600     1.600     1.600 peak   230 spectrum    1 weight   .10000E+01 volume   .34511E-03 ppm1      2.585 ppm2      7.706 CV     1
  ASSI {  231}
    (( segid "    " and resid 22   and name HG2 ))
    (( segid "    " and resid 22   and name HN  ))
       2.500      .800      .800 peak   231 spectrum    1 weight   .10000E+01 volume   .31973E-02 ppm1      2.007 ppm2      7.708 CV     1
  ASSI {  232}
    (( segid "    " and resid 22   and name HG2 ))
    (( segid "    " and resid 35   and name HE3 ))
       2.800     1.000     1.000 peak   232 spectrum    1 weight   .10000E+01 volume   .15995E-02 ppm1      2.006 ppm2      8.156 CV     1
  ASSI {  233}
    (( segid "    " and resid 22   and name HG2 ))
    (( segid "    " and resid 35   and name HH2 ))
       3.200     1.300     1.300 peak   233 spectrum    1 weight   .10000E+01 volume   .66369E-03 ppm1      2.008 ppm2      6.938 CV     1
  ASSI {  234}
    (( segid "    " and resid 22   and name HG2 ))
    (( segid "    " and resid 35   and name HZ3 ))
       2.600      .900      .900 peak   234 spectrum    1 weight   .10000E+01 volume   .22325E-02 ppm1      2.008 ppm2      7.013 CV     1
  ASSI {  235}
    (( segid "    " and resid 22   and name HG3 ))
    (( segid "    " and resid 22   and name HN  ))
       2.800     1.000     1.000 peak   235 spectrum    1 weight   .10000E+01 volume   .16044E-02 ppm1      1.630 ppm2      7.708 CV     1
  ASSI {  236}
    (( segid "    " and resid 22   and name HG3 ))
    (( segid "    " and resid 35   and name HH2 ))
       3.700     1.700     1.700 peak   236 spectrum    1 weight   .10000E+01 volume   .30958E-03 ppm1      1.631 ppm2      6.937 CV     1
  ASSI {  237}
    (( segid "    " and resid 22   and name HG3 ))
    (( segid "    " and resid 35   and name HZ3 ))
       3.300     1.400     1.400 peak   237 spectrum    1 weight   .10000E+01 volume   .59815E-03 ppm1      1.632 ppm2      7.014 CV     1
  ASSI {  238}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       3.200     1.300     1.300 peak   238 spectrum    1 weight   .10000E+01 volume   .72722E-03 ppm1      7.708 ppm2      8.852 CV     1
  ASSI {  239}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       3.000     1.100     1.100 peak   239 spectrum    1 weight   .10000E+01 volume   .97245E-03 ppm1      7.710 ppm2      7.511 CV     1
  ASSI {  240}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 21   and name HN  ))
       2.400      .700      .700 peak   240 spectrum    1 weight   .10000E+01 volume   .42585E-02 ppm1      7.707 ppm2      8.580 CV     1
  ASSI {  241}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       2.800     1.000     1.000 peak   241 spectrum    1 weight   .10000E+01 volume   .16600E-02 ppm1      5.079 ppm2      8.854 CV     1
  ASSI {  242}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       2.300      .700      .700 peak   242 spectrum    1 weight   .10000E+01 volume   .48272E-02 ppm1      5.079 ppm2      8.782 CV     1
  ASSI {  243}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
       2.600      .800      .800 peak   243 spectrum    1 weight   .10000E+01 volume   .24373E-02 ppm1      2.032 ppm2      8.782 CV     1
  ASSI {  244}
    (( segid "    " and resid 23   and name HB2 ))
    (  segid "    " and resid 25   and name HE% )
       2.800     1.000     1.000 peak   244 spectrum    1 weight   .10000E+01 volume   .15928E-02 ppm1      2.036 ppm2      7.195 CV     1
  ASSI {  245}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 25   and name HZ  ))
       2.900     1.000     1.000 peak   245 spectrum    1 weight   .10000E+01 volume   .13182E-02 ppm1      2.038 ppm2      7.243 CV     1
  ASSI {  246}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 24   and name HN  ))
       2.800     1.000     1.000 peak   246 spectrum    1 weight   .10000E+01 volume   .14850E-02 ppm1      1.634 ppm2      8.782 CV     1
  ASSI {  247}
    (( segid "    " and resid 23   and name HB3 ))
    (  segid "    " and resid 25   and name HE% )
       2.800      .900      .900 peak   247 spectrum    1 weight   .10000E+01 volume   .17277E-02 ppm1      1.641 ppm2      7.195 CV     1
  ASSI {  248}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 25   and name HZ  ))
       2.700      .900      .900 peak   248 spectrum    1 weight   .10000E+01 volume   .17748E-02 ppm1      1.641 ppm2      7.246 CV     1
  ASSI {  249}
    (( segid "    " and resid 23   and name HD2 ))
    (( segid "    " and resid 22   and name HN  ))
       3.600     1.600     1.600 peak   249 spectrum    1 weight   .10000E+01 volume   .37327E-03 ppm1      4.095 ppm2      7.707 CV     1
  ASSI {  250}
    (( segid "    " and resid 23   and name HD3 ))
    (( segid "    " and resid 22   and name HN  ))
       2.900     1.100     1.100 peak   250 spectrum    1 weight   .10000E+01 volume   .11777E-02 ppm1      3.816 ppm2      7.707 CV     1
  ASSI {  251}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       2.700      .900      .900 peak   251 spectrum    1 weight   .10000E+01 volume   .20314E-02 ppm1      4.724 ppm2      8.789 CV     1
  ASSI {  252}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       2.900     1.100     1.100 peak   252 spectrum    1 weight   .10000E+01 volume   .12342E-02 ppm1      4.723 ppm2      8.803 CV     1
  ASSI {  253}
    (( segid "    " and resid 24   and name HB2 ))
    (  segid "    " and resid 24   and name HD% )
       2.500      .800      .800 peak   253 spectrum    1 weight   .10000E+01 volume   .28808E-02 ppm1      2.518 ppm2      6.646 CV     1
  ASSI {  254}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 35   and name HE3 ))
       2.900     1.000     1.000 peak   254 spectrum    1 weight   .10000E+01 volume   .14057E-02 ppm1      2.518 ppm2      8.156 CV     1
  ASSI {  255}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 35   and name HZ3 ))
       3.000     1.100     1.100 peak   255 spectrum    1 weight   .10000E+01 volume   .11368E-02 ppm1      2.518 ppm2      7.015 CV     1
  ASSI {  256}
    (( segid "    " and resid 24   and name HB3 ))
    (  segid "    " and resid 24   and name HD% )
       2.500      .800      .800 peak   256 spectrum    1 weight   .10000E+01 volume   .30285E-02 ppm1      2.277 ppm2      6.646 CV     1
  ASSI {  257}
    (( segid "    " and resid 24   and name HB3 ))
    (  segid "    " and resid 24   and name HE% )
       3.400     1.500     1.500 peak   257 spectrum    1 weight   .10000E+01 volume   .46538E-03 ppm1      2.277 ppm2      6.780 CV     1
  ASSI {  258}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 24   and name HN  ))
       2.600      .900      .900 peak   258 spectrum    1 weight   .10000E+01 volume   .23806E-02 ppm1      2.276 ppm2      8.785 CV     1
  ASSI {  259}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 25   and name HN  ))
       2.600      .900      .900 peak   259 spectrum    1 weight   .10000E+01 volume   .22469E-02 ppm1      2.275 ppm2      8.798 CV     1
  ASSI {  260}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 35   and name HE3 ))
       2.900     1.000     1.000 peak   260 spectrum    1 weight   .10000E+01 volume   .13715E-02 ppm1      2.279 ppm2      8.157 CV     1
  ASSI {  261}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 35   and name HZ3 ))
       3.000     1.100     1.100 peak   261 spectrum    1 weight   .10000E+01 volume   .11161E-02 ppm1      2.276 ppm2      7.015 CV     1
  ASSI {  262}
    (  segid "    " and resid 24   and name HD% )
    (( segid "    " and resid 18   and name HN  ))
       2.800     1.000     1.000 peak   262 spectrum    1 weight   .10000E+01 volume   .15704E-02 ppm1      6.640 ppm2      8.855 CV     1
  ASSI {  263}
    (  segid "    " and resid 24   and name HD% )
    (  segid "    " and resid 24   and name HE% )
       1.900      .500      .500 peak   263 spectrum    1 weight   .10000E+01 volume   .14007E-01 ppm1      6.642 ppm2      6.787 CV     1
  ASSI {  264}
    (  segid "    " and resid 24   and name HD% )
    (( segid "    " and resid 24   and name HN  ))
       2.500      .800      .800 peak   264 spectrum    1 weight   .10000E+01 volume   .33164E-02 ppm1      6.641 ppm2      8.789 CV     1
  ASSI {  265}
    (  segid "    " and resid 24   and name HD% )
    (( segid "    " and resid 24   and name HZ  ))
       2.500      .800      .800 peak   265 spectrum    1 weight   .10000E+01 volume   .34513E-02 ppm1      6.642 ppm2      7.036 CV     1
  ASSI {  266}
    (  segid "    " and resid 24   and name HD% )
    (( segid "    " and resid 35   and name HE3 ))
       3.000     1.100     1.100 peak   266 spectrum    1 weight   .10000E+01 volume   .10569E-02 ppm1      6.643 ppm2      8.157 CV     1
  ASSI {  267}
    (  segid "    " and resid 24   and name HD% )
    (( segid "    " and resid 35   and name HH2 ))
       3.000     1.100     1.100 peak   267 spectrum    1 weight   .10000E+01 volume   .97919E-03 ppm1      6.644 ppm2      6.935 CV     1
  ASSI {  268}
    (  segid "    " and resid 24   and name HD% )
    (( segid "    " and resid 35   and name HZ3 ))
       2.800     1.000     1.000 peak   268 spectrum    1 weight   .10000E+01 volume   .16729E-02 ppm1      6.644 ppm2      7.015 CV     1
  ASSI {  269}
    (  segid "    " and resid 24   and name HE% )
    (( segid "    " and resid 18   and name HN  ))
       3.100     1.200     1.200 peak   269 spectrum    1 weight   .10000E+01 volume   .90862E-03 ppm1      6.784 ppm2      8.855 CV     1
  ASSI {  270}
    (  segid "    " and resid 24   and name HE% )
    (( segid "    " and resid 24   and name HN  ))
       3.100     1.200     1.200 peak   270 spectrum    1 weight   .10000E+01 volume   .92525E-03 ppm1      6.783 ppm2      8.789 CV     1
  ASSI {  271}
    (  segid "    " and resid 24   and name HE% )
    (( segid "    " and resid 24   and name HZ  ))
       1.900      .500      .500 peak   271 spectrum    1 weight   .10000E+01 volume   .14660E-01 ppm1      6.787 ppm2      7.036 CV     1
  ASSI {  272}
    (  segid "    " and resid 24   and name HE% )
    (( segid "    " and resid 35   and name HE3 ))
       3.300     1.400     1.400 peak   272 spectrum    1 weight   .10000E+01 volume   .59837E-03 ppm1      6.788 ppm2      8.157 CV     1
  ASSI {  273}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 13   and name HE3 ))
       3.200     1.300     1.300 peak   273 spectrum    1 weight   .10000E+01 volume   .64455E-03 ppm1      5.264 ppm2      7.280 CV     1
  ASSI {  274}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 13   and name HZ3 ))
       3.400     1.400     1.400 peak   274 spectrum    1 weight   .10000E+01 volume   .48425E-03 ppm1      5.264 ppm2      6.789 CV     1
  ASSI {  275}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       3.200     1.300     1.300 peak   275 spectrum    1 weight   .10000E+01 volume   .73257E-03 ppm1      5.261 ppm2      8.371 CV     1
  ASSI {  276}
    (( segid "    " and resid 25   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       2.600      .900      .900 peak   276 spectrum    1 weight   .10000E+01 volume   .23668E-02 ppm1      5.261 ppm2      7.028 CV     1
  ASSI {  277}
    (( segid "    " and resid 25   and name HA  ))
    (  segid "    " and resid 25   and name HE% )
       3.500     1.500     1.500 peak   277 spectrum    1 weight   .10000E+01 volume   .39667E-03 ppm1      5.266 ppm2      7.195 CV     1
  ASSI {  278}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       3.300     1.400     1.400 peak   278 spectrum    1 weight   .10000E+01 volume   .54323E-03 ppm1      5.265 ppm2      8.801 CV     1
  ASSI {  279}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       2.400      .700      .700 peak   279 spectrum    1 weight   .10000E+01 volume   .41105E-02 ppm1      5.261 ppm2      9.148 CV     1
  ASSI {  280}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 13   and name HE3 ))
       2.200      .600      .600 peak   280 spectrum    1 weight   .10000E+01 volume   .62008E-02 ppm1      3.161 ppm2      7.280 CV     1
  OR {  280}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 13   and name HE3 ))
  ASSI {  281}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 13   and name HH2 ))
       3.100     1.200     1.200 peak   281 spectrum    1 weight   .10000E+01 volume   .82762E-03 ppm1      3.160 ppm2      7.093 CV     1
  OR {  281}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 13   and name HH2 ))
  ASSI {  282}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 13   and name HZ3 ))
       2.400      .700      .700 peak   282 spectrum    1 weight   .10000E+01 volume   .41293E-02 ppm1      3.160 ppm2      6.786 CV     1
  OR {  282}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 13   and name HZ3 ))
  ASSI {  283}
    (( segid "    " and resid 25   and name HB2 ))
    (  segid "    " and resid 25   and name HD% )
       2.100      .500      .500 peak   283 spectrum    1 weight   .10000E+01 volume   .99461E-02 ppm1      3.160 ppm2      7.028 CV     1
  OR {  283}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 25   and name HD% )
  ASSI {  284}
    (( segid "    " and resid 25   and name HB2 ))
    (  segid "    " and resid 25   and name HE% )
       2.800     1.000     1.000 peak   284 spectrum    1 weight   .10000E+01 volume   .15917E-02 ppm1      3.161 ppm2      7.195 CV     1
  OR {  284}
    (( segid "    " and resid 25   and name HB3 ))
    (  segid "    " and resid 25   and name HE% )
  ASSI {  285}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 25   and name HN  ))
       2.600      .800      .800 peak   285 spectrum    1 weight   .10000E+01 volume   .27287E-02 ppm1      3.161 ppm2      8.796 CV     1
  OR {  285}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HN  ))
  ASSI {  286}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
       2.700      .900      .900 peak   286 spectrum    1 weight   .10000E+01 volume   .17737E-02 ppm1      3.162 ppm2      9.146 CV     1
  OR {  286}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  287}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
       3.100     1.200     1.200 peak   287 spectrum    1 weight   .10000E+01 volume   .79977E-03 ppm1      3.161 ppm2      9.184 CV     1
  OR {  287}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  288}
    (  segid "    " and resid 25   and name HD% )
    (  segid "    " and resid 25   and name HE% )
       1.900      .500      .500 peak   288 spectrum    1 weight   .10000E+01 volume   .16103E-01 ppm1      7.029 ppm2      7.195 CV     1
  ASSI {  289}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 25   and name HZ  ))
       2.300      .700      .700 peak   289 spectrum    1 weight   .10000E+01 volume   .46756E-02 ppm1      7.030 ppm2      7.244 CV     1
  ASSI {  290}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 26   and name HN  ))
       3.000     1.100     1.100 peak   290 spectrum    1 weight   .10000E+01 volume   .10212E-02 ppm1      7.027 ppm2      9.151 CV     1
  ASSI {  291}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 37   and name HN  ))
       2.900     1.100     1.100 peak   291 spectrum    1 weight   .10000E+01 volume   .12251E-02 ppm1      7.029 ppm2      8.135 CV     1
  ASSI {  292}
    (  segid "    " and resid 25   and name HE% )
    (( segid "    " and resid 24   and name HN  ))
       3.100     1.200     1.200 peak   292 spectrum    1 weight   .10000E+01 volume   .89207E-03 ppm1      7.190 ppm2      8.790 CV     1
  ASSI {  293}
    (  segid "    " and resid 25   and name HE% )
    (( segid "    " and resid 37   and name HN  ))
       2.900     1.100     1.100 peak   293 spectrum    1 weight   .10000E+01 volume   .12428E-02 ppm1      7.194 ppm2      8.137 CV     1
  ASSI {  294}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
       3.100     1.200     1.200 peak   294 spectrum    1 weight   .10000E+01 volume   .78001E-03 ppm1      8.795 ppm2      9.183 CV     1
  ASSI {  295}
    (( segid "    " and resid 25   and name HZ  ))
    (( segid "    " and resid 37   and name HN  ))
       3.200     1.200     1.200 peak   295 spectrum    1 weight   .10000E+01 volume   .76223E-03 ppm1      7.247 ppm2      8.135 CV     1
  ASSI {  296}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       3.200     1.300     1.300 peak   296 spectrum    1 weight   .10000E+01 volume   .69788E-03 ppm1      4.254 ppm2      9.150 CV     1
  ASSI {  297}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       2.400      .700      .700 peak   297 spectrum    1 weight   .10000E+01 volume   .38218E-02 ppm1      4.254 ppm2      8.176 CV     1
  ASSI {  298}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       3.400     1.500     1.500 peak   298 spectrum    1 weight   .10000E+01 volume   .47446E-03 ppm1      4.254 ppm2      9.182 CV     1
  ASSI {  299}
    (( segid "    " and resid 26   and name HB  ))
    (( segid "    " and resid 14   and name HN  ))
       3.000     1.100     1.100 peak   299 spectrum    1 weight   .10000E+01 volume   .10209E-02 ppm1      1.255 ppm2      9.328 CV     1
  ASSI {  300}
    (( segid "    " and resid 26   and name HB  ))
    (  segid "    " and resid 24   and name HE% )
       2.700      .900      .900 peak   300 spectrum    1 weight   .10000E+01 volume   .18353E-02 ppm1      1.269 ppm2      6.787 CV     1
  ASSI {  301}
    (( segid "    " and resid 26   and name HB  ))
    (( segid "    " and resid 26   and name HN  ))
       2.600      .900      .900 peak   301 spectrum    1 weight   .10000E+01 volume   .22000E-02 ppm1      1.255 ppm2      9.149 CV     1
  ASSI {  302}
    (( segid "    " and resid 26   and name HB  ))
    (( segid "    " and resid 28   and name HE1 ))
       3.100     1.200     1.200 peak   302 spectrum    1 weight   .10000E+01 volume   .88233E-03 ppm1      1.258 ppm2      8.301 CV     1
  ASSI {  303}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 14   and name HN  ))
       3.300     1.400     1.400 peak   303 spectrum    1 weight   .10000E+01 volume   .55028E-03 ppm1       .023 ppm2      9.327 CV     1
  ASSI {  304}
    (  segid "    " and resid 26   and name HD1%)
    (  segid "    " and resid 24   and name HD% )
       3.400     1.400     1.400 peak   304 spectrum    1 weight   .10000E+01 volume   .50877E-03 ppm1       .028 ppm2      6.646 CV     1
  ASSI {  305}
    (  segid "    " and resid 26   and name HD1%)
    (  segid "    " and resid 24   and name HE% )
       3.200     1.300     1.300 peak   305 spectrum    1 weight   .10000E+01 volume   .71735E-03 ppm1       .026 ppm2      6.788 CV     1
  ASSI {  306}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 26   and name HN  ))
       3.000     1.100     1.100 peak   306 spectrum    1 weight   .10000E+01 volume   .11088E-02 ppm1       .023 ppm2      9.150 CV     1
  ASSI {  307}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 27   and name HN  ))
       2.600      .800      .800 peak   307 spectrum    1 weight   .10000E+01 volume   .27314E-02 ppm1       .025 ppm2      8.174 CV     1
  ASSI {  308}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 28   and name HD2 ))
       2.500      .800      .800 peak   308 spectrum    1 weight   .10000E+01 volume   .28654E-02 ppm1       .025 ppm2      7.042 CV     1
  ASSI {  309}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 28   and name HE1 ))
       2.200      .600      .600 peak   309 spectrum    1 weight   .10000E+01 volume   .60458E-02 ppm1       .024 ppm2      8.303 CV     1
  ASSI {  310}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 28   and name HN  ))
       3.000     1.100     1.100 peak   310 spectrum    1 weight   .10000E+01 volume   .10804E-02 ppm1       .022 ppm2      8.765 CV     1
  ASSI {  311}
    (( segid "    " and resid 26   and name HG12))
    (  segid "    " and resid 24   and name HD% )
       2.900     1.100     1.100 peak   311 spectrum    1 weight   .10000E+01 volume   .12627E-02 ppm1      1.171 ppm2      6.648 CV     1
  ASSI {  312}
    (( segid "    " and resid 26   and name HG12))
    (  segid "    " and resid 24   and name HE% )
       2.900     1.000     1.000 peak   312 spectrum    1 weight   .10000E+01 volume   .13287E-02 ppm1      1.169 ppm2      6.786 CV     1
  ASSI {  313}
    (( segid "    " and resid 26   and name HG12))
    (( segid "    " and resid 26   and name HN  ))
       2.900     1.100     1.100 peak   313 spectrum    1 weight   .10000E+01 volume   .12599E-02 ppm1      1.165 ppm2      9.148 CV     1
  ASSI {  314}
    (( segid "    " and resid 26   and name HG13))
    (  segid "    " and resid 24   and name HD% )
       3.100     1.200     1.200 peak   314 spectrum    1 weight   .10000E+01 volume   .90929E-03 ppm1       .785 ppm2      6.646 CV     1
  ASSI {  315}
    (( segid "    " and resid 26   and name HG13))
    (  segid "    " and resid 24   and name HE% )
       2.800     1.000     1.000 peak   315 spectrum    1 weight   .10000E+01 volume   .14859E-02 ppm1       .784 ppm2      6.787 CV     1
  ASSI {  316}
    (( segid "    " and resid 26   and name HG13))
    (( segid "    " and resid 26   and name HN  ))
       3.100     1.200     1.200 peak   316 spectrum    1 weight   .10000E+01 volume   .86508E-03 ppm1       .785 ppm2      9.149 CV     1
  ASSI {  317}
    (( segid "    " and resid 26   and name HG13))
    (( segid "    " and resid 28   and name HE1 ))
       3.300     1.400     1.400 peak   317 spectrum    1 weight   .10000E+01 volume   .54763E-03 ppm1       .790 ppm2      8.301 CV     1
  ASSI {  318}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 14   and name HN  ))
       3.600     1.600     1.600 peak   318 spectrum    1 weight   .10000E+01 volume   .37415E-03 ppm1       .548 ppm2      9.331 CV     1
  ASSI {  319}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 16   and name HE  ))
       3.100     1.200     1.200 peak   319 spectrum    1 weight   .10000E+01 volume   .86779E-03 ppm1       .547 ppm2      7.054 CV     1
  ASSI {  320}
    (  segid "    " and resid 26   and name HG2%)
    (  segid "    " and resid 24   and name HD% )
       2.900     1.000     1.000 peak   320 spectrum    1 weight   .10000E+01 volume   .13730E-02 ppm1       .548 ppm2      6.646 CV     1
  ASSI {  321}
    (  segid "    " and resid 26   and name HG2%)
    (  segid "    " and resid 24   and name HE% )
       2.500      .800      .800 peak   321 spectrum    1 weight   .10000E+01 volume   .29926E-02 ppm1       .548 ppm2      6.787 CV     1
  ASSI {  322}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 26   and name HN  ))
       3.000     1.100     1.100 peak   322 spectrum    1 weight   .10000E+01 volume   .10431E-02 ppm1       .547 ppm2      9.150 CV     1
  ASSI {  323}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 27   and name HN  ))
       3.500     1.500     1.500 peak   323 spectrum    1 weight   .10000E+01 volume   .44007E-03 ppm1       .548 ppm2      8.172 CV     1
  ASSI {  324}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 28   and name HD2 ))
       2.700      .900      .900 peak   324 spectrum    1 weight   .10000E+01 volume   .17980E-02 ppm1       .547 ppm2      7.040 CV     1
  ASSI {  325}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 28   and name HE1 ))
       2.600      .800      .800 peak   325 spectrum    1 weight   .10000E+01 volume   .26234E-02 ppm1       .549 ppm2      8.303 CV     1
  ASSI {  326}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       2.800     1.000     1.000 peak   326 spectrum    1 weight   .10000E+01 volume   .14737E-02 ppm1      9.151 ppm2      9.326 CV     1
  ASSI {  327}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 13   and name HE3 ))
       3.600     1.700     1.700 peak   327 spectrum    1 weight   .10000E+01 volume   .32486E-03 ppm1      3.569 ppm2      7.281 CV     1
  ASSI {  328}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 13   and name HZ2 ))
       3.500     1.600     1.600 peak   328 spectrum    1 weight   .10000E+01 volume   .39091E-03 ppm1      3.566 ppm2      7.378 CV     1
  ASSI {  329}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       3.200     1.300     1.300 peak   329 spectrum    1 weight   .10000E+01 volume   .65931E-03 ppm1      3.569 ppm2      9.328 CV     1
  ASSI {  330}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       2.900     1.100     1.100 peak   330 spectrum    1 weight   .10000E+01 volume   .11503E-02 ppm1      3.569 ppm2      8.173 CV     1
  ASSI {  331}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 28   and name HD2 ))
       3.200     1.300     1.300 peak   331 spectrum    1 weight   .10000E+01 volume   .74447E-03 ppm1      3.569 ppm2      7.041 CV     1
  ASSI {  332}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       2.200      .600      .600 peak   332 spectrum    1 weight   .10000E+01 volume   .62967E-02 ppm1      3.567 ppm2      8.765 CV     1
  ASSI {  333}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       3.000     1.100     1.100 peak   333 spectrum    1 weight   .10000E+01 volume   .11187E-02 ppm1      3.567 ppm2      8.401 CV     1
  ASSI {  334}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.600     1.600     1.600 peak   334 spectrum    1 weight   .10000E+01 volume   .33701E-03 ppm1      1.997 ppm2     10.270 CV     1
  ASSI {  335}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 13   and name HE3 ))
       3.200     1.200     1.200 peak   335 spectrum    1 weight   .10000E+01 volume   .76749E-03 ppm1      1.997 ppm2      7.283 CV     1
  ASSI {  336}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 13   and name HZ2 ))
       2.800     1.000     1.000 peak   336 spectrum    1 weight   .10000E+01 volume   .15266E-02 ppm1      1.995 ppm2      7.373 CV     1
  ASSI {  337}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 27   and name HN  ))
       2.600      .800      .800 peak   337 spectrum    1 weight   .10000E+01 volume   .24042E-02 ppm1      1.995 ppm2      8.174 CV     1
  ASSI {  338}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
       3.000     1.200     1.200 peak   338 spectrum    1 weight   .10000E+01 volume   .95667E-03 ppm1      1.998 ppm2      8.767 CV     1
  ASSI {  339}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.700     1.700     1.700 peak   339 spectrum    1 weight   .10000E+01 volume   .28368E-03 ppm1       .099 ppm2     10.265 CV     1
  ASSI {  340}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 13   and name HH2 ))
       3.300     1.400     1.400 peak   340 spectrum    1 weight   .10000E+01 volume   .54438E-03 ppm1       .102 ppm2      7.092 CV     1
  ASSI {  341}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 13   and name HZ2 ))
       3.000     1.100     1.100 peak   341 spectrum    1 weight   .10000E+01 volume   .10479E-02 ppm1       .102 ppm2      7.374 CV     1
  ASSI {  342}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
       2.800     1.000     1.000 peak   342 spectrum    1 weight   .10000E+01 volume   .16475E-02 ppm1       .101 ppm2      8.174 CV     1
  ASSI {  343}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
       3.500     1.500     1.500 peak   343 spectrum    1 weight   .10000E+01 volume   .42671E-03 ppm1       .104 ppm2      8.765 CV     1
  ASSI {  344}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       2.800     1.000     1.000 peak   344 spectrum    1 weight   .10000E+01 volume   .15133E-02 ppm1      4.203 ppm2      8.766 CV     1
  ASSI {  345}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       3.200     1.300     1.300 peak   345 spectrum    1 weight   .10000E+01 volume   .71480E-03 ppm1      4.203 ppm2      8.402 CV     1
  ASSI {  346}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       3.200     1.300     1.300 peak   346 spectrum    1 weight   .10000E+01 volume   .71120E-03 ppm1      4.202 ppm2      7.920 CV     1
  ASSI {  347}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 28   and name HD2 ))
       2.500      .800      .800 peak   347 spectrum    1 weight   .10000E+01 volume   .34124E-02 ppm1      3.440 ppm2      7.042 CV     1
  ASSI {  348}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
       2.600      .800      .800 peak   348 spectrum    1 weight   .10000E+01 volume   .25589E-02 ppm1      3.437 ppm2      8.765 CV     1
  ASSI {  349}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 29   and name HN  ))
       3.200     1.300     1.300 peak   349 spectrum    1 weight   .10000E+01 volume   .69299E-03 ppm1      3.439 ppm2      8.400 CV     1
  ASSI {  350}
    (( segid "    " and resid 28   and name HB3 ))
    (( segid "    " and resid 28   and name HD2 ))
       2.400      .700      .700 peak   350 spectrum    1 weight   .10000E+01 volume   .37042E-02 ppm1      3.127 ppm2      7.042 CV     1
  ASSI {  351}
    (( segid "    " and resid 28   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
       2.600      .800      .800 peak   351 spectrum    1 weight   .10000E+01 volume   .25302E-02 ppm1      3.126 ppm2      8.765 CV     1
  ASSI {  352}
    (( segid "    " and resid 28   and name HB3 ))
    (( segid "    " and resid 29   and name HN  ))
       3.500     1.500     1.500 peak   352 spectrum    1 weight   .10000E+01 volume   .41625E-03 ppm1      3.126 ppm2      8.403 CV     1
  ASSI {  353}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 14   and name HN  ))
       3.000     1.100     1.100 peak   353 spectrum    1 weight   .10000E+01 volume   .10643E-02 ppm1      7.036 ppm2      9.324 CV     1
  ASSI {  354}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 28   and name HE1 ))
       2.900     1.100     1.100 peak   354 spectrum    1 weight   .10000E+01 volume   .12721E-02 ppm1      7.040 ppm2      8.302 CV     1
  ASSI {  355}
    (( segid "    " and resid 28   and name HD2 ))
    (( segid "    " and resid 28   and name HN  ))
       2.600      .800      .800 peak   355 spectrum    1 weight   .10000E+01 volume   .26890E-02 ppm1      7.036 ppm2      8.767 CV     1
  ASSI {  356}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HD21))
       2.900     1.100     1.100 peak   356 spectrum    1 weight   .10000E+01 volume   .11666E-02 ppm1      4.434 ppm2      8.015 CV     1
  ASSI {  357}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HD22))
       3.400     1.400     1.400 peak   357 spectrum    1 weight   .10000E+01 volume   .49745E-03 ppm1      4.436 ppm2      7.706 CV     1
  ASSI {  358}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.500      .800      .800 peak   358 spectrum    1 weight   .10000E+01 volume   .30118E-02 ppm1      4.436 ppm2      8.402 CV     1
  ASSI {  359}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       3.200     1.300     1.300 peak   359 spectrum    1 weight   .10000E+01 volume   .68821E-03 ppm1      4.437 ppm2      6.649 CV     1
  ASSI {  360}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 29   and name HD21))
       2.400      .700      .700 peak   360 spectrum    1 weight   .10000E+01 volume   .39307E-02 ppm1      3.218 ppm2      8.016 CV     1
  ASSI {  361}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 29   and name HD22))
       2.800     1.000     1.000 peak   361 spectrum    1 weight   .10000E+01 volume   .17025E-02 ppm1      3.218 ppm2      7.706 CV     1
  ASSI {  362}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 29   and name HN  ))
       2.400      .700      .700 peak   362 spectrum    1 weight   .10000E+01 volume   .35475E-02 ppm1      3.218 ppm2      8.402 CV     1
  ASSI {  363}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       3.000     1.100     1.100 peak   363 spectrum    1 weight   .10000E+01 volume   .10381E-02 ppm1      3.219 ppm2      6.651 CV     1
  ASSI {  364}
    (( segid "    " and resid 29   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       3.400     1.500     1.500 peak   364 spectrum    1 weight   .10000E+01 volume   .45462E-03 ppm1      3.219 ppm2      7.911 CV     1
  ASSI {  365}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 29   and name HD21))
       2.500      .800      .800 peak   365 spectrum    1 weight   .10000E+01 volume   .30894E-02 ppm1      2.697 ppm2      8.016 CV     1
  ASSI {  366}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 29   and name HD22))
       2.900     1.100     1.100 peak   366 spectrum    1 weight   .10000E+01 volume   .11825E-02 ppm1      2.698 ppm2      7.704 CV     1
  ASSI {  367}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 29   and name HN  ))
       2.500      .800      .800 peak   367 spectrum    1 weight   .10000E+01 volume   .31033E-02 ppm1      2.697 ppm2      8.402 CV     1
  ASSI {  368}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
       3.100     1.200     1.200 peak   368 spectrum    1 weight   .10000E+01 volume   .89484E-03 ppm1      2.695 ppm2      6.652 CV     1
  ASSI {  369}
    (( segid "    " and resid 29   and name HB3 ))
    (( segid "    " and resid 31   and name HN  ))
       3.500     1.500     1.500 peak   369 spectrum    1 weight   .10000E+01 volume   .44240E-03 ppm1      2.700 ppm2      7.914 CV     1
  ASSI {  370}
    (( segid "    " and resid 29   and name HD21))
    (( segid "    " and resid 13   and name HE1 ))
       2.900     1.100     1.100 peak   370 spectrum    1 weight   .10000E+01 volume   .12358E-02 ppm1      8.013 ppm2     10.268 CV     1
  ASSI {  371}
    (( segid "    " and resid 29   and name HD21))
    (( segid "    " and resid 29   and name HN  ))
       2.500      .800      .800 peak   371 spectrum    1 weight   .10000E+01 volume   .31464E-02 ppm1      8.013 ppm2      8.402 CV     1
  ASSI {  372}
    (( segid "    " and resid 29   and name HD22))
    (( segid "    " and resid 13   and name HE1 ))
       3.100     1.200     1.200 peak   372 spectrum    1 weight   .10000E+01 volume   .79726E-03 ppm1      7.702 ppm2     10.268 CV     1
  ASSI {  373}
    (( segid "    " and resid 29   and name HD22))
    (( segid "    " and resid 29   and name HD21))
       1.900      .500      .500 peak   373 spectrum    1 weight   .10000E+01 volume   .16101E-01 ppm1      7.704 ppm2      8.015 CV     1
  ASSI {  374}
    (( segid "    " and resid 29   and name HD22))
    (( segid "    " and resid 29   and name HN  ))
       2.800     1.000     1.000 peak   374 spectrum    1 weight   .10000E+01 volume   .15711E-02 ppm1      7.704 ppm2      8.402 CV     1
  ASSI {  375}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HN  ))
       2.400      .700      .700 peak   375 spectrum    1 weight   .10000E+01 volume   .35550E-02 ppm1      8.399 ppm2      8.766 CV     1
  ASSI {  376}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       2.800     1.000     1.000 peak   376 spectrum    1 weight   .10000E+01 volume   .16976E-02 ppm1      4.294 ppm2      7.918 CV     1
  ASSI {  377}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 29   and name HD21))
       3.100     1.200     1.200 peak   377 spectrum    1 weight   .10000E+01 volume   .85734E-03 ppm1      1.115 ppm2      8.017 CV     1
  ASSI {  378}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 29   and name HD22))
       3.700     1.700     1.700 peak   378 spectrum    1 weight   .10000E+01 volume   .29960E-03 ppm1      1.112 ppm2      7.706 CV     1
  ASSI {  379}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 29   and name HN  ))
       3.000     1.100     1.100 peak   379 spectrum    1 weight   .10000E+01 volume   .11319E-02 ppm1      1.113 ppm2      8.402 CV     1
  ASSI {  380}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 29   and name HD21))
       3.300     1.300     1.300 peak   380 spectrum    1 weight   .10000E+01 volume   .61848E-03 ppm1      6.645 ppm2      8.014 CV     1
  ASSI {  381}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       2.500      .800      .800 peak   381 spectrum    1 weight   .10000E+01 volume   .29423E-02 ppm1      6.646 ppm2      8.402 CV     1
  ASSI {  382}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       2.400      .700      .700 peak   382 spectrum    1 weight   .10000E+01 volume   .40008E-02 ppm1      6.647 ppm2      7.918 CV     1
  ASSI {  383}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       3.200     1.200     1.200 peak   383 spectrum    1 weight   .10000E+01 volume   .76766E-03 ppm1      3.722 ppm2      6.649 CV     1
  ASSI {  384}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       2.200      .600      .600 peak   384 spectrum    1 weight   .10000E+01 volume   .74158E-02 ppm1      3.717 ppm2      7.916 CV     1
  ASSI {  385}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       2.900     1.000     1.000 peak   385 spectrum    1 weight   .10000E+01 volume   .13586E-02 ppm1      2.063 ppm2      7.919 CV     1
  ASSI {  386}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
       3.100     1.200     1.200 peak   386 spectrum    1 weight   .10000E+01 volume   .85607E-03 ppm1      1.806 ppm2      7.368 CV     1
  ASSI {  387}
    (( segid "    " and resid 31   and name HD2 ))
    (( segid "    " and resid 31   and name HN  ))
       3.100     1.200     1.200 peak   387 spectrum    1 weight   .10000E+01 volume   .77624E-03 ppm1      1.595 ppm2      7.921 CV     1
  OR {  387}
    (( segid "    " and resid 31   and name HD3 ))
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  388}
    (( segid "    " and resid 31   and name HG3 ))
    (( segid "    " and resid 31   and name HN  ))
       2.500      .800      .800 peak   388 spectrum    1 weight   .10000E+01 volume   .30551E-02 ppm1      1.272 ppm2      7.918 CV     1
  OR {  388}
    (( segid "    " and resid 31   and name HG2 ))
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  389}
    (( segid "    " and resid 31   and name HG3 ))
    (( segid "    " and resid 32   and name HN  ))
       3.300     1.300     1.300 peak   389 spectrum    1 weight   .10000E+01 volume   .60521E-03 ppm1      1.271 ppm2      7.373 CV     1
  OR {  389}
    (( segid "    " and resid 31   and name HG2 ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  390}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 29   and name HN  ))
       2.800     1.000     1.000 peak   390 spectrum    1 weight   .10000E+01 volume   .15139E-02 ppm1      7.914 ppm2      8.401 CV     1
  ASSI {  391}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       3.700     1.700     1.700 peak   391 spectrum    1 weight   .10000E+01 volume   .29328E-03 ppm1      4.590 ppm2      7.372 CV     1
  ASSI {  392}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       3.100     1.200     1.200 peak   392 spectrum    1 weight   .10000E+01 volume   .81692E-03 ppm1      4.590 ppm2      8.234 CV     1
  ASSI {  393}
    (( segid "    " and resid 32   and name HB  ))
    (( segid "    " and resid 32   and name HN  ))
       2.800     1.000     1.000 peak   393 spectrum    1 weight   .10000E+01 volume   .15123E-02 ppm1      3.950 ppm2      7.371 CV     1
  ASSI {  394}
    (( segid "    " and resid 32   and name HB  ))
    (( segid "    " and resid 33   and name HN  ))
       2.400      .700      .700 peak   394 spectrum    1 weight   .10000E+01 volume   .39145E-02 ppm1      3.947 ppm2      8.234 CV     1
  ASSI {  395}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 33   and name HN  ))
       2.400      .800      .800 peak   395 spectrum    1 weight   .10000E+01 volume   .34947E-02 ppm1      1.092 ppm2      8.235 CV     1
  ASSI {  396}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 27   and name HN  ))
       3.000     1.100     1.100 peak   396 spectrum    1 weight   .10000E+01 volume   .10925E-02 ppm1      7.370 ppm2      8.173 CV     1
  ASSI {  397}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       2.500      .800      .800 peak   397 spectrum    1 weight   .10000E+01 volume   .29848E-02 ppm1      7.371 ppm2      7.919 CV     1
  ASSI {  398}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       3.100     1.200     1.200 peak   398 spectrum    1 weight   .10000E+01 volume   .86795E-03 ppm1      5.159 ppm2      8.175 CV     1
  ASSI {  399}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       3.100     1.200     1.200 peak   399 spectrum    1 weight   .10000E+01 volume   .90339E-03 ppm1      5.158 ppm2      8.234 CV     1
  ASSI {  400}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       2.600      .900      .900 peak   400 spectrum    1 weight   .10000E+01 volume   .23409E-02 ppm1      5.158 ppm2      9.184 CV     1
  ASSI {  401}
    (( segid "    " and resid 33   and name HB  ))
    (  segid "    " and resid 24   and name HD% )
       2.800     1.000     1.000 peak   401 spectrum    1 weight   .10000E+01 volume   .14493E-02 ppm1      3.829 ppm2      6.645 CV     1
  ASSI {  402}
    (( segid "    " and resid 33   and name HB  ))
    (  segid "    " and resid 24   and name HE% )
       3.200     1.200     1.200 peak   402 spectrum    1 weight   .10000E+01 volume   .75731E-03 ppm1      3.828 ppm2      6.787 CV     1
  ASSI {  403}
    (( segid "    " and resid 33   and name HB  ))
    (( segid "    " and resid 33   and name HN  ))
       2.900     1.000     1.000 peak   403 spectrum    1 weight   .10000E+01 volume   .13254E-02 ppm1      3.827 ppm2      8.235 CV     1
  ASSI {  404}
    (( segid "    " and resid 33   and name HB  ))
    (( segid "    " and resid 34   and name HN  ))
       2.800     1.000     1.000 peak   404 spectrum    1 weight   .10000E+01 volume   .16196E-02 ppm1      3.828 ppm2      9.182 CV     1
  ASSI {  405}
    (  segid "    " and resid 33   and name HG2%)
    (  segid "    " and resid 24   and name HD% )
       2.400      .700      .700 peak   405 spectrum    1 weight   .10000E+01 volume   .38886E-02 ppm1       .974 ppm2      6.646 CV     1
  ASSI {  406}
    (  segid "    " and resid 33   and name HG2%)
    (  segid "    " and resid 24   and name HE% )
       2.400      .700      .700 peak   406 spectrum    1 weight   .10000E+01 volume   .36361E-02 ppm1       .974 ppm2      6.787 CV     1
  ASSI {  407}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 24   and name HZ  ))
       3.000     1.100     1.100 peak   407 spectrum    1 weight   .10000E+01 volume   .10219E-02 ppm1       .974 ppm2      7.038 CV     1
  ASSI {  408}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 25   and name HN  ))
       3.300     1.300     1.300 peak   408 spectrum    1 weight   .10000E+01 volume   .60527E-03 ppm1       .972 ppm2      8.793 CV     1
  ASSI {  409}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 26   and name HN  ))
       3.300     1.300     1.300 peak   409 spectrum    1 weight   .10000E+01 volume   .62694E-03 ppm1       .973 ppm2      9.150 CV     1
  ASSI {  410}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 27   and name HN  ))
       2.900     1.100     1.100 peak   410 spectrum    1 weight   .10000E+01 volume   .11971E-02 ppm1       .973 ppm2      8.174 CV     1
  ASSI {  411}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 33   and name HN  ))
       2.700      .900      .900 peak   411 spectrum    1 weight   .10000E+01 volume   .19099E-02 ppm1       .973 ppm2      8.234 CV     1
  ASSI {  412}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 34   and name HN  ))
       2.700      .900      .900 peak   412 spectrum    1 weight   .10000E+01 volume   .19053E-02 ppm1       .973 ppm2      9.185 CV     1
  ASSI {  413}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       3.500     1.500     1.500 peak   413 spectrum    1 weight   .10000E+01 volume   .40435E-03 ppm1      4.835 ppm2      9.185 CV     1
  ASSI {  414}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       3.000     1.100     1.100 peak   414 spectrum    1 weight   .10000E+01 volume   .99551E-03 ppm1      4.836 ppm2      8.668 CV     1
  ASSI {  415}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 13   and name HZ3 ))
       3.100     1.200     1.200 peak   415 spectrum    1 weight   .10000E+01 volume   .87786E-03 ppm1      4.335 ppm2      6.787 CV     1
  ASSI {  416}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 34   and name HN  ))
       3.100     1.200     1.200 peak   416 spectrum    1 weight   .10000E+01 volume   .78230E-03 ppm1      4.339 ppm2      9.185 CV     1
  ASSI {  417}
    (( segid "    " and resid 34   and name HB  ))
    (( segid "    " and resid 35   and name HN  ))
       2.900     1.000     1.000 peak   417 spectrum    1 weight   .10000E+01 volume   .12946E-02 ppm1      4.338 ppm2      8.667 CV     1
  ASSI {  418}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 13   and name HE3 ))
       2.700      .900      .900 peak   418 spectrum    1 weight   .10000E+01 volume   .20487E-02 ppm1      1.532 ppm2      7.280 CV     1
  ASSI {  419}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 13   and name HH2 ))
       2.300      .700      .700 peak   419 spectrum    1 weight   .10000E+01 volume   .50137E-02 ppm1      1.531 ppm2      7.093 CV     1
  ASSI {  420}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 13   and name HZ2 ))
       2.800     1.000     1.000 peak   420 spectrum    1 weight   .10000E+01 volume   .16801E-02 ppm1      1.532 ppm2      7.374 CV     1
  ASSI {  421}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 13   and name HZ3 ))
       2.200      .600      .600 peak   421 spectrum    1 weight   .10000E+01 volume   .67834E-02 ppm1      1.533 ppm2      6.786 CV     1
  ASSI {  422}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 25   and name HN  ))
       2.900     1.100     1.100 peak   422 spectrum    1 weight   .10000E+01 volume   .11781E-02 ppm1      1.530 ppm2      8.798 CV     1
  ASSI {  423}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 34   and name HN  ))
       2.400      .700      .700 peak   423 spectrum    1 weight   .10000E+01 volume   .37495E-02 ppm1      1.530 ppm2      9.184 CV     1
  ASSI {  424}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 35   and name HN  ))
       2.700      .900      .900 peak   424 spectrum    1 weight   .10000E+01 volume   .18619E-02 ppm1      1.530 ppm2      8.668 CV     1
  ASSI {  425}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 36   and name HN  ))
       2.500      .800      .800 peak   425 spectrum    1 weight   .10000E+01 volume   .34514E-02 ppm1      1.531 ppm2      8.681 CV     1
  ASSI {  426}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 24   and name HD% )
       3.200     1.300     1.300 peak   426 spectrum    1 weight   .10000E+01 volume   .75095E-03 ppm1      5.070 ppm2      6.645 CV     1
  ASSI {  427}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 25   and name HD% )
       2.900     1.100     1.100 peak   427 spectrum    1 weight   .10000E+01 volume   .12738E-02 ppm1      5.069 ppm2      7.028 CV     1
  ASSI {  428}
    (( segid "    " and resid 35   and name HA  ))
    (  segid "    " and resid 25   and name HE% )
       3.600     1.600     1.600 peak   428 spectrum    1 weight   .10000E+01 volume   .34458E-03 ppm1      5.072 ppm2      7.196 CV     1
  ASSI {  429}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       3.000     1.100     1.100 peak   429 spectrum    1 weight   .10000E+01 volume   .11396E-02 ppm1      5.067 ppm2      8.800 CV     1
  ASSI {  430}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HD1 ))
       3.000     1.100     1.100 peak   430 spectrum    1 weight   .10000E+01 volume   .11356E-02 ppm1      5.069 ppm2      7.370 CV     1
  ASSI {  431}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HE3 ))
       2.600      .800      .800 peak   431 spectrum    1 weight   .10000E+01 volume   .26151E-02 ppm1      5.070 ppm2      8.156 CV     1
  ASSI {  432}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       2.900     1.100     1.100 peak   432 spectrum    1 weight   .10000E+01 volume   .11578E-02 ppm1      5.067 ppm2      8.667 CV     1
  ASSI {  433}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HZ3 ))
       3.100     1.200     1.200 peak   433 spectrum    1 weight   .10000E+01 volume   .84677E-03 ppm1      5.069 ppm2      7.014 CV     1
  ASSI {  434}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       3.000     1.100     1.100 peak   434 spectrum    1 weight   .10000E+01 volume   .10369E-02 ppm1      5.067 ppm2      8.684 CV     1
  ASSI {  435}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HE1 ))
       4.000     2.000     2.000 peak   435 spectrum    1 weight   .10000E+01 volume   .17317E-03 ppm1      3.710 ppm2     10.000 CV     1
  ASSI {  436}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HE3 ))
       2.700      .900      .900 peak   436 spectrum    1 weight   .10000E+01 volume   .19994E-02 ppm1      3.707 ppm2      8.157 CV     1
  ASSI {  437}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       2.700      .900      .900 peak   437 spectrum    1 weight   .10000E+01 volume   .19055E-02 ppm1      3.710 ppm2      8.666 CV     1
  ASSI {  438}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       3.100     1.200     1.200 peak   438 spectrum    1 weight   .10000E+01 volume   .84370E-03 ppm1      3.711 ppm2      8.685 CV     1
  ASSI {  439}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HD1 ))
       2.200      .600      .600 peak   439 spectrum    1 weight   .10000E+01 volume   .72499E-02 ppm1      3.151 ppm2      7.370 CV     1
  ASSI {  440}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HE1 ))
       3.300     1.300     1.300 peak   440 spectrum    1 weight   .10000E+01 volume   .62796E-03 ppm1      3.151 ppm2     10.003 CV     1
  ASSI {  441}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HE3 ))
       2.900     1.000     1.000 peak   441 spectrum    1 weight   .10000E+01 volume   .13044E-02 ppm1      3.151 ppm2      8.157 CV     1
  ASSI {  442}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HN  ))
       2.600      .800      .800 peak   442 spectrum    1 weight   .10000E+01 volume   .25006E-02 ppm1      3.150 ppm2      8.667 CV     1
  ASSI {  443}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 36   and name HN  ))
       2.800     1.000     1.000 peak   443 spectrum    1 weight   .10000E+01 volume   .14282E-02 ppm1      3.151 ppm2      8.685 CV     1
  ASSI {  444}
    (( segid "    " and resid 35   and name HD1 ))
    (( segid "    " and resid 35   and name HE1 ))
       2.000      .500      .500 peak   444 spectrum    1 weight   .10000E+01 volume   .13682E-01 ppm1      7.367 ppm2     10.002 CV     1
  ASSI {  445}
    (( segid "    " and resid 35   and name HD1 ))
    (( segid "    " and resid 35   and name HN  ))
       2.700      .900      .900 peak   445 spectrum    1 weight   .10000E+01 volume   .18064E-02 ppm1      7.368 ppm2      8.667 CV     1
  ASSI {  446}
    (( segid "    " and resid 35   and name HE3 ))
    (( segid "    " and resid 24   and name HN  ))
       3.200     1.300     1.300 peak   446 spectrum    1 weight   .10000E+01 volume   .74390E-03 ppm1      8.156 ppm2      8.787 CV     1
  ASSI {  447}
    (( segid "    " and resid 35   and name HH2 ))
    (( segid "    " and resid 35   and name HE3 ))
       2.900     1.000     1.000 peak   447 spectrum    1 weight   .10000E+01 volume   .13339E-02 ppm1      6.936 ppm2      8.155 CV     1
  ASSI {  448}
    (( segid "    " and resid 35   and name HH2 ))
    (( segid "    " and resid 35   and name HZ2 ))
       2.100      .500      .500 peak   448 spectrum    1 weight   .10000E+01 volume   .91366E-02 ppm1      6.933 ppm2      7.296 CV     1
  ASSI {  449}
    (( segid "    " and resid 35   and name HH2 ))
    (( segid "    " and resid 35   and name HZ3 ))
       2.100      .600      .600 peak   449 spectrum    1 weight   .10000E+01 volume   .78640E-02 ppm1      6.933 ppm2      7.014 CV     1
  ASSI {  450}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 35   and name HE1 ))
       3.400     1.400     1.400 peak   450 spectrum    1 weight   .10000E+01 volume   .48578E-03 ppm1      8.669 ppm2     10.003 CV     1
  ASSI {  451}
    (( segid "    " and resid 35   and name HZ2 ))
    (( segid "    " and resid 35   and name HE1 ))
       2.300      .600      .600 peak   451 spectrum    1 weight   .10000E+01 volume   .55027E-02 ppm1      7.292 ppm2     10.002 CV     1
  ASSI {  452}
    (( segid "    " and resid 35   and name HZ3 ))
    (( segid "    " and resid 35   and name HE3 ))
       2.200      .600      .600 peak   452 spectrum    1 weight   .10000E+01 volume   .63231E-02 ppm1      7.009 ppm2      8.155 CV     1
  ASSI {  453}
    (( segid "    " and resid 35   and name HZ3 ))
    (( segid "    " and resid 35   and name HZ2 ))
       2.600      .800      .800 peak   453 spectrum    1 weight   .10000E+01 volume   .26782E-02 ppm1      7.014 ppm2      7.294 CV     1
  ASSI {  454}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       2.700      .900      .900 peak   454 spectrum    1 weight   .10000E+01 volume   .17778E-02 ppm1      4.316 ppm2      8.686 CV     1
  ASSI {  455}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       2.700      .900      .900 peak   455 spectrum    1 weight   .10000E+01 volume   .18583E-02 ppm1      2.236 ppm2      8.684 CV     1
  ASSI {  456}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 37   and name HN  ))
       3.000     1.100     1.100 peak   456 spectrum    1 weight   .10000E+01 volume   .11075E-02 ppm1      2.237 ppm2      8.135 CV     1
  ASSI {  457}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 36   and name HN  ))
       2.800     1.000     1.000 peak   457 spectrum    1 weight   .10000E+01 volume   .14313E-02 ppm1      2.136 ppm2      8.684 CV     1
  ASSI {  458}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
       3.000     1.100     1.100 peak   458 spectrum    1 weight   .10000E+01 volume   .10686E-02 ppm1      2.138 ppm2      8.135 CV     1
  ASSI {  459}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 35   and name HD1 ))
       3.000     1.100     1.100 peak   459 spectrum    1 weight   .10000E+01 volume   .10404E-02 ppm1      1.897 ppm2      7.369 CV     1
  OR {  459}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 35   and name HD1 ))
  ASSI {  460}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 35   and name HE1 ))
       3.100     1.200     1.200 peak   460 spectrum    1 weight   .10000E+01 volume   .80904E-03 ppm1      1.894 ppm2     10.000 CV     1
  OR {  460}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 35   and name HE1 ))
  ASSI {  461}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 36   and name HN  ))
       2.300      .600      .600 peak   461 spectrum    1 weight   .10000E+01 volume   .55020E-02 ppm1      1.890 ppm2      8.684 CV     1
  OR {  461}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 36   and name HN  ))
  ASSI {  462}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 37   and name HN  ))
       2.400      .700      .700 peak   462 spectrum    1 weight   .10000E+01 volume   .38482E-02 ppm1      1.892 ppm2      8.135 CV     1
  OR {  462}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 37   and name HN  ))
  ASSI {  463}
    (( segid "    " and resid 37   and name HA  ))
    (  segid "    " and resid 25   and name HE% )
       2.900     1.100     1.100 peak   463 spectrum    1 weight   .10000E+01 volume   .11586E-02 ppm1      2.831 ppm2      7.195 CV     1
  ASSI {  464}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 25   and name HZ  ))
       3.300     1.400     1.400 peak   464 spectrum    1 weight   .10000E+01 volume   .59198E-03 ppm1      2.832 ppm2      7.243 CV     1
  ASSI {  465}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       2.700      .900      .900 peak   465 spectrum    1 weight   .10000E+01 volume   .18285E-02 ppm1      2.826 ppm2      8.136 CV     1
  ASSI {  466}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       3.300     1.400     1.400 peak   466 spectrum    1 weight   .10000E+01 volume   .55670E-03 ppm1      2.826 ppm2      8.279 CV     1
  ASSI {  467}
    (( segid "    " and resid 37   and name HB2 ))
    (  segid "    " and resid 25   and name HE% )
       2.800     1.000     1.000 peak   467 spectrum    1 weight   .10000E+01 volume   .14104E-02 ppm1      2.618 ppm2      7.193 CV     1
  ASSI {  468}
    (( segid "    " and resid 37   and name HB2 ))
    (( segid "    " and resid 25   and name HZ  ))
       2.900     1.000     1.000 peak   468 spectrum    1 weight   .10000E+01 volume   .13042E-02 ppm1      2.618 ppm2      7.245 CV     1
  ASSI {  469}
    (( segid "    " and resid 37   and name HB2 ))
    (( segid "    " and resid 37   and name HN  ))
       2.200      .600      .600 peak   469 spectrum    1 weight   .10000E+01 volume   .61223E-02 ppm1      2.619 ppm2      8.136 CV     1
  ASSI {  470}
    (( segid "    " and resid 37   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.200     1.300     1.300 peak   470 spectrum    1 weight   .10000E+01 volume   .68139E-03 ppm1      2.620 ppm2      8.279 CV     1
  ASSI {  471}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
       2.200      .600      .600 peak   471 spectrum    1 weight   .10000E+01 volume   .75629E-02 ppm1      2.288 ppm2      8.135 CV     1
  ASSI {  472}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
       3.500     1.600     1.600 peak   472 spectrum    1 weight   .10000E+01 volume   .39518E-03 ppm1      2.289 ppm2      8.278 CV     1
  ASSI {  473}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 36   and name HN  ))
       3.000     1.100     1.100 peak   473 spectrum    1 weight   .10000E+01 volume   .10100E-02 ppm1      8.139 ppm2      8.682 CV     1
  ASSI {  474}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       2.700      .900      .900 peak   474 spectrum    1 weight   .10000E+01 volume   .17625E-02 ppm1      3.964 ppm2      8.278 CV     1
  ASSI {  475}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       3.200     1.300     1.300 peak   475 spectrum    1 weight   .10000E+01 volume   .64627E-03 ppm1      3.965 ppm2      7.246 CV     1
  ASSI {  476}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 13   and name HE1 ))
       3.500     1.600     1.600 peak   476 spectrum    1 weight   .10000E+01 volume   .38532E-03 ppm1       .955 ppm2     10.265 CV     1
  OR {  476}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 13   and name HE1 ))
  ASSI {  477}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 13   and name HH2 ))
       3.100     1.200     1.200 peak   477 spectrum    1 weight   .10000E+01 volume   .87750E-03 ppm1       .959 ppm2      7.095 CV     1
  OR {  477}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 13   and name HH2 ))
  ASSI {  478}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 13   and name HZ2 ))
       3.000     1.100     1.100 peak   478 spectrum    1 weight   .10000E+01 volume   .97763E-03 ppm1       .963 ppm2      7.375 CV     1
  OR {  478}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 13   and name HZ2 ))
  ASSI {  479}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
       3.100     1.200     1.200 peak   479 spectrum    1 weight   .10000E+01 volume   .86607E-03 ppm1       .956 ppm2      8.277 CV     1
  OR {  479}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  480}
    (( segid "    " and resid 38   and name HD2 ))
    (  segid "    " and resid 25   and name HD% )
       3.400     1.400     1.400 peak   480 spectrum    1 weight   .10000E+01 volume   .51599E-03 ppm1      2.735 ppm2      7.027 CV     1
  ASSI {  481}
    (( segid "    " and resid 38   and name HD2 ))
    (  segid "    " and resid 25   and name HE% )
       3.400     1.400     1.400 peak   481 spectrum    1 weight   .10000E+01 volume   .50217E-03 ppm1      2.735 ppm2      7.194 CV     1
  ASSI {  482}
    (( segid "    " and resid 38   and name HD2 ))
    (( segid "    " and resid 37   and name HN  ))
       3.300     1.300     1.300 peak   482 spectrum    1 weight   .10000E+01 volume   .61769E-03 ppm1      2.734 ppm2      8.135 CV     1
  ASSI {  483}
    (( segid "    " and resid 38   and name HD2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.100     1.200     1.200 peak   483 spectrum    1 weight   .10000E+01 volume   .86770E-03 ppm1      2.736 ppm2      8.279 CV     1
  ASSI {  484}
    (( segid "    " and resid 38   and name HD3 ))
    (  segid "    " and resid 25   and name HD% )
       3.200     1.300     1.300 peak   484 spectrum    1 weight   .10000E+01 volume   .74969E-03 ppm1      2.696 ppm2      7.027 CV     1
  ASSI {  485}
    (( segid "    " and resid 38   and name HD3 ))
    (  segid "    " and resid 25   and name HE% )
       3.200     1.300     1.300 peak   485 spectrum    1 weight   .10000E+01 volume   .69623E-03 ppm1      2.695 ppm2      7.194 CV     1
  ASSI {  486}
    (( segid "    " and resid 38   and name HD3 ))
    (( segid "    " and resid 39   and name HN  ))
       3.000     1.100     1.100 peak   486 spectrum    1 weight   .10000E+01 volume   .99801E-03 ppm1      2.696 ppm2      8.279 CV     1
  ASSI {  487}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 13   and name HE3 ))
       3.300     1.300     1.300 peak   487 spectrum    1 weight   .10000E+01 volume   .62635E-03 ppm1       .638 ppm2      7.280 CV     1
  ASSI {  488}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.000     1.100     1.100 peak   488 spectrum    1 weight   .10000E+01 volume   .10694E-02 ppm1       .630 ppm2      8.277 CV     1
  ASSI {  489}
    (( segid "    " and resid 38   and name HG3 ))
    (( segid "    " and resid 13   and name HE3 ))
       3.200     1.300     1.300 peak   489 spectrum    1 weight   .10000E+01 volume   .65861E-03 ppm1       .322 ppm2      7.281 CV     1
  ASSI {  490}
    (( segid "    " and resid 38   and name HG3 ))
    (( segid "    " and resid 39   and name HN  ))
       3.200     1.300     1.300 peak   490 spectrum    1 weight   .10000E+01 volume   .68685E-03 ppm1       .326 ppm2      8.277 CV     1
  ASSI {  491}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HE  ))
       3.300     1.400     1.400 peak   491 spectrum    1 weight   .10000E+01 volume   .58554E-03 ppm1      3.899 ppm2      8.725 CV     1
  ASSI {  492}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       2.500      .800      .800 peak   492 spectrum    1 weight   .10000E+01 volume   .30034E-02 ppm1      3.900 ppm2      8.278 CV     1
  ASSI {  493}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       2.800     1.000     1.000 peak   493 spectrum    1 weight   .10000E+01 volume   .16737E-02 ppm1      3.901 ppm2      7.245 CV     1
  ASSI {  494}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HE  ))
       2.700      .900      .900 peak   494 spectrum    1 weight   .10000E+01 volume   .18970E-02 ppm1      1.557 ppm2      8.726 CV     1
  ASSI {  495}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       2.400      .700      .700 peak   495 spectrum    1 weight   .10000E+01 volume   .38432E-02 ppm1      1.565 ppm2      8.278 CV     1
  ASSI {  496}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 39   and name HE  ))
       2.900     1.000     1.000 peak   496 spectrum    1 weight   .10000E+01 volume   .13445E-02 ppm1      1.182 ppm2      8.726 CV     1
  ASSI {  497}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
       2.500      .800      .800 peak   497 spectrum    1 weight   .10000E+01 volume   .29085E-02 ppm1      1.184 ppm2      8.278 CV     1
  ASSI {  498}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 39   and name HE  ))
       2.600      .900      .900 peak   498 spectrum    1 weight   .10000E+01 volume   .23945E-02 ppm1      2.939 ppm2      8.724 CV     1
  OR {  498}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HE  ))
  ASSI {  499}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HH12))
       3.000     1.100     1.100 peak   499 spectrum    1 weight   .10000E+01 volume   .10939E-02 ppm1      2.937 ppm2      6.683 CV     1
  OR {  499}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 39   and name HH12))
  OR {  499}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HH11))
  OR {  499}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HH22))
  OR {  499}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 39   and name HH11))
  OR {  499}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 39   and name HH22))
  OR {  499}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HH21))
  OR {  499}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 39   and name HH21))
  ASSI {  500}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 39   and name HN  ))
       2.800     1.000     1.000 peak   500 spectrum    1 weight   .10000E+01 volume   .16349E-02 ppm1      2.941 ppm2      8.278 CV     1
  OR {  500}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  501}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HE  ))
       2.800     1.000     1.000 peak   501 spectrum    1 weight   .10000E+01 volume   .15518E-02 ppm1      1.794 ppm2      8.726 CV     1
  ASSI {  502}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HN  ))
       2.600      .800      .800 peak   502 spectrum    1 weight   .10000E+01 volume   .26904E-02 ppm1      1.794 ppm2      8.278 CV     1
  ASSI {  503}
    (( segid "    " and resid 39   and name HG3 ))
    (( segid "    " and resid 39   and name HE  ))
       2.800     1.000     1.000 peak   503 spectrum    1 weight   .10000E+01 volume   .14633E-02 ppm1      1.648 ppm2      8.727 CV     1
  ASSI {  504}
    (( segid "    " and resid 39   and name HG3 ))
    (( segid "    " and resid 39   and name HN  ))
       2.600      .800      .800 peak   504 spectrum    1 weight   .10000E+01 volume   .24943E-02 ppm1      1.647 ppm2      8.280 CV     1
  ASSI {  505}
    (( segid "    " and resid 39   and name HH22))
    (( segid "    " and resid 39   and name HE  ))
       3.200     1.300     1.300 peak   505 spectrum    1 weight   .10000E+01 volume   .71344E-03 ppm1      6.682 ppm2      8.724 CV     1
  OR {  505}
    (( segid "    " and resid 39   and name HH21))
    (( segid "    " and resid 39   and name HE  ))
  OR {  505}
    (( segid "    " and resid 39   and name HH12))
    (( segid "    " and resid 39   and name HE  ))
  OR {  505}
    (( segid "    " and resid 39   and name HH11))
    (( segid "    " and resid 39   and name HE  ))
  ASSI {  506}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 39   and name HE  ))
       2.900     1.100     1.100 peak   506 spectrum    1 weight   .10000E+01 volume   .11702E-02 ppm1      8.276 ppm2      8.724 CV     1
  ASSI {  507}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       2.700      .900      .900 peak   507 spectrum    1 weight   .10000E+01 volume   .17582E-02 ppm1      4.267 ppm2      7.245 CV     1
  ASSI {  508}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       2.700      .900      .900 peak   508 spectrum    1 weight   .10000E+01 volume   .18507E-02 ppm1      4.267 ppm2      7.205 CV     1
  ASSI {  509}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HN  ))
       2.200      .600      .600 peak   509 spectrum    1 weight   .10000E+01 volume   .66959E-02 ppm1      1.582 ppm2      7.246 CV     1
  OR {  509}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI {  510}
    (  segid "    " and resid 40   and name HD1%)
    (( segid "    " and resid 39   and name HN  ))
       3.300     1.400     1.400 peak   510 spectrum    1 weight   .10000E+01 volume   .57761E-03 ppm1       .888 ppm2      8.277 CV     1
  ASSI {  511}
    (  segid "    " and resid 40   and name HD1%)
    (( segid "    " and resid 40   and name HN  ))
       2.800     1.000     1.000 peak   511 spectrum    1 weight   .10000E+01 volume   .15392E-02 ppm1       .882 ppm2      7.242 CV     1
  ASSI {  512}
    (  segid "    " and resid 40   and name HD1%)
    (( segid "    " and resid 41   and name HN  ))
       3.200     1.300     1.300 peak   512 spectrum    1 weight   .10000E+01 volume   .72297E-03 ppm1       .880 ppm2      7.205 CV     1
  ASSI {  513}
    (  segid "    " and resid 40   and name HD2%)
    (( segid "    " and resid 39   and name HN  ))
       3.400     1.500     1.500 peak   513 spectrum    1 weight   .10000E+01 volume   .46115E-03 ppm1       .734 ppm2      8.277 CV     1
  ASSI {  514}
    (  segid "    " and resid 40   and name HD2%)
    (( segid "    " and resid 40   and name HN  ))
       2.800     1.000     1.000 peak   514 spectrum    1 weight   .10000E+01 volume   .16959E-02 ppm1       .729 ppm2      7.242 CV     1
  ASSI {  515}
    (( segid "    " and resid 40   and name HG  ))
    (( segid "    " and resid 39   and name HN  ))
       3.300     1.300     1.300 peak   515 spectrum    1 weight   .10000E+01 volume   .61017E-03 ppm1      1.359 ppm2      8.279 CV     1
  ASSI {  516}
    (( segid "    " and resid 40   and name HG  ))
    (( segid "    " and resid 40   and name HN  ))
       2.500      .800      .800 peak   516 spectrum    1 weight   .10000E+01 volume   .29073E-02 ppm1      1.353 ppm2      7.246 CV     1
  ASSI {  517}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
       2.400      .700      .700 peak   517 spectrum    1 weight   .10000E+01 volume   .44675E-02 ppm1      7.245 ppm2      8.279 CV     1
  ASSI {  518}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       2.500      .800      .800 peak   518 spectrum    1 weight   .10000E+01 volume   .34537E-02 ppm1      4.020 ppm2      7.207 CV     1
  ASSI {  519}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HN  ))
       2.800     1.000     1.000 peak   519 spectrum    1 weight   .10000E+01 volume   .15998E-02 ppm1      1.717 ppm2      7.205 CV     1
  OR {  519}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  520}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 40   and name HN  ))
       3.100     1.200     1.200 peak   520 spectrum    1 weight   .10000E+01 volume   .92577E-03 ppm1      1.272 ppm2      7.239 CV     1
  OR {  520}
    (( segid "    " and resid 41   and name HG3 ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI {  521}
    (( segid "    " and resid 41   and name HG2 ))
    (( segid "    " and resid 41   and name HN  ))
       2.800     1.000     1.000 peak   521 spectrum    1 weight   .10000E+01 volume   .15985E-02 ppm1      1.268 ppm2      7.210 CV     1
  OR {  521}
    (( segid "    " and resid 41   and name HG3 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  522}
    (( segid "    " and resid 41   and name HN  ))
    (( segid "    " and resid 39   and name HN  ))
       2.900     1.000     1.000 peak   522 spectrum    1 weight   .10000E+01 volume   .14083E-02 ppm1      7.209 ppm2      8.279 CV     1
  ASSI {    3}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 10   and name HD2 ))
       3.300     1.300     1.300 peak     3 spectrum    2 weight   .10000E+01 volume   .20039E-03 ppm1      1.721 ppm2      3.216 CV     1
  ASSI {    4}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 10   and name HD3 ))
       3.200     1.300     1.300 peak     4 spectrum    2 weight   .10000E+01 volume   .21867E-03 ppm1      1.721 ppm2      2.609 CV     1
  ASSI {    5}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 13   and name HA  ))
       3.900     1.900     1.900 peak     5 spectrum    2 weight   .10000E+01 volume   .69916E-04 ppm1      1.720 ppm2      5.774 CV     1
  ASSI {    6}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 13   and name HB2 ))
       3.200     1.300     1.300 peak     6 spectrum    2 weight   .10000E+01 volume   .23504E-03 ppm1      1.721 ppm2      3.295 CV     1
  ASSI {    7}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 13   and name HB3 ))
       3.400     1.500     1.500 peak     7 spectrum    2 weight   .10000E+01 volume   .15110E-03 ppm1      1.719 ppm2      3.003 CV     1
  ASSI {    8}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 10   and name HD2 ))
       3.300     1.400     1.400 peak     8 spectrum    2 weight   .10000E+01 volume   .17934E-03 ppm1      1.377 ppm2      3.216 CV     1
  ASSI {    9}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 10   and name HD3 ))
       3.000     1.100     1.100 peak     9 spectrum    2 weight   .10000E+01 volume   .35201E-03 ppm1      1.377 ppm2      2.607 CV     1
  ASSI {   10}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 13   and name HA  ))
       3.600     1.600     1.600 peak    10 spectrum    2 weight   .10000E+01 volume   .11106E-03 ppm1      1.369 ppm2      5.776 CV     1
  ASSI {   11}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 13   and name HB2 ))
       3.200     1.300     1.300 peak    11 spectrum    2 weight   .10000E+01 volume   .23935E-03 ppm1      1.379 ppm2      3.295 CV     1
  ASSI {   12}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 13   and name HB3 ))
       3.300     1.400     1.400 peak    12 spectrum    2 weight   .10000E+01 volume   .17325E-03 ppm1      1.377 ppm2      3.003 CV     1
  ASSI {   13}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 10   and name HD2 ))
       3.400     1.500     1.500 peak    13 spectrum    2 weight   .10000E+01 volume   .15401E-03 ppm1      1.020 ppm2      3.217 CV     1
  ASSI {   14}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 10   and name HD3 ))
       3.500     1.500     1.500 peak    14 spectrum    2 weight   .10000E+01 volume   .12852E-03 ppm1      1.020 ppm2      2.609 CV     1
  ASSI {   15}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 13   and name HA  ))
       3.600     1.600     1.600 peak    15 spectrum    2 weight   .10000E+01 volume   .11950E-03 ppm1      1.019 ppm2      5.775 CV     1
  ASSI {   16}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 13   and name HB2 ))
       3.000     1.200     1.200 peak    16 spectrum    2 weight   .10000E+01 volume   .31086E-03 ppm1      1.020 ppm2      3.297 CV     1
  ASSI {   17}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 13   and name HB3 ))
       3.100     1.200     1.200 peak    17 spectrum    2 weight   .10000E+01 volume   .24951E-03 ppm1      1.019 ppm2      3.004 CV     1
  ASSI {   18}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 14   and name HA  ))
       3.600     1.600     1.600 peak    18 spectrum    2 weight   .10000E+01 volume   .11202E-03 ppm1      1.019 ppm2      4.745 CV     1
  ASSI {   19}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 15   and name HA  ))
       3.400     1.400     1.400 peak    19 spectrum    2 weight   .10000E+01 volume   .15820E-03 ppm1      1.020 ppm2      4.891 CV     1
  ASSI {   20}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 15   and name HG3 ))
       3.400     1.400     1.400 peak    20 spectrum    2 weight   .10000E+01 volume   .16698E-03 ppm1      1.020 ppm2      1.891 CV     1
  OR {   20}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 15   and name HG2 ))
  ASSI {   21}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 25   and name HA  ))
       3.700     1.700     1.700 peak    21 spectrum    2 weight   .10000E+01 volume   .97894E-04 ppm1      1.016 ppm2      5.280 CV     1
  ASSI {   22}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 25   and name HB2 ))
       3.800     1.800     1.800 peak    22 spectrum    2 weight   .10000E+01 volume   .83519E-04 ppm1      1.020 ppm2      3.164 CV     1
  OR {   22}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 25   and name HB3 ))
  ASSI {   23}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 39   and name HD2 ))
       3.400     1.500     1.500 peak    23 spectrum    2 weight   .10000E+01 volume   .15231E-03 ppm1      1.020 ppm2      2.946 CV     1
  OR {   23}
    (  segid "    " and resid 9    and name HD1%)
    (( segid "    " and resid 39   and name HD3 ))
  ASSI {   24}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 10   and name HD2 ))
       2.900     1.100     1.100 peak    24 spectrum    2 weight   .10000E+01 volume   .40530E-03 ppm1       .774 ppm2      3.217 CV     1
  ASSI {   25}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 10   and name HD3 ))
       3.000     1.100     1.100 peak    25 spectrum    2 weight   .10000E+01 volume   .36207E-03 ppm1       .774 ppm2      2.609 CV     1
  ASSI {   26}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 13   and name HA  ))
       3.800     1.800     1.800 peak    26 spectrum    2 weight   .10000E+01 volume   .81836E-04 ppm1       .778 ppm2      5.774 CV     1
  ASSI {   27}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 13   and name HB2 ))
       3.300     1.400     1.400 peak    27 spectrum    2 weight   .10000E+01 volume   .18270E-03 ppm1       .773 ppm2      3.297 CV     1
  ASSI {   28}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 13   and name HB3 ))
       3.300     1.300     1.300 peak    28 spectrum    2 weight   .10000E+01 volume   .20545E-03 ppm1       .774 ppm2      3.001 CV     1
  ASSI {   29}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 25   and name HA  ))
       3.900     1.900     1.900 peak    29 spectrum    2 weight   .10000E+01 volume   .73016E-04 ppm1       .779 ppm2      5.283 CV     1
  ASSI {   30}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 25   and name HB2 ))
       3.300     1.400     1.400 peak    30 spectrum    2 weight   .10000E+01 volume   .17470E-03 ppm1       .776 ppm2      3.164 CV     1
  OR {   30}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 25   and name HB3 ))
  ASSI {   31}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 39   and name HD2 ))
       2.700      .900      .900 peak    31 spectrum    2 weight   .10000E+01 volume   .57692E-03 ppm1       .774 ppm2      2.946 CV     1
  OR {   31}
    (  segid "    " and resid 9    and name HD2%)
    (( segid "    " and resid 39   and name HD3 ))
  ASSI {   32}
    (( segid "    " and resid 9    and name HG  ))
    (( segid "    " and resid 10   and name HD2 ))
       3.600     1.700     1.700 peak    32 spectrum    2 weight   .10000E+01 volume   .10407E-03 ppm1      1.664 ppm2      3.216 CV     1
  ASSI {   33}
    (( segid "    " and resid 9    and name HG  ))
    (( segid "    " and resid 10   and name HD3 ))
       3.600     1.600     1.600 peak    33 spectrum    2 weight   .10000E+01 volume   .11217E-03 ppm1      1.660 ppm2      2.609 CV     1
  ASSI {   34}
    (( segid "    " and resid 10   and name HD2 ))
    (( segid "    " and resid 9    and name HA  ))
       2.800     1.000     1.000 peak    34 spectrum    2 weight   .10000E+01 volume   .47421E-03 ppm1      3.222 ppm2      4.204 CV     1
  ASSI {   35}
    (( segid "    " and resid 10   and name HD3 ))
    (( segid "    " and resid 9    and name HA  ))
       3.000     1.100     1.100 peak    35 spectrum    2 weight   .10000E+01 volume   .33614E-03 ppm1      2.618 ppm2      4.203 CV     1
  ASSI {   36}
    (( segid "    " and resid 13   and name HB2 ))
    (( segid "    " and resid 27   and name HA  ))
       3.600     1.600     1.600 peak    36 spectrum    2 weight   .10000E+01 volume   .11349E-03 ppm1      3.289 ppm2      3.554 CV     1
  ASSI {   37}
    (( segid "    " and resid 13   and name HB3 ))
    (( segid "    " and resid 27   and name HA  ))
       3.600     1.600     1.600 peak    37 spectrum    2 weight   .10000E+01 volume   .10714E-03 ppm1      3.010 ppm2      3.553 CV     1
  ASSI {   38}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 13   and name HA  ))
       3.900     1.900     1.900 peak    38 spectrum    2 weight   .10000E+01 volume   .67178E-04 ppm1      2.041 ppm2      5.775 CV     1
  ASSI {   39}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 13   and name HA  ))
       3.800     1.800     1.800 peak    39 spectrum    2 weight   .10000E+01 volume   .81595E-04 ppm1      2.005 ppm2      5.775 CV     1
  ASSI {   40}
    (( segid "    " and resid 15   and name HA  ))
    (( segid "    " and resid 25   and name HA  ))
       2.800     1.000     1.000 peak    40 spectrum    2 weight   .10000E+01 volume   .46817E-03 ppm1      4.895 ppm2      5.282 CV     1
  ASSI {   41}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 25   and name HA  ))
       3.500     1.500     1.500 peak    41 spectrum    2 weight   .10000E+01 volume   .13547E-03 ppm1      2.000 ppm2      5.285 CV     1
  ASSI {   42}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 25   and name HA  ))
       3.700     1.700     1.700 peak    42 spectrum    2 weight   .10000E+01 volume   .96174E-04 ppm1      1.765 ppm2      5.285 CV     1
  ASSI {   43}
    (( segid "    " and resid 15   and name HG2 ))
    (( segid "    " and resid 25   and name HA  ))
       3.500     1.600     1.600 peak    43 spectrum    2 weight   .10000E+01 volume   .12699E-03 ppm1      1.895 ppm2      5.285 CV     1
  OR {   43}
    (( segid "    " and resid 15   and name HG3 ))
    (( segid "    " and resid 25   and name HA  ))
  ASSI {   44}
    (( segid "    " and resid 17   and name HA  ))
    (( segid "    " and resid 23   and name HA  ))
       2.300      .700      .700 peak    44 spectrum    2 weight   .10000E+01 volume   .15847E-02 ppm1      4.305 ppm2      5.106 CV     1
  ASSI {   45}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 23   and name HA  ))
       3.200     1.300     1.300 peak    45 spectrum    2 weight   .10000E+01 volume   .22064E-03 ppm1      1.780 ppm2      5.108 CV     1
  ASSI {   46}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 23   and name HD3 ))
       3.200     1.300     1.300 peak    46 spectrum    2 weight   .10000E+01 volume   .22587E-03 ppm1      1.792 ppm2      3.817 CV     1
  ASSI {   47}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 23   and name HG3 ))
       3.300     1.400     1.400 peak    47 spectrum    2 weight   .10000E+01 volume   .17699E-03 ppm1      1.793 ppm2      2.279 CV     1
  OR {   47}
    (( segid "    " and resid 17   and name HB  ))
    (( segid "    " and resid 23   and name HG2 ))
  ASSI {   48}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 15   and name HB2 ))
       2.700      .900      .900 peak    48 spectrum    2 weight   .10000E+01 volume   .66461E-03 ppm1       .627 ppm2      2.040 CV     1
  ASSI {   49}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 15   and name HG2 ))
       3.500     1.600     1.600 peak    49 spectrum    2 weight   .10000E+01 volume   .12548E-03 ppm1       .627 ppm2      1.892 CV     1
  OR {   49}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 15   and name HG3 ))
  ASSI {   50}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 23   and name HA  ))
       2.500      .800      .800 peak    50 spectrum    2 weight   .10000E+01 volume   .96863E-03 ppm1       .627 ppm2      5.106 CV     1
  ASSI {   51}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 23   and name HB3 ))
       3.200     1.200     1.200 peak    51 spectrum    2 weight   .10000E+01 volume   .24377E-03 ppm1       .626 ppm2      1.646 CV     1
  ASSI {   52}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 23   and name HD2 ))
       3.700     1.700     1.700 peak    52 spectrum    2 weight   .10000E+01 volume   .98087E-04 ppm1       .628 ppm2      4.095 CV     1
  ASSI {   53}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 23   and name HG3 ))
       3.500     1.500     1.500 peak    53 spectrum    2 weight   .10000E+01 volume   .13793E-03 ppm1       .628 ppm2      2.286 CV     1
  OR {   53}
    (  segid "    " and resid 17   and name HD1%)
    (( segid "    " and resid 23   and name HG2 ))
  ASSI {   54}
    (( segid "    " and resid 17   and name HG12))
    (( segid "    " and resid 23   and name HA  ))
       3.400     1.500     1.500 peak    54 spectrum    2 weight   .10000E+01 volume   .14974E-03 ppm1      1.312 ppm2      5.105 CV     1
  ASSI {   55}
    (( segid "    " and resid 17   and name HG13))
    (( segid "    " and resid 23   and name HA  ))
       3.400     1.400     1.400 peak    55 spectrum    2 weight   .10000E+01 volume   .16558E-03 ppm1      1.174 ppm2      5.105 CV     1
  ASSI {   56}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 15   and name HB2 ))
       3.300     1.400     1.400 peak    56 spectrum    2 weight   .10000E+01 volume   .18804E-03 ppm1       .861 ppm2      2.041 CV     1
  ASSI {   57}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 21   and name HA2 ))
       3.000     1.100     1.100 peak    57 spectrum    2 weight   .10000E+01 volume   .36080E-03 ppm1       .863 ppm2      4.241 CV     1
  ASSI {   59}
    (  segid "    " and resid 17   and name HG2%)
    (( segid "    " and resid 23   and name HA  ))
       2.800     1.000     1.000 peak    59 spectrum    2 weight   .10000E+01 volume   .51190E-03 ppm1       .860 ppm2      5.106 CV     1
  ASSI {   60}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 35   and name HA  ))
       3.700     1.700     1.700 peak    60 spectrum    2 weight   .10000E+01 volume   .89019E-04 ppm1      2.542 ppm2      5.089 CV     1
  ASSI {   61}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 15   and name HA  ))
       3.800     1.800     1.800 peak    61 spectrum    2 weight   .10000E+01 volume   .77293E-04 ppm1      3.168 ppm2      4.894 CV     1
  OR {   61}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 15   and name HA  ))
  ASSI {   62}
    (( segid "    " and resid 26   and name HA  ))
    (( segid "    " and resid 33   and name HA  ))
       2.500      .800      .800 peak    62 spectrum    2 weight   .10000E+01 volume   .10567E-02 ppm1      4.244 ppm2      5.194 CV     1
  ASSI {   63}
    (( segid "    " and resid 26   and name HB  ))
    (( segid "    " and resid 14   and name HG2 ))
       3.700     1.700     1.700 peak    63 spectrum    2 weight   .10000E+01 volume   .96084E-04 ppm1      1.260 ppm2      2.316 CV     1
  OR {   63}
    (( segid "    " and resid 26   and name HB  ))
    (( segid "    " and resid 14   and name HG3 ))
  ASSI {   64}
    (( segid "    " and resid 26   and name HB  ))
    (( segid "    " and resid 25   and name HA  ))
       4.000     2.000     2.000 peak    64 spectrum    2 weight   .10000E+01 volume   .56596E-04 ppm1      1.265 ppm2      5.280 CV     1
  ASSI {   65}
    (( segid "    " and resid 26   and name HB  ))
    (( segid "    " and resid 33   and name HA  ))
       3.800     1.800     1.800 peak    65 spectrum    2 weight   .10000E+01 volume   .76139E-04 ppm1      1.265 ppm2      5.196 CV     1
  ASSI {   66}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 13   and name HA  ))
       4.100     2.100     1.900 peak    66 spectrum    2 weight   .10000E+01 volume   .48278E-04 ppm1       .040 ppm2      5.769 CV     1
  ASSI {   67}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 14   and name HB2 ))
       3.200     1.300     1.300 peak    67 spectrum    2 weight   .10000E+01 volume   .23843E-03 ppm1       .039 ppm2      2.049 CV     1
  ASSI {   68}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 14   and name HB3 ))
       3.200     1.300     1.300 peak    68 spectrum    2 weight   .10000E+01 volume   .21932E-03 ppm1       .039 ppm2      1.994 CV     1
  ASSI {   69}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 25   and name HB3 ))
       3.700     1.700     1.700 peak    69 spectrum    2 weight   .10000E+01 volume   .96519E-04 ppm1       .039 ppm2      3.154 CV     1
  OR {   69}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 25   and name HB2 ))
  ASSI {   70}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 27   and name HA  ))
       3.200     1.300     1.300 peak    70 spectrum    2 weight   .10000E+01 volume   .21175E-03 ppm1       .040 ppm2      3.554 CV     1
  ASSI {   71}
    (  segid "    " and resid 26   and name HD1%)
    (( segid "    " and resid 33   and name HA  ))
       3.100     1.200     1.200 peak    71 spectrum    2 weight   .10000E+01 volume   .28593E-03 ppm1       .040 ppm2      5.196 CV     1
  ASSI {   72}
    (  segid "    " and resid 26   and name HD1%)
    (  segid "    " and resid 33   and name HG2%)
       2.700      .900      .900 peak    72 spectrum    2 weight   .10000E+01 volume   .64965E-03 ppm1       .040 ppm2       .980 CV     1
  ASSI {   73}
    (( segid "    " and resid 26   and name HG12))
    (( segid "    " and resid 25   and name HA  ))
       3.700     1.700     1.700 peak    73 spectrum    2 weight   .10000E+01 volume   .95724E-04 ppm1      1.174 ppm2      5.280 CV     1
  ASSI {   74}
    (( segid "    " and resid 26   and name HG12))
    (( segid "    " and resid 33   and name HA  ))
       3.500     1.500     1.500 peak    74 spectrum    2 weight   .10000E+01 volume   .14205E-03 ppm1      1.176 ppm2      5.195 CV     1
  ASSI {   75}
    (( segid "    " and resid 26   and name HG13))
    (( segid "    " and resid 33   and name HA  ))
       3.500     1.600     1.600 peak    75 spectrum    2 weight   .10000E+01 volume   .12710E-03 ppm1       .793 ppm2      5.192 CV     1
  ASSI {   76}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 14   and name HB2 ))
       2.900     1.100     1.100 peak    76 spectrum    2 weight   .10000E+01 volume   .39137E-03 ppm1       .548 ppm2      2.049 CV     1
  ASSI {   77}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 14   and name HB3 ))
       3.100     1.200     1.200 peak    77 spectrum    2 weight   .10000E+01 volume   .24882E-03 ppm1       .549 ppm2      1.994 CV     1
  ASSI {   78}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 14   and name HG2 ))
       3.800     1.800     1.800 peak    78 spectrum    2 weight   .10000E+01 volume   .86546E-04 ppm1       .549 ppm2      2.316 CV     1
  OR {   78}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 14   and name HG3 ))
  ASSI {   79}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 16   and name HD2 ))
       3.200     1.300     1.300 peak    79 spectrum    2 weight   .10000E+01 volume   .23890E-03 ppm1       .549 ppm2      3.101 CV     1
  ASSI {   80}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 16   and name HD3 ))
       2.900     1.100     1.100 peak    80 spectrum    2 weight   .10000E+01 volume   .38129E-03 ppm1       .548 ppm2      2.889 CV     1
  ASSI {   81}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 25   and name HA  ))
       3.500     1.500     1.500 peak    81 spectrum    2 weight   .10000E+01 volume   .13226E-03 ppm1       .554 ppm2      5.283 CV     1
  ASSI {   82}
    (  segid "    " and resid 26   and name HG2%)
    (( segid "    " and resid 33   and name HA  ))
       3.600     1.600     1.600 peak    82 spectrum    2 weight   .10000E+01 volume   .11346E-03 ppm1       .554 ppm2      5.193 CV     1
  ASSI {   83}
    (  segid "    " and resid 26   and name HG2%)
    (  segid "    " and resid 33   and name HG2%)
       2.800     1.000     1.000 peak    83 spectrum    2 weight   .10000E+01 volume   .47946E-03 ppm1       .548 ppm2       .980 CV     1
  ASSI {   84}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 13   and name HA  ))
       2.600      .800      .800 peak    84 spectrum    2 weight   .10000E+01 volume   .77930E-03 ppm1      3.556 ppm2      5.772 CV     1
  ASSI {   85}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 13   and name HA  ))
       3.800     1.800     1.800 peak    85 spectrum    2 weight   .10000E+01 volume   .82554E-04 ppm1       .094 ppm2      5.770 CV     1
  ASSI {   86}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 29   and name HA  ))
       3.600     1.700     1.700 peak    86 spectrum    2 weight   .10000E+01 volume   .10502E-03 ppm1      1.114 ppm2      4.439 CV     1
  ASSI {   87}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 29   and name HB2 ))
       2.600      .900      .900 peak    87 spectrum    2 weight   .10000E+01 volume   .70582E-03 ppm1      1.113 ppm2      3.217 CV     1
  ASSI {   88}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 29   and name HB3 ))
       2.900     1.100     1.100 peak    88 spectrum    2 weight   .10000E+01 volume   .39156E-03 ppm1      1.115 ppm2      2.698 CV     1
  ASSI {   89}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 28   and name HA  ))
       2.900     1.000     1.000 peak    89 spectrum    2 weight   .10000E+01 volume   .40930E-03 ppm1      3.733 ppm2      4.211 CV     1
  ASSI {   90}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 33   and name HA  ))
       3.500     1.600     1.600 peak    90 spectrum    2 weight   .10000E+01 volume   .12341E-03 ppm1      1.093 ppm2      5.199 CV     1
  ASSI {   91}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 34   and name HA  ))
       3.700     1.700     1.700 peak    91 spectrum    2 weight   .10000E+01 volume   .10222E-03 ppm1      1.094 ppm2      4.813 CV     1
  ASSI {   92}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 26   and name HA  ))
       2.600      .800      .800 peak    92 spectrum    2 weight   .10000E+01 volume   .78395E-03 ppm1       .979 ppm2      4.244 CV     1
  ASSI {   93}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 25   and name HA  ))
       3.200     1.300     1.300 peak    93 spectrum    2 weight   .10000E+01 volume   .20677E-03 ppm1      1.541 ppm2      5.284 CV     1
  ASSI {   94}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 25   and name HB3 ))
       2.500      .800      .800 peak    94 spectrum    2 weight   .10000E+01 volume   .10029E-02 ppm1      1.543 ppm2      3.162 CV     1
  OR {   94}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 25   and name HB2 ))
  ASSI {   95}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 33   and name HA  ))
       3.300     1.400     1.400 peak    95 spectrum    2 weight   .10000E+01 volume   .19165E-03 ppm1      1.541 ppm2      5.193 CV     1
  ASSI {   96}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 36   and name HG3 ))
       3.100     1.200     1.200 peak    96 spectrum    2 weight   .10000E+01 volume   .26680E-03 ppm1      1.541 ppm2      1.894 CV     1
  OR {   96}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 36   and name HG2 ))
  ASSI {   97}
    (  segid "    " and resid 34   and name HG2%)
    (( segid "    " and resid 38   and name HD2 ))
       3.600     1.600     1.600 peak    97 spectrum    2 weight   .10000E+01 volume   .10977E-03 ppm1      1.543 ppm2      2.731 CV     1
  ASSI {   98}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 9    and name HA  ))
       3.100     1.200     1.200 peak    98 spectrum    2 weight   .10000E+01 volume   .26271E-03 ppm1      2.951 ppm2      4.204 CV     1
  OR {   98}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 9    and name HA  ))
  ASSI {   99}
    (  segid "    " and resid 40   and name HD1%)
    (( segid "    " and resid 37   and name HB2 ))
       2.800     1.000     1.000 peak    99 spectrum    2 weight   .10000E+01 volume   .48712E-03 ppm1       .882 ppm2      2.622 CV     1
  ASSI {  100}
    (  segid "    " and resid 40   and name HD1%)
    (( segid "    " and resid 37   and name HB3 ))
       3.200     1.300     1.300 peak   100 spectrum    2 weight   .10000E+01 volume   .20698E-03 ppm1       .882 ppm2      2.287 CV     1
  ASSI {  101}
    (( segid "    " and resid 40   and name HG  ))
    (( segid "    " and resid 37   and name HB2 ))
       3.000     1.100     1.100 peak   101 spectrum    2 weight   .10000E+01 volume   .33840E-03 ppm1      1.357 ppm2      2.622 CV     1
  ASSI {  102}
    (( segid "    " and resid 40   and name HG  ))
    (( segid "    " and resid 37   and name HB3 ))
       3.700     1.700     1.700 peak   102 spectrum    2 weight   .10000E+01 volume   .89260E-04 ppm1      1.357 ppm2      2.287 CV     1
 ASSI {  525}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 15   and name HN  ))
       2.400      .700      .700 peak   525 spectrum    1 weight   .10000E+01 volume   .39825E-02 ppm1      2.001 ppm2      8.886 CV     1
  OR {  525}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HN  ))
  ASSI {  527}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 25   and name HN  ))
       2.700      .900      .900 peak   527 spectrum    1 weight   .10000E+01 volume   .20285E-02 ppm1      2.518 ppm2      8.787 CV     1
  OR {  527}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
  ASSI {  529}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 25   and name HN  ))
       2.400      .700      .700 peak   529 spectrum    1 weight   .10000E+01 volume   .35942E-02 ppm1      7.026 ppm2      8.790 CV     1
  OR {  529}
    (  segid "    " and resid 25   and name HD% )
    (( segid "    " and resid 24   and name HN  ))
  ASSI {  531}
    (( segid "    " and resid 5    and name HB  ))
    (( segid "    " and resid 5    and name HN  ))
       2.300      .700      .700 peak   531 spectrum    1 weight   .10000E+01 volume   .45471E-02 ppm1      1.793 ppm2      7.924 CV     1
  OR {  531}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  533}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 31   and name HN  ))
       2.500      .800      .800 peak   533 spectrum    1 weight   .10000E+01 volume   .30111E-02 ppm1      1.113 ppm2      7.919 CV     1
  OR {  533}
    (( segid "    " and resid 5    and name HG13))
    (( segid "    " and resid 5    and name HN  ))
  ASSI {  535}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 32   and name HN  ))
       2.600      .800      .800 peak   535 spectrum    1 weight   .10000E+01 volume   .24845E-02 ppm1      1.097 ppm2      7.372 CV     1
  OR {  535}
    (  segid "    " and resid 32   and name HG2%)
    (( segid "    " and resid 13   and name HZ2 ))
  ASSI {  537}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 13   and name HD1 ))
       2.300      .700      .700 peak   537 spectrum    1 weight   .10000E+01 volume   .45028E-02 ppm1      1.532 ppm2      7.029 CV     1
  OR {  537}
    (  segid "    " and resid 34   and name HG2%)
    (  segid "    " and resid 25   and name HD% )
  ASSI {  539}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 41   and name HN  ))
       2.300      .700      .700 peak   539 spectrum    1 weight   .10000E+01 volume   .49366E-02 ppm1      1.582 ppm2      7.205 CV     1
  OR {  539}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
  OR {  539}
    (( segid "    " and resid 41   and name HD3 ))
    (( segid "    " and resid 41   and name HN  ))
  OR {  539}
    (( segid "    " and resid 41   and name HD2 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  541}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 25   and name HZ  ))
       2.600      .800      .800 peak   541 spectrum    1 weight   .10000E+01 volume   .24859E-02 ppm1      2.287 ppm2      7.245 CV     1
  OR {  541}
    (( segid "    " and resid 23   and name HG3 ))
    (( segid "    " and resid 25   and name HZ  ))
  OR {  541}
    (( segid "    " and resid 37   and name HB3 ))
    (( segid "    " and resid 25   and name HZ  ))
  ASSI {  543}
    (( segid "    " and resid 23   and name HG2 ))
    (  segid "    " and resid 25   and name HE% )
       2.500      .800      .800 peak   543 spectrum    1 weight   .10000E+01 volume   .33842E-02 ppm1      2.287 ppm2      7.195 CV     1
  OR {  543}
    (( segid "    " and resid 23   and name HG3 ))
    (  segid "    " and resid 25   and name HE% )
  OR {  543}
    (( segid "    " and resid 37   and name HB3 ))
    (  segid "    " and resid 25   and name HE% )
  ASSI {  545}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       2.100      .600      .600 peak   545 spectrum    1 weight   .10000E+01 volume   .77967E-02 ppm1      3.714 ppm2      7.370 CV     1
  OR {  545}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HD1 ))
  ASSI {  547}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HD1 ))
       2.700      .900      .900 peak   547 spectrum    1 weight   .10000E+01 volume   .20328E-02 ppm1      5.766 ppm2      7.041 CV     1
  OR {  547}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 28   and name HD2 ))
  ASSI {  549}
    (( segid "    " and resid 26   and name HB  ))
    (  segid "    " and resid 24   and name HD% )
       2.900     1.000     1.000 peak   549 spectrum    1 weight   .10000E+01 volume   .13187E-02 ppm1      1.270 ppm2      6.648 CV     1
  OR {  549}
    (( segid "    " and resid 16   and name HB2 ))
    (  segid "    " and resid 24   and name HD% )
  ASSI {  551}
    (  segid "    " and resid 30   and name HG2%)
    (( segid "    " and resid 30   and name HN  ))
       2.700      .900      .900 peak   551 spectrum    1 weight   .10000E+01 volume   .20642E-02 ppm1      1.114 ppm2      6.649 CV     1
  OR {  551}
    (( segid "    " and resid 16   and name HG3 ))
    (  segid "    " and resid 24   and name HD% )
  OR {  551}
    (( segid "    " and resid 16   and name HG2 ))
    (  segid "    " and resid 24   and name HD% )
  ASSI {  553}
    (( segid "    " and resid 26   and name HB  ))
    (( segid "    " and resid 28   and name HD2 ))
       2.600      .800      .800 peak   553 spectrum    1 weight   .10000E+01 volume   .27342E-02 ppm1      1.265 ppm2      7.043 CV     1
  OR {  553}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 24   and name HZ  ))
  ASSI {  105}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 23   and name HA  ))
       3.400     1.500     1.500 peak   105 spectrum    2 weight   .10000E+01 volume   .15507E-03 ppm1      2.285 ppm2      5.090 CV     1
  OR {  105}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 35   and name HA  ))

!PHI (infit)
assign(resid 12 and name C)(resid 13 and name N)
      (resid 13 and name CA)(resid 13 and name C)
      1.00 -102.00 30.00 2
assign(resid 13 and name C)(resid 14 and name N)
      (resid 14 and name CA)(resid 14 and name C)
      1.00 -98.00 30.00 2
assign(resid 14 and name C)(resid 15 and name N)
      (resid 15 and name CA)(resid 15 and name C)
      1.00 -99.00 30.00 2
assign(resid 15 and name C)(resid 16 and name N)
      (resid 16 and name CA)(resid 16 and name C)
      1.00 -110.00 30.00 2
assign(resid 16 and name C)(resid 17 and name N)
      (resid 17 and name CA)(resid 17 and name C)
      1.00 -105.00 30.00 2
assign(resid 17 and name C)(resid 18 and name N)
      (resid 18 and name CA)(resid 18 and name C)
      1.00 -77.00 30.00 2
assign(resid 21 and name C)(resid 22 and name N)
      (resid 22 and name CA)(resid 22 and name C)
      1.00 -77.00 30.00 2
assign(resid 23 and name C)(resid 24 and name N)
      (resid 24 and name CA)(resid 24 and name C)
      1.00 -120.00 30.00 2
assign(resid 24 and name C)(resid 25 and name N)
      (resid 25 and name CA)(resid 25 and name C)
      1.00 -120.00 30.00 2
assign(resid 25 and name C)(resid 26 and name N)
      (resid 26 and name CA)(resid 26 and name C)
      1.00 -120.00 30.00 2
assign(resid 26 and name C)(resid 27 and name N)
      (resid 27 and name CA)(resid 27 and name C)
      1.00 -108.00 30.00 2
assign(resid 27 and name C)(resid 28 and name N)
      (resid 28 and name CA)(resid 28 and name C)
      1.00 -70.00 30.00 2
assign(resid 31 and name C)(resid 32 and name N)
      (resid 32 and name CA)(resid 32 and name C)
      1.00 -99.00 30.00 2
assign(resid 32 and name C)(resid 33 and name N)
      (resid 33 and name CA)(resid 33 and name C)
      1.00 -96.00 30.00 2
assign(resid 33 and name C)(resid 34 and name N)
      (resid 34 and name CA)(resid 34 and name C)
      1.00 -93.00 30.00 2
assign(resid 34 and name C)(resid 35 and name N)
      (resid 35 and name CA)(resid 35 and name C)
      1.00 -120.00 30.00 2

!CHI1
assign(resid 9 and name N)(resid 9 and name CA)
      (resid 9 and name CB)(resid 9 and name CG1)
      1.00 -60.00 60.00 2
assign(resid 13 and name N)(resid 13 and name CA)
      (resid 13 and name CB)(resid 13 and name CG)
      1.00 -60.00 60.00 2
assign(resid 16 and name N)(resid 16 and name CA)
      (resid 16 and name CB)(resid 16 and name CG)
      1.00 -60.00 60.00 2
assign(resid 20 and name N)(resid 20 and name CA)
      (resid 20 and name CB)(resid 20 and name CG)
      1.00 -60.00 60.00 2
assign(resid 24 and name N)(resid 24 and name CA)
      (resid 24 and name CB)(resid 24 and name CG)
      1.00 60.00 60.00 2
assign(resid 28 and name N)(resid 28 and name CA)
      (resid 28 and name CB)(resid 28 and name CG)
      1.00 -60.00 60.00 2
assign(resid 29 and name N)(resid 29 and name CA)
      (resid 29 and name CB)(resid 29 and name CG)
      1.00 -60.00 60.00 2
assign(resid 35 and name N)(resid 35 and name CA)
      (resid 35 and name CB)(resid 35 and name CG)
      1.00 -60.00 60.00 2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -19.928  -7.265 -11.924
    2   2H    GLY   1          2H        GLY   1 -20.878  -7.786 -13.229
    3   3H    GLY   1          3H        GLY   1 -19.285  -8.349 -13.058
    4   1HA   GLY   1          2HA       GLY   1 -20.810 -10.063 -12.371
    5   2HA   GLY   1          1HA       GLY   1 -19.887  -9.473 -10.994
    6    H    SER   2           H        SER   2 -22.654 -10.705 -11.379
    7    HA   SER   2           HA       SER   2 -24.727  -8.954 -11.031
    8   1HB   SER   2          2HB       SER   2 -25.021 -11.296  -9.319
    9   2HB   SER   2          1HB       SER   2 -25.942 -10.818 -10.744
   10    HG   SER   2           HG       SER   2 -24.954 -12.586 -11.451
   11    HA   PRO   3           HA       PRO   3 -24.210  -9.256  -6.121
   12   1HB   PRO   3          2HB       PRO   3 -21.240  -9.411  -6.012
   13   2HB   PRO   3          1HB       PRO   3 -22.449 -10.157  -4.961
   14   1HG   PRO   3          2HG       PRO   3 -21.154 -11.619  -6.754
   15   2HG   PRO   3          1HG       PRO   3 -22.885 -11.874  -6.459
   16   1HD   PRO   3          2HD       PRO   3 -21.537 -10.464  -8.727
   17   2HD   PRO   3          1HD       PRO   3 -22.957 -11.531  -8.744
   18    H    GLY   4           H        GLY   4 -22.299  -7.517  -8.408
   19   1HA   GLY   4          1HA       GLY   4 -22.188  -5.165  -8.502
   20   2HA   GLY   4          2HA       GLY   4 -22.609  -5.100  -6.797
   21    H    ILE   5           H        ILE   5 -20.233  -7.375  -7.437
   22    HA   ILE   5           HA       ILE   5 -18.226  -5.896  -6.056
   23    HB   ILE   5           HB       ILE   5 -16.772  -7.920  -6.894
   24   1HG1  ILE   5          2HG1      ILE   5 -19.191  -9.554  -6.896
   25   2HG1  ILE   5          1HG1      ILE   5 -19.119  -8.464  -8.276
   26   1HG2  ILE   5          1HG2      ILE   5 -17.812  -7.380  -4.584
   27   2HG2  ILE   5          2HG2      ILE   5 -18.969  -8.646  -5.002
   28   3HG2  ILE   5          3HG2      ILE   5 -17.248  -9.018  -4.914
   29   1HD1  ILE   5          1HD1      ILE   5 -16.802  -9.357  -8.701
   30   2HD1  ILE   5          2HD1      ILE   5 -17.162 -10.599  -7.501
   31   3HD1  ILE   5          3HD1      ILE   5 -18.136 -10.480  -8.966
   32    H    GLN   6           H        GLN   6 -17.488  -4.146  -7.140
   33    HA   GLN   6           HA       GLN   6 -16.980  -4.096  -9.930
   34   1HB   GLN   6          2HB       GLN   6 -16.560  -2.286  -7.646
   35   2HB   GLN   6          1HB       GLN   6 -15.409  -2.092  -8.963
   36   1HG   GLN   6          2HG       GLN   6 -17.316  -0.591  -9.197
   37   2HG   GLN   6          1HG       GLN   6 -17.220  -1.735 -10.533
   38   1HE2  GLN   6          1HE2      GLN   6 -18.810  -1.112  -7.456
   39   2HE2  GLN   6          2HE2      GLN   6 -20.276  -1.956  -7.833
   40    H    SER   7           H        SER   7 -15.445  -5.136 -10.958
   41    HA   SER   7           HA       SER   7 -13.267  -6.335  -9.567
   42   1HB   SER   7          2HB       SER   7 -13.069  -6.332 -12.466
   43   2HB   SER   7          1HB       SER   7 -13.172  -7.685 -11.343
   44    HG   SER   7           HG       SER   7 -15.060  -7.838 -12.364
   45    H    PHE   8           H        PHE   8 -12.477  -4.203  -8.818
   46    HA   PHE   8           HA       PHE   8 -10.804  -2.739 -10.671
   47   1HB   PHE   8          2HB       PHE   8 -11.952  -2.104  -8.246
   48   2HB   PHE   8          1HB       PHE   8 -10.276  -2.394  -7.795
   49    HD1  PHE   8           1HD      PHE   8  -8.755  -0.675  -7.967
   50    HD2  PHE   8           2HD      PHE   8 -12.308  -0.542 -10.304
   51    HE1  PHE   8           1HE      PHE   8  -8.154   1.583  -8.733
   52    HE2  PHE   8           2HE      PHE   8 -11.715   1.723 -11.077
   53    HZ   PHE   8           HZ       PHE   8  -9.636   2.784 -10.291
   54    H    LEU   9           H        LEU   9  -9.879  -4.097  -7.540
   55    HA   LEU   9           HA       LEU   9  -7.597  -5.444  -8.817
   56   1HB   LEU   9          2HB       LEU   9  -7.911  -5.158  -5.847
   57   2HB   LEU   9          1HB       LEU   9  -6.448  -5.294  -6.796
   58    HG   LEU   9           HG       LEU   9  -7.587  -2.874  -7.607
   59   1HD1  LEU   9          1HD1      LEU   9  -7.644  -1.736  -5.315
   60   2HD1  LEU   9          2HD1      LEU   9  -9.064  -2.662  -5.808
   61   3HD1  LEU   9          3HD1      LEU   9  -7.913  -3.354  -4.664
   62   1HD2  LEU   9          1HD2      LEU   9  -5.172  -3.804  -6.965
   63   2HD2  LEU   9          2HD2      LEU   9  -5.535  -2.082  -7.080
   64   3HD2  LEU   9          3HD2      LEU   9  -5.512  -2.876  -5.504
   65    HA   PRO  10           HA       PRO  10  -9.144  -9.532  -7.633
   66   1HB   PRO  10          2HB       PRO  10  -7.135  -9.697  -5.436
   67   2HB   PRO  10          1HB       PRO  10  -7.498 -10.863  -6.711
   68   1HG   PRO  10          2HG       PRO  10  -5.303  -9.376  -6.844
   69   2HG   PRO  10          1HG       PRO  10  -6.257  -9.707  -8.301
   70   1HD   PRO  10          2HD       PRO  10  -6.109  -7.227  -6.652
   71   2HD   PRO  10          1HD       PRO  10  -6.257  -7.401  -8.413
   72    HA   PRO  11           HA       PRO  11 -12.022  -8.539  -4.439
   73   1HB   PRO  11          2HB       PRO  11 -12.362 -11.451  -4.066
   74   2HB   PRO  11          1HB       PRO  11 -13.546 -10.225  -4.524
   75   1HG   PRO  11          2HG       PRO  11 -12.629 -11.959  -6.320
   76   2HG   PRO  11          1HG       PRO  11 -12.916 -10.263  -6.758
   77   1HD   PRO  11          2HD       PRO  11 -10.327 -11.640  -6.115
   78   2HD   PRO  11          1HD       PRO  11 -10.693 -10.481  -7.413
   79    H    GLY  12           H        GLY  12  -9.094  -9.741  -3.714
   80   1HA   GLY  12          1HA       GLY  12  -9.720  -9.975  -0.840
   81   2HA   GLY  12          2HA       GLY  12  -8.294 -10.668  -1.604
   82    H    TRP  13           H        TRP  13  -8.764  -7.779  -3.057
   83    HA   TRP  13           HA       TRP  13  -6.822  -6.460  -1.287
   84   1HB   TRP  13          2HB       TRP  13  -7.412  -6.237  -4.224
   85   2HB   TRP  13          1HB       TRP  13  -6.549  -4.960  -3.376
   86    HD1  TRP  13           HD       TRP  13  -6.175  -8.663  -4.353
   87    HE1  TRP  13           1HE      TRP  13  -3.671  -9.250  -4.356
   88    HE3  TRP  13           3HE      TRP  13  -4.323  -4.291  -2.459
   89    HZ2  TRP  13           2HZ      TRP  13  -1.235  -8.026  -3.621
   90    HZ3  TRP  13           3HZ      TRP  13  -1.893  -4.079  -2.137
   91    HH2  TRP  13           HH       TRP  13  -0.380  -5.912  -2.710
   92    H    GLU  14           H        GLU  14  -7.377  -4.678  -0.216
   93    HA   GLU  14           HA       GLU  14  -9.950  -3.422  -0.904
   94   1HB   GLU  14          2HB       GLU  14  -9.620  -4.677   1.341
   95   2HB   GLU  14          1HB       GLU  14  -8.672  -3.272   1.808
   96   1HG   GLU  14          2HG       GLU  14 -10.667  -1.863   1.253
   97   2HG   GLU  14          1HG       GLU  14 -11.575  -3.361   1.048
   98    H    MET  15           H        MET  15  -9.564  -1.566  -1.953
   99    HA   MET  15           HA       MET  15  -7.240   0.032  -1.303
  100   1HB   MET  15          2HB       MET  15  -8.120   1.592  -3.055
  101   2HB   MET  15          1HB       MET  15  -7.772  -0.032  -3.625
  102   1HG   MET  15          2HG       MET  15  -9.916  -0.462  -4.123
  103   2HG   MET  15          1HG       MET  15 -10.539   0.461  -2.756
  104   1HE   MET  15          1HE       MET  15 -12.153   1.625  -3.301
  105   2HE   MET  15          2HE       MET  15 -12.033   3.231  -4.022
  106   3HE   MET  15          3HE       MET  15 -12.582   1.867  -4.994
  107    H    ARG  16           H        ARG  16  -7.242   1.327   0.359
  108    HA   ARG  16           HA       ARG  16  -9.746   2.712   1.072
  109   1HB   ARG  16          2HB       ARG  16  -7.414   1.832   2.772
  110   2HB   ARG  16          1HB       ARG  16  -8.589   3.013   3.330
  111   1HG   ARG  16          2HG       ARG  16 -10.295   1.461   3.452
  112   2HG   ARG  16          1HG       ARG  16  -9.507   0.358   2.322
  113   1HD   ARG  16          2HD       ARG  16  -9.111  -0.734   4.296
  114   2HD   ARG  16          1HD       ARG  16  -7.665   0.273   4.195
  115    HE   ARG  16           HE       ARG  16  -8.471   1.591   5.938
  116   1HH1  ARG  16          2HH1      ARG  16 -10.833  -0.842   5.007
  117   2HH1  ARG  16          1HH1      ARG  16 -11.798  -0.609   6.440
  118   1HH2  ARG  16          2HH2      ARG  16  -9.749   1.879   7.802
  119   2HH2  ARG  16          1HH2      ARG  16 -11.186   0.923   8.020
  120    H    ILE  17           H        ILE  17  -9.674   4.935   1.347
  121    HA   ILE  17           HA       ILE  17  -7.315   6.175   0.156
  122    HB   ILE  17           HB       ILE  17  -9.710   7.762   0.950
  123   1HG1  ILE  17          2HG1      ILE  17 -10.546   5.710  -0.232
  124   2HG1  ILE  17          1HG1      ILE  17 -10.898   7.217  -1.070
  125   1HG2  ILE  17          1HG2      ILE  17  -7.774   8.934   0.106
  126   2HG2  ILE  17          2HG2      ILE  17  -7.764   7.927  -1.344
  127   3HG2  ILE  17          3HG2      ILE  17  -9.098   9.046  -1.054
  128   1HD1  ILE  17          1HD1      ILE  17  -8.604   6.599  -2.278
  129   2HD1  ILE  17          2HD1      ILE  17  -9.137   4.974  -1.846
  130   3HD1  ILE  17          3HD1      ILE  17 -10.169   6.007  -2.836
  131    H    ALA  18           H        ALA  18  -5.770   6.418   1.619
  132    HA   ALA  18           HA       ALA  18  -6.126   6.931   4.360
  133   1HB   ALA  18          1HB       ALA  18  -3.723   7.543   4.329
  134   2HB   ALA  18          2HB       ALA  18  -4.057   6.007   3.532
  135   3HB   ALA  18          3HB       ALA  18  -3.755   7.453   2.568
  136    HA   PRO  19           HA       PRO  19  -7.040  11.248   4.729
  137   1HB   PRO  19          2HB       PRO  19  -4.775  11.384   6.654
  138   2HB   PRO  19          1HB       PRO  19  -6.459  11.876   6.862
  139   1HG   PRO  19          2HG       PRO  19  -5.555   9.647   7.993
  140   2HG   PRO  19          1HG       PRO  19  -7.177   9.708   7.278
  141   1HD   PRO  19          2HD       PRO  19  -4.676   8.475   6.206
  142   2HD   PRO  19          1HD       PRO  19  -6.353   7.897   6.105
  143    H    ASN  20           H        ASN  20  -3.882  10.128   3.970
  144    HA   ASN  20           HA       ASN  20  -2.544  12.541   3.412
  145   1HB   ASN  20          2HB       ASN  20  -2.237   9.753   2.279
  146   2HB   ASN  20          1HB       ASN  20  -1.178  11.083   1.831
  147   1HD2  ASN  20          1HD2      ASN  20   0.683  10.395   2.674
  148   2HD2  ASN  20          2HD2      ASN  20   0.949  10.081   4.359
  149    H    GLY  21           H        GLY  21  -5.009  10.791   1.750
  150   1HA   GLY  21          1HA       GLY  21  -6.297  11.793   0.004
  151   2HA   GLY  21          2HA       GLY  21  -4.868  12.694  -0.486
  152    H    ARG  22           H        ARG  22  -3.855   9.657   0.224
  153    HA   ARG  22           HA       ARG  22  -3.893   8.927  -2.617
  154   1HB   ARG  22          2HB       ARG  22  -1.990   7.588  -0.781
  155   2HB   ARG  22          1HB       ARG  22  -1.767   8.118  -2.441
  156   1HG   ARG  22          2HG       ARG  22  -2.054  10.248  -0.420
  157   2HG   ARG  22          1HG       ARG  22  -0.582   9.275  -0.340
  158   1HD   ARG  22          2HD       ARG  22  -1.271  10.074  -3.056
  159   2HD   ARG  22          1HD       ARG  22  -1.015  11.449  -1.984
  160    HE   ARG  22           HE       ARG  22   1.201  10.586  -1.527
  161   1HH1  ARG  22          2HH1      ARG  22  -0.467   9.209  -4.292
  162   2HH1  ARG  22          1HH1      ARG  22   1.001   8.658  -5.050
  163   1HH2  ARG  22          2HH2      ARG  22   3.115   9.884  -2.534
  164   2HH2  ARG  22          1HH2      ARG  22   3.027   9.028  -4.047
  165    HA   PRO  23           HA       PRO  23  -6.343   5.267  -1.550
  166   1HB   PRO  23          2HB       PRO  23  -5.339   4.585  -4.267
  167   2HB   PRO  23          1HB       PRO  23  -6.985   4.513  -3.635
  168   1HG   PRO  23          2HG       PRO  23  -6.271   6.451  -5.309
  169   2HG   PRO  23          1HG       PRO  23  -7.331   6.797  -3.929
  170   1HD   PRO  23          2HD       PRO  23  -4.411   7.365  -4.261
  171   2HD   PRO  23          1HD       PRO  23  -5.675   8.355  -3.502
  172    H    PHE  24           H        PHE  24  -5.417   3.719  -0.335
  173    HA   PHE  24           HA       PHE  24  -2.953   2.509  -1.378
  174   1HB   PHE  24          2HB       PHE  24  -2.063   2.211   0.785
  175   2HB   PHE  24          1HB       PHE  24  -2.639   3.864   0.741
  176    HD1  PHE  24           1HD      PHE  24  -3.209   0.505   2.154
  177    HD2  PHE  24           2HD      PHE  24  -4.419   4.589   2.133
  178    HE1  PHE  24           1HE      PHE  24  -4.445   0.145   4.240
  179    HE2  PHE  24           2HE      PHE  24  -5.665   4.235   4.217
  180    HZ   PHE  24           HZ       PHE  24  -5.686   2.005   5.280
  181    H    PHE  25           H        PHE  25  -2.819   0.342  -1.419
  182    HA   PHE  25           HA       PHE  25  -5.399  -1.014  -1.127
  183   1HB   PHE  25          2HB       PHE  25  -3.025  -1.986  -2.711
  184   2HB   PHE  25          1HB       PHE  25  -4.703  -2.506  -2.846
  185    HD1  PHE  25           1HD      PHE  25  -6.389  -0.940  -3.789
  186    HD2  PHE  25           2HD      PHE  25  -2.218  -0.138  -3.927
  187    HE1  PHE  25           1HE      PHE  25  -6.777   0.736  -5.544
  188    HE2  PHE  25           2HE      PHE  25  -2.595   1.537  -5.687
  189    HZ   PHE  25           HZ       PHE  25  -4.873   1.975  -6.500
  190    H    ILE  26           H        ILE  26  -5.624  -2.079   0.621
  191    HA   ILE  26           HA       ILE  26  -3.299  -3.391   1.793
  192    HB   ILE  26           HB       ILE  26  -4.699  -1.816   3.170
  193   1HG1  ILE  26          2HG1      ILE  26  -3.210  -3.842   3.890
  194   2HG1  ILE  26          1HG1      ILE  26  -4.131  -2.923   5.075
  195   1HG2  ILE  26          1HG2      ILE  26  -6.903  -2.081   2.889
  196   2HG2  ILE  26          2HG2      ILE  26  -6.773  -3.810   2.565
  197   3HG2  ILE  26          3HG2      ILE  26  -6.708  -3.216   4.225
  198   1HD1  ILE  26          1HD1      ILE  26  -4.387  -5.220   5.591
  199   2HD1  ILE  26          2HD1      ILE  26  -5.913  -4.677   4.894
  200   3HD1  ILE  26          3HD1      ILE  26  -4.784  -5.618   3.919
  201    H    ASP  27           H        ASP  27  -3.014  -5.438   1.458
  202    HA   ASP  27           HA       ASP  27  -5.047  -7.006   0.123
  203   1HB   ASP  27          2HB       ASP  27  -2.966  -7.419  -0.816
  204   2HB   ASP  27          1HB       ASP  27  -2.136  -7.358   0.736
  205    H    HIS  28           H        HIS  28  -6.267  -8.586   1.038
  206    HA   HIS  28           HA       HIS  28  -5.963  -8.903   3.934
  207   1HB   HIS  28          2HB       HIS  28  -8.306  -9.299   2.082
  208   2HB   HIS  28          1HB       HIS  28  -8.319  -9.855   3.751
  209    HD1  HIS  28           1HD      HIS  28  -7.648  -7.759   5.518
  210    HD2  HIS  28           2HD      HIS  28  -9.327  -6.825   1.828
  211    HE1  HIS  28           1HE      HIS  28  -8.568  -5.436   5.760
  212    HE2  HIS  28           2HE      HIS  28  -9.815  -5.012   3.610
  213    H    ASN  29           H        ASN  29  -4.782 -10.453   1.400
  214    HA   ASN  29           HA       ASN  29  -5.468 -13.169   2.178
  215   1HB   ASN  29          2HB       ASN  29  -3.585 -12.048   0.091
  216   2HB   ASN  29          1HB       ASN  29  -3.815 -13.764   0.380
  217   1HD2  ASN  29          1HD2      ASN  29  -5.001 -10.960  -1.129
  218   2HD2  ASN  29          2HD2      ASN  29  -6.405 -11.676  -1.854
  219    H    THR  30           H        THR  30  -2.491 -11.267   1.834
  220    HA   THR  30           HA       THR  30  -1.171 -12.978   3.816
  221    HB   THR  30           HB       THR  30   0.917 -12.008   3.044
  222    HG1  THR  30           1HG      THR  30  -0.794 -10.291   1.522
  223   1HG2  THR  30          1HG2      THR  30  -0.936 -12.829   0.812
  224   2HG2  THR  30          2HG2      THR  30   0.172 -13.855   1.724
  225   3HG2  THR  30          3HG2      THR  30   0.810 -12.641   0.615
  226    H    LYS  31           H        LYS  31  -2.495  -9.874   3.283
  227    HA   LYS  31           HA       LYS  31  -3.047  -8.190   4.697
  228   1HB   LYS  31          2HB       LYS  31  -1.726  -9.983   6.696
  229   2HB   LYS  31          1HB       LYS  31  -2.052  -8.309   7.120
  230   1HG   LYS  31          2HG       LYS  31  -4.046  -9.035   7.776
  231   2HG   LYS  31          1HG       LYS  31  -4.443  -9.126   6.059
  232   1HD   LYS  31          2HD       LYS  31  -5.017 -11.220   7.034
  233   2HD   LYS  31          1HD       LYS  31  -3.555 -11.474   6.080
  234   1HE   LYS  31          2HE       LYS  31  -2.966 -10.712   8.815
  235   2HE   LYS  31          1HE       LYS  31  -3.946 -12.175   8.731
  236   1HZ   LYS  31          1HZ       LYS  31  -1.578 -11.922   7.007
  237   2HZ   LYS  31          2HZ       LYS  31  -2.316 -13.317   7.625
  238   3HZ   LYS  31          3HZ       LYS  31  -1.380 -12.330   8.640
  239    H    THR  32           H        THR  32  -1.551  -7.287   3.040
  240    HA   THR  32           HA       THR  32   0.586  -5.895   4.482
  241    HB   THR  32           HB       THR  32   1.484  -7.548   2.810
  242    HG1  THR  32           1HG      THR  32   3.104  -6.261   2.999
  243   1HG2  THR  32          1HG2      THR  32   0.110  -5.673   0.933
  244   2HG2  THR  32          2HG2      THR  32   0.120  -7.437   0.927
  245   3HG2  THR  32          3HG2      THR  32   1.559  -6.547   0.432
  246    H    THR  33           H        THR  33   1.227  -3.896   3.279
  247    HA   THR  33           HA       THR  33  -1.208  -2.512   2.338
  248    HB   THR  33           HB       THR  33   0.278  -0.629   3.825
  249    HG1  THR  33           1HG      THR  33   1.117  -2.667   4.845
  250   1HG2  THR  33          1HG2      THR  33  -2.307  -2.075   4.397
  251   2HG2  THR  33          2HG2      THR  33  -2.112  -0.553   3.523
  252   3HG2  THR  33          3HG2      THR  33  -1.754  -0.632   5.248
  253    H    THR  34           H        THR  34  -0.750  -1.891   0.303
  254    HA   THR  34           HA       THR  34   1.827  -0.531  -0.148
  255    HB   THR  34           HB       THR  34   1.637  -2.794  -1.267
  256    HG1  THR  34           1HG      THR  34   2.357  -1.874  -3.360
  257   1HG2  THR  34          1HG2      THR  34   0.219  -2.008  -3.586
  258   2HG2  THR  34          2HG2      THR  34  -0.820  -1.669  -2.199
  259   3HG2  THR  34          3HG2      THR  34  -0.180  -3.293  -2.446
  260    H    TRP  35           H        TRP  35   1.778   1.352  -1.427
  261    HA   TRP  35           HA       TRP  35  -0.864   2.537  -1.783
  262   1HB   TRP  35          2HB       TRP  35   1.764   3.803  -2.538
  263   2HB   TRP  35          1HB       TRP  35   0.235   4.594  -2.208
  264    HD1  TRP  35           HD       TRP  35   3.237   3.047  -0.463
  265    HE1  TRP  35           1HE      TRP  35   3.284   3.854   1.967
  266    HE3  TRP  35           3HE      TRP  35  -1.300   5.388  -0.321
  267    HZ2  TRP  35           2HZ      TRP  35   1.598   5.322   3.728
  268    HZ3  TRP  35           3HZ      TRP  35  -2.004   6.469   1.758
  269    HH2  TRP  35           HH       TRP  35  -0.591   6.440   3.733
  270    H    GLU  36           H        GLU  36   1.833   1.309  -3.573
  271    HA   GLU  36           HA       GLU  36   1.085   2.389  -6.095
  272   1HB   GLU  36          2HB       GLU  36   2.938   0.078  -5.501
  273   2HB   GLU  36          1HB       GLU  36   2.893   1.040  -6.975
  274   1HG   GLU  36          2HG       GLU  36   3.287   2.599  -4.521
  275   2HG   GLU  36          1HG       GLU  36   4.586   1.459  -4.881
  276    H    ASP  37           H        ASP  37  -0.439   1.707  -7.389
  277    HA   ASP  37           HA       ASP  37  -2.122  -0.472  -6.863
  278   1HB   ASP  37          2HB       ASP  37  -2.789   1.531  -8.146
  279   2HB   ASP  37          1HB       ASP  37  -1.730   1.049  -9.452
  280    HA   PRO  38           HA       PRO  38   0.658  -3.654  -8.311
  281   1HB   PRO  38          2HB       PRO  38  -1.059  -5.733  -7.869
  282   2HB   PRO  38          1HB       PRO  38  -0.083  -4.976  -6.607
  283   1HG   PRO  38          2HG       PRO  38  -2.962  -4.558  -7.288
  284   2HG   PRO  38          1HG       PRO  38  -2.188  -4.661  -5.697
  285   1HD   PRO  38          2HD       PRO  38  -2.904  -2.307  -6.823
  286   2HD   PRO  38          1HD       PRO  38  -1.498  -2.464  -5.752
  287    H    ARG  39           H        ARG  39  -2.347  -2.747  -9.683
  288    HA   ARG  39           HA       ARG  39  -2.176  -4.733 -11.817
  289   1HB   ARG  39          2HB       ARG  39  -4.189  -2.506 -11.603
  290   2HB   ARG  39          1HB       ARG  39  -4.325  -4.017 -12.489
  291   1HG   ARG  39          2HG       ARG  39  -4.842  -5.228 -10.617
  292   2HG   ARG  39          1HG       ARG  39  -4.000  -4.121  -9.536
  293   1HD   ARG  39          2HD       ARG  39  -6.735  -3.924 -10.709
  294   2HD   ARG  39          1HD       ARG  39  -6.204  -3.660  -9.048
  295    HE   ARG  39           HE       ARG  39  -5.168  -1.556  -9.887
  296   1HH1  ARG  39          2HH1      ARG  39  -7.864  -3.029 -11.577
  297   2HH1  ARG  39          1HH1      ARG  39  -8.342  -1.564 -12.382
  298   1HH2  ARG  39          2HH2      ARG  39  -5.787   0.372 -10.906
  299   2HH2  ARG  39          1HH2      ARG  39  -7.153   0.388 -11.995
  300    H    LEU  40           H        LEU  40  -0.705  -1.929 -11.134
  301    HA   LEU  40           HA       LEU  40  -0.788  -0.615 -13.682
  302   1HB   LEU  40          2HB       LEU  40   1.025  -0.412 -11.292
  303   2HB   LEU  40          1HB       LEU  40   1.323   0.507 -12.754
  304    HG   LEU  40           HG       LEU  40  -1.200   0.690 -11.115
  305   1HD1  LEU  40          1HD1      LEU  40   0.801   2.883 -11.247
  306   2HD1  LEU  40          2HD1      LEU  40  -0.357   2.481  -9.978
  307   3HD1  LEU  40          3HD1      LEU  40   1.111   1.523 -10.169
  308   1HD2  LEU  40          1HD2      LEU  40  -0.479   1.610 -13.737
  309   2HD2  LEU  40          2HD2      LEU  40  -2.024   1.725 -12.892
  310   3HD2  LEU  40          3HD2      LEU  40  -0.802   2.979 -12.673
  311    H    LYS  41           H        LYS  41   0.637  -3.412 -12.527
  312    HA   LYS  41           HA       LYS  41   2.264  -3.629 -14.955
  313   1HB   LYS  41          2HB       LYS  41   4.018  -4.838 -13.613
  314   2HB   LYS  41          1HB       LYS  41   3.920  -3.110 -13.308
  315   1HG   LYS  41          2HG       LYS  41   3.896  -3.655 -11.151
  316   2HG   LYS  41          1HG       LYS  41   2.220  -4.143 -11.420
  317   1HD   LYS  41          2HD       LYS  41   3.612  -6.348 -12.255
  318   2HD   LYS  41          1HD       LYS  41   4.596  -5.771 -10.907
  319   1HE   LYS  41          2HE       LYS  41   3.131  -7.099  -9.769
  320   2HE   LYS  41          1HE       LYS  41   2.236  -5.580  -9.733
  321   1HZ   LYS  41          1HZ       LYS  41   1.789  -7.930 -11.477
  322   2HZ   LYS  41          2HZ       LYS  41   1.123  -6.409 -11.838
  323   3HZ   LYS  41          3HZ       LYS  41   0.702  -7.201 -10.397
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1 -15.258  -0.614 -25.991
    2   2H    GLY   1          2H        GLY   1 -13.661  -0.254 -26.437
    3   3H    GLY   1          3H        GLY   1 -14.622   0.930 -25.697
    4   1HA   GLY   1          2HA       GLY   1 -14.705  -1.118 -23.915
    5   2HA   GLY   1          1HA       GLY   1 -13.054  -1.157 -24.515
    6    H    SER   2           H        SER   2 -11.644   0.449 -23.983
    7    HA   SER   2           HA       SER   2 -10.710   2.137 -22.798
    8   1HB   SER   2          2HB       SER   2 -13.386   3.511 -22.684
    9   2HB   SER   2          1HB       SER   2 -11.780   4.230 -22.797
   10    HG   SER   2           HG       SER   2 -11.701   3.803 -24.908
   11    HA   PRO   3           HA       PRO   3 -12.511   0.740 -18.788
   12   1HB   PRO   3          2HB       PRO   3 -10.368  -0.993 -18.235
   13   2HB   PRO   3          1HB       PRO   3 -11.972  -1.458 -18.801
   14   1HG   PRO   3          2HG       PRO   3  -9.554  -1.712 -20.217
   15   2HG   PRO   3          1HG       PRO   3 -11.186  -1.912 -20.873
   16   1HD   PRO   3          2HD       PRO   3  -9.354   0.428 -21.017
   17   2HD   PRO   3          1HD       PRO   3 -10.568  -0.134 -22.187
   18    H    GLY   4           H        GLY   4 -10.293  -0.012 -16.956
   19   1HA   GLY   4          1HA       GLY   4  -8.276   1.069 -16.141
   20   2HA   GLY   4          2HA       GLY   4  -8.886   2.578 -16.800
   21    H    ILE   5           H        ILE   5 -11.108   3.214 -15.858
   22    HA   ILE   5           HA       ILE   5 -10.811   3.114 -12.971
   23    HB   ILE   5           HB       ILE   5 -12.922   4.767 -14.272
   24   1HG1  ILE   5          2HG1      ILE   5 -10.446   6.244 -14.012
   25   2HG1  ILE   5          1HG1      ILE   5 -10.248   4.892 -15.122
   26   1HG2  ILE   5          1HG2      ILE   5 -12.455   6.280 -12.451
   27   2HG2  ILE   5          2HG2      ILE   5 -12.694   4.649 -11.825
   28   3HG2  ILE   5          3HG2      ILE   5 -11.065   5.310 -11.961
   29   1HD1  ILE   5          1HD1      ILE   5 -12.241   5.698 -16.362
   30   2HD1  ILE   5          2HD1      ILE   5 -12.271   7.109 -15.305
   31   3HD1  ILE   5          3HD1      ILE   5 -10.889   6.831 -16.363
   32    H    GLN   6           H        GLN   6 -12.530   1.638 -15.335
   33    HA   GLN   6           HA       GLN   6 -14.878   1.059 -13.701
   34   1HB   GLN   6          2HB       GLN   6 -14.187   0.160 -16.508
   35   2HB   GLN   6          1HB       GLN   6 -15.707  -0.160 -15.682
   36   1HG   GLN   6          2HG       GLN   6 -16.438   1.677 -16.698
   37   2HG   GLN   6          1HG       GLN   6 -15.504   2.553 -15.486
   38   1HE2  GLN   6          1HE2      GLN   6 -15.183   1.031 -18.662
   39   2HE2  GLN   6          2HE2      GLN   6 -14.057   2.193 -19.296
   40    H    SER   7           H        SER   7 -11.839  -0.190 -14.480
   41    HA   SER   7           HA       SER   7 -12.534  -2.876 -13.547
   42   1HB   SER   7          2HB       SER   7  -9.822  -2.786 -14.296
   43   2HB   SER   7          1HB       SER   7 -11.154  -3.493 -15.209
   44    HG   SER   7           HG       SER   7  -9.810  -1.782 -16.254
   45    H    PHE   8           H        PHE   8 -12.005  -3.458 -11.527
   46    HA   PHE   8           HA       PHE   8 -10.267  -1.641 -10.014
   47   1HB   PHE   8          2HB       PHE   8 -12.839  -2.870  -9.463
   48   2HB   PHE   8          1HB       PHE   8 -11.678  -3.228  -8.192
   49    HD1  PHE   8           1HD      PHE   8 -13.957  -0.845  -9.491
   50    HD2  PHE   8           2HD      PHE   8 -10.392  -1.225  -7.198
   51    HE1  PHE   8           1HE      PHE   8 -14.331   1.396  -8.547
   52    HE2  PHE   8           2HE      PHE   8 -10.764   1.013  -6.242
   53    HZ   PHE   8           HZ       PHE   8 -12.734   2.326  -6.919
   54    H    LEU   9           H        LEU   9  -9.987  -3.393  -7.805
   55    HA   LEU   9           HA       LEU   9  -8.033  -5.287  -8.890
   56   1HB   LEU   9          2HB       LEU   9  -8.235  -4.847  -5.963
   57   2HB   LEU   9          1HB       LEU   9  -6.821  -5.030  -6.976
   58    HG   LEU   9           HG       LEU   9  -7.845  -2.578  -7.755
   59   1HD1  LEU   9          1HD1      LEU   9  -8.218  -3.002  -4.803
   60   2HD1  LEU   9          2HD1      LEU   9  -7.924  -1.406  -5.495
   61   3HD1  LEU   9          3HD1      LEU   9  -9.354  -2.323  -5.968
   62   1HD2  LEU   9          1HD2      LEU   9  -5.810  -2.678  -5.607
   63   2HD2  LEU   9          2HD2      LEU   9  -5.482  -3.592  -7.082
   64   3HD2  LEU   9          3HD2      LEU   9  -5.776  -1.854  -7.167
   65    HA   PRO  10           HA       PRO  10 -10.244  -8.920  -7.463
   66   1HB   PRO  10          2HB       PRO  10  -8.115  -9.574  -5.505
   67   2HB   PRO  10          1HB       PRO  10  -8.739 -10.536  -6.849
   68   1HG   PRO  10          2HG       PRO  10  -6.333  -9.401  -6.995
   69   2HG   PRO  10          1HG       PRO  10  -7.398  -9.466  -8.411
   70   1HD   PRO  10          2HD       PRO  10  -6.850  -7.179  -6.556
   71   2HD   PRO  10          1HD       PRO  10  -6.990  -7.173  -8.327
   72    HA   PRO  11           HA       PRO  11 -12.501  -7.641  -3.922
   73   1HB   PRO  11          2HB       PRO  11 -13.533 -10.013  -3.037
   74   2HB   PRO  11          1HB       PRO  11 -14.135  -9.142  -4.452
   75   1HG   PRO  11          2HG       PRO  11 -12.243 -11.459  -4.314
   76   2HG   PRO  11          1HG       PRO  11 -13.598 -11.185  -5.425
   77   1HD   PRO  11          2HD       PRO  11 -11.054 -10.744  -6.165
   78   2HD   PRO  11          1HD       PRO  11 -12.385  -9.716  -6.742
   79    H    GLY  12           H        GLY  12  -9.761  -9.540  -3.576
   80   1HA   GLY  12          1HA       GLY  12  -9.911  -9.664  -0.662
   81   2HA   GLY  12          2HA       GLY  12  -8.616 -10.310  -1.666
   82    H    TRP  13           H        TRP  13  -8.960  -7.499  -3.048
   83    HA   TRP  13           HA       TRP  13  -6.940  -6.213  -1.361
   84   1HB   TRP  13          2HB       TRP  13  -7.686  -5.949  -4.266
   85   2HB   TRP  13          1HB       TRP  13  -6.716  -4.723  -3.457
   86    HD1  TRP  13           HD       TRP  13  -6.569  -8.383  -4.587
   87    HE1  TRP  13           1HE      TRP  13  -4.106  -9.116  -4.657
   88    HE3  TRP  13           3HE      TRP  13  -4.432  -4.230  -2.507
   89    HZ2  TRP  13           2HZ      TRP  13  -1.588  -8.069  -3.922
   90    HZ3  TRP  13           3HZ      TRP  13  -1.989  -4.174  -2.232
   91    HH2  TRP  13           HH       TRP  13  -0.594  -6.053  -2.925
   92    H    GLU  14           H        GLU  14  -7.698  -4.779   0.015
   93    HA   GLU  14           HA       GLU  14 -10.181  -3.376  -0.649
   94   1HB   GLU  14          2HB       GLU  14  -9.777  -4.721   1.546
   95   2HB   GLU  14          1HB       GLU  14  -8.874  -3.298   2.049
   96   1HG   GLU  14          2HG       GLU  14 -10.980  -1.985   1.412
   97   2HG   GLU  14          1HG       GLU  14 -11.791  -3.550   1.436
   98    H    MET  15           H        MET  15  -9.667  -1.594  -1.802
   99    HA   MET  15           HA       MET  15  -7.423   0.042  -1.229
  100   1HB   MET  15          2HB       MET  15  -7.993   0.765  -3.267
  101   2HB   MET  15          1HB       MET  15  -9.593   0.056  -3.132
  102   1HG   MET  15          2HG       MET  15 -10.130   2.158  -1.723
  103   2HG   MET  15          1HG       MET  15  -8.676   2.817  -2.474
  104   1HE   MET  15          1HE       MET  15 -12.325   3.579  -3.065
  105   2HE   MET  15          2HE       MET  15 -12.794   2.259  -4.136
  106   3HE   MET  15          3HE       MET  15 -12.151   1.906  -2.532
  107    H    ARG  16           H        ARG  16  -7.145   1.461   0.266
  108    HA   ARG  16           HA       ARG  16  -9.478   2.650   1.611
  109   1HB   ARG  16          2HB       ARG  16  -7.024   1.391   2.738
  110   2HB   ARG  16          1HB       ARG  16  -7.633   2.834   3.537
  111   1HG   ARG  16          2HG       ARG  16  -9.536   1.806   4.258
  112   2HG   ARG  16          1HG       ARG  16  -9.532   0.634   2.938
  113   1HD   ARG  16          2HD       ARG  16  -7.442  -0.336   4.008
  114   2HD   ARG  16          1HD       ARG  16  -7.829   0.657   5.414
  115    HE   ARG  16           HE       ARG  16  -9.997  -1.013   4.486
  116   1HH1  ARG  16          2HH1      ARG  16  -7.179  -0.860   6.579
  117   2HH1  ARG  16          1HH1      ARG  16  -7.781  -2.087   7.661
  118   1HH2  ARG  16          2HH2      ARG  16 -10.752  -2.619   5.891
  119   2HH2  ARG  16          1HH2      ARG  16  -9.811  -3.071   7.281
  120    H    ILE  17           H        ILE  17  -9.507   4.803   1.395
  121    HA   ILE  17           HA       ILE  17  -7.082   6.070   0.375
  122    HB   ILE  17           HB       ILE  17  -9.452   7.779   0.709
  123   1HG1  ILE  17          2HG1      ILE  17 -10.288   5.425  -0.061
  124   2HG1  ILE  17          1HG1      ILE  17 -10.831   6.857  -0.922
  125   1HG2  ILE  17          1HG2      ILE  17  -7.307   8.402  -0.379
  126   2HG2  ILE  17          2HG2      ILE  17  -7.675   7.237  -1.658
  127   3HG2  ILE  17          3HG2      ILE  17  -8.726   8.634  -1.407
  128   1HD1  ILE  17          1HD1      ILE  17  -8.749   4.871  -1.782
  129   2HD1  ILE  17          2HD1      ILE  17 -10.304   5.219  -2.540
  130   3HD1  ILE  17          3HD1      ILE  17  -9.009   6.417  -2.589
  131    H    ALA  18           H        ALA  18  -5.761   6.537   1.939
  132    HA   ALA  18           HA       ALA  18  -6.495   7.215   4.576
  133   1HB   ALA  18          1HB       ALA  18  -4.350   6.405   4.482
  134   2HB   ALA  18          2HB       ALA  18  -3.977   7.257   2.985
  135   3HB   ALA  18          3HB       ALA  18  -4.021   8.137   4.513
  136    HA   PRO  19           HA       PRO  19  -7.495  11.531   4.342
  137   1HB   PRO  19          2HB       PRO  19  -5.787  11.912   6.733
  138   2HB   PRO  19          1HB       PRO  19  -7.500  12.274   6.505
  139   1HG   PRO  19          2HG       PRO  19  -6.729  10.200   7.988
  140   2HG   PRO  19          1HG       PRO  19  -8.156  10.098   6.939
  141   1HD   PRO  19          2HD       PRO  19  -5.402   9.006   6.506
  142   2HD   PRO  19          1HD       PRO  19  -6.977   8.272   6.140
  143    H    ASN  20           H        ASN  20  -4.384  10.333   4.057
  144    HA   ASN  20           HA       ASN  20  -2.915  12.752   3.728
  145   1HB   ASN  20          2HB       ASN  20  -2.386   9.954   3.656
  146   2HB   ASN  20          1HB       ASN  20  -1.826  10.636   2.134
  147   1HD2  ASN  20          1HD2      ASN  20  -0.192   9.506   4.136
  148   2HD2  ASN  20          2HD2      ASN  20   0.852  10.753   4.732
  149    H    GLY  21           H        GLY  21  -5.090  10.930   1.784
  150   1HA   GLY  21          1HA       GLY  21  -6.073  11.823  -0.201
  151   2HA   GLY  21          2HA       GLY  21  -4.593  12.732  -0.485
  152    H    ARG  22           H        ARG  22  -3.814   9.669   0.535
  153    HA   ARG  22           HA       ARG  22  -3.345   8.806  -2.237
  154   1HB   ARG  22          2HB       ARG  22  -1.961   7.500   0.062
  155   2HB   ARG  22          1HB       ARG  22  -1.412   7.729  -1.589
  156   1HG   ARG  22          2HG       ARG  22  -1.742  10.223  -0.115
  157   2HG   ARG  22          1HG       ARG  22  -0.558   9.125   0.591
  158   1HD   ARG  22          2HD       ARG  22  -0.201   9.126  -2.230
  159   2HD   ARG  22          1HD       ARG  22  -0.268  10.800  -1.679
  160    HE   ARG  22           HE       ARG  22   1.719   8.781  -0.923
  161   1HH1  ARG  22          2HH1      ARG  22   0.533  12.084  -0.750
  162   2HH1  ARG  22          1HH1      ARG  22   1.988  12.692   0.003
  163   1HH2  ARG  22          2HH2      ARG  22   3.624   9.594   0.043
  164   2HH2  ARG  22          1HH2      ARG  22   3.735  11.281   0.435
  165    HA   PRO  23           HA       PRO  23  -6.164   5.384  -1.325
  166   1HB   PRO  23          2HB       PRO  23  -5.395   4.659  -4.074
  167   2HB   PRO  23          1HB       PRO  23  -6.996   4.893  -3.376
  168   1HG   PRO  23          2HG       PRO  23  -5.955   6.670  -5.097
  169   2HG   PRO  23          1HG       PRO  23  -6.957   7.190  -3.726
  170   1HD   PRO  23          2HD       PRO  23  -3.966   7.208  -4.002
  171   2HD   PRO  23          1HD       PRO  23  -5.041   8.455  -3.326
  172    H    PHE  24           H        PHE  24  -5.159   3.930  -0.087
  173    HA   PHE  24           HA       PHE  24  -2.850   2.556  -1.269
  174   1HB   PHE  24          2HB       PHE  24  -1.929   2.153   0.875
  175   2HB   PHE  24          1HB       PHE  24  -2.406   3.836   0.862
  176    HD1  PHE  24           1HD      PHE  24  -3.344   0.476   2.137
  177    HD2  PHE  24           2HD      PHE  24  -3.908   4.689   2.425
  178    HE1  PHE  24           1HE      PHE  24  -4.544   0.167   4.254
  179    HE2  PHE  24           2HE      PHE  24  -5.113   4.383   4.543
  180    HZ   PHE  24           HZ       PHE  24  -5.434   2.121   5.463
  181    H    PHE  25           H        PHE  25  -2.847   0.404  -1.430
  182    HA   PHE  25           HA       PHE  25  -5.478  -0.826  -1.063
  183   1HB   PHE  25          2HB       PHE  25  -3.235  -1.864  -2.792
  184   2HB   PHE  25          1HB       PHE  25  -4.942  -2.293  -2.858
  185    HD1  PHE  25           1HD      PHE  25  -2.393  -0.069  -4.054
  186    HD2  PHE  25           2HD      PHE  25  -6.598  -0.548  -3.609
  187    HE1  PHE  25           1HE      PHE  25  -2.769   1.690  -5.731
  188    HE2  PHE  25           2HE      PHE  25  -6.980   1.209  -5.288
  189    HZ   PHE  25           HZ       PHE  25  -5.063   2.330  -6.352
  190    H    ILE  26           H        ILE  26  -5.728  -2.070   0.569
  191    HA   ILE  26           HA       ILE  26  -3.384  -3.409   1.673
  192    HB   ILE  26           HB       ILE  26  -4.783  -1.858   3.109
  193   1HG1  ILE  26          2HG1      ILE  26  -3.210  -3.826   3.771
  194   2HG1  ILE  26          1HG1      ILE  26  -4.160  -2.993   4.995
  195   1HG2  ILE  26          1HG2      ILE  26  -6.720  -3.213   4.230
  196   2HG2  ILE  26          2HG2      ILE  26  -6.985  -2.219   2.795
  197   3HG2  ILE  26          3HG2      ILE  26  -6.800  -3.967   2.635
  198   1HD1  ILE  26          1HD1      ILE  26  -5.842  -4.808   4.838
  199   2HD1  ILE  26          2HD1      ILE  26  -4.757  -5.659   3.739
  200   3HD1  ILE  26          3HD1      ILE  26  -4.261  -5.345   5.403
  201    H    ASP  27           H        ASP  27  -3.094  -5.385   1.041
  202    HA   ASP  27           HA       ASP  27  -5.244  -6.985  -0.032
  203   1HB   ASP  27          2HB       ASP  27  -3.025  -7.134  -1.052
  204   2HB   ASP  27          1HB       ASP  27  -2.341  -7.675   0.480
  205    H    HIS  28           H        HIS  28  -6.437  -8.393   1.066
  206    HA   HIS  28           HA       HIS  28  -5.819  -8.752   3.891
  207   1HB   HIS  28          2HB       HIS  28  -8.264  -9.283   2.222
  208   2HB   HIS  28          1HB       HIS  28  -8.118  -9.910   3.864
  209    HD1  HIS  28           1HD      HIS  28  -7.455  -7.864   5.676
  210    HD2  HIS  28           2HD      HIS  28  -9.432  -6.859   2.152
  211    HE1  HIS  28           1HE      HIS  28  -8.439  -5.582   6.073
  212    HE2  HIS  28           2HE      HIS  28  -9.801  -5.090   4.008
  213    H    ASN  29           H        ASN  29  -5.208 -10.333   1.023
  214    HA   ASN  29           HA       ASN  29  -5.409 -13.025   2.042
  215   1HB   ASN  29          2HB       ASN  29  -4.066 -11.972  -0.459
  216   2HB   ASN  29          1HB       ASN  29  -4.399 -13.660  -0.097
  217   1HD2  ASN  29          1HD2      ASN  29  -5.544 -10.841  -1.522
  218   2HD2  ASN  29          2HD2      ASN  29  -7.162 -11.370  -1.841
  219    H    THR  30           H        THR  30  -2.731 -10.903   1.000
  220    HA   THR  30           HA       THR  30  -0.835 -12.572   2.465
  221    HB   THR  30           HB       THR  30   0.902 -11.215   1.386
  222    HG1  THR  30           1HG      THR  30  -1.138  -9.861  -0.059
  223   1HG2  THR  30          1HG2      THR  30  -1.283 -12.221  -0.436
  224   2HG2  THR  30          2HG2      THR  30   0.151 -13.095   0.109
  225   3HG2  THR  30          3HG2      THR  30   0.315 -11.738  -1.008
  226    H    LYS  31           H        LYS  31  -2.690  -9.818   3.000
  227    HA   LYS  31           HA       LYS  31  -2.796  -8.234   4.597
  228   1HB   LYS  31          2HB       LYS  31  -1.218 -10.376   5.889
  229   2HB   LYS  31          1HB       LYS  31  -1.116  -8.788   6.638
  230   1HG   LYS  31          2HG       LYS  31  -3.242  -8.850   7.371
  231   2HG   LYS  31          1HG       LYS  31  -3.826  -9.697   5.939
  232   1HD   LYS  31          2HD       LYS  31  -2.235 -10.967   8.164
  233   2HD   LYS  31          1HD       LYS  31  -3.989 -11.053   8.006
  234   1HE   LYS  31          2HE       LYS  31  -3.881 -12.631   6.413
  235   2HE   LYS  31          1HE       LYS  31  -2.540 -11.838   5.591
  236   1HZ   LYS  31          1HZ       LYS  31  -1.396 -13.601   6.331
  237   2HZ   LYS  31          2HZ       LYS  31  -2.506 -13.954   7.566
  238   3HZ   LYS  31          3HZ       LYS  31  -1.338 -12.747   7.800
  239    H    THR  32           H        THR  32  -1.523  -7.272   2.629
  240    HA   THR  32           HA       THR  32   0.839  -5.927   3.757
  241    HB   THR  32           HB       THR  32   0.636  -6.283   0.803
  242    HG1  THR  32           1HG      THR  32   0.522  -8.414   1.218
  243   1HG2  THR  32          1HG2      THR  32   2.586  -5.418   2.736
  244   2HG2  THR  32          2HG2      THR  32   2.610  -5.269   0.978
  245   3HG2  THR  32          3HG2      THR  32   3.232  -6.728   1.749
  246    H    THR  33           H        THR  33   1.172  -3.772   3.034
  247    HA   THR  33           HA       THR  33  -1.265  -2.456   2.002
  248    HB   THR  33           HB       THR  33   0.146  -0.578   3.547
  249    HG1  THR  33           1HG      THR  33   1.100  -2.621   4.477
  250   1HG2  THR  33          1HG2      THR  33  -1.844  -0.437   4.801
  251   2HG2  THR  33          2HG2      THR  33  -2.263  -2.120   4.478
  252   3HG2  THR  33          3HG2      THR  33  -2.344  -0.925   3.182
  253    H    THR  34           H        THR  34  -0.809  -1.671   0.025
  254    HA   THR  34           HA       THR  34   1.796  -0.344  -0.343
  255    HB   THR  34           HB       THR  34   1.793  -2.408  -1.630
  256    HG1  THR  34           1HG      THR  34   2.709  -1.396  -3.258
  257   1HG2  THR  34          1HG2      THR  34  -0.195  -3.169  -2.330
  258   2HG2  THR  34          2HG2      THR  34   0.022  -2.087  -3.704
  259   3HG2  THR  34          3HG2      THR  34  -0.920  -1.560  -2.310
  260    H    TRP  35           H        TRP  35   1.818   1.557  -1.534
  261    HA   TRP  35           HA       TRP  35  -0.743   2.932  -1.751
  262   1HB   TRP  35          2HB       TRP  35   2.020   3.997  -2.329
  263   2HB   TRP  35          1HB       TRP  35   0.556   4.924  -2.058
  264    HD1  TRP  35           HD       TRP  35   3.318   3.088  -0.223
  265    HE1  TRP  35           1HE      TRP  35   3.171   3.629   2.285
  266    HE3  TRP  35           3HE      TRP  35  -1.155   5.549  -0.200
  267    HZ2  TRP  35           2HZ      TRP  35   1.379   4.954   4.042
  268    HZ3  TRP  35           3HZ      TRP  35  -2.014   6.414   1.919
  269    HH2  TRP  35           HH       TRP  35  -0.777   6.133   3.993
  270    H    GLU  36           H        GLU  36   1.211   1.059  -3.593
  271    HA   GLU  36           HA       GLU  36   0.628   2.455  -6.110
  272   1HB   GLU  36          2HB       GLU  36   2.605   0.242  -6.001
  273   2HB   GLU  36          1HB       GLU  36   2.649   1.743  -6.920
  274   1HG   GLU  36          2HG       GLU  36   3.339   2.988  -5.010
  275   2HG   GLU  36          1HG       GLU  36   3.046   1.622  -3.937
  276    H    ASP  37           H        ASP  37  -0.721   1.552  -7.502
  277    HA   ASP  37           HA       ASP  37  -2.314  -0.634  -6.740
  278   1HB   ASP  37          2HB       ASP  37  -3.358   0.950  -8.099
  279   2HB   ASP  37          1HB       ASP  37  -2.038   0.989  -9.248
  280    HA   PRO  38           HA       PRO  38   0.580  -3.813  -7.718
  281   1HB   PRO  38          2HB       PRO  38  -1.052  -5.909  -7.139
  282   2HB   PRO  38          1HB       PRO  38  -0.273  -4.916  -5.903
  283   1HG   PRO  38          2HG       PRO  38  -3.065  -4.754  -6.982
  284   2HG   PRO  38          1HG       PRO  38  -2.513  -4.679  -5.297
  285   1HD   PRO  38          2HD       PRO  38  -3.140  -2.460  -6.675
  286   2HD   PRO  38          1HD       PRO  38  -1.819  -2.476  -5.489
  287    H    ARG  39           H        ARG  39  -2.425  -3.341  -9.366
  288    HA   ARG  39           HA       ARG  39  -2.217  -5.617 -11.087
  289   1HB   ARG  39          2HB       ARG  39  -3.776  -3.063 -11.487
  290   2HB   ARG  39          1HB       ARG  39  -3.995  -4.558 -12.387
  291   1HG   ARG  39          2HG       ARG  39  -4.927  -5.662 -10.557
  292   2HG   ARG  39          1HG       ARG  39  -4.303  -4.476  -9.408
  293   1HD   ARG  39          2HD       ARG  39  -6.608  -4.233 -11.306
  294   2HD   ARG  39          1HD       ARG  39  -6.570  -3.954  -9.565
  295    HE   ARG  39           HE       ARG  39  -4.927  -2.039 -10.397
  296   1HH1  ARG  39          2HH1      ARG  39  -8.048  -3.031 -11.621
  297   2HH1  ARG  39          1HH1      ARG  39  -8.454  -1.457 -12.234
  298   1HH2  ARG  39          2HH2      ARG  39  -5.405   0.004 -11.239
  299   2HH2  ARG  39          1HH2      ARG  39  -6.931   0.278 -12.037
  300    H    LEU  40           H        LEU  40  -0.685  -2.580 -10.973
  301    HA   LEU  40           HA       LEU  40   0.005  -2.509 -13.779
  302   1HB   LEU  40          2HB       LEU  40   1.362  -0.951 -11.596
  303   2HB   LEU  40          1HB       LEU  40   1.218  -0.538 -13.294
  304    HG   LEU  40           HG       LEU  40  -1.094  -0.587 -11.353
  305   1HD1  LEU  40          1HD1      LEU  40   0.656   1.661 -12.318
  306   2HD1  LEU  40          2HD1      LEU  40  -0.940   1.913 -11.611
  307   3HD1  LEU  40          3HD1      LEU  40   0.336   1.162 -10.656
  308   1HD2  LEU  40          1HD2      LEU  40  -1.965   0.943 -13.312
  309   2HD2  LEU  40          2HD2      LEU  40  -0.807   0.006 -14.256
  310   3HD2  LEU  40          3HD2      LEU  40  -2.109  -0.813 -13.391
  311    H    LYS  41           H        LYS  41   1.110  -4.086 -10.993
  312    HA   LYS  41           HA       LYS  41   3.513  -4.977 -12.397
  313   1HB   LYS  41          2HB       LYS  41   4.580  -4.903  -9.967
  314   2HB   LYS  41          1HB       LYS  41   4.659  -3.522 -11.052
  315   1HG   LYS  41          2HG       LYS  41   2.655  -2.588  -9.923
  316   2HG   LYS  41          1HG       LYS  41   2.732  -3.925  -8.774
  317   1HD   LYS  41          2HD       LYS  41   4.207  -2.791  -7.559
  318   2HD   LYS  41          1HD       LYS  41   5.316  -2.763  -8.932
  319   1HE   LYS  41          2HE       LYS  41   3.804  -0.791  -9.736
  320   2HE   LYS  41          1HE       LYS  41   3.347  -0.703  -8.036
  321   1HZ   LYS  41          1HZ       LYS  41   6.166  -0.916  -8.307
  322   2HZ   LYS  41          2HZ       LYS  41   5.251   0.296  -7.551
  323   3HZ   LYS  41          3HZ       LYS  41   5.588   0.398  -9.213
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1 -20.168 -13.684  -7.716
    2   2H    GLY   1          2H        GLY   1 -21.016 -13.854  -6.258
    3   3H    GLY   1          3H        GLY   1 -21.301 -12.506  -7.255
    4   1HA   GLY   1          2HA       GLY   1 -22.033 -15.330  -7.758
    5   2HA   GLY   1          1HA       GLY   1 -23.113 -13.954  -7.581
    6    H    SER   2           H        SER   2 -24.057 -14.426  -9.599
    7    HA   SER   2           HA       SER   2 -22.449 -14.361 -11.980
    8   1HB   SER   2          2HB       SER   2 -25.154 -13.988 -12.684
    9   2HB   SER   2          1HB       SER   2 -24.219 -15.482 -12.753
   10    HG   SER   2           HG       SER   2 -24.819 -15.787 -10.498
   11    HA   PRO   3           HA       PRO   3 -24.236  -9.973 -12.494
   12   1HB   PRO   3          2HB       PRO   3 -25.811  -8.856 -10.634
   13   2HB   PRO   3          1HB       PRO   3 -26.466  -9.960 -11.851
   14   1HG   PRO   3          2HG       PRO   3 -25.784 -10.477  -8.990
   15   2HG   PRO   3          1HG       PRO   3 -27.172 -11.050  -9.930
   16   1HD   PRO   3          2HD       PRO   3 -24.910 -12.538  -9.399
   17   2HD   PRO   3          1HD       PRO   3 -26.012 -12.833 -10.757
   18    H    GLY   4           H        GLY   4 -23.368  -7.933 -11.876
   19   1HA   GLY   4          1HA       GLY   4 -22.243  -6.441 -10.452
   20   2HA   GLY   4          2HA       GLY   4 -22.109  -7.723  -9.256
   21    H    ILE   5           H        ILE   5 -20.159  -8.491  -8.948
   22    HA   ILE   5           HA       ILE   5 -17.929  -8.864  -9.148
   23    HB   ILE   5           HB       ILE   5 -18.340  -9.332 -12.092
   24   1HG1  ILE   5          2HG1      ILE   5 -18.788 -11.484 -10.045
   25   2HG1  ILE   5          1HG1      ILE   5 -20.115 -10.429 -10.523
   26   1HG2  ILE   5          1HG2      ILE   5 -16.461 -10.638 -11.985
   27   2HG2  ILE   5          2HG2      ILE   5 -16.085  -9.441 -10.749
   28   3HG2  ILE   5          3HG2      ILE   5 -16.693 -11.028 -10.283
   29   1HD1  ILE   5          1HD1      ILE   5 -18.862 -11.350 -12.883
   30   2HD1  ILE   5          2HD1      ILE   5 -19.124 -12.738 -11.829
   31   3HD1  ILE   5          3HD1      ILE   5 -20.480 -11.709 -12.284
   32    H    GLN   6           H        GLN   6 -17.906  -6.444  -8.812
   33    HA   GLN   6           HA       GLN   6 -17.158  -4.814 -11.050
   34   1HB   GLN   6          2HB       GLN   6 -17.370  -4.411  -8.096
   35   2HB   GLN   6          1HB       GLN   6 -16.435  -3.263  -9.044
   36   1HG   GLN   6          2HG       GLN   6 -18.368  -2.198  -9.306
   37   2HG   GLN   6          1HG       GLN   6 -18.726  -3.444 -10.500
   38   1HE2  GLN   6          1HE2      GLN   6 -19.316  -2.292  -7.286
   39   2HE2  GLN   6          2HE2      GLN   6 -20.690  -3.293  -6.956
   40    H    SER   7           H        SER   7 -15.150  -4.289 -11.726
   41    HA   SER   7           HA       SER   7 -13.033  -5.998 -10.701
   42   1HB   SER   7          2HB       SER   7 -11.904  -4.730 -12.807
   43   2HB   SER   7          1HB       SER   7 -12.852  -6.207 -12.949
   44    HG   SER   7           HG       SER   7 -14.649  -4.985 -13.515
   45    H    PHE   8           H        PHE   8 -12.465  -4.968  -8.801
   46    HA   PHE   8           HA       PHE   8 -11.157  -2.362  -9.122
   47   1HB   PHE   8          2HB       PHE   8 -10.847  -3.100  -6.451
   48   2HB   PHE   8          1HB       PHE   8 -11.996  -1.936  -7.085
   49    HD1  PHE   8           1HD      PHE   8 -14.338  -2.595  -7.467
   50    HD2  PHE   8           2HD      PHE   8 -11.542  -5.224  -5.629
   51    HE1  PHE   8           1HE      PHE   8 -16.191  -3.950  -6.582
   52    HE2  PHE   8           2HE      PHE   8 -13.386  -6.582  -4.754
   53    HZ   PHE   8           HZ       PHE   8 -15.715  -5.948  -5.224
   54    H    LEU   9           H        LEU   9 -10.264  -4.852  -6.858
   55    HA   LEU   9           HA       LEU   9  -7.793  -5.385  -8.333
   56   1HB   LEU   9          2HB       LEU   9  -8.040  -5.292  -5.329
   57   2HB   LEU   9          1HB       LEU   9  -6.573  -5.404  -6.278
   58    HG   LEU   9           HG       LEU   9  -8.076  -3.009  -6.923
   59   1HD1  LEU   9          1HD1      LEU   9  -7.349  -1.922  -4.721
   60   2HD1  LEU   9          2HD1      LEU   9  -8.837  -2.878  -4.732
   61   3HD1  LEU   9          3HD1      LEU   9  -7.351  -3.569  -4.078
   62   1HD2  LEU   9          1HD2      LEU   9  -5.788  -3.390  -7.570
   63   2HD2  LEU   9          2HD2      LEU   9  -5.891  -1.995  -6.493
   64   3HD2  LEU   9          3HD2      LEU   9  -5.313  -3.545  -5.876
   65    HA   PRO  10           HA       PRO  10  -8.608  -9.704  -7.696
   66   1HB   PRO  10          2HB       PRO  10  -6.230 -10.222  -6.029
   67   2HB   PRO  10          1HB       PRO  10  -6.627 -10.835  -7.638
   68   1HG   PRO  10          2HG       PRO  10  -4.686  -9.024  -7.288
   69   2HG   PRO  10          1HG       PRO  10  -5.750  -8.973  -8.708
   70   1HD   PRO  10          2HD       PRO  10  -5.890  -7.357  -6.180
   71   2HD   PRO  10          1HD       PRO  10  -6.047  -6.810  -7.857
   72    HA   PRO  11           HA       PRO  11 -10.979 -10.304  -4.050
   73   1HB   PRO  11          2HB       PRO  11 -10.413 -13.054  -3.720
   74   2HB   PRO  11          1HB       PRO  11 -11.788 -12.344  -4.567
   75   1HG   PRO  11          2HG       PRO  11  -9.230 -13.395  -5.651
   76   2HG   PRO  11          1HG       PRO  11 -10.843 -13.378  -6.384
   77   1HD   PRO  11          2HD       PRO  11  -8.917 -11.702  -7.200
   78   2HD   PRO  11          1HD       PRO  11 -10.615 -11.185  -7.123
   79    H    GLY  12           H        GLY  12 -10.183  -9.392  -2.283
   80   1HA   GLY  12          1HA       GLY  12  -9.237 -10.110  -0.074
   81   2HA   GLY  12          2HA       GLY  12  -7.834 -10.630  -0.997
   82    H    TRP  13           H        TRP  13  -8.102  -8.273  -2.801
   83    HA   TRP  13           HA       TRP  13  -6.564  -6.445  -1.177
   84   1HB   TRP  13          2HB       TRP  13  -7.355  -6.497  -4.075
   85   2HB   TRP  13          1HB       TRP  13  -6.517  -5.124  -3.361
   86    HD1  TRP  13           HD       TRP  13  -5.986  -8.729  -4.450
   87    HE1  TRP  13           1HE      TRP  13  -3.473  -9.239  -4.455
   88    HE3  TRP  13           3HE      TRP  13  -4.287  -4.431  -2.280
   89    HZ2  TRP  13           2HZ      TRP  13  -1.080  -7.980  -3.644
   90    HZ3  TRP  13           3HZ      TRP  13  -1.870  -4.158  -1.946
   91    HH2  TRP  13           HH       TRP  13  -0.297  -5.896  -2.623
   92    H    GLU  14           H        GLU  14  -7.425  -4.872  -0.027
   93    HA   GLU  14           HA       GLU  14 -10.064  -3.836  -0.822
   94   1HB   GLU  14          2HB       GLU  14  -9.421  -4.998   1.536
   95   2HB   GLU  14          1HB       GLU  14  -9.061  -3.321   1.914
   96   1HG   GLU  14          2HG       GLU  14 -11.251  -2.662   1.682
   97   2HG   GLU  14          1HG       GLU  14 -11.661  -4.034   0.651
   98    H    MET  15           H        MET  15  -9.690  -2.035  -1.990
   99    HA   MET  15           HA       MET  15  -7.525  -0.262  -1.347
  100   1HB   MET  15          2HB       MET  15  -8.167   1.011  -3.247
  101   2HB   MET  15          1HB       MET  15  -8.368  -0.678  -3.685
  102   1HG   MET  15          2HG       MET  15 -10.679   0.935  -2.680
  103   2HG   MET  15          1HG       MET  15 -10.173   1.015  -4.367
  104   1HE   MET  15          1HE       MET  15 -12.637   0.639  -4.375
  105   2HE   MET  15          2HE       MET  15 -12.499  -0.539  -5.676
  106   3HE   MET  15          3HE       MET  15 -13.451  -0.919  -4.237
  107    H    ARG  16           H        ARG  16  -7.540   1.431  -0.086
  108    HA   ARG  16           HA       ARG  16 -10.053   2.818   0.494
  109   1HB   ARG  16          2HB       ARG  16  -8.262   1.492   2.469
  110   2HB   ARG  16          1HB       ARG  16  -8.906   3.066   2.905
  111   1HG   ARG  16          2HG       ARG  16 -10.624   1.895   3.715
  112   2HG   ARG  16          1HG       ARG  16 -11.143   1.815   2.031
  113   1HD   ARG  16          2HD       ARG  16 -10.673  -0.377   1.857
  114   2HD   ARG  16          1HD       ARG  16  -9.199  -0.235   2.816
  115    HE   ARG  16           HE       ARG  16 -10.450  -0.574   4.770
  116   1HH1  ARG  16          2HH1      ARG  16 -12.454  -0.632   1.899
  117   2HH1  ARG  16          1HH1      ARG  16 -13.796  -1.403   2.686
  118   1HH2  ARG  16          2HH2      ARG  16 -12.215  -1.586   5.822
  119   2HH2  ARG  16          1HH2      ARG  16 -13.671  -1.928   4.928
  120    H    ILE  17           H        ILE  17  -9.691   5.046   1.136
  121    HA   ILE  17           HA       ILE  17  -7.102   5.980   0.098
  122    HB   ILE  17           HB       ILE  17  -9.247   7.973   0.424
  123   1HG1  ILE  17          2HG1      ILE  17 -10.377   5.824  -0.450
  124   2HG1  ILE  17          1HG1      ILE  17 -10.615   7.304  -1.368
  125   1HG2  ILE  17          1HG2      ILE  17  -7.115   8.545  -0.536
  126   2HG2  ILE  17          2HG2      ILE  17  -7.298   7.296  -1.769
  127   3HG2  ILE  17          3HG2      ILE  17  -8.374   8.695  -1.763
  128   1HD1  ILE  17          1HD1      ILE  17  -8.606   5.171  -2.050
  129   2HD1  ILE  17          2HD1      ILE  17 -10.204   5.329  -2.777
  130   3HD1  ILE  17          3HD1      ILE  17  -9.000   6.600  -3.007
  131    H    ALA  18           H        ALA  18  -5.713   6.854   1.437
  132    HA   ALA  18           HA       ALA  18  -6.520   7.417   4.166
  133   1HB   ALA  18          1HB       ALA  18  -4.117   7.662   4.581
  134   2HB   ALA  18          2HB       ALA  18  -4.486   6.140   3.771
  135   3HB   ALA  18          3HB       ALA  18  -3.802   7.485   2.856
  136    HA   PRO  19           HA       PRO  19  -7.131  11.711   3.972
  137   1HB   PRO  19          2HB       PRO  19  -5.177  12.095   6.173
  138   2HB   PRO  19          1HB       PRO  19  -6.882  12.552   6.083
  139   1HG   PRO  19          2HG       PRO  19  -6.117  10.483   7.560
  140   2HG   PRO  19          1HG       PRO  19  -7.616  10.414   6.614
  141   1HD   PRO  19          2HD       PRO  19  -4.947   9.192   6.031
  142   2HD   PRO  19          1HD       PRO  19  -6.570   8.513   5.797
  143    H    ASN  20           H        ASN  20  -3.897  10.601   3.519
  144    HA   ASN  20           HA       ASN  20  -2.774  13.223   3.080
  145   1HB   ASN  20          2HB       ASN  20  -1.175  11.274   1.766
  146   2HB   ASN  20          1HB       ASN  20  -0.830  12.134   3.261
  147   1HD2  ASN  20          1HD2      ASN  20  -0.302  10.836   4.852
  148   2HD2  ASN  20          2HD2      ASN  20  -0.920   9.236   5.112
  149    H    GLY  21           H        GLY  21  -4.605  10.977   1.282
  150   1HA   GLY  21          1HA       GLY  21  -5.720  11.816  -0.699
  151   2HA   GLY  21          2HA       GLY  21  -4.237  12.665  -1.112
  152    H    ARG  22           H        ARG  22  -3.515   9.653   0.100
  153    HA   ARG  22           HA       ARG  22  -3.124   8.654  -2.629
  154   1HB   ARG  22          2HB       ARG  22  -1.507   7.088  -1.045
  155   2HB   ARG  22          1HB       ARG  22  -0.985   8.465  -2.000
  156   1HG   ARG  22          2HG       ARG  22  -1.998   9.218   0.623
  157   2HG   ARG  22          1HG       ARG  22  -0.618   8.127   0.689
  158   1HD   ARG  22          2HD       ARG  22   0.183   9.866  -1.237
  159   2HD   ARG  22          1HD       ARG  22  -0.776  10.922  -0.203
  160    HE   ARG  22           HE       ARG  22   0.965   9.371   1.387
  161   1HH1  ARG  22          2HH1      ARG  22   1.015  12.047  -0.885
  162   2HH1  ARG  22          1HH1      ARG  22   2.461  12.750  -0.223
  163   1HH2  ARG  22          2HH2      ARG  22   2.844  10.300   2.267
  164   2HH2  ARG  22          1HH2      ARG  22   3.503  11.759   1.584
  165    HA   PRO  23           HA       PRO  23  -6.028   5.355  -1.575
  166   1HB   PRO  23          2HB       PRO  23  -5.032   4.463  -4.225
  167   2HB   PRO  23          1HB       PRO  23  -6.694   4.644  -3.660
  168   1HG   PRO  23          2HG       PRO  23  -5.655   6.391  -5.374
  169   2HG   PRO  23          1HG       PRO  23  -6.707   6.941  -4.054
  170   1HD   PRO  23          2HD       PRO  23  -3.718   7.042  -4.261
  171   2HD   PRO  23          1HD       PRO  23  -4.845   8.271  -3.648
  172    H    PHE  24           H        PHE  24  -5.330   3.753  -0.302
  173    HA   PHE  24           HA       PHE  24  -2.904   2.317  -1.126
  174   1HB   PHE  24          2HB       PHE  24  -2.276   1.959   1.099
  175   2HB   PHE  24          1HB       PHE  24  -2.825   3.624   1.088
  176    HD1  PHE  24           1HD      PHE  24  -3.509   0.233   2.283
  177    HD2  PHE  24           2HD      PHE  24  -4.843   4.274   2.210
  178    HE1  PHE  24           1HE      PHE  24  -5.015  -0.237   4.159
  179    HE2  PHE  24           2HE      PHE  24  -6.362   3.808   4.080
  180    HZ   PHE  24           HZ       PHE  24  -6.456   1.548   5.061
  181    H    PHE  25           H        PHE  25  -2.934   0.117  -1.111
  182    HA   PHE  25           HA       PHE  25  -5.620  -1.068  -0.936
  183   1HB   PHE  25          2HB       PHE  25  -3.306  -2.208  -2.491
  184   2HB   PHE  25          1HB       PHE  25  -5.021  -2.570  -2.667
  185    HD1  PHE  25           1HD      PHE  25  -2.296  -0.454  -3.691
  186    HD2  PHE  25           2HD      PHE  25  -6.525  -0.860  -3.651
  187    HE1  PHE  25           1HE      PHE  25  -2.470   1.225  -5.479
  188    HE2  PHE  25           2HE      PHE  25  -6.714   0.815  -5.438
  189    HZ   PHE  25           HZ       PHE  25  -4.681   1.854  -6.360
  190    H    ILE  26           H        ILE  26  -5.916  -2.268   0.746
  191    HA   ILE  26           HA       ILE  26  -3.582  -3.469   1.998
  192    HB   ILE  26           HB       ILE  26  -5.093  -2.010   3.342
  193   1HG1  ILE  26          2HG1      ILE  26  -3.587  -4.037   4.062
  194   2HG1  ILE  26          1HG1      ILE  26  -4.533  -3.130   5.235
  195   1HG2  ILE  26          1HG2      ILE  26  -7.084  -4.035   2.588
  196   2HG2  ILE  26          2HG2      ILE  26  -7.105  -3.507   4.270
  197   3HG2  ILE  26          3HG2      ILE  26  -7.274  -2.323   2.974
  198   1HD1  ILE  26          1HD1      ILE  26  -4.929  -5.887   4.187
  199   2HD1  ILE  26          2HD1      ILE  26  -4.988  -5.290   5.845
  200   3HD1  ILE  26          3HD1      ILE  26  -6.328  -4.968   4.744
  201    H    ASP  27           H        ASP  27  -3.096  -5.374   1.367
  202    HA   ASP  27           HA       ASP  27  -4.986  -7.143   0.113
  203   1HB   ASP  27          2HB       ASP  27  -2.915  -7.425  -0.856
  204   2HB   ASP  27          1HB       ASP  27  -2.053  -7.159   0.656
  205    H    HIS  28           H        HIS  28  -6.149  -8.673   1.093
  206    HA   HIS  28           HA       HIS  28  -5.702  -9.056   3.958
  207   1HB   HIS  28          2HB       HIS  28  -8.092  -9.474   2.175
  208   2HB   HIS  28          1HB       HIS  28  -8.030 -10.128   3.810
  209    HD1  HIS  28           1HD      HIS  28  -7.551  -8.207   5.727
  210    HD2  HIS  28           2HD      HIS  28  -9.035  -6.938   2.053
  211    HE1  HIS  28           1HE      HIS  28  -8.508  -5.921   6.134
  212    HE2  HIS  28           2HE      HIS  28  -9.608  -5.282   3.962
  213    H    ASN  29           H        ASN  29  -4.592 -10.524   1.321
  214    HA   ASN  29           HA       ASN  29  -5.184 -13.257   2.099
  215   1HB   ASN  29          2HB       ASN  29  -3.525 -12.063  -0.128
  216   2HB   ASN  29          1HB       ASN  29  -3.637 -13.791   0.168
  217   1HD2  ASN  29          1HD2      ASN  29  -4.897 -11.234  -1.501
  218   2HD2  ASN  29          2HD2      ASN  29  -6.399 -11.942  -2.002
  219    H    THR  30           H        THR  30  -2.264 -11.289   1.581
  220    HA   THR  30           HA       THR  30  -0.840 -13.042   3.462
  221    HB   THR  30           HB       THR  30   1.231 -12.206   2.449
  222    HG1  THR  30           1HG      THR  30  -0.536 -10.380   1.292
  223   1HG2  THR  30          1HG2      THR  30   0.865 -13.103   0.137
  224   2HG2  THR  30          2HG2      THR  30  -0.863 -13.153   0.493
  225   3HG2  THR  30          3HG2      THR  30   0.258 -14.149   1.423
  226    H    LYS  31           H        LYS  31  -2.388 -10.137   3.305
  227    HA   LYS  31           HA       LYS  31  -2.782  -8.560   4.876
  228   1HB   LYS  31          2HB       LYS  31  -1.267 -10.544   6.376
  229   2HB   LYS  31          1HB       LYS  31  -1.012  -8.911   6.979
  230   1HG   LYS  31          2HG       LYS  31  -2.921  -9.077   8.085
  231   2HG   LYS  31          1HG       LYS  31  -3.769  -9.145   6.539
  232   1HD   LYS  31          2HD       LYS  31  -2.535 -11.633   7.629
  233   2HD   LYS  31          1HD       LYS  31  -4.052 -11.056   8.321
  234   1HE   LYS  31          2HE       LYS  31  -5.237 -11.443   6.401
  235   2HE   LYS  31          1HE       LYS  31  -3.832 -11.216   5.360
  236   1HZ   LYS  31          1HZ       LYS  31  -4.696 -13.554   5.554
  237   2HZ   LYS  31          2HZ       LYS  31  -4.131 -13.554   7.150
  238   3HZ   LYS  31          3HZ       LYS  31  -3.040 -13.360   5.872
  239    H    THR  32           H        THR  32  -1.629  -7.463   2.999
  240    HA   THR  32           HA       THR  32   0.713  -6.039   4.088
  241    HB   THR  32           HB       THR  32   0.518  -5.951   1.184
  242    HG1  THR  32           1HG      THR  32  -0.200  -8.182   1.762
  243   1HG2  THR  32          1HG2      THR  32   2.487  -5.875   3.253
  244   2HG2  THR  32          2HG2      THR  32   2.648  -5.435   1.554
  245   3HG2  THR  32          3HG2      THR  32   2.942  -7.098   2.064
  246    H    THR  33           H        THR  33   0.782  -3.843   3.826
  247    HA   THR  33           HA       THR  33  -1.625  -2.580   2.680
  248    HB   THR  33           HB       THR  33  -0.247  -0.812   4.468
  249    HG1  THR  33           1HG      THR  33  -0.499  -2.017   6.408
  250   1HG2  THR  33          1HG2      THR  33  -2.573  -0.561   3.915
  251   2HG2  THR  33          2HG2      THR  33  -2.432  -0.850   5.649
  252   3HG2  THR  33          3HG2      THR  33  -2.944  -2.154   4.577
  253    H    THR  34           H        THR  34  -0.962  -1.946   0.679
  254    HA   THR  34           HA       THR  34   1.552  -0.423   0.539
  255    HB   THR  34           HB       THR  34   1.768  -2.673  -0.497
  256    HG1  THR  34           1HG      THR  34   2.978  -1.835  -2.058
  257   1HG2  THR  34          1HG2      THR  34  -0.615  -2.779  -1.310
  258   2HG2  THR  34          2HG2      THR  34   0.599  -3.253  -2.496
  259   3HG2  THR  34          3HG2      THR  34  -0.150  -1.661  -2.592
  260    H    TRP  35           H        TRP  35   1.615   1.350  -0.843
  261    HA   TRP  35           HA       TRP  35  -0.986   2.336  -1.748
  262   1HB   TRP  35          2HB       TRP  35   1.515   3.942  -2.065
  263   2HB   TRP  35          1HB       TRP  35  -0.122   4.482  -1.718
  264    HD1  TRP  35           HD       TRP  35   2.907   2.884   0.062
  265    HE1  TRP  35           1HE      TRP  35   2.796   3.503   2.549
  266    HE3  TRP  35           3HE      TRP  35  -1.619   5.246   0.098
  267    HZ2  TRP  35           2HZ      TRP  35   1.009   4.847   4.308
  268    HZ3  TRP  35           3HZ      TRP  35  -2.457   6.161   2.205
  269    HH2  TRP  35           HH       TRP  35  -1.175   5.966   4.264
  270    H    GLU  36           H        GLU  36   1.205   0.347  -2.907
  271    HA   GLU  36           HA       GLU  36   1.630   1.544  -5.519
  272   1HB   GLU  36          2HB       GLU  36   2.473  -1.178  -4.510
  273   2HB   GLU  36          1HB       GLU  36   3.056  -0.364  -5.957
  274   1HG   GLU  36          2HG       GLU  36   3.392   1.071  -3.392
  275   2HG   GLU  36          1HG       GLU  36   4.385  -0.365  -3.648
  276    H    ASP  37           H        ASP  37  -0.030   1.459  -6.857
  277    HA   ASP  37           HA       ASP  37  -2.147  -0.387  -6.756
  278   1HB   ASP  37          2HB       ASP  37  -2.167   1.911  -7.812
  279   2HB   ASP  37          1HB       ASP  37  -1.306   1.216  -9.172
  280    HA   PRO  38           HA       PRO  38   0.138  -3.775  -8.533
  281   1HB   PRO  38          2HB       PRO  38  -2.226  -5.393  -8.097
  282   2HB   PRO  38          1HB       PRO  38  -0.684  -5.440  -7.240
  283   1HG   PRO  38          2HG       PRO  38  -3.013  -4.581  -6.109
  284   2HG   PRO  38          1HG       PRO  38  -1.407  -4.036  -5.597
  285   1HD   PRO  38          2HD       PRO  38  -3.409  -2.661  -7.341
  286   2HD   PRO  38          1HD       PRO  38  -2.347  -1.983  -6.089
  287    H    ARG  39           H        ARG  39  -2.550  -2.217  -9.794
  288    HA   ARG  39           HA       ARG  39  -2.614  -3.988 -12.137
  289   1HB   ARG  39          2HB       ARG  39  -4.480  -1.682 -11.782
  290   2HB   ARG  39          1HB       ARG  39  -4.733  -3.202 -12.620
  291   1HG   ARG  39          2HG       ARG  39  -5.263  -4.338 -10.699
  292   2HG   ARG  39          1HG       ARG  39  -4.381  -3.210  -9.666
  293   1HD   ARG  39          2HD       ARG  39  -6.844  -2.413 -11.189
  294   2HD   ARG  39          1HD       ARG  39  -6.925  -3.130  -9.580
  295    HE   ARG  39           HE       ARG  39  -5.136  -0.904  -9.654
  296   1HH1  ARG  39          2HH1      ARG  39  -8.516  -1.805  -9.497
  297   2HH1  ARG  39          1HH1      ARG  39  -9.011  -0.321  -8.735
  298   1HH2  ARG  39          2HH2      ARG  39  -5.764   1.030  -8.639
  299   2HH2  ARG  39          1HH2      ARG  39  -7.442   1.287  -8.224
  300    H    LEU  40           H        LEU  40  -1.147  -1.263 -10.996
  301    HA   LEU  40           HA       LEU  40  -0.928  -0.013 -13.638
  302   1HB   LEU  40          2HB       LEU  40  -0.341   0.929 -10.854
  303   2HB   LEU  40          1HB       LEU  40   0.376   1.737 -12.234
  304    HG   LEU  40           HG       LEU  40  -2.573   1.456 -11.657
  305   1HD1  LEU  40          1HD1      LEU  40  -1.681   4.132 -11.988
  306   2HD1  LEU  40          2HD1      LEU  40  -2.364   3.367 -10.554
  307   3HD1  LEU  40          3HD1      LEU  40  -0.621   3.338 -10.822
  308   1HD2  LEU  40          1HD2      LEU  40  -1.122   2.031 -14.117
  309   2HD2  LEU  40          2HD2      LEU  40  -2.822   1.638 -13.869
  310   3HD2  LEU  40          3HD2      LEU  40  -2.265   3.299 -13.675
  311    H    LYS  41           H        LYS  41   0.902  -1.626 -11.131
  312    HA   LYS  41           HA       LYS  41   3.123  -1.887 -13.025
  313   1HB   LYS  41          2HB       LYS  41   4.651  -1.788 -10.948
  314   2HB   LYS  41          1HB       LYS  41   4.036  -0.273 -11.594
  315   1HG   LYS  41          2HG       LYS  41   2.510  -0.012  -9.837
  316   2HG   LYS  41          1HG       LYS  41   2.662  -1.698  -9.339
  317   1HD   LYS  41          2HD       LYS  41   5.097   0.011  -9.302
  318   2HD   LYS  41          1HD       LYS  41   3.889   0.250  -8.041
  319   1HE   LYS  41          2HE       LYS  41   4.085  -2.001  -7.303
  320   2HE   LYS  41          1HE       LYS  41   5.042  -2.446  -8.717
  321   1HZ   LYS  41          1HZ       LYS  41   5.928  -0.486  -6.661
  322   2HZ   LYS  41          2HZ       LYS  41   6.854  -1.132  -7.932
  323   3HZ   LYS  41          3HZ       LYS  41   6.357  -2.130  -6.652
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1 -21.730  -9.769 -23.982
    2   2H    GLY   1          2H        GLY   1 -20.064 -10.013 -24.179
    3   3H    GLY   1          3H        GLY   1 -21.066  -9.861 -25.538
    4   1HA   GLY   1          2HA       GLY   1 -19.852  -7.821 -25.204
    5   2HA   GLY   1          1HA       GLY   1 -21.569  -7.567 -24.923
    6    H    SER   2           H        SER   2 -22.329  -7.444 -22.747
    7    HA   SER   2           HA       SER   2 -20.644  -5.984 -21.012
    8   1HB   SER   2          2HB       SER   2 -22.938  -7.169 -19.693
    9   2HB   SER   2          1HB       SER   2 -22.620  -5.472 -20.067
   10    HG   SER   2           HG       SER   2 -24.253  -5.790 -21.388
   11    HA   PRO   3           HA       PRO   3 -18.601  -9.562 -19.276
   12   1HB   PRO   3          2HB       PRO   3 -17.334  -7.659 -17.455
   13   2HB   PRO   3          1HB       PRO   3 -16.601  -8.659 -18.712
   14   1HG   PRO   3          2HG       PRO   3 -16.811  -5.971 -18.930
   15   2HG   PRO   3          1HG       PRO   3 -16.873  -7.053 -20.332
   16   1HD   PRO   3          2HD       PRO   3 -19.116  -5.698 -18.882
   17   2HD   PRO   3          1HD       PRO   3 -18.883  -5.942 -20.627
   18    H    GLY   4           H        GLY   4 -20.202  -7.053 -17.410
   19   1HA   GLY   4          1HA       GLY   4 -21.688  -7.359 -15.638
   20   2HA   GLY   4          2HA       GLY   4 -21.196  -9.044 -15.539
   21    H    ILE   5           H        ILE   5 -18.353  -8.348 -15.474
   22    HA   ILE   5           HA       ILE   5 -18.219  -7.317 -12.727
   23    HB   ILE   5           HB       ILE   5 -16.128  -8.923 -12.633
   24   1HG1  ILE   5          2HG1      ILE   5 -17.529 -11.057 -13.875
   25   2HG1  ILE   5          1HG1      ILE   5 -17.410  -9.761 -15.058
   26   1HG2  ILE   5          1HG2      ILE   5 -18.927  -9.203 -11.897
   27   2HG2  ILE   5          2HG2      ILE   5 -18.086 -10.747 -12.024
   28   3HG2  ILE   5          3HG2      ILE   5 -17.468  -9.493 -10.949
   29   1HD1  ILE   5          1HD1      ILE   5 -14.881  -9.979 -13.854
   30   2HD1  ILE   5          2HD1      ILE   5 -15.425 -11.618 -14.217
   31   3HD1  ILE   5          3HD1      ILE   5 -15.350 -10.410 -15.500
   32    H    GLN   6           H        GLN   6 -17.058  -5.542 -12.621
   33    HA   GLN   6           HA       GLN   6 -15.181  -4.795 -14.654
   34   1HB   GLN   6          2HB       GLN   6 -16.257  -2.966 -13.628
   35   2HB   GLN   6          1HB       GLN   6 -16.009  -3.613 -12.011
   36   1HG   GLN   6          2HG       GLN   6 -14.326  -2.171 -11.862
   37   2HG   GLN   6          1HG       GLN   6 -13.444  -3.267 -12.922
   38   1HE2  GLN   6          1HE2      GLN   6 -12.595  -2.386 -14.673
   39   2HE2  GLN   6          2HE2      GLN   6 -13.146  -0.934 -15.440
   40    H    SER   7           H        SER   7 -15.059  -6.075 -11.419
   41    HA   SER   7           HA       SER   7 -13.412  -6.853 -10.073
   42   1HB   SER   7          2HB       SER   7 -11.818  -7.725 -12.429
   43   2HB   SER   7          1HB       SER   7 -12.231  -8.601 -10.956
   44    HG   SER   7           HG       SER   7 -13.833  -8.119 -13.237
   45    H    PHE   8           H        PHE   8 -12.801  -4.752  -9.449
   46    HA   PHE   8           HA       PHE   8 -10.834  -3.203 -10.747
   47   1HB   PHE   8          2HB       PHE   8 -12.476  -2.872  -8.550
   48   2HB   PHE   8          1HB       PHE   8 -10.868  -2.921  -7.834
   49    HD1  PHE   8           1HD      PHE   8  -9.370  -1.113  -8.068
   50    HD2  PHE   8           2HD      PHE   8 -13.010  -1.174 -10.274
   51    HE1  PHE   8           1HE      PHE   8  -9.026   1.240  -8.697
   52    HE2  PHE   8           2HE      PHE   8 -12.671   1.178 -10.910
   53    HZ   PHE   8           HZ       PHE   8 -10.673   2.389 -10.121
   54    H    LEU   9           H        LEU   9 -10.320  -4.634  -7.547
   55    HA   LEU   9           HA       LEU   9  -7.720  -5.628  -8.492
   56   1HB   LEU   9          2HB       LEU   9  -8.351  -5.173  -5.596
   57   2HB   LEU   9          1HB       LEU   9  -6.789  -5.250  -6.382
   58    HG   LEU   9           HG       LEU   9  -8.329  -3.025  -7.399
   59   1HD1  LEU   9          1HD1      LEU   9  -8.091  -3.347  -4.440
   60   2HD1  LEU   9          2HD1      LEU   9  -7.936  -1.744  -5.166
   61   3HD1  LEU   9          3HD1      LEU   9  -9.415  -2.678  -5.397
   62   1HD2  LEU   9          1HD2      LEU   9  -6.320  -1.902  -7.161
   63   2HD2  LEU   9          2HD2      LEU   9  -5.819  -2.888  -5.784
   64   3HD2  LEU   9          3HD2      LEU   9  -5.812  -3.574  -7.409
   65    HA   PRO  10           HA       PRO  10  -8.829  -9.801  -7.675
   66   1HB   PRO  10          2HB       PRO  10  -6.518 -10.028  -5.818
   67   2HB   PRO  10          1HB       PRO  10  -6.915 -10.991  -7.244
   68   1HG   PRO  10          2HG       PRO  10  -4.956  -9.194  -7.327
   69   2HG   PRO  10          1HG       PRO  10  -6.040  -9.425  -8.712
   70   1HD   PRO  10          2HD       PRO  10  -6.023  -7.246  -6.660
   71   2HD   PRO  10          1HD       PRO  10  -6.341  -7.153  -8.404
   72    HA   PRO  11           HA       PRO  11 -11.330 -10.040  -4.052
   73   1HB   PRO  11          2HB       PRO  11 -10.410 -12.873  -3.887
   74   2HB   PRO  11          1HB       PRO  11 -12.055 -12.223  -3.889
   75   1HG   PRO  11          2HG       PRO  11 -11.069 -13.386  -6.064
   76   2HG   PRO  11          1HG       PRO  11 -12.076 -11.930  -6.194
   77   1HD   PRO  11          2HD       PRO  11  -9.115 -12.220  -6.459
   78   2HD   PRO  11          1HD       PRO  11 -10.230 -11.159  -7.344
   79    H    GLY  12           H        GLY  12 -10.508  -8.977  -2.348
   80   1HA   GLY  12          1HA       GLY  12  -9.706  -9.593  -0.050
   81   2HA   GLY  12          2HA       GLY  12  -8.309 -10.285  -0.864
   82    H    TRP  13           H        TRP  13  -8.496  -7.935  -2.821
   83    HA   TRP  13           HA       TRP  13  -6.751  -6.211  -1.300
   84   1HB   TRP  13          2HB       TRP  13  -7.656  -6.259  -4.166
   85   2HB   TRP  13          1HB       TRP  13  -6.708  -4.923  -3.514
   86    HD1  TRP  13           HD       TRP  13  -6.440  -8.599  -4.469
   87    HE1  TRP  13           1HE      TRP  13  -3.969  -9.266  -4.536
   88    HE3  TRP  13           3HE      TRP  13  -4.420  -4.341  -2.506
   89    HZ2  TRP  13           2HZ      TRP  13  -1.478  -8.134  -3.825
   90    HZ3  TRP  13           3HZ      TRP  13  -1.982  -4.218  -2.225
   91    HH2  TRP  13           HH       TRP  13  -0.540  -6.077  -2.873
   92    H    GLU  14           H        GLU  14  -7.389  -4.558  -0.159
   93    HA   GLU  14           HA       GLU  14  -9.996  -3.336  -0.779
   94   1HB   GLU  14          2HB       GLU  14  -9.489  -4.594   1.466
   95   2HB   GLU  14          1HB       GLU  14  -8.675  -3.095   1.891
   96   1HG   GLU  14          2HG       GLU  14 -10.696  -1.852   1.640
   97   2HG   GLU  14          1HG       GLU  14 -11.537  -3.262   0.991
   98    H    MET  15           H        MET  15  -9.666  -1.480  -1.847
   99    HA   MET  15           HA       MET  15  -7.362   0.158  -1.350
  100   1HB   MET  15          2HB       MET  15  -8.391   1.735  -2.942
  101   2HB   MET  15          1HB       MET  15  -8.264   0.112  -3.590
  102   1HG   MET  15          2HG       MET  15 -10.799   1.092  -2.339
  103   2HG   MET  15          1HG       MET  15 -10.402   1.455  -4.017
  104   1HE   MET  15          1HE       MET  15 -12.327  -1.266  -5.560
  105   2HE   MET  15          2HE       MET  15 -12.795   0.192  -4.686
  106   3HE   MET  15          3HE       MET  15 -11.405   0.221  -5.766
  107    H    ARG  16           H        ARG  16  -7.245   1.071   0.555
  108    HA   ARG  16           HA       ARG  16  -9.606   2.446   1.643
  109   1HB   ARG  16          2HB       ARG  16  -7.127   1.291   2.852
  110   2HB   ARG  16          1HB       ARG  16  -7.892   2.650   3.660
  111   1HG   ARG  16          2HG       ARG  16  -9.820   1.436   4.136
  112   2HG   ARG  16          1HG       ARG  16  -9.471   0.222   2.900
  113   1HD   ARG  16          2HD       ARG  16  -7.581  -0.586   4.211
  114   2HD   ARG  16          1HD       ARG  16  -7.886   0.647   5.433
  115    HE   ARG  16           HE       ARG  16  -9.682  -1.628   4.838
  116   1HH1  ARG  16          2HH1      ARG  16  -8.414   0.807   7.020
  117   2HH1  ARG  16          1HH1      ARG  16  -9.227   0.173   8.413
  118   1HH2  ARG  16          2HH2      ARG  16 -10.775  -2.468   6.685
  119   2HH2  ARG  16          1HH2      ARG  16 -10.583  -1.668   8.223
  120    H    ILE  17           H        ILE  17  -9.708   4.598   1.415
  121    HA   ILE  17           HA       ILE  17  -7.463   5.985   0.251
  122    HB   ILE  17           HB       ILE  17  -9.885   7.460   1.172
  123   1HG1  ILE  17          2HG1      ILE  17 -10.693   5.318   0.114
  124   2HG1  ILE  17          1HG1      ILE  17 -11.207   6.782  -0.712
  125   1HG2  ILE  17          1HG2      ILE  17  -8.250   7.633  -1.351
  126   2HG2  ILE  17          2HG2      ILE  17  -9.488   8.769  -0.814
  127   3HG2  ILE  17          3HG2      ILE  17  -7.987   8.606   0.096
  128   1HD1  ILE  17          1HD1      ILE  17 -10.170   6.208  -2.597
  129   2HD1  ILE  17          2HD1      ILE  17  -8.709   5.703  -1.747
  130   3HD1  ILE  17          3HD1      ILE  17 -10.073   4.594  -1.893
  131    H    ALA  18           H        ALA  18  -5.854   6.594   1.518
  132    HA   ALA  18           HA       ALA  18  -6.271   7.228   4.303
  133   1HB   ALA  18          1HB       ALA  18  -4.125   6.680   4.503
  134   2HB   ALA  18          2HB       ALA  18  -4.123   6.296   2.781
  135   3HB   ALA  18          3HB       ALA  18  -3.646   7.906   3.326
  136    HA   PRO  19           HA       PRO  19  -7.090  11.465   3.980
  137   1HB   PRO  19          2HB       PRO  19  -5.344  11.991   6.293
  138   2HB   PRO  19          1HB       PRO  19  -7.089  12.202   6.126
  139   1HG   PRO  19          2HG       PRO  19  -6.072  10.232   7.613
  140   2HG   PRO  19          1HG       PRO  19  -7.538   9.993   6.642
  141   1HD   PRO  19          2HD       PRO  19  -4.721   9.151   6.056
  142   2HD   PRO  19          1HD       PRO  19  -6.233   8.242   5.841
  143    H    ASN  20           H        ASN  20  -3.975  10.461   3.317
  144    HA   ASN  20           HA       ASN  20  -2.888  13.148   2.998
  145   1HB   ASN  20          2HB       ASN  20  -1.310  11.290   1.541
  146   2HB   ASN  20          1HB       ASN  20  -0.910  12.081   3.058
  147   1HD2  ASN  20          1HD2      ASN  20  -0.544  10.815   4.739
  148   2HD2  ASN  20          2HD2      ASN  20  -1.012   9.151   4.868
  149    H    GLY  21           H        GLY  21  -4.876  10.993   1.358
  150   1HA   GLY  21          1HA       GLY  21  -5.993  11.659  -0.667
  151   2HA   GLY  21          2HA       GLY  21  -4.513  12.467  -1.172
  152    H    ARG  22           H        ARG  22  -3.898   9.491   0.285
  153    HA   ARG  22           HA       ARG  22  -3.454   8.295  -2.359
  154   1HB   ARG  22          2HB       ARG  22  -2.200   7.344   0.198
  155   2HB   ARG  22          1HB       ARG  22  -1.668   7.074  -1.454
  156   1HG   ARG  22          2HG       ARG  22  -1.718   9.818  -0.280
  157   2HG   ARG  22          1HG       ARG  22  -0.371   8.720  -0.008
  158   1HD   ARG  22          2HD       ARG  22  -1.354   9.137  -2.788
  159   2HD   ARG  22          1HD       ARG  22  -0.361  10.389  -2.044
  160    HE   ARG  22           HE       ARG  22   1.462   8.921  -2.023
  161   1HH1  ARG  22          2HH1      ARG  22  -1.386   7.410  -3.410
  162   2HH1  ARG  22          1HH1      ARG  22  -0.508   6.078  -4.090
  163   1HH2  ARG  22          2HH2      ARG  22   2.624   7.180  -2.927
  164   2HH2  ARG  22          1HH2      ARG  22   1.783   5.959  -3.829
  165    HA   PRO  23           HA       PRO  23  -6.461   5.066  -1.173
  166   1HB   PRO  23          2HB       PRO  23  -5.695   4.349  -3.945
  167   2HB   PRO  23          1HB       PRO  23  -7.291   4.411  -3.199
  168   1HG   PRO  23          2HG       PRO  23  -6.506   6.289  -4.933
  169   2HG   PRO  23          1HG       PRO  23  -7.489   6.708  -3.516
  170   1HD   PRO  23          2HD       PRO  23  -4.553   7.072  -3.968
  171   2HD   PRO  23          1HD       PRO  23  -5.710   8.141  -3.142
  172    H    PHE  24           H        PHE  24  -5.312   3.758   0.112
  173    HA   PHE  24           HA       PHE  24  -2.975   2.456  -1.077
  174   1HB   PHE  24          2HB       PHE  24  -1.985   2.184   1.034
  175   2HB   PHE  24          1HB       PHE  24  -2.639   3.808   1.058
  176    HD1  PHE  24           1HD      PHE  24  -4.285   4.447   2.621
  177    HD2  PHE  24           2HD      PHE  24  -3.073   0.374   2.356
  178    HE1  PHE  24           1HE      PHE  24  -5.398   3.983   4.758
  179    HE2  PHE  24           2HE      PHE  24  -4.189  -0.098   4.490
  180    HZ   PHE  24           HZ       PHE  24  -5.358   1.704   5.698
  181    H    PHE  25           H        PHE  25  -2.991   0.412  -1.474
  182    HA   PHE  25           HA       PHE  25  -5.515  -0.969  -1.043
  183   1HB   PHE  25          2HB       PHE  25  -3.209  -1.867  -2.765
  184   2HB   PHE  25          1HB       PHE  25  -4.881  -2.417  -2.832
  185    HD1  PHE  25           1HD      PHE  25  -6.622  -0.974  -3.773
  186    HD2  PHE  25           2HD      PHE  25  -2.522   0.162  -3.830
  187    HE1  PHE  25           1HE      PHE  25  -7.126   0.737  -5.470
  188    HE2  PHE  25           2HE      PHE  25  -3.015   1.866  -5.532
  189    HZ   PHE  25           HZ       PHE  25  -5.312   2.147  -6.362
  190    H    ILE  26           H        ILE  26  -5.674  -2.048   0.695
  191    HA   ILE  26           HA       ILE  26  -3.323  -3.442   1.691
  192    HB   ILE  26           HB       ILE  26  -4.563  -1.927   3.228
  193   1HG1  ILE  26          2HG1      ILE  26  -3.202  -4.106   3.749
  194   2HG1  ILE  26          1HG1      ILE  26  -3.986  -3.196   5.032
  195   1HG2  ILE  26          1HG2      ILE  26  -6.844  -2.490   2.424
  196   2HG2  ILE  26          2HG2      ILE  26  -6.709  -4.029   3.276
  197   3HG2  ILE  26          3HG2      ILE  26  -6.658  -2.514   4.178
  198   1HD1  ILE  26          1HD1      ILE  26  -4.931  -5.748   3.752
  199   2HD1  ILE  26          2HD1      ILE  26  -4.380  -5.510   5.412
  200   3HD1  ILE  26          3HD1      ILE  26  -5.900  -4.794   4.875
  201    H    ASP  27           H        ASP  27  -3.060  -5.406   1.089
  202    HA   ASP  27           HA       ASP  27  -5.211  -7.013   0.038
  203   1HB   ASP  27          2HB       ASP  27  -3.413  -7.688  -1.140
  204   2HB   ASP  27          1HB       ASP  27  -2.287  -7.091   0.070
  205    H    HIS  28           H        HIS  28  -6.500  -8.201   1.254
  206    HA   HIS  28           HA       HIS  28  -5.827  -8.575   4.063
  207   1HB   HIS  28          2HB       HIS  28  -8.365  -8.851   2.466
  208   2HB   HIS  28          1HB       HIS  28  -8.247  -9.454   4.114
  209    HD1  HIS  28           1HD      HIS  28  -7.305  -7.420   5.853
  210    HD2  HIS  28           2HD      HIS  28  -9.351  -6.352   2.389
  211    HE1  HIS  28           1HE      HIS  28  -8.179  -5.100   6.265
  212    HE2  HIS  28           2HE      HIS  28  -9.537  -4.526   4.221
  213    H    ASN  29           H        ASN  29  -5.051 -10.280   1.452
  214    HA   ASN  29           HA       ASN  29  -5.883 -12.886   2.445
  215   1HB   ASN  29          2HB       ASN  29  -4.363 -12.201  -0.069
  216   2HB   ASN  29          1HB       ASN  29  -5.064 -13.755   0.341
  217   1HD2  ASN  29          1HD2      ASN  29  -5.447 -11.522  -1.742
  218   2HD2  ASN  29          2HD2      ASN  29  -7.174 -11.401  -1.863
  219    H    THR  30           H        THR  30  -2.903 -11.238   1.395
  220    HA   THR  30           HA       THR  30  -1.391 -13.132   3.077
  221    HB   THR  30           HB       THR  30   0.546 -12.705   1.633
  222    HG1  THR  30           1HG      THR  30  -1.017 -10.652   0.745
  223   1HG2  THR  30          1HG2      THR  30  -2.015 -13.590   0.331
  224   2HG2  THR  30          2HG2      THR  30  -0.696 -14.582   0.960
  225   3HG2  THR  30          3HG2      THR  30  -0.474 -13.653  -0.524
  226    H    LYS  31           H        LYS  31  -2.597 -10.168   3.204
  227    HA   LYS  31           HA       LYS  31  -2.317  -8.405   4.579
  228   1HB   LYS  31          2HB       LYS  31  -0.108 -10.049   5.820
  229   2HB   LYS  31          1HB       LYS  31  -0.848  -8.620   6.527
  230   1HG   LYS  31          2HG       LYS  31  -2.333 -11.154   5.875
  231   2HG   LYS  31          1HG       LYS  31  -1.667 -10.767   7.462
  232   1HD   LYS  31          2HD       LYS  31  -3.142  -8.517   6.723
  233   2HD   LYS  31          1HD       LYS  31  -4.131  -9.894   6.231
  234   1HE   LYS  31          2HE       LYS  31  -2.890  -9.677   8.963
  235   2HE   LYS  31          1HE       LYS  31  -4.481  -9.018   8.587
  236   1HZ   LYS  31          1HZ       LYS  31  -3.614 -11.840   8.622
  237   2HZ   LYS  31          2HZ       LYS  31  -4.983 -11.367   7.739
  238   3HZ   LYS  31          3HZ       LYS  31  -4.927 -11.120   9.417
  239    H    THR  32           H        THR  32  -1.560  -7.399   2.513
  240    HA   THR  32           HA       THR  32   1.117  -6.264   3.004
  241    HB   THR  32           HB       THR  32   0.253  -6.102   0.219
  242    HG1  THR  32           1HG      THR  32  -0.442  -8.313   0.998
  243   1HG2  THR  32          1HG2      THR  32   2.775  -7.131   1.522
  244   2HG2  THR  32          2HG2      THR  32   2.482  -5.464   1.027
  245   3HG2  THR  32          3HG2      THR  32   2.573  -6.740  -0.187
  246    H    THR  33           H        THR  33   1.327  -4.050   2.677
  247    HA   THR  33           HA       THR  33  -1.165  -2.580   2.088
  248    HB   THR  33           HB       THR  33   0.459  -0.995   3.794
  249    HG1  THR  33           1HG      THR  33  -0.201  -3.325   5.214
  250   1HG2  THR  33          1HG2      THR  33  -1.958  -0.834   3.632
  251   2HG2  THR  33          2HG2      THR  33  -1.489  -1.162   5.300
  252   3HG2  THR  33          3HG2      THR  33  -2.134  -2.460   4.294
  253    H    THR  34           H        THR  34  -0.787  -1.700   0.123
  254    HA   THR  34           HA       THR  34   1.792  -0.332  -0.282
  255    HB   THR  34           HB       THR  34   1.777  -2.345  -1.632
  256    HG1  THR  34           1HG      THR  34   2.502  -0.223  -2.557
  257   1HG2  THR  34          1HG2      THR  34  -0.525  -2.872  -1.852
  258   2HG2  THR  34          2HG2      THR  34   0.071  -2.563  -3.483
  259   3HG2  THR  34          3HG2      THR  34  -0.875  -1.335  -2.641
  260    H    TRP  35           H        TRP  35   1.741   1.645  -1.409
  261    HA   TRP  35           HA       TRP  35  -0.851   2.984  -1.451
  262   1HB   TRP  35          2HB       TRP  35   1.844   4.104  -2.207
  263   2HB   TRP  35          1HB       TRP  35   0.382   5.002  -1.851
  264    HD1  TRP  35           HD       TRP  35   3.347   3.372  -0.244
  265    HE1  TRP  35           1HE      TRP  35   3.403   3.992   2.241
  266    HE3  TRP  35           3HE      TRP  35  -1.269   5.475   0.134
  267    HZ2  TRP  35           2HZ      TRP  35   1.674   5.227   4.139
  268    HZ3  TRP  35           3HZ      TRP  35  -2.005   6.349   2.296
  269    HH2  TRP  35           HH       TRP  35  -0.570   6.236   4.251
  270    H    GLU  36           H        GLU  36   1.047   1.203  -3.451
  271    HA   GLU  36           HA       GLU  36   0.375   2.723  -5.865
  272   1HB   GLU  36          2HB       GLU  36   2.478   0.606  -5.850
  273   2HB   GLU  36          1HB       GLU  36   2.412   2.112  -6.757
  274   1HG   GLU  36          2HG       GLU  36   3.942   2.849  -5.301
  275   2HG   GLU  36          1HG       GLU  36   2.596   3.015  -4.172
  276    H    ASP  37           H        ASP  37  -1.115   1.901  -7.113
  277    HA   ASP  37           HA       ASP  37  -2.617  -0.336  -6.621
  278   1HB   ASP  37          2HB       ASP  37  -3.302   1.502  -8.078
  279   2HB   ASP  37          1HB       ASP  37  -2.126   1.024  -9.280
  280    HA   PRO  38           HA       PRO  38   0.301  -3.559  -7.416
  281   1HB   PRO  38          2HB       PRO  38  -1.463  -5.633  -7.135
  282   2HB   PRO  38          1HB       PRO  38  -0.720  -4.772  -5.782
  283   1HG   PRO  38          2HG       PRO  38  -3.434  -4.408  -6.995
  284   2HG   PRO  38          1HG       PRO  38  -2.964  -4.430  -5.285
  285   1HD   PRO  38          2HD       PRO  38  -3.435  -2.133  -6.588
  286   2HD   PRO  38          1HD       PRO  38  -2.175  -2.257  -5.340
  287    H    ARG  39           H        ARG  39  -2.464  -2.887  -9.370
  288    HA   ARG  39           HA       ARG  39  -1.884  -5.013 -11.251
  289   1HB   ARG  39          2HB       ARG  39  -3.767  -2.685 -11.597
  290   2HB   ARG  39          1HB       ARG  39  -3.751  -4.182 -12.516
  291   1HG   ARG  39          2HG       ARG  39  -4.672  -5.409 -10.791
  292   2HG   ARG  39          1HG       ARG  39  -4.153  -4.254  -9.563
  293   1HD   ARG  39          2HD       ARG  39  -6.475  -4.113 -11.436
  294   2HD   ARG  39          1HD       ARG  39  -6.425  -3.841  -9.695
  295    HE   ARG  39           HE       ARG  39  -5.310  -1.711 -10.164
  296   1HH1  ARG  39          2HH1      ARG  39  -7.062  -3.266 -12.784
  297   2HH1  ARG  39          1HH1      ARG  39  -7.217  -1.801 -13.703
  298   1HH2  ARG  39          2HH2      ARG  39  -5.534   0.194 -11.366
  299   2HH2  ARG  39          1HH2      ARG  39  -6.343   0.164 -12.913
  300    H    LEU  40           H        LEU  40  -0.376  -2.222 -10.554
  301    HA   LEU  40           HA       LEU  40   0.373  -1.678 -13.341
  302   1HB   LEU  40          2HB       LEU  40   1.322  -0.151 -10.926
  303   2HB   LEU  40          1HB       LEU  40   1.322   0.367 -12.600
  304    HG   LEU  40           HG       LEU  40  -1.200  -0.084 -11.005
  305   1HD1  LEU  40          1HD1      LEU  40  -0.494   1.720  -9.857
  306   2HD1  LEU  40          2HD1      LEU  40   0.651   2.209 -11.109
  307   3HD1  LEU  40          3HD1      LEU  40  -1.065   2.581 -11.286
  308   1HD2  LEU  40          1HD2      LEU  40  -2.264   0.287 -12.912
  309   2HD2  LEU  40          2HD2      LEU  40  -1.393   1.804 -13.140
  310   3HD2  LEU  40          3HD2      LEU  40  -0.713   0.295 -13.752
  311    H    LYS  41           H        LYS  41   1.391  -3.330 -10.561
  312    HA   LYS  41           HA       LYS  41   4.183  -3.355 -11.483
  313   1HB   LYS  41          2HB       LYS  41   4.164  -4.498  -8.944
  314   2HB   LYS  41          1HB       LYS  41   4.703  -2.881  -9.364
  315   1HG   LYS  41          2HG       LYS  41   2.675  -1.907  -8.707
  316   2HG   LYS  41          1HG       LYS  41   1.835  -3.460  -8.705
  317   1HD   LYS  41          2HD       LYS  41   2.300  -3.697  -6.546
  318   2HD   LYS  41          1HD       LYS  41   4.025  -3.677  -6.925
  319   1HE   LYS  41          2HE       LYS  41   3.125  -1.009  -7.046
  320   2HE   LYS  41          1HE       LYS  41   2.447  -1.709  -5.576
  321   1HZ   LYS  41          1HZ       LYS  41   5.312  -1.562  -6.347
  322   2HZ   LYS  41          2HZ       LYS  41   4.743  -2.489  -5.045
  323   3HZ   LYS  41          3HZ       LYS  41   4.552  -0.803  -5.030
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -14.058  -8.963 -19.204
    2   2H    GLY   1          2H        GLY   1 -14.748 -10.461 -18.810
    3   3H    GLY   1          3H        GLY   1 -13.198 -10.068 -18.244
    4   1HA   GLY   1          2HA       GLY   1 -14.096  -9.302 -16.393
    5   2HA   GLY   1          1HA       GLY   1 -14.816  -8.024 -17.362
    6    H    SER   2           H        SER   2 -15.604 -10.043 -15.053
    7    HA   SER   2           HA       SER   2 -18.284 -10.598 -16.146
    8   1HB   SER   2          2HB       SER   2 -17.538 -12.238 -13.851
    9   2HB   SER   2          1HB       SER   2 -18.168 -12.733 -15.422
   10    HG   SER   2           HG       SER   2 -15.659 -12.892 -14.488
   11    HA   PRO   3           HA       PRO   3 -19.845  -8.204 -12.729
   12   1HB   PRO   3          2HB       PRO   3 -22.210  -9.907 -12.600
   13   2HB   PRO   3          1HB       PRO   3 -22.077  -8.231 -13.139
   14   1HG   PRO   3          2HG       PRO   3 -22.603 -10.278 -14.832
   15   2HG   PRO   3          1HG       PRO   3 -21.715  -8.824 -15.325
   16   1HD   PRO   3          2HD       PRO   3 -20.663 -11.537 -14.605
   17   2HD   PRO   3          1HD       PRO   3 -20.155 -10.440 -15.908
   18    H    GLY   4           H        GLY   4 -18.144  -9.216 -11.368
   19   1HA   GLY   4          1HA       GLY   4 -19.369 -10.572  -9.117
   20   2HA   GLY   4          2HA       GLY   4 -18.133 -11.498  -9.958
   21    H    ILE   5           H        ILE   5 -16.885 -11.482  -8.025
   22    HA   ILE   5           HA       ILE   5 -15.959  -8.921  -7.016
   23    HB   ILE   5           HB       ILE   5 -14.962 -11.632  -6.145
   24   1HG1  ILE   5          2HG1      ILE   5 -17.437 -11.580  -6.015
   25   2HG1  ILE   5          1HG1      ILE   5 -16.686 -11.657  -4.426
   26   1HG2  ILE   5          1HG2      ILE   5 -14.178  -9.073  -5.482
   27   2HG2  ILE   5          2HG2      ILE   5 -15.232  -9.543  -4.148
   28   3HG2  ILE   5          3HG2      ILE   5 -13.838 -10.541  -4.565
   29   1HD1  ILE   5          1HD1      ILE   5 -17.974  -9.953  -3.855
   30   2HD1  ILE   5          2HD1      ILE   5 -16.998  -8.945  -4.926
   31   3HD1  ILE   5          3HD1      ILE   5 -18.478  -9.693  -5.525
   32    H    GLN   6           H        GLN   6 -14.898  -8.218  -8.915
   33    HA   GLN   6           HA       GLN   6 -12.097  -8.922  -8.905
   34   1HB   GLN   6          2HB       GLN   6 -12.098  -9.112 -11.459
   35   2HB   GLN   6          1HB       GLN   6 -12.678 -10.505 -10.558
   36   1HG   GLN   6          2HG       GLN   6 -14.623 -10.435 -11.609
   37   2HG   GLN   6          1HG       GLN   6 -14.865  -8.751 -11.141
   38   1HE2  GLN   6          1HE2      GLN   6 -13.333  -7.234 -12.454
   39   2HE2  GLN   6          2HE2      GLN   6 -13.398  -7.477 -14.168
   40    H    SER   7           H        SER   7 -13.740  -6.699  -8.187
   41    HA   SER   7           HA       SER   7 -13.716  -4.711 -10.223
   42   1HB   SER   7          2HB       SER   7 -13.882  -3.724  -7.486
   43   2HB   SER   7          1HB       SER   7 -15.082  -3.652  -8.781
   44    HG   SER   7           HG       SER   7 -16.019  -4.989  -7.352
   45    H    PHE   8           H        PHE   8 -11.788  -4.127 -10.991
   46    HA   PHE   8           HA       PHE   8  -9.818  -3.030 -11.156
   47   1HB   PHE   8          2HB       PHE   8 -10.990  -1.601  -9.297
   48   2HB   PHE   8          1HB       PHE   8  -9.788  -2.344  -8.248
   49    HD1  PHE   8           1HD      PHE   8  -7.953  -1.034  -7.848
   50    HD2  PHE   8           2HD      PHE   8  -9.843  -0.814 -11.654
   51    HE1  PHE   8           1HE      PHE   8  -6.313   0.656  -8.558
   52    HE2  PHE   8           2HE      PHE   8  -8.203   0.875 -12.373
   53    HZ   PHE   8           HZ       PHE   8  -6.438   1.613 -10.825
   54    H    LEU   9           H        LEU   9  -9.795  -4.455  -7.884
   55    HA   LEU   9           HA       LEU   9  -7.226  -5.726  -8.581
   56   1HB   LEU   9          2HB       LEU   9  -8.020  -5.319  -5.742
   57   2HB   LEU   9          1HB       LEU   9  -6.426  -5.323  -6.467
   58    HG   LEU   9           HG       LEU   9  -7.745  -3.059  -7.509
   59   1HD1  LEU   9          1HD1      LEU   9  -8.285  -3.537  -4.605
   60   2HD1  LEU   9          2HD1      LEU   9  -8.099  -1.899  -5.238
   61   3HD1  LEU   9          3HD1      LEU   9  -9.378  -2.947  -5.857
   62   1HD2  LEU   9          1HD2      LEU   9  -5.764  -2.175  -7.011
   63   2HD2  LEU   9          2HD2      LEU   9  -5.949  -2.544  -5.295
   64   3HD2  LEU   9          3HD2      LEU   9  -5.318  -3.768  -6.398
   65    HA   PRO  10           HA       PRO  10  -8.903  -9.728  -7.638
   66   1HB   PRO  10          2HB       PRO  10  -6.699 -10.304  -5.768
   67   2HB   PRO  10          1HB       PRO  10  -7.112 -11.093  -7.293
   68   1HG   PRO  10          2HG       PRO  10  -4.952  -9.518  -7.068
   69   2HG   PRO  10          1HG       PRO  10  -5.913  -9.580  -8.557
   70   1HD   PRO  10          2HD       PRO  10  -5.920  -7.516  -6.384
   71   2HD   PRO  10          1HD       PRO  10  -5.991  -7.299  -8.145
   72    HA   PRO  11           HA       PRO  11 -11.351  -9.577  -3.970
   73   1HB   PRO  11          2HB       PRO  11 -11.308 -12.303  -3.341
   74   2HB   PRO  11          1HB       PRO  11 -12.461 -11.504  -4.414
   75   1HG   PRO  11          2HG       PRO  11  -9.991 -13.036  -5.083
   76   2HG   PRO  11          1HG       PRO  11 -11.544 -12.974  -5.941
   77   1HD   PRO  11          2HD       PRO  11  -9.408 -11.649  -6.854
   78   2HD   PRO  11          1HD       PRO  11 -11.036 -10.950  -6.966
   79    H    GLY  12           H        GLY  12 -10.516  -8.731  -2.186
   80   1HA   GLY  12          1HA       GLY  12  -9.695  -9.420   0.059
   81   2HA   GLY  12          2HA       GLY  12  -8.392 -10.239  -0.792
   82    H    TRP  13           H        TRP  13  -8.537  -7.788  -2.699
   83    HA   TRP  13           HA       TRP  13  -6.642  -6.189  -1.188
   84   1HB   TRP  13          2HB       TRP  13  -7.470  -6.330  -4.066
   85   2HB   TRP  13          1HB       TRP  13  -6.613  -4.910  -3.468
   86    HD1  TRP  13           HD       TRP  13  -6.107  -8.615  -4.224
   87    HE1  TRP  13           1HE      TRP  13  -3.590  -9.130  -4.173
   88    HE3  TRP  13           3HE      TRP  13  -4.397  -4.149  -2.427
   89    HZ2  TRP  13           2HZ      TRP  13  -1.196  -7.823  -3.448
   90    HZ3  TRP  13           3HZ      TRP  13  -1.981  -3.861  -2.077
   91    HH2  TRP  13           HH       TRP  13  -0.409  -5.665  -2.582
   92    H    GLU  14           H        GLU  14  -7.755  -5.036   0.283
   93    HA   GLU  14           HA       GLU  14 -10.214  -3.685  -0.450
   94   1HB   GLU  14          2HB       GLU  14  -9.451  -4.884   1.821
   95   2HB   GLU  14          1HB       GLU  14  -8.926  -3.248   2.188
   96   1HG   GLU  14          2HG       GLU  14 -11.124  -2.402   1.989
   97   2HG   GLU  14          1HG       GLU  14 -11.713  -3.911   1.286
   98    H    MET  15           H        MET  15  -9.951  -1.882  -1.600
   99    HA   MET  15           HA       MET  15  -7.714  -0.125  -1.175
  100   1HB   MET  15          2HB       MET  15  -8.621   1.208  -2.969
  101   2HB   MET  15          1HB       MET  15  -8.690  -0.486  -3.427
  102   1HG   MET  15          2HG       MET  15 -11.091   0.732  -2.180
  103   2HG   MET  15          1HG       MET  15 -10.698   1.162  -3.843
  104   1HE   MET  15          1HE       MET  15 -13.511  -1.895  -3.078
  105   2HE   MET  15          2HE       MET  15 -12.924  -0.689  -1.936
  106   3HE   MET  15          3HE       MET  15 -13.517  -0.187  -3.521
  107    H    ARG  16           H        ARG  16  -7.600   1.397   0.288
  108    HA   ARG  16           HA       ARG  16 -10.064   2.795   1.083
  109   1HB   ARG  16          2HB       ARG  16  -8.036   1.453   2.800
  110   2HB   ARG  16          1HB       ARG  16  -8.623   3.018   3.347
  111   1HG   ARG  16          2HG       ARG  16 -10.536   2.138   4.057
  112   2HG   ARG  16          1HG       ARG  16 -10.808   1.319   2.518
  113   1HD   ARG  16          2HD       ARG  16 -10.688  -0.379   4.160
  114   2HD   ARG  16          1HD       ARG  16  -9.150  -0.421   3.297
  115    HE   ARG  16           HE       ARG  16  -8.780   1.255   5.471
  116   1HH1  ARG  16          2HH1      ARG  16  -9.647  -2.122   4.979
  117   2HH1  ARG  16          1HH1      ARG  16  -8.877  -2.650   6.440
  118   1HH2  ARG  16          2HH2      ARG  16  -7.781   0.543   7.394
  119   2HH2  ARG  16          1HH2      ARG  16  -7.799  -1.149   7.807
  120    H    ILE  17           H        ILE  17  -9.882   4.986   1.122
  121    HA   ILE  17           HA       ILE  17  -7.401   6.046   0.026
  122    HB   ILE  17           HB       ILE  17  -9.670   7.864   0.594
  123   1HG1  ILE  17          2HG1      ILE  17 -10.722   5.750  -0.277
  124   2HG1  ILE  17          1HG1      ILE  17 -10.986   7.169  -1.284
  125   1HG2  ILE  17          1HG2      ILE  17  -7.768   8.815  -0.440
  126   2HG2  ILE  17          2HG2      ILE  17  -7.677   7.518  -1.631
  127   3HG2  ILE  17          3HG2      ILE  17  -9.001   8.684  -1.693
  128   1HD1  ILE  17          1HD1      ILE  17 -10.524   5.355  -2.722
  129   2HD1  ILE  17          2HD1      ILE  17  -9.089   6.381  -2.717
  130   3HD1  ILE  17          3HD1      ILE  17  -9.107   4.881  -1.786
  131    H    ALA  18           H        ALA  18  -5.893   6.628   1.397
  132    HA   ALA  18           HA       ALA  18  -6.482   7.397   4.109
  133   1HB   ALA  18          1HB       ALA  18  -4.484   6.300   4.096
  134   2HB   ALA  18          2HB       ALA  18  -4.038   6.897   2.497
  135   3HB   ALA  18          3HB       ALA  18  -3.884   7.946   3.904
  136    HA   PRO  19           HA       PRO  19  -6.789  11.788   3.602
  137   1HB   PRO  19          2HB       PRO  19  -5.093  12.095   6.001
  138   2HB   PRO  19          1HB       PRO  19  -6.756  12.619   5.727
  139   1HG   PRO  19          2HG       PRO  19  -6.195  10.561   7.340
  140   2HG   PRO  19          1HG       PRO  19  -7.640  10.563   6.312
  141   1HD   PRO  19          2HD       PRO  19  -5.030   9.147   5.914
  142   2HD   PRO  19          1HD       PRO  19  -6.682   8.567   5.616
  143    H    ASN  20           H        ASN  20  -3.901  10.138   3.378
  144    HA   ASN  20           HA       ASN  20  -2.102  12.340   3.038
  145   1HB   ASN  20          2HB       ASN  20  -1.955   9.414   2.289
  146   2HB   ASN  20          1HB       ASN  20  -0.668  10.551   1.907
  147   1HD2  ASN  20          1HD2      ASN  20   0.784   9.394   3.200
  148   2HD2  ASN  20          2HD2      ASN  20   0.716   9.480   4.928
  149    H    GLY  21           H        GLY  21  -4.426  10.685   1.110
  150   1HA   GLY  21          1HA       GLY  21  -5.316  11.885  -0.806
  151   2HA   GLY  21          2HA       GLY  21  -3.668  12.380  -1.180
  152    H    ARG  22           H        ARG  22  -3.370   9.347  -0.138
  153    HA   ARG  22           HA       ARG  22  -3.460   8.304  -2.877
  154   1HB   ARG  22          2HB       ARG  22  -1.901   6.564  -1.343
  155   2HB   ARG  22          1HB       ARG  22  -1.350   7.685  -2.573
  156   1HG   ARG  22          2HG       ARG  22  -1.562   9.259  -0.312
  157   2HG   ARG  22          1HG       ARG  22  -0.959   7.718   0.294
  158   1HD   ARG  22          2HD       ARG  22   1.063   8.387  -0.358
  159   2HD   ARG  22          1HD       ARG  22   0.508   8.122  -2.011
  160    HE   ARG  22           HE       ARG  22   0.621  10.703  -0.607
  161   1HH1  ARG  22          2HH1      ARG  22   0.118   8.878  -3.570
  162   2HH1  ARG  22          1HH1      ARG  22   0.295  10.269  -4.598
  163   1HH2  ARG  22          2HH2      ARG  22   0.840  12.514  -1.946
  164   2HH2  ARG  22          1HH2      ARG  22   0.722  12.338  -3.673
  165    HA   PRO  23           HA       PRO  23  -6.452   5.268  -1.374
  166   1HB   PRO  23          2HB       PRO  23  -5.907   4.215  -4.084
  167   2HB   PRO  23          1HB       PRO  23  -7.449   4.588  -3.309
  168   1HG   PRO  23          2HG       PRO  23  -6.454   6.145  -5.253
  169   2HG   PRO  23          1HG       PRO  23  -7.345   6.828  -3.880
  170   1HD   PRO  23          2HD       PRO  23  -4.396   6.762  -4.379
  171   2HD   PRO  23          1HD       PRO  23  -5.399   8.051  -3.677
  172    H    PHE  24           H        PHE  24  -5.537   3.813  -0.074
  173    HA   PHE  24           HA       PHE  24  -3.192   2.380  -1.095
  174   1HB   PHE  24          2HB       PHE  24  -2.343   2.135   1.071
  175   2HB   PHE  24          1HB       PHE  24  -2.963   3.775   1.043
  176    HD1  PHE  24           1HD      PHE  24  -3.526   0.366   2.352
  177    HD2  PHE  24           2HD      PHE  24  -4.739   4.451   2.459
  178    HE1  PHE  24           1HE      PHE  24  -4.796  -0.069   4.404
  179    HE2  PHE  24           2HE      PHE  24  -6.022   4.014   4.507
  180    HZ   PHE  24           HZ       PHE  24  -6.056   1.754   5.485
  181    H    PHE  25           H        PHE  25  -3.162   0.246  -1.195
  182    HA   PHE  25           HA       PHE  25  -5.766  -1.041  -0.815
  183   1HB   PHE  25          2HB       PHE  25  -3.503  -2.043  -2.540
  184   2HB   PHE  25          1HB       PHE  25  -5.198  -2.525  -2.589
  185    HD1  PHE  25           1HD      PHE  25  -2.726  -0.169  -3.758
  186    HD2  PHE  25           2HD      PHE  25  -6.896  -0.931  -3.441
  187    HE1  PHE  25           1HE      PHE  25  -3.165   1.541  -5.470
  188    HE2  PHE  25           2HE      PHE  25  -7.344   0.777  -5.153
  189    HZ   PHE  25           HZ       PHE  25  -5.477   2.013  -6.171
  190    H    ILE  26           H        ILE  26  -5.954  -2.205   0.867
  191    HA   ILE  26           HA       ILE  26  -3.564  -3.431   1.985
  192    HB   ILE  26           HB       ILE  26  -4.944  -1.948   3.432
  193   1HG1  ILE  26          2HG1      ILE  26  -3.488  -4.077   4.038
  194   2HG1  ILE  26          1HG1      ILE  26  -4.284  -3.101   5.264
  195   1HG2  ILE  26          1HG2      ILE  26  -7.166  -2.393   2.814
  196   2HG2  ILE  26          2HG2      ILE  26  -6.996  -4.119   3.133
  197   3HG2  ILE  26          3HG2      ILE  26  -6.988  -2.970   4.470
  198   1HD1  ILE  26          1HD1      ILE  26  -4.577  -5.469   5.703
  199   2HD1  ILE  26          2HD1      ILE  26  -6.126  -4.713   5.327
  200   3HD1  ILE  26          3HD1      ILE  26  -5.305  -5.686   4.110
  201    H    ASP  27           H        ASP  27  -3.158  -5.359   1.399
  202    HA   ASP  27           HA       ASP  27  -5.170  -7.091   0.263
  203   1HB   ASP  27          2HB       ASP  27  -3.258  -7.435  -0.925
  204   2HB   ASP  27          1HB       ASP  27  -2.217  -7.017   0.429
  205    H    HIS  28           H        HIS  28  -6.338  -8.466   1.417
  206    HA   HIS  28           HA       HIS  28  -5.618  -8.923   4.206
  207   1HB   HIS  28          2HB       HIS  28  -8.132  -9.413   2.618
  208   2HB   HIS  28          1HB       HIS  28  -7.933 -10.002   4.263
  209    HD1  HIS  28           1HD      HIS  28  -7.455  -8.032   6.099
  210    HD2  HIS  28           2HD      HIS  28  -9.058  -6.866   2.437
  211    HE1  HIS  28           1HE      HIS  28  -8.441  -5.753   6.480
  212    HE2  HIS  28           2HE      HIS  28  -9.570  -5.152   4.311
  213    H    ASN  29           H        ASN  29  -4.989 -10.438   1.339
  214    HA   ASN  29           HA       ASN  29  -5.483 -13.147   2.208
  215   1HB   ASN  29          2HB       ASN  29  -3.918 -12.285  -0.220
  216   2HB   ASN  29          1HB       ASN  29  -4.734 -13.815   0.057
  217   1HD2  ASN  29          1HD2      ASN  29  -5.010 -10.613  -1.066
  218   2HD2  ASN  29          2HD2      ASN  29  -6.680 -10.680  -1.530
  219    H    THR  30           H        THR  30  -2.586 -11.250   1.289
  220    HA   THR  30           HA       THR  30  -1.016 -13.157   2.892
  221    HB   THR  30           HB       THR  30   0.930 -12.573   1.588
  222    HG1  THR  30           1HG      THR  30  -0.646 -10.424   0.823
  223   1HG2  THR  30          1HG2      THR  30   0.065 -13.167  -0.731
  224   2HG2  THR  30          2HG2      THR  30  -1.546 -13.163  -0.008
  225   3HG2  THR  30          3HG2      THR  30  -0.320 -14.293   0.572
  226    H    LYS  31           H        LYS  31  -2.387 -10.219   3.121
  227    HA   LYS  31           HA       LYS  31  -2.355  -8.668   4.765
  228   1HB   LYS  31          2HB       LYS  31  -0.418 -10.650   5.862
  229   2HB   LYS  31          1HB       LYS  31  -0.483  -9.056   6.602
  230   1HG   LYS  31          2HG       LYS  31  -2.012 -10.125   7.894
  231   2HG   LYS  31          1HG       LYS  31  -3.080  -9.564   6.604
  232   1HD   LYS  31          2HD       LYS  31  -3.065 -11.700   5.552
  233   2HD   LYS  31          1HD       LYS  31  -1.760 -12.273   6.593
  234   1HE   LYS  31          2HE       LYS  31  -3.176 -12.852   8.214
  235   2HE   LYS  31          1HE       LYS  31  -4.066 -11.334   8.094
  236   1HZ   LYS  31          1HZ       LYS  31  -5.170 -13.622   7.483
  237   2HZ   LYS  31          2HZ       LYS  31  -4.447 -13.329   5.983
  238   3HZ   LYS  31          3HZ       LYS  31  -5.547 -12.207   6.626
  239    H    THR  32           H        THR  32  -1.572  -7.455   2.815
  240    HA   THR  32           HA       THR  32   0.956  -6.131   3.545
  241    HB   THR  32           HB       THR  32   0.266  -6.009   0.694
  242    HG1  THR  32           1HG      THR  32  -0.166  -8.284   1.414
  243   1HG2  THR  32          1HG2      THR  32   2.653  -6.257   0.423
  244   2HG2  THR  32          2HG2      THR  32   2.830  -6.718   2.117
  245   3HG2  THR  32          3HG2      THR  32   2.330  -5.078   1.696
  246    H    THR  33           H        THR  33   1.027  -3.887   3.207
  247    HA   THR  33           HA       THR  33  -1.488  -2.618   2.339
  248    HB   THR  33           HB       THR  33  -0.055  -0.851   4.076
  249    HG1  THR  33           1HG      THR  33   0.804  -2.725   5.070
  250   1HG2  THR  33          1HG2      THR  33  -2.621  -1.319   3.451
  251   2HG2  THR  33          2HG2      THR  33  -2.121  -0.431   4.891
  252   3HG2  THR  33          3HG2      THR  33  -2.544  -2.141   5.011
  253    H    THR  34           H        THR  34  -1.011  -1.780   0.369
  254    HA   THR  34           HA       THR  34   1.547  -0.348   0.113
  255    HB   THR  34           HB       THR  34   1.363  -2.583  -1.132
  256    HG1  THR  34           1HG      THR  34   2.919  -1.725  -2.258
  257   1HG2  THR  34          1HG2      THR  34  -0.247  -0.932  -3.080
  258   2HG2  THR  34          2HG2      THR  34  -0.952  -2.129  -1.993
  259   3HG2  THR  34          3HG2      THR  34   0.211  -2.631  -3.221
  260    H    TRP  35           H        TRP  35   1.571   1.537  -1.089
  261    HA   TRP  35           HA       TRP  35  -1.021   2.832  -1.419
  262   1HB   TRP  35          2HB       TRP  35   1.700   4.061  -1.826
  263   2HB   TRP  35          1HB       TRP  35   0.178   4.881  -1.527
  264    HD1  TRP  35           HD       TRP  35   2.954   2.984   0.264
  265    HE1  TRP  35           1HE      TRP  35   2.769   3.437   2.788
  266    HE3  TRP  35           3HE      TRP  35  -1.506   5.463   0.298
  267    HZ2  TRP  35           2HZ      TRP  35   0.947   4.703   4.566
  268    HZ3  TRP  35           3HZ      TRP  35  -2.399   6.259   2.428
  269    HH2  TRP  35           HH       TRP  35  -1.204   5.899   4.513
  270    H    GLU  36           H        GLU  36   1.315   1.246  -3.234
  271    HA   GLU  36           HA       GLU  36   0.627   2.672  -5.696
  272   1HB   GLU  36          2HB       GLU  36   2.632   0.604  -6.002
  273   2HB   GLU  36          1HB       GLU  36   2.729   2.317  -6.375
  274   1HG   GLU  36          2HG       GLU  36   3.921   2.755  -4.552
  275   2HG   GLU  36          1HG       GLU  36   2.857   1.803  -3.516
  276    H    ASP  37           H        ASP  37  -0.903   1.841  -6.894
  277    HA   ASP  37           HA       ASP  37  -2.284  -0.488  -6.361
  278   1HB   ASP  37          2HB       ASP  37  -3.419   1.110  -7.629
  279   2HB   ASP  37          1HB       ASP  37  -2.106   1.260  -8.791
  280    HA   PRO  38           HA       PRO  38   0.406  -3.719  -7.714
  281   1HB   PRO  38          2HB       PRO  38  -1.620  -5.605  -8.003
  282   2HB   PRO  38          1HB       PRO  38  -0.718  -5.271  -6.525
  283   1HG   PRO  38          2HG       PRO  38  -3.418  -4.330  -7.350
  284   2HG   PRO  38          1HG       PRO  38  -2.814  -4.753  -5.739
  285   1HD   PRO  38          2HD       PRO  38  -3.153  -2.199  -6.518
  286   2HD   PRO  38          1HD       PRO  38  -1.842  -2.683  -5.424
  287    H    ARG  39           H        ARG  39  -2.544  -2.905  -9.579
  288    HA   ARG  39           HA       ARG  39  -1.671  -4.563 -11.776
  289   1HB   ARG  39          2HB       ARG  39  -3.640  -2.858 -12.786
  290   2HB   ARG  39          1HB       ARG  39  -3.840  -4.516 -12.257
  291   1HG   ARG  39          2HG       ARG  39  -4.097  -2.164 -10.413
  292   2HG   ARG  39          1HG       ARG  39  -5.450  -2.852 -11.307
  293   1HD   ARG  39          2HD       ARG  39  -3.699  -4.415  -9.418
  294   2HD   ARG  39          1HD       ARG  39  -5.230  -3.671  -8.957
  295    HE   ARG  39           HE       ARG  39  -6.337  -5.155 -10.472
  296   1HH1  ARG  39          2HH1      ARG  39  -2.984  -5.895  -9.842
  297   2HH1  ARG  39          1HH1      ARG  39  -3.122  -7.569 -10.288
  298   1HH2  ARG  39          2HH2      ARG  39  -6.557  -7.361 -11.032
  299   2HH2  ARG  39          1HH2      ARG  39  -5.157  -8.401 -10.978
  300    H    LEU  40           H        LEU  40  -1.073  -1.363 -10.762
  301    HA   LEU  40           HA       LEU  40  -0.379  -0.261 -13.288
  302   1HB   LEU  40          2HB       LEU  40   0.408   0.443 -10.467
  303   2HB   LEU  40          1HB       LEU  40   1.003   1.332 -11.857
  304    HG   LEU  40           HG       LEU  40  -1.917   1.030 -11.154
  305   1HD1  LEU  40          1HD1      LEU  40  -0.765   2.314  -9.456
  306   2HD1  LEU  40          2HD1      LEU  40  -0.034   3.335 -10.696
  307   3HD1  LEU  40          3HD1      LEU  40  -1.780   3.368 -10.442
  308   1HD2  LEU  40          1HD2      LEU  40  -0.676   1.752 -13.552
  309   2HD2  LEU  40          2HD2      LEU  40  -2.370   1.971 -13.112
  310   3HD2  LEU  40          3HD2      LEU  40  -1.209   3.267 -12.820
  311    H    LYS  41           H        LYS  41   1.264  -2.274 -10.979
  312    HA   LYS  41           HA       LYS  41   3.597  -2.368 -12.756
  313   1HB   LYS  41          2HB       LYS  41   4.675  -2.951 -10.296
  314   2HB   LYS  41          1HB       LYS  41   4.811  -1.407 -11.122
  315   1HG   LYS  41          2HG       LYS  41   3.549  -0.364  -9.610
  316   2HG   LYS  41          1HG       LYS  41   2.358  -1.666  -9.569
  317   1HD   LYS  41          2HD       LYS  41   4.749  -2.617  -8.369
  318   2HD   LYS  41          1HD       LYS  41   4.370  -1.044  -7.663
  319   1HE   LYS  41          2HE       LYS  41   1.933  -2.400  -7.828
  320   2HE   LYS  41          1HE       LYS  41   3.099  -3.594  -7.255
  321   1HZ   LYS  41          1HZ       LYS  41   2.946  -2.688  -5.255
  322   2HZ   LYS  41          2HZ       LYS  41   1.904  -1.481  -5.829
  323   3HZ   LYS  41          3HZ       LYS  41   3.583  -1.234  -5.859
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1 -16.865   2.242 -15.880
    2   2H    GLY   1          2H        GLY   1 -18.278   3.110 -16.226
    3   3H    GLY   1          3H        GLY   1 -16.770   3.723 -16.701
    4   1HA   GLY   1          2HA       GLY   1 -18.284   1.454 -17.831
    5   2HA   GLY   1          1HA       GLY   1 -17.631   2.860 -18.662
    6    H    SER   2           H        SER   2 -17.252  -0.325 -18.434
    7    HA   SER   2           HA       SER   2 -14.409  -0.172 -19.118
    8   1HB   SER   2          2HB       SER   2 -14.558  -2.547 -17.711
    9   2HB   SER   2          1HB       SER   2 -13.861  -1.044 -17.110
   10    HG   SER   2           HG       SER   2 -16.637  -1.460 -16.896
   11    HA   PRO   3           HA       PRO   3 -16.148  -2.809 -22.319
   12   1HB   PRO   3          2HB       PRO   3 -13.831  -3.010 -23.759
   13   2HB   PRO   3          1HB       PRO   3 -14.949  -1.649 -23.885
   14   1HG   PRO   3          2HG       PRO   3 -12.371  -1.855 -22.404
   15   2HG   PRO   3          1HG       PRO   3 -13.058  -0.477 -23.282
   16   1HD   PRO   3          2HD       PRO   3 -13.108  -0.715 -20.565
   17   2HD   PRO   3          1HD       PRO   3 -14.318   0.191 -21.492
   18    H    GLY   4           H        GLY   4 -12.712  -3.575 -21.857
   19   1HA   GLY   4          1HA       GLY   4 -13.392  -6.089 -20.548
   20   2HA   GLY   4          2HA       GLY   4 -12.594  -6.203 -22.112
   21    H    ILE   5           H        ILE   5 -12.254  -4.602 -18.962
   22    HA   ILE   5           HA       ILE   5  -9.385  -5.143 -19.040
   23    HB   ILE   5           HB       ILE   5  -9.048  -2.840 -17.981
   24   1HG1  ILE   5          2HG1      ILE   5 -11.194  -1.590 -19.436
   25   2HG1  ILE   5          1HG1      ILE   5 -11.853  -2.751 -18.288
   26   1HG2  ILE   5          1HG2      ILE   5  -9.715  -2.007 -20.614
   27   2HG2  ILE   5          2HG2      ILE   5  -8.133  -2.407 -19.946
   28   3HG2  ILE   5          3HG2      ILE   5  -9.122  -3.667 -20.685
   29   1HD1  ILE   5          1HD1      ILE   5  -9.897  -1.362 -16.876
   30   2HD1  ILE   5          2HD1      ILE   5 -10.748  -0.143 -17.827
   31   3HD1  ILE   5          3HD1      ILE   5 -11.647  -1.194 -16.733
   32    H    GLN   6           H        GLN   6  -8.477  -4.464 -16.795
   33    HA   GLN   6           HA       GLN   6 -10.005  -5.900 -14.813
   34   1HB   GLN   6          2HB       GLN   6  -7.263  -4.686 -14.908
   35   2HB   GLN   6          1HB       GLN   6  -7.958  -5.155 -13.363
   36   1HG   GLN   6          2HG       GLN   6  -7.778  -7.367 -13.793
   37   2HG   GLN   6          1HG       GLN   6  -8.054  -7.166 -15.523
   38   1HE2  GLN   6          1HE2      GLN   6  -5.686  -6.952 -12.956
   39   2HE2  GLN   6          2HE2      GLN   6  -4.290  -7.051 -13.980
   40    H    SER   7           H        SER   7 -11.750  -4.754 -14.130
   41    HA   SER   7           HA       SER   7 -11.564  -1.933 -13.579
   42   1HB   SER   7          2HB       SER   7 -13.956  -3.337 -12.631
   43   2HB   SER   7          1HB       SER   7 -13.820  -1.964 -13.729
   44    HG   SER   7           HG       SER   7 -14.640  -3.900 -14.729
   45    H    PHE   8           H        PHE   8 -10.668  -4.587 -11.945
   46    HA   PHE   8           HA       PHE   8 -10.710  -3.234  -9.394
   47   1HB   PHE   8          2HB       PHE   8 -12.479  -5.314  -9.977
   48   2HB   PHE   8          1HB       PHE   8 -11.180  -6.080  -9.067
   49    HD1  PHE   8           1HD      PHE   8 -12.224  -6.507  -7.009
   50    HD2  PHE   8           2HD      PHE   8 -12.406  -2.638  -8.752
   51    HE1  PHE   8           1HE      PHE   8 -13.176  -5.623  -4.915
   52    HE2  PHE   8           2HE      PHE   8 -13.367  -1.733  -6.660
   53    HZ   PHE   8           HZ       PHE   8 -13.748  -3.233  -4.739
   54    H    LEU   9           H        LEU   9  -9.229  -4.205  -7.895
   55    HA   LEU   9           HA       LEU   9  -6.814  -5.222  -9.088
   56   1HB   LEU   9          2HB       LEU   9  -7.388  -5.059  -6.130
   57   2HB   LEU   9          1HB       LEU   9  -5.838  -4.990  -6.941
   58    HG   LEU   9           HG       LEU   9  -7.359  -2.802  -7.902
   59   1HD1  LEU   9          1HD1      LEU   9  -7.472  -1.633  -5.593
   60   2HD1  LEU   9          2HD1      LEU   9  -8.804  -2.674  -6.102
   61   3HD1  LEU   9          3HD1      LEU   9  -7.600  -3.277  -4.960
   62   1HD2  LEU   9          1HD2      LEU   9  -4.871  -3.098  -7.593
   63   2HD2  LEU   9          2HD2      LEU   9  -5.533  -1.538  -7.111
   64   3HD2  LEU   9          3HD2      LEU   9  -5.135  -2.741  -5.885
   65    HA   PRO  10           HA       PRO  10  -7.341  -9.594  -8.317
   66   1HB   PRO  10          2HB       PRO  10  -5.222  -9.598  -6.226
   67   2HB   PRO  10          1HB       PRO  10  -5.357 -10.571  -7.696
   68   1HG   PRO  10          2HG       PRO  10  -3.608  -8.571  -7.555
   69   2HG   PRO  10          1HG       PRO  10  -4.514  -8.883  -9.049
   70   1HD   PRO  10          2HD       PRO  10  -4.962  -6.784  -6.963
   71   2HD   PRO  10          1HD       PRO  10  -5.077  -6.657  -8.726
   72    HA   PRO  11           HA       PRO  11 -10.314  -9.764  -5.075
   73   1HB   PRO  11          2HB       PRO  11  -9.544 -12.648  -5.003
   74   2HB   PRO  11          1HB       PRO  11 -11.150 -11.911  -5.103
   75   1HG   PRO  11          2HG       PRO  11 -10.027 -12.966  -7.263
   76   2HG   PRO  11          1HG       PRO  11 -10.946 -11.454  -7.369
   77   1HD   PRO  11          2HD       PRO  11  -7.997 -11.888  -7.426
   78   2HD   PRO  11          1HD       PRO  11  -8.981 -10.684  -8.283
   79    H    GLY  12           H        GLY  12  -9.875  -8.991  -3.143
   80   1HA   GLY  12          1HA       GLY  12  -9.243  -9.701  -0.844
   81   2HA   GLY  12          2HA       GLY  12  -7.749 -10.295  -1.556
   82    H    TRP  13           H        TRP  13  -7.698  -7.899  -3.382
   83    HA   TRP  13           HA       TRP  13  -6.235  -6.182  -1.600
   84   1HB   TRP  13          2HB       TRP  13  -6.804  -6.142  -4.550
   85   2HB   TRP  13          1HB       TRP  13  -6.037  -4.771  -3.749
   86    HD1  TRP  13           HD       TRP  13  -5.372  -8.308  -4.912
   87    HE1  TRP  13           1HE      TRP  13  -2.875  -8.836  -4.628
   88    HE3  TRP  13           3HE      TRP  13  -3.964  -4.177  -2.259
   89    HZ2  TRP  13           2HZ      TRP  13  -0.606  -7.663  -3.425
   90    HZ3  TRP  13           3HZ      TRP  13  -1.612  -3.955  -1.584
   91    HH2  TRP  13           HH       TRP  13   0.035  -5.661  -2.156
   92    H    GLU  14           H        GLU  14  -7.197  -4.788  -0.334
   93    HA   GLU  14           HA       GLU  14  -9.736  -3.589  -1.207
   94   1HB   GLU  14          2HB       GLU  14  -9.685  -4.955   0.898
   95   2HB   GLU  14          1HB       GLU  14  -8.613  -3.747   1.590
   96   1HG   GLU  14          2HG       GLU  14 -10.274  -2.162   1.727
   97   2HG   GLU  14          1HG       GLU  14 -11.247  -2.926   0.469
   98    H    MET  15           H        MET  15  -9.314  -1.687  -2.176
   99    HA   MET  15           HA       MET  15  -7.172   0.004  -1.249
  100   1HB   MET  15          2HB       MET  15  -7.725   1.489  -3.047
  101   2HB   MET  15          1HB       MET  15  -7.754  -0.156  -3.661
  102   1HG   MET  15          2HG       MET  15  -9.890  -0.019  -4.241
  103   2HG   MET  15          1HG       MET  15 -10.351   0.774  -2.734
  104   1HE   MET  15          1HE       MET  15  -9.286   2.677  -6.737
  105   2HE   MET  15          2HE       MET  15  -7.968   1.883  -5.876
  106   3HE   MET  15          3HE       MET  15  -9.401   0.963  -6.331
  107    H    ARG  16           H        ARG  16  -7.279   1.654   0.067
  108    HA   ARG  16           HA       ARG  16  -9.889   2.863   0.669
  109   1HB   ARG  16          2HB       ARG  16  -7.908   1.688   2.572
  110   2HB   ARG  16          1HB       ARG  16  -8.740   3.158   3.056
  111   1HG   ARG  16          2HG       ARG  16 -10.509   1.983   3.658
  112   2HG   ARG  16          1HG       ARG  16 -10.665   1.343   2.020
  113   1HD   ARG  16          2HD       ARG  16 -10.148  -0.661   2.828
  114   2HD   ARG  16          1HD       ARG  16  -8.528  -0.048   3.161
  115    HE   ARG  16           HE       ARG  16  -9.039   0.021   5.390
  116   1HH1  ARG  16          2HH1      ARG  16 -11.986  -0.396   3.559
  117   2HH1  ARG  16          1HH1      ARG  16 -12.969  -0.681   4.954
  118   1HH2  ARG  16          2HH2      ARG  16 -10.323  -0.328   7.237
  119   2HH2  ARG  16          1HH2      ARG  16 -12.027  -0.616   7.062
  120    H    ILE  17           H        ILE  17  -9.820   5.086   0.866
  121    HA   ILE  17           HA       ILE  17  -7.315   6.288  -0.018
  122    HB   ILE  17           HB       ILE  17  -9.691   7.989   0.494
  123   1HG1  ILE  17          2HG1      ILE  17 -10.558   5.867  -0.589
  124   2HG1  ILE  17          1HG1      ILE  17 -10.844   7.342  -1.503
  125   1HG2  ILE  17          1HG2      ILE  17  -8.738   9.361  -1.040
  126   2HG2  ILE  17          2HG2      ILE  17  -7.291   8.478  -0.556
  127   3HG2  ILE  17          3HG2      ILE  17  -8.146   8.027  -2.031
  128   1HD1  ILE  17          1HD1      ILE  17 -10.055   6.158  -3.229
  129   2HD1  ILE  17          2HD1      ILE  17  -8.471   6.519  -2.539
  130   3HD1  ILE  17          3HD1      ILE  17  -9.256   4.980  -2.183
  131    H    ALA  18           H        ALA  18  -5.915   6.742   1.508
  132    HA   ALA  18           HA       ALA  18  -6.684   7.273   4.217
  133   1HB   ALA  18          1HB       ALA  18  -4.477   7.032   4.744
  134   2HB   ALA  18          2HB       ALA  18  -4.508   6.157   3.213
  135   3HB   ALA  18          3HB       ALA  18  -3.923   7.820   3.266
  136    HA   PRO  19           HA       PRO  19  -7.287  11.568   4.159
  137   1HB   PRO  19          2HB       PRO  19  -6.124  12.390   6.490
  138   2HB   PRO  19          1HB       PRO  19  -7.663  11.523   6.403
  139   1HG   PRO  19          2HG       PRO  19  -4.921  10.468   6.982
  140   2HG   PRO  19          1HG       PRO  19  -6.458  10.087   7.783
  141   1HD   PRO  19          2HD       PRO  19  -5.366   8.440   5.962
  142   2HD   PRO  19          1HD       PRO  19  -7.125   8.650   6.096
  143    H    ASN  20           H        ASN  20  -4.241  10.458   3.551
  144    HA   ASN  20           HA       ASN  20  -2.998  13.099   3.501
  145   1HB   ASN  20          2HB       ASN  20  -1.419  11.255   2.032
  146   2HB   ASN  20          1HB       ASN  20  -1.083  11.943   3.616
  147   1HD2  ASN  20          1HD2      ASN  20  -1.104  10.649   5.340
  148   2HD2  ASN  20          2HD2      ASN  20  -1.570   8.976   5.317
  149    H    GLY  21           H        GLY  21  -4.872  11.043   1.555
  150   1HA   GLY  21          1HA       GLY  21  -5.948  12.022  -0.381
  151   2HA   GLY  21          2HA       GLY  21  -4.432  12.832  -0.748
  152    H    ARG  22           H        ARG  22  -3.731   9.789   0.324
  153    HA   ARG  22           HA       ARG  22  -3.462   8.845  -2.446
  154   1HB   ARG  22          2HB       ARG  22  -1.832   7.298  -0.719
  155   2HB   ARG  22          1HB       ARG  22  -1.335   8.381  -2.004
  156   1HG   ARG  22          2HG       ARG  22  -1.901  10.061   0.132
  157   2HG   ARG  22          1HG       ARG  22  -1.105   8.664   0.854
  158   1HD   ARG  22          2HD       ARG  22  -0.068  10.405  -1.376
  159   2HD   ARG  22          1HD       ARG  22   0.570  10.270   0.263
  160    HE   ARG  22           HE       ARG  22   0.747   8.194  -1.816
  161   1HH1  ARG  22          2HH1      ARG  22   1.812   9.581   1.220
  162   2HH1  ARG  22          1HH1      ARG  22   3.175   8.508   1.376
  163   1HH2  ARG  22          2HH2      ARG  22   2.537   6.766  -1.600
  164   2HH2  ARG  22          1HH2      ARG  22   3.571   6.903  -0.203
  165    HA   PRO  23           HA       PRO  23  -6.169   5.393  -1.329
  166   1HB   PRO  23          2HB       PRO  23  -5.196   4.515  -3.987
  167   2HB   PRO  23          1HB       PRO  23  -6.853   4.647  -3.390
  168   1HG   PRO  23          2HG       PRO  23  -5.897   6.400  -5.156
  169   2HG   PRO  23          1HG       PRO  23  -6.965   6.927  -3.840
  170   1HD   PRO  23          2HD       PRO  23  -3.984   7.165  -4.069
  171   2HD   PRO  23          1HD       PRO  23  -5.166   8.348  -3.466
  172    H    PHE  24           H        PHE  24  -5.350   3.846  -0.052
  173    HA   PHE  24           HA       PHE  24  -2.862   2.565  -0.947
  174   1HB   PHE  24          2HB       PHE  24  -2.179   2.173   1.272
  175   2HB   PHE  24          1HB       PHE  24  -2.750   3.830   1.263
  176    HD1  PHE  24           1HD      PHE  24  -3.351   0.437   2.523
  177    HD2  PHE  24           2HD      PHE  24  -4.766   4.458   2.425
  178    HE1  PHE  24           1HE      PHE  24  -4.801  -0.028   4.443
  179    HE2  PHE  24           2HE      PHE  24  -6.229   3.989   4.335
  180    HZ   PHE  24           HZ       PHE  24  -6.254   1.746   5.353
  181    H    PHE  25           H        PHE  25  -2.761   0.404  -1.036
  182    HA   PHE  25           HA       PHE  25  -5.368  -0.931  -0.949
  183   1HB   PHE  25          2HB       PHE  25  -2.925  -1.864  -2.452
  184   2HB   PHE  25          1HB       PHE  25  -4.597  -2.371  -2.679
  185    HD1  PHE  25           1HD      PHE  25  -6.211  -0.860  -3.735
  186    HD2  PHE  25           2HD      PHE  25  -2.082   0.115  -3.483
  187    HE1  PHE  25           1HE      PHE  25  -6.527   0.872  -5.447
  188    HE2  PHE  25           2HE      PHE  25  -2.385   1.850  -5.199
  189    HZ   PHE  25           HZ       PHE  25  -4.607   2.221  -6.189
  190    H    ILE  26           H        ILE  26  -5.677  -2.046   0.758
  191    HA   ILE  26           HA       ILE  26  -3.410  -3.367   2.014
  192    HB   ILE  26           HB       ILE  26  -4.921  -1.918   3.381
  193   1HG1  ILE  26          2HG1      ILE  26  -3.495  -4.018   4.050
  194   2HG1  ILE  26          1HG1      ILE  26  -4.442  -3.130   5.233
  195   1HG2  ILE  26          1HG2      ILE  26  -6.947  -3.738   2.384
  196   2HG2  ILE  26          2HG2      ILE  26  -6.979  -3.551   4.136
  197   3HG2  ILE  26          3HG2      ILE  26  -7.103  -2.132   3.096
  198   1HD1  ILE  26          1HD1      ILE  26  -4.645  -5.556   5.487
  199   2HD1  ILE  26          2HD1      ILE  26  -6.195  -4.804   5.107
  200   3HD1  ILE  26          3HD1      ILE  26  -5.301  -5.665   3.853
  201    H    ASP  27           H        ASP  27  -2.983  -5.287   1.383
  202    HA   ASP  27           HA       ASP  27  -4.868  -6.896  -0.067
  203   1HB   ASP  27          2HB       ASP  27  -2.661  -7.070  -0.858
  204   2HB   ASP  27          1HB       ASP  27  -1.999  -7.248   0.766
  205    H    HIS  28           H        HIS  28  -6.217  -8.337   0.774
  206    HA   HIS  28           HA       HIS  28  -5.961  -8.989   3.607
  207   1HB   HIS  28          2HB       HIS  28  -8.213  -9.208   1.619
  208   2HB   HIS  28          1HB       HIS  28  -8.290 -10.008   3.184
  209    HD1  HIS  28           1HD      HIS  28  -7.682  -8.157   5.250
  210    HD2  HIS  28           2HD      HIS  28  -9.351  -6.762   1.701
  211    HE1  HIS  28           1HE      HIS  28  -8.697  -5.922   5.807
  212    HE2  HIS  28           2HE      HIS  28  -9.888  -5.203   3.703
  213    H    ASN  29           H        ASN  29  -4.776 -10.292   0.866
  214    HA   ASN  29           HA       ASN  29  -5.395 -13.064   1.448
  215   1HB   ASN  29          2HB       ASN  29  -3.520 -11.818  -0.576
  216   2HB   ASN  29          1HB       ASN  29  -3.881 -13.530  -0.458
  217   1HD2  ASN  29          1HD2      ASN  29  -4.946 -10.447  -1.521
  218   2HD2  ASN  29          2HD2      ASN  29  -6.367 -10.997  -2.365
  219    H    THR  30           H        THR  30  -2.391 -11.171   1.115
  220    HA   THR  30           HA       THR  30  -1.093 -13.038   2.987
  221    HB   THR  30           HB       THR  30   1.016 -12.402   2.005
  222    HG1  THR  30           1HG      THR  30  -0.558 -10.424   0.687
  223   1HG2  THR  30          1HG2      THR  30   0.489 -12.905  -0.471
  224   2HG2  THR  30          2HG2      THR  30  -1.182 -13.066   0.074
  225   3HG2  THR  30          3HG2      THR  30   0.070 -14.120   0.739
  226    H    LYS  31           H        LYS  31  -2.527 -10.093   2.936
  227    HA   LYS  31           HA       LYS  31  -2.720  -8.439   4.460
  228   1HB   LYS  31          2HB       LYS  31  -1.670 -10.598   5.937
  229   2HB   LYS  31          1HB       LYS  31  -0.778  -9.169   6.443
  230   1HG   LYS  31          2HG       LYS  31  -2.557  -8.274   7.484
  231   2HG   LYS  31          1HG       LYS  31  -3.686  -8.817   6.242
  232   1HD   LYS  31          2HD       LYS  31  -4.158  -9.914   8.355
  233   2HD   LYS  31          1HD       LYS  31  -3.592 -11.088   7.166
  234   1HE   LYS  31          2HE       LYS  31  -2.563 -11.510   9.325
  235   2HE   LYS  31          1HE       LYS  31  -1.348 -10.996   8.159
  236   1HZ   LYS  31          1HZ       LYS  31  -0.956  -9.883  10.215
  237   2HZ   LYS  31          2HZ       LYS  31  -2.567  -9.344  10.308
  238   3HZ   LYS  31          3HZ       LYS  31  -1.537  -8.732   9.111
  239    H    THR  32           H        THR  32  -1.587  -7.280   2.682
  240    HA   THR  32           HA       THR  32   0.869  -6.073   3.778
  241    HB   THR  32           HB       THR  32   0.685  -5.779   0.903
  242    HG1  THR  32           1HG      THR  32  -0.049  -8.154   1.722
  243   1HG2  THR  32          1HG2      THR  32   2.773  -5.304   1.646
  244   2HG2  THR  32          2HG2      THR  32   3.014  -7.021   1.311
  245   3HG2  THR  32          3HG2      THR  32   2.691  -6.477   2.958
  246    H    THR  33           H        THR  33   0.986  -3.860   3.687
  247    HA   THR  33           HA       THR  33  -1.393  -2.470   2.628
  248    HB   THR  33           HB       THR  33  -0.041  -0.798   4.481
  249    HG1  THR  33           1HG      THR  33   0.205  -2.049   6.256
  250   1HG2  THR  33          1HG2      THR  33  -2.671  -2.238   4.437
  251   2HG2  THR  33          2HG2      THR  33  -2.342  -0.522   4.191
  252   3HG2  THR  33          3HG2      THR  33  -2.200  -1.228   5.803
  253    H    THR  34           H        THR  34  -0.678  -1.826   0.631
  254    HA   THR  34           HA       THR  34   1.760  -0.175   0.594
  255    HB   THR  34           HB       THR  34   2.215  -2.282  -0.551
  256    HG1  THR  34           1HG      THR  34   2.544  -1.251  -2.757
  257   1HG2  THR  34          1HG2      THR  34   0.631  -3.337  -1.704
  258   2HG2  THR  34          2HG2      THR  34   0.672  -2.050  -2.908
  259   3HG2  THR  34          3HG2      THR  34  -0.442  -1.946  -1.545
  260    H    TRP  35           H        TRP  35   1.744   1.642  -0.751
  261    HA   TRP  35           HA       TRP  35  -0.896   2.665  -1.423
  262   1HB   TRP  35          2HB       TRP  35   1.689   4.115  -1.907
  263   2HB   TRP  35          1HB       TRP  35   0.100   4.779  -1.585
  264    HD1  TRP  35           HD       TRP  35   3.088   3.197   0.202
  265    HE1  TRP  35           1HE      TRP  35   2.985   3.823   2.695
  266    HE3  TRP  35           3HE      TRP  35  -1.501   5.454   0.271
  267    HZ2  TRP  35           2HZ      TRP  35   1.185   5.122   4.449
  268    HZ3  TRP  35           3HZ      TRP  35  -2.333   6.358   2.387
  269    HH2  TRP  35           HH       TRP  35  -1.022   6.197   4.429
  270    H    GLU  36           H        GLU  36   1.708   1.107  -2.863
  271    HA   GLU  36           HA       GLU  36   1.404   2.180  -5.515
  272   1HB   GLU  36          2HB       GLU  36   2.839  -0.374  -4.859
  273   2HB   GLU  36          1HB       GLU  36   3.198   0.804  -6.115
  274   1HG   GLU  36          2HG       GLU  36   3.407   1.594  -3.247
  275   2HG   GLU  36          1HG       GLU  36   4.695   0.651  -3.996
  276    H    ASP  37           H        ASP  37  -0.001   1.517  -6.999
  277    HA   ASP  37           HA       ASP  37  -1.921  -0.478  -6.376
  278   1HB   ASP  37          2HB       ASP  37  -2.442   1.586  -7.655
  279   2HB   ASP  37          1HB       ASP  37  -1.501   0.958  -9.000
  280    HA   PRO  38           HA       PRO  38   0.365  -3.780  -8.284
  281   1HB   PRO  38          2HB       PRO  38  -0.878  -5.762  -7.049
  282   2HB   PRO  38          1HB       PRO  38   0.124  -4.624  -6.138
  283   1HG   PRO  38          2HG       PRO  38  -2.854  -4.750  -6.385
  284   2HG   PRO  38          1HG       PRO  38  -1.860  -4.398  -4.960
  285   1HD   PRO  38          2HD       PRO  38  -3.076  -2.494  -6.614
  286   2HD   PRO  38          1HD       PRO  38  -1.771  -2.181  -5.456
  287    H    ARG  39           H        ARG  39  -2.563  -2.700  -9.398
  288    HA   ARG  39           HA       ARG  39  -3.204  -5.189 -10.769
  289   1HB   ARG  39          2HB       ARG  39  -5.250  -4.297 -11.256
  290   2HB   ARG  39          1HB       ARG  39  -4.880  -3.415  -9.782
  291   1HG   ARG  39          2HG       ARG  39  -3.977  -1.584 -11.228
  292   2HG   ARG  39          1HG       ARG  39  -4.645  -2.449 -12.603
  293   1HD   ARG  39          2HD       ARG  39  -6.523  -1.297 -12.205
  294   2HD   ARG  39          1HD       ARG  39  -6.735  -2.390 -10.834
  295    HE   ARG  39           HE       ARG  39  -5.273  -0.615  -9.649
  296   1HH1  ARG  39          2HH1      ARG  39  -7.806   0.052 -12.014
  297   2HH1  ARG  39          1HH1      ARG  39  -8.158   1.617 -11.349
  298   1HH2  ARG  39          2HH2      ARG  39  -5.759   1.404  -8.802
  299   2HH2  ARG  39          1HH2      ARG  39  -7.011   2.389  -9.524
  300    H    LEU  40           H        LEU  40  -1.454  -2.307 -11.184
  301    HA   LEU  40           HA       LEU  40  -1.530  -2.272 -14.062
  302   1HB   LEU  40          2HB       LEU  40   0.567  -0.866 -12.460
  303   2HB   LEU  40          1HB       LEU  40  -0.209  -0.365 -13.950
  304    HG   LEU  40           HG       LEU  40  -1.722  -0.487 -11.353
  305   1HD1  LEU  40          1HD1      LEU  40  -1.285   2.093 -11.507
  306   2HD1  LEU  40          2HD1      LEU  40  -0.131   1.031 -10.701
  307   3HD1  LEU  40          3HD1      LEU  40   0.176   1.579 -12.347
  308   1HD2  LEU  40          1HD2      LEU  40  -3.409   0.057 -12.691
  309   2HD2  LEU  40          2HD2      LEU  40  -2.589   1.582 -13.024
  310   3HD2  LEU  40          3HD2      LEU  40  -2.326   0.193 -14.077
  311    H    LYS  41           H        LYS  41   0.638  -3.441 -11.557
  312    HA   LYS  41           HA       LYS  41   2.030  -5.044 -13.534
  313   1HB   LYS  41          2HB       LYS  41   4.260  -4.343 -12.656
  314   2HB   LYS  41          1HB       LYS  41   3.416  -3.076 -13.534
  315   1HG   LYS  41          2HG       LYS  41   3.626  -1.721 -11.799
  316   2HG   LYS  41          1HG       LYS  41   2.729  -2.855 -10.786
  317   1HD   LYS  41          2HD       LYS  41   5.366  -3.865 -11.151
  318   2HD   LYS  41          1HD       LYS  41   5.480  -2.173 -10.664
  319   1HE   LYS  41          2HE       LYS  41   5.414  -3.238  -8.623
  320   2HE   LYS  41          1HE       LYS  41   3.713  -2.855  -8.877
  321   1HZ   LYS  41          1HZ       LYS  41   3.228  -5.053  -9.441
  322   2HZ   LYS  41          2HZ       LYS  41   4.284  -5.196  -8.116
  323   3HZ   LYS  41          3HZ       LYS  41   4.857  -5.460  -9.689
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -16.616 -14.440 -20.520
    2   2H    GLY   1          2H        GLY   1 -17.974 -15.101 -21.293
    3   3H    GLY   1          3H        GLY   1 -17.353 -13.609 -21.801
    4   1HA   GLY   1          2HA       GLY   1 -16.710 -16.142 -22.745
    5   2HA   GLY   1          1HA       GLY   1 -16.044 -14.595 -23.247
    6    H    SER   2           H        SER   2 -13.911 -14.689 -23.268
    7    HA   SER   2           HA       SER   2 -12.474 -16.567 -21.636
    8   1HB   SER   2          2HB       SER   2 -10.761 -14.663 -22.938
    9   2HB   SER   2          1HB       SER   2 -10.982 -16.376 -23.296
   10    HG   SER   2           HG       SER   2 -12.373 -15.905 -24.849
   11    HA   PRO   3           HA       PRO   3 -11.865 -13.907 -18.130
   12   1HB   PRO   3          2HB       PRO   3  -9.586 -15.118 -17.178
   13   2HB   PRO   3          1HB       PRO   3 -11.224 -15.717 -16.897
   14   1HG   PRO   3          2HG       PRO   3  -9.204 -16.604 -18.917
   15   2HG   PRO   3          1HG       PRO   3 -10.315 -17.578 -17.937
   16   1HD   PRO   3          2HD       PRO   3 -10.809 -17.043 -20.523
   17   2HD   PRO   3          1HD       PRO   3 -12.115 -17.151 -19.325
   18    H    GLY   4           H        GLY   4 -11.248 -11.904 -18.748
   19   1HA   GLY   4          1HA       GLY   4  -8.482 -11.538 -19.702
   20   2HA   GLY   4          2HA       GLY   4  -9.812 -10.436 -20.027
   21    H    ILE   5           H        ILE   5  -8.646  -8.682 -19.229
   22    HA   ILE   5           HA       ILE   5  -8.081  -8.707 -16.338
   23    HB   ILE   5           HB       ILE   5  -7.267  -6.494 -18.205
   24   1HG1  ILE   5          2HG1      ILE   5  -6.441  -8.638 -19.162
   25   2HG1  ILE   5          1HG1      ILE   5  -5.142  -7.576 -18.632
   26   1HG2  ILE   5          1HG2      ILE   5  -5.486  -6.173 -16.550
   27   2HG2  ILE   5          2HG2      ILE   5  -7.092  -6.069 -15.829
   28   3HG2  ILE   5          3HG2      ILE   5  -6.124  -7.526 -15.615
   29   1HD1  ILE   5          1HD1      ILE   5  -6.172 -10.030 -17.235
   30   2HD1  ILE   5          2HD1      ILE   5  -4.603  -9.811 -18.010
   31   3HD1  ILE   5          3HD1      ILE   5  -4.994  -8.915 -16.542
   32    H    GLN   6           H        GLN   6 -10.047  -8.284 -15.443
   33    HA   GLN   6           HA       GLN   6 -11.764  -6.248 -16.570
   34   1HB   GLN   6          2HB       GLN   6 -12.096  -8.497 -14.831
   35   2HB   GLN   6          1HB       GLN   6 -12.708  -7.058 -14.025
   36   1HG   GLN   6          2HG       GLN   6 -14.590  -7.422 -15.147
   37   2HG   GLN   6          1HG       GLN   6 -13.726  -6.800 -16.552
   38   1HE2  GLN   6          1HE2      GLN   6 -12.567  -8.399 -17.868
   39   2HE2  GLN   6          2HE2      GLN   6 -13.262  -9.978 -18.049
   40    H    SER   7           H        SER   7 -12.681  -4.572 -15.104
   41    HA   SER   7           HA       SER   7 -10.488  -3.055 -14.050
   42   1HB   SER   7          2HB       SER   7 -12.884  -1.715 -13.504
   43   2HB   SER   7          1HB       SER   7 -11.799  -1.443 -14.868
   44    HG   SER   7           HG       SER   7 -14.226  -2.806 -14.742
   45    H    PHE   8           H        PHE   8  -9.869  -4.227 -12.237
   46    HA   PHE   8           HA       PHE   8 -10.595  -3.286  -9.793
   47   1HB   PHE   8          2HB       PHE   8 -12.513  -5.212 -10.622
   48   2HB   PHE   8          1HB       PHE   8 -11.549  -5.945  -9.347
   49    HD1  PHE   8           1HD      PHE   8 -13.262  -5.996  -7.690
   50    HD2  PHE   8           2HD      PHE   8 -12.212  -2.346  -9.605
   51    HE1  PHE   8           1HE      PHE   8 -14.558  -4.752  -6.008
   52    HE2  PHE   8           2HE      PHE   8 -13.508  -1.089  -7.923
   53    HZ   PHE   8           HZ       PHE   8 -14.682  -2.293  -6.124
   54    H    LEU   9           H        LEU   9  -9.444  -4.266  -8.089
   55    HA   LEU   9           HA       LEU   9  -7.197  -5.900  -8.898
   56   1HB   LEU   9          2HB       LEU   9  -7.824  -5.283  -6.032
   57   2HB   LEU   9          1HB       LEU   9  -6.268  -5.455  -6.812
   58    HG   LEU   9           HG       LEU   9  -7.354  -3.205  -8.022
   59   1HD1  LEU   9          1HD1      LEU   9  -9.091  -2.828  -6.513
   60   2HD1  LEU   9          2HD1      LEU   9  -8.131  -3.361  -5.132
   61   3HD1  LEU   9          3HD1      LEU   9  -7.781  -1.813  -5.905
   62   1HD2  LEU   9          1HD2      LEU   9  -5.656  -2.762  -5.672
   63   2HD2  LEU   9          2HD2      LEU   9  -5.048  -3.953  -6.826
   64   3HD2  LEU   9          3HD2      LEU   9  -5.406  -2.307  -7.359
   65    HA   PRO  10           HA       PRO  10  -8.764  -9.849  -7.400
   66   1HB   PRO  10          2HB       PRO  10  -6.765  -9.874  -5.203
   67   2HB   PRO  10          1HB       PRO  10  -7.079 -11.090  -6.446
   68   1HG   PRO  10          2HG       PRO  10  -4.911  -9.540  -6.577
   69   2HG   PRO  10          1HG       PRO  10  -5.808  -9.976  -8.043
   70   1HD   PRO  10          2HD       PRO  10  -5.810  -7.410  -6.507
   71   2HD   PRO  10          1HD       PRO  10  -5.860  -7.668  -8.263
   72    HA   PRO  11           HA       PRO  11 -11.793  -8.532  -4.518
   73   1HB   PRO  11          2HB       PRO  11 -11.752 -11.375  -3.615
   74   2HB   PRO  11          1HB       PRO  11 -13.121 -10.361  -4.080
   75   1HG   PRO  11          2HG       PRO  11 -12.193 -12.189  -5.760
   76   2HG   PRO  11          1HG       PRO  11 -12.693 -10.594  -6.353
   77   1HD   PRO  11          2HD       PRO  11  -9.949 -11.689  -5.942
   78   2HD   PRO  11          1HD       PRO  11 -10.550 -10.588  -7.198
   79    H    GLY  12           H        GLY  12  -9.084 -10.440  -3.322
   80   1HA   GLY  12          1HA       GLY  12  -9.566  -9.886  -0.555
   81   2HA   GLY  12          2HA       GLY  12  -8.095 -10.551  -1.244
   82    H    TRP  13           H        TRP  13  -8.414  -7.926  -3.042
   83    HA   TRP  13           HA       TRP  13  -6.720  -6.332  -1.273
   84   1HB   TRP  13          2HB       TRP  13  -7.299  -6.248  -4.226
   85   2HB   TRP  13          1HB       TRP  13  -6.502  -4.907  -3.412
   86    HD1  TRP  13           HD       TRP  13  -5.964  -8.631  -4.215
   87    HE1  TRP  13           1HE      TRP  13  -3.440  -9.106  -4.195
   88    HE3  TRP  13           3HE      TRP  13  -4.292  -4.087  -2.590
   89    HZ2  TRP  13           2HZ      TRP  13  -1.048  -7.737  -3.570
   90    HZ3  TRP  13           3HZ      TRP  13  -1.879  -3.749  -2.304
   91    HH2  TRP  13           HH       TRP  13  -0.284  -5.537  -2.788
   92    H    GLU  14           H        GLU  14  -7.561  -4.770  -0.107
   93    HA   GLU  14           HA       GLU  14 -10.107  -3.591  -0.991
   94   1HB   GLU  14          2HB       GLU  14  -9.809  -4.853   1.287
   95   2HB   GLU  14          1HB       GLU  14  -9.067  -3.347   1.807
   96   1HG   GLU  14          2HG       GLU  14 -11.159  -2.188   1.026
   97   2HG   GLU  14          1HG       GLU  14 -11.875  -3.790   0.854
   98    H    MET  15           H        MET  15  -9.697  -1.753  -2.054
   99    HA   MET  15           HA       MET  15  -7.456  -0.092  -1.379
  100   1HB   MET  15          2HB       MET  15  -8.191   1.371  -3.150
  101   2HB   MET  15          1HB       MET  15  -8.282  -0.293  -3.705
  102   1HG   MET  15          2HG       MET  15 -10.749   0.818  -2.543
  103   2HG   MET  15          1HG       MET  15 -10.212   1.521  -4.070
  104   1HE   MET  15          1HE       MET  15 -10.963   0.827  -6.100
  105   2HE   MET  15          2HE       MET  15 -11.878  -0.637  -6.467
  106   3HE   MET  15          3HE       MET  15 -12.539   0.563  -5.357
  107    H    ARG  16           H        ARG  16  -7.379   1.573  -0.063
  108    HA   ARG  16           HA       ARG  16  -9.888   2.827   0.822
  109   1HB   ARG  16          2HB       ARG  16  -7.768   1.558   2.471
  110   2HB   ARG  16          1HB       ARG  16  -8.406   3.091   3.051
  111   1HG   ARG  16          2HG       ARG  16 -10.367   2.190   3.645
  112   2HG   ARG  16          1HG       ARG  16 -10.421   1.114   2.246
  113   1HD   ARG  16          2HD       ARG  16  -8.841  -0.383   3.288
  114   2HD   ARG  16          1HD       ARG  16  -8.646   0.720   4.650
  115    HE   ARG  16           HE       ARG  16 -10.970  -0.972   4.075
  116   1HH1  ARG  16          2HH1      ARG  16  -9.365   1.351   6.172
  117   2HH1  ARG  16          1HH1      ARG  16 -10.404   1.024   7.530
  118   1HH2  ARG  16          2HH2      ARG  16 -12.346  -1.364   5.849
  119   2HH2  ARG  16          1HH2      ARG  16 -12.105  -0.495   7.336
  120    H    ILE  17           H        ILE  17  -9.742   5.054   1.101
  121    HA   ILE  17           HA       ILE  17  -7.254   6.238   0.108
  122    HB   ILE  17           HB       ILE  17  -9.576   7.996   0.624
  123   1HG1  ILE  17          2HG1      ILE  17 -10.517   5.828  -0.367
  124   2HG1  ILE  17          1HG1      ILE  17 -10.879   7.317  -1.227
  125   1HG2  ILE  17          1HG2      ILE  17  -7.318   8.586  -0.411
  126   2HG2  ILE  17          2HG2      ILE  17  -7.911   7.774  -1.862
  127   3HG2  ILE  17          3HG2      ILE  17  -8.769   9.178  -1.222
  128   1HD1  ILE  17          1HD1      ILE  17 -10.181   6.278  -3.055
  129   2HD1  ILE  17          2HD1      ILE  17  -8.547   6.428  -2.409
  130   3HD1  ILE  17          3HD1      ILE  17  -9.477   4.956  -2.124
  131    H    ALA  18           H        ALA  18  -5.850   6.726   1.621
  132    HA   ALA  18           HA       ALA  18  -6.671   7.241   4.336
  133   1HB   ALA  18          1HB       ALA  18  -4.314   7.234   4.846
  134   2HB   ALA  18          2HB       ALA  18  -4.684   5.876   3.781
  135   3HB   ALA  18          3HB       ALA  18  -3.910   7.320   3.132
  136    HA   PRO  19           HA       PRO  19  -6.883  11.592   4.411
  137   1HB   PRO  19          2HB       PRO  19  -4.991  11.703   6.684
  138   2HB   PRO  19          1HB       PRO  19  -6.672  12.237   6.588
  139   1HG   PRO  19          2HG       PRO  19  -6.029  10.038   7.934
  140   2HG   PRO  19          1HG       PRO  19  -7.506  10.102   6.954
  141   1HD   PRO  19          2HD       PRO  19  -4.863   8.839   6.317
  142   2HD   PRO  19          1HD       PRO  19  -6.503   8.209   6.056
  143    H    ASN  20           H        ASN  20  -3.909  10.227   3.650
  144    HA   ASN  20           HA       ASN  20  -2.543  12.784   3.328
  145   1HB   ASN  20          2HB       ASN  20  -1.219  10.772   1.820
  146   2HB   ASN  20          1HB       ASN  20  -0.699  11.498   3.335
  147   1HD2  ASN  20          1HD2      ASN  20  -0.305  10.109   4.900
  148   2HD2  ASN  20          2HD2      ASN  20  -1.036   8.549   5.073
  149    H    GLY  21           H        GLY  21  -4.909  11.060   1.790
  150   1HA   GLY  21          1HA       GLY  21  -6.026  11.670  -0.165
  151   2HA   GLY  21          2HA       GLY  21  -4.642  12.654  -0.628
  152    H    ARG  22           H        ARG  22  -3.818   9.548   0.416
  153    HA   ARG  22           HA       ARG  22  -3.364   8.735  -2.370
  154   1HB   ARG  22          2HB       ARG  22  -1.981   7.502  -0.017
  155   2HB   ARG  22          1HB       ARG  22  -1.455   7.581  -1.692
  156   1HG   ARG  22          2HG       ARG  22  -1.735  10.072  -0.069
  157   2HG   ARG  22          1HG       ARG  22  -0.298   9.058   0.068
  158   1HD   ARG  22          2HD       ARG  22   0.403  10.433  -1.612
  159   2HD   ARG  22          1HD       ARG  22  -0.419   9.215  -2.589
  160    HE   ARG  22           HE       ARG  22  -2.389  10.770  -2.522
  161   1HH1  ARG  22          2HH1      ARG  22   0.895  11.925  -2.235
  162   2HH1  ARG  22          1HH1      ARG  22   0.503  13.554  -2.706
  163   1HH2  ARG  22          2HH2      ARG  22  -2.919  12.898  -3.189
  164   2HH2  ARG  22          1HH2      ARG  22  -1.667  14.105  -3.262
  165    HA   PRO  23           HA       PRO  23  -6.230   5.316  -1.597
  166   1HB   PRO  23          2HB       PRO  23  -5.244   4.651  -4.306
  167   2HB   PRO  23          1HB       PRO  23  -6.901   4.767  -3.708
  168   1HG   PRO  23          2HG       PRO  23  -5.886   6.645  -5.314
  169   2HG   PRO  23          1HG       PRO  23  -6.967   7.077  -3.976
  170   1HD   PRO  23          2HD       PRO  23  -3.982   7.285  -4.143
  171   2HD   PRO  23          1HD       PRO  23  -5.155   8.424  -3.443
  172    H    PHE  24           H        PHE  24  -5.340   3.850  -0.316
  173    HA   PHE  24           HA       PHE  24  -2.956   2.450  -1.308
  174   1HB   PHE  24          2HB       PHE  24  -2.211   2.050   0.899
  175   2HB   PHE  24          1HB       PHE  24  -2.680   3.738   0.862
  176    HD1  PHE  24           1HD      PHE  24  -3.505   0.405   2.189
  177    HD2  PHE  24           2HD      PHE  24  -4.539   4.536   2.130
  178    HE1  PHE  24           1HE      PHE  24  -4.894   0.083   4.178
  179    HE2  PHE  24           2HE      PHE  24  -5.939   4.213   4.117
  180    HZ   PHE  24           HZ       PHE  24  -6.125   1.986   5.147
  181    H    PHE  25           H        PHE  25  -2.947   0.269  -1.355
  182    HA   PHE  25           HA       PHE  25  -5.606  -0.935  -1.097
  183   1HB   PHE  25          2HB       PHE  25  -3.300  -2.027  -2.702
  184   2HB   PHE  25          1HB       PHE  25  -5.004  -2.454  -2.824
  185    HD1  PHE  25           1HD      PHE  25  -2.407  -0.186  -3.894
  186    HD2  PHE  25           2HD      PHE  25  -6.610  -0.824  -3.785
  187    HE1  PHE  25           1HE      PHE  25  -2.709   1.519  -5.641
  188    HE2  PHE  25           2HE      PHE  25  -6.923   0.877  -5.534
  189    HZ   PHE  25           HZ       PHE  25  -4.966   2.043  -6.469
  190    H    ILE  26           H        ILE  26  -5.882  -2.033   0.626
  191    HA   ILE  26           HA       ILE  26  -3.588  -3.277   1.892
  192    HB   ILE  26           HB       ILE  26  -5.143  -1.809   3.204
  193   1HG1  ILE  26          2HG1      ILE  26  -3.616  -3.791   3.983
  194   2HG1  ILE  26          1HG1      ILE  26  -4.636  -2.923   5.123
  195   1HG2  ILE  26          1HG2      ILE  26  -7.308  -2.119   2.948
  196   2HG2  ILE  26          2HG2      ILE  26  -7.097  -3.751   2.315
  197   3HG2  ILE  26          3HG2      ILE  26  -7.125  -3.478   4.058
  198   1HD1  ILE  26          1HD1      ILE  26  -6.225  -5.004   4.166
  199   2HD1  ILE  26          2HD1      ILE  26  -4.627  -5.710   4.411
  200   3HD1  ILE  26          3HD1      ILE  26  -5.444  -4.895   5.745
  201    H    ASP  27           H        ASP  27  -3.130  -5.245   1.487
  202    HA   ASP  27           HA       ASP  27  -4.981  -6.950   0.069
  203   1HB   ASP  27          2HB       ASP  27  -2.966  -7.336  -0.894
  204   2HB   ASP  27          1HB       ASP  27  -2.074  -6.832   0.538
  205    H    HIS  28           H        HIS  28  -6.187  -8.471   0.969
  206    HA   HIS  28           HA       HIS  28  -5.838  -8.983   3.825
  207   1HB   HIS  28          2HB       HIS  28  -8.143  -9.379   1.928
  208   2HB   HIS  28          1HB       HIS  28  -8.141 -10.072   3.544
  209    HD1  HIS  28           1HD      HIS  28  -7.594  -8.077   5.480
  210    HD2  HIS  28           2HD      HIS  28  -9.333  -6.957   1.867
  211    HE1  HIS  28           1HE      HIS  28  -8.691  -5.848   5.908
  212    HE2  HIS  28           2HE      HIS  28  -9.928  -5.311   3.774
  213    H    ASN  29           H        ASN  29  -4.503 -10.336   1.264
  214    HA   ASN  29           HA       ASN  29  -5.141 -13.104   1.909
  215   1HB   ASN  29          2HB       ASN  29  -3.228 -12.002  -0.159
  216   2HB   ASN  29          1HB       ASN  29  -3.762 -13.664  -0.010
  217   1HD2  ASN  29          1HD2      ASN  29  -4.451 -10.548  -1.211
  218   2HD2  ASN  29          2HD2      ASN  29  -5.939 -10.941  -2.012
  219    H    THR  30           H        THR  30  -2.410 -10.845   1.875
  220    HA   THR  30           HA       THR  30  -0.957 -12.718   3.623
  221    HB   THR  30           HB       THR  30   1.151 -11.908   2.528
  222    HG1  THR  30           1HG      THR  30  -0.548 -10.203   1.349
  223   1HG2  THR  30          1HG2      THR  30   0.844 -13.255   0.476
  224   2HG2  THR  30          2HG2      THR  30  -0.895 -13.266   0.774
  225   3HG2  THR  30          3HG2      THR  30   0.201 -14.053   1.912
  226    H    LYS  31           H        LYS  31  -2.620 -10.170   3.962
  227    HA   LYS  31           HA       LYS  31  -2.690  -8.366   5.328
  228   1HB   LYS  31          2HB       LYS  31  -0.317  -9.252   6.886
  229   2HB   LYS  31          1HB       LYS  31  -1.867  -8.653   7.449
  230   1HG   LYS  31          2HG       LYS  31  -2.736 -10.707   7.618
  231   2HG   LYS  31          1HG       LYS  31  -2.005 -11.250   6.105
  232   1HD   LYS  31          2HD       LYS  31  -0.082 -10.778   8.265
  233   2HD   LYS  31          1HD       LYS  31  -1.246 -12.060   8.604
  234   1HE   LYS  31          2HE       LYS  31   0.183 -13.365   7.466
  235   2HE   LYS  31          1HE       LYS  31  -0.546 -12.630   6.038
  236   1HZ   LYS  31          1HZ       LYS  31   1.824 -11.476   7.392
  237   2HZ   LYS  31          2HZ       LYS  31   1.228 -11.117   5.844
  238   3HZ   LYS  31          3HZ       LYS  31   1.955 -12.620   6.145
  239    H    THR  32           H        THR  32  -1.624  -7.469   3.161
  240    HA   THR  32           HA       THR  32   0.793  -5.999   4.006
  241    HB   THR  32           HB       THR  32   0.293  -6.142   1.115
  242    HG1  THR  32           1HG      THR  32  -0.260  -8.290   1.685
  243   1HG2  THR  32          1HG2      THR  32   2.824  -7.022   2.391
  244   2HG2  THR  32          2HG2      THR  32   2.346  -5.338   2.614
  245   3HG2  THR  32          3HG2      THR  32   2.560  -5.985   0.987
  246    H    THR  33           H        THR  33   0.934  -3.814   3.471
  247    HA   THR  33           HA       THR  33  -1.534  -2.570   2.445
  248    HB   THR  33           HB       THR  33  -0.140  -0.767   4.184
  249    HG1  THR  33           1HG      THR  33  -0.622  -3.375   5.183
  250   1HG2  THR  33          1HG2      THR  33  -2.632  -0.998   3.451
  251   2HG2  THR  33          2HG2      THR  33  -2.245  -0.374   5.054
  252   3HG2  THR  33          3HG2      THR  33  -2.752  -2.052   4.858
  253    H    THR  34           H        THR  34  -0.896  -1.962   0.421
  254    HA   THR  34           HA       THR  34   1.610  -0.432   0.249
  255    HB   THR  34           HB       THR  34   1.602  -2.799  -0.796
  256    HG1  THR  34           1HG      THR  34   2.704  -1.663  -2.766
  257   1HG2  THR  34          1HG2      THR  34   0.796  -2.947  -3.078
  258   2HG2  THR  34          2HG2      THR  34   0.197  -1.289  -3.004
  259   3HG2  THR  34          3HG2      THR  34  -0.547  -2.541  -2.007
  260    H    TRP  35           H        TRP  35   1.677   1.287  -1.228
  261    HA   TRP  35           HA       TRP  35  -0.927   2.474  -1.758
  262   1HB   TRP  35          2HB       TRP  35   1.752   3.730  -2.315
  263   2HB   TRP  35          1HB       TRP  35   0.215   4.525  -2.020
  264    HD1  TRP  35           HD       TRP  35   3.087   2.788  -0.177
  265    HE1  TRP  35           1HE      TRP  35   2.993   3.447   2.308
  266    HE3  TRP  35           3HE      TRP  35  -1.366   5.299  -0.179
  267    HZ2  TRP  35           2HZ      TRP  35   1.253   4.860   4.032
  268    HZ3  TRP  35           3HZ      TRP  35  -2.166   6.278   1.917
  269    HH2  TRP  35           HH       TRP  35  -0.890   6.064   3.976
  270    H    GLU  36           H        GLU  36   1.562   0.823  -3.378
  271    HA   GLU  36           HA       GLU  36   1.038   2.016  -5.963
  272   1HB   GLU  36          2HB       GLU  36   2.695  -0.396  -5.942
  273   2HB   GLU  36          1HB       GLU  36   3.032   1.196  -6.607
  274   1HG   GLU  36          2HG       GLU  36   4.365   1.679  -4.911
  275   2HG   GLU  36          1HG       GLU  36   3.104   1.304  -3.737
  276    H    ASP  37           H        ASP  37  -0.535   1.358  -7.202
  277    HA   ASP  37           HA       ASP  37  -2.139  -0.899  -6.674
  278   1HB   ASP  37          2HB       ASP  37  -2.801   1.222  -7.915
  279   2HB   ASP  37          1HB       ASP  37  -1.975   0.559  -9.316
  280    HA   PRO  38           HA       PRO  38   0.598  -3.977  -8.383
  281   1HB   PRO  38          2HB       PRO  38  -1.228  -6.034  -8.200
  282   2HB   PRO  38          1HB       PRO  38  -0.181  -5.499  -6.882
  283   1HG   PRO  38          2HG       PRO  38  -3.052  -4.867  -7.402
  284   2HG   PRO  38          1HG       PRO  38  -2.227  -5.171  -5.864
  285   1HD   PRO  38          2HD       PRO  38  -2.877  -2.685  -6.684
  286   2HD   PRO  38          1HD       PRO  38  -1.423  -3.015  -5.721
  287    H    ARG  39           H        ARG  39  -2.500  -3.024  -9.638
  288    HA   ARG  39           HA       ARG  39  -2.277  -4.690 -11.998
  289   1HB   ARG  39          2HB       ARG  39  -4.170  -2.393 -11.497
  290   2HB   ARG  39          1HB       ARG  39  -4.319  -3.635 -12.730
  291   1HG   ARG  39          2HG       ARG  39  -4.859  -5.286 -11.166
  292   2HG   ARG  39          1HG       ARG  39  -4.283  -4.311  -9.813
  293   1HD   ARG  39          2HD       ARG  39  -6.732  -3.849 -11.494
  294   2HD   ARG  39          1HD       ARG  39  -6.669  -4.281  -9.786
  295    HE   ARG  39           HE       ARG  39  -5.411  -1.995  -9.649
  296   1HH1  ARG  39          2HH1      ARG  39  -8.107  -2.766 -11.747
  297   2HH1  ARG  39          1HH1      ARG  39  -8.789  -1.168 -11.677
  298   1HH2  ARG  39          2HH2      ARG  39  -6.271   0.110  -9.581
  299   2HH2  ARG  39          1HH2      ARG  39  -7.733   0.478 -10.461
  300    H    LEU  40           H        LEU  40  -1.236  -1.588 -10.982
  301    HA   LEU  40           HA       LEU  40  -0.883  -0.513 -13.637
  302   1HB   LEU  40          2HB       LEU  40   0.069   0.375 -10.916
  303   2HB   LEU  40          1HB       LEU  40   0.494   1.221 -12.390
  304    HG   LEU  40           HG       LEU  40  -2.337   0.803 -11.426
  305   1HD1  LEU  40          1HD1      LEU  40  -1.936   2.441  -9.985
  306   2HD1  LEU  40          2HD1      LEU  40  -0.315   2.700 -10.632
  307   3HD1  LEU  40          3HD1      LEU  40  -1.700   3.507 -11.369
  308   1HD2  LEU  40          1HD2      LEU  40  -1.884   2.984 -13.242
  309   2HD2  LEU  40          2HD2      LEU  40  -1.341   1.460 -13.944
  310   3HD2  LEU  40          3HD2      LEU  40  -3.000   1.624 -13.372
  311    H    LYS  41           H        LYS  41   1.034  -2.104 -11.186
  312    HA   LYS  41           HA       LYS  41   2.968  -3.269 -11.257
  313   1HB   LYS  41          2HB       LYS  41   2.193  -3.210 -14.128
  314   2HB   LYS  41          1HB       LYS  41   3.831  -3.716 -13.732
  315   1HG   LYS  41          2HG       LYS  41   3.156  -5.662 -12.807
  316   2HG   LYS  41          1HG       LYS  41   1.662  -4.970 -12.173
  317   1HD   LYS  41          2HD       LYS  41   1.669  -4.989 -15.064
  318   2HD   LYS  41          1HD       LYS  41   1.936  -6.606 -14.410
  319   1HE   LYS  41          2HE       LYS  41  -0.323  -4.760 -13.642
  320   2HE   LYS  41          1HE       LYS  41  -0.450  -6.117 -14.764
  321   1HZ   LYS  41          1HZ       LYS  41  -0.102  -6.144 -11.844
  322   2HZ   LYS  41          2HZ       LYS  41   0.471  -7.455 -12.759
  323   3HZ   LYS  41          3HZ       LYS  41  -1.173  -7.043 -12.802
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1 -20.827  11.127  -6.898
    2   2H    GLY   1          2H        GLY   1 -20.695  12.114  -8.267
    3   3H    GLY   1          3H        GLY   1 -19.477  12.132  -7.090
    4   1HA   GLY   1          2HA       GLY   1 -19.821  10.385  -9.316
    5   2HA   GLY   1          1HA       GLY   1 -18.398  10.652  -8.318
    6    H    SER   2           H        SER   2 -20.800   8.468  -9.167
    7    HA   SER   2           HA       SER   2 -20.108   6.791  -6.849
    8   1HB   SER   2          2HB       SER   2 -22.643   5.989  -7.858
    9   2HB   SER   2          1HB       SER   2 -22.262   6.668  -6.276
   10    HG   SER   2           HG       SER   2 -23.293   8.376  -6.888
   11    HA   PRO   3           HA       PRO   3 -19.070   4.411 -10.709
   12   1HB   PRO   3          2HB       PRO   3 -16.654   3.540  -9.753
   13   2HB   PRO   3          1HB       PRO   3 -16.851   4.994 -10.737
   14   1HG   PRO   3          2HG       PRO   3 -16.527   4.726  -7.786
   15   2HG   PRO   3          1HG       PRO   3 -15.871   5.958  -8.877
   16   1HD   PRO   3          2HD       PRO   3 -18.029   6.379  -7.276
   17   2HD   PRO   3          1HD       PRO   3 -17.804   7.198  -8.834
   18    H    GLY   4           H        GLY   4 -18.166   3.644  -7.357
   19   1HA   GLY   4          1HA       GLY   4 -19.636   1.938  -6.262
   20   2HA   GLY   4          2HA       GLY   4 -19.370   0.977  -7.712
   21    H    ILE   5           H        ILE   5 -18.670  -0.507  -5.877
   22    HA   ILE   5           HA       ILE   5 -15.818  -0.044  -5.290
   23    HB   ILE   5           HB       ILE   5 -17.476  -2.050  -3.795
   24   1HG1  ILE   5          2HG1      ILE   5 -17.200   0.864  -3.017
   25   2HG1  ILE   5          1HG1      ILE   5 -18.650   0.167  -3.728
   26   1HG2  ILE   5          1HG2      ILE   5 -14.981  -1.970  -3.618
   27   2HG2  ILE   5          2HG2      ILE   5 -15.144  -0.372  -2.891
   28   3HG2  ILE   5          3HG2      ILE   5 -15.837  -1.782  -2.087
   29   1HD1  ILE   5          1HD1      ILE   5 -18.804  -1.368  -1.796
   30   2HD1  ILE   5          2HD1      ILE   5 -17.428  -0.534  -1.074
   31   3HD1  ILE   5          3HD1      ILE   5 -18.935   0.336  -1.360
   32    H    GLN   6           H        GLN   6 -15.814  -0.827  -7.631
   33    HA   GLN   6           HA       GLN   6 -16.290  -3.621  -8.080
   34   1HB   GLN   6          2HB       GLN   6 -15.040  -1.448  -9.756
   35   2HB   GLN   6          1HB       GLN   6 -15.151  -3.117 -10.297
   36   1HG   GLN   6          2HG       GLN   6 -17.096  -2.499 -11.183
   37   2HG   GLN   6          1HG       GLN   6 -17.713  -2.601  -9.534
   38   1HE2  GLN   6          1HE2      GLN   6 -19.243  -1.033  -9.813
   39   2HE2  GLN   6          2HE2      GLN   6 -18.854   0.643 -10.005
   40    H    SER   7           H        SER   7 -14.821  -5.230  -8.213
   41    HA   SER   7           HA       SER   7 -12.336  -4.862  -6.857
   42   1HB   SER   7          2HB       SER   7 -12.964  -7.339  -8.405
   43   2HB   SER   7          1HB       SER   7 -12.160  -7.166  -6.847
   44    HG   SER   7           HG       SER   7 -14.802  -7.515  -7.408
   45    H    PHE   8           H        PHE   8 -11.330  -3.339  -8.182
   46    HA   PHE   8           HA       PHE   8 -10.501  -4.012 -10.857
   47   1HB   PHE   8          2HB       PHE   8 -10.295  -1.701  -9.068
   48   2HB   PHE   8          1HB       PHE   8  -8.832  -1.974 -10.010
   49    HD1  PHE   8           1HD      PHE   8  -8.687  -0.928 -12.043
   50    HD2  PHE   8           2HD      PHE   8 -12.532  -1.939 -10.525
   51    HE1  PHE   8           1HE      PHE   8  -9.737   0.130 -14.003
   52    HE2  PHE   8           2HE      PHE   8 -13.589  -0.876 -12.475
   53    HZ   PHE   8           HZ       PHE   8 -12.190   0.159 -14.220
   54    H    LEU   9           H        LEU   9  -9.531  -4.739  -7.739
   55    HA   LEU   9           HA       LEU   9  -6.998  -5.863  -8.707
   56   1HB   LEU   9          2HB       LEU   9  -7.590  -5.515  -5.799
   57   2HB   LEU   9          1HB       LEU   9  -6.040  -5.551  -6.618
   58    HG   LEU   9           HG       LEU   9  -7.337  -3.275  -7.594
   59   1HD1  LEU   9          1HD1      LEU   9  -7.860  -3.772  -4.699
   60   2HD1  LEU   9          2HD1      LEU   9  -7.612  -2.128  -5.292
   61   3HD1  LEU   9          3HD1      LEU   9  -8.933  -3.108  -5.931
   62   1HD2  LEU   9          1HD2      LEU   9  -5.537  -2.606  -5.504
   63   2HD2  LEU   9          2HD2      LEU   9  -4.929  -4.043  -6.328
   64   3HD2  LEU   9          3HD2      LEU   9  -5.265  -2.575  -7.247
   65    HA   PRO  10           HA       PRO  10  -8.495  -9.891  -7.790
   66   1HB   PRO  10          2HB       PRO  10  -6.318 -10.606  -5.962
   67   2HB   PRO  10          1HB       PRO  10  -6.646 -11.198  -7.594
   68   1HG   PRO  10          2HG       PRO  10  -4.547  -9.600  -7.051
   69   2HG   PRO  10          1HG       PRO  10  -5.423  -9.514  -8.590
   70   1HD   PRO  10          2HD       PRO  10  -5.680  -7.752  -6.173
   71   2HD   PRO  10          1HD       PRO  10  -5.590  -7.290  -7.879
   72    HA   PRO  11           HA       PRO  11 -11.056  -9.993  -4.162
   73   1HB   PRO  11          2HB       PRO  11 -10.289 -12.889  -4.220
   74   2HB   PRO  11          1HB       PRO  11 -11.884 -12.156  -4.004
   75   1HG   PRO  11          2HG       PRO  11 -11.191 -13.169  -6.363
   76   2HG   PRO  11          1HG       PRO  11 -12.107 -11.653  -6.264
   77   1HD   PRO  11          2HD       PRO  11  -9.247 -12.093  -6.939
   78   2HD   PRO  11          1HD       PRO  11 -10.357 -10.822  -7.486
   79    H    GLY  12           H        GLY  12 -10.512  -9.408  -2.187
   80   1HA   GLY  12          1HA       GLY  12  -9.481  -9.995  -0.053
   81   2HA   GLY  12          2HA       GLY  12  -8.107 -10.617  -0.962
   82    H    TRP  13           H        TRP  13  -8.137  -8.375  -2.851
   83    HA   TRP  13           HA       TRP  13  -6.599  -6.513  -1.283
   84   1HB   TRP  13          2HB       TRP  13  -7.264  -6.785  -4.197
   85   2HB   TRP  13          1HB       TRP  13  -6.556  -5.293  -3.588
   86    HD1  TRP  13           HD       TRP  13  -5.713  -8.912  -4.349
   87    HE1  TRP  13           1HE      TRP  13  -3.172  -9.253  -4.130
   88    HE3  TRP  13           3HE      TRP  13  -4.461  -4.382  -2.357
   89    HZ2  TRP  13           2HZ      TRP  13  -0.937  -7.786  -3.236
   90    HZ3  TRP  13           3HZ      TRP  13  -2.099  -3.925  -1.855
   91    HH2  TRP  13           HH       TRP  13  -0.371  -5.595  -2.289
   92    H    GLU  14           H        GLU  14  -7.363  -4.771  -0.301
   93    HA   GLU  14           HA       GLU  14  -9.987  -3.750  -1.173
   94   1HB   GLU  14          2HB       GLU  14  -9.606  -4.974   1.148
   95   2HB   GLU  14          1HB       GLU  14  -9.047  -3.378   1.628
   96   1HG   GLU  14          2HG       GLU  14 -11.106  -2.451   1.473
   97   2HG   GLU  14          1HG       GLU  14 -11.632  -3.560   0.204
   98    H    MET  15           H        MET  15  -9.783  -1.804  -2.089
   99    HA   MET  15           HA       MET  15  -7.554  -0.104  -1.429
  100   1HB   MET  15          2HB       MET  15  -8.243   1.346  -3.150
  101   2HB   MET  15          1HB       MET  15  -8.582  -0.271  -3.751
  102   1HG   MET  15          2HG       MET  15 -10.617   0.422  -4.216
  103   2HG   MET  15          1HG       MET  15 -10.924   0.537  -2.483
  104   1HE   MET  15          1HE       MET  15 -12.411   3.319  -2.199
  105   2HE   MET  15          2HE       MET  15 -12.692   3.455  -3.935
  106   3HE   MET  15          3HE       MET  15 -12.719   1.872  -3.157
  107    H    ARG  16           H        ARG  16  -7.516   1.602  -0.174
  108    HA   ARG  16           HA       ARG  16 -10.008   2.713   0.880
  109   1HB   ARG  16          2HB       ARG  16  -8.139   1.128   2.359
  110   2HB   ARG  16          1HB       ARG  16  -8.076   2.763   2.964
  111   1HG   ARG  16          2HG       ARG  16 -10.237   2.714   3.725
  112   2HG   ARG  16          1HG       ARG  16 -10.712   1.446   2.591
  113   1HD   ARG  16          2HD       ARG  16  -8.620   0.494   4.305
  114   2HD   ARG  16          1HD       ARG  16  -9.937   1.142   5.274
  115    HE   ARG  16           HE       ARG  16  -9.952  -1.243   3.740
  116   1HH1  ARG  16          2HH1      ARG  16 -12.012   1.359   4.872
  117   2HH1  ARG  16          1HH1      ARG  16 -13.451   0.380   4.855
  118   1HH2  ARG  16          2HH2      ARG  16 -11.868  -2.543   3.767
  119   2HH2  ARG  16          1HH2      ARG  16 -13.374  -1.796   4.227
  120    H    ILE  17           H        ILE  17  -9.663   4.913   1.712
  121    HA   ILE  17           HA       ILE  17  -7.371   6.117   0.314
  122    HB   ILE  17           HB       ILE  17  -9.606   7.876   1.135
  123   1HG1  ILE  17          2HG1      ILE  17 -10.641   5.739   0.140
  124   2HG1  ILE  17          1HG1      ILE  17 -11.090   7.269  -0.604
  125   1HG2  ILE  17          1HG2      ILE  17  -7.576   8.682  -0.004
  126   2HG2  ILE  17          2HG2      ILE  17  -7.981   7.672  -1.394
  127   3HG2  ILE  17          3HG2      ILE  17  -9.043   9.002  -0.928
  128   1HD1  ILE  17          1HD1      ILE  17  -8.948   5.440  -1.676
  129   2HD1  ILE  17          2HD1      ILE  17 -10.626   5.433  -2.221
  130   3HD1  ILE  17          3HD1      ILE  17  -9.627   6.868  -2.457
  131    H    ALA  18           H        ALA  18  -5.793   6.643   1.600
  132    HA   ALA  18           HA       ALA  18  -6.216   7.088   4.414
  133   1HB   ALA  18          1HB       ALA  18  -3.599   7.623   3.099
  134   2HB   ALA  18          2HB       ALA  18  -3.949   6.850   4.643
  135   3HB   ALA  18          3HB       ALA  18  -4.198   5.965   3.137
  136    HA   PRO  19           HA       PRO  19  -6.865  11.368   4.567
  137   1HB   PRO  19          2HB       PRO  19  -4.787  11.567   6.676
  138   2HB   PRO  19          1HB       PRO  19  -6.500  12.001   6.732
  139   1HG   PRO  19          2HG       PRO  19  -5.643   9.813   7.961
  140   2HG   PRO  19          1HG       PRO  19  -7.179   9.799   7.072
  141   1HD   PRO  19          2HD       PRO  19  -4.502   8.739   6.242
  142   2HD   PRO  19          1HD       PRO  19  -6.109   8.004   6.060
  143    H    ASN  20           H        ASN  20  -3.732  10.294   3.729
  144    HA   ASN  20           HA       ASN  20  -2.651  12.963   3.379
  145   1HB   ASN  20          2HB       ASN  20  -1.111  11.063   1.903
  146   2HB   ASN  20          1HB       ASN  20  -0.669  11.928   3.365
  147   1HD2  ASN  20          1HD2      ASN  20   0.263  10.498   4.632
  148   2HD2  ASN  20          2HD2      ASN  20  -0.393   8.957   5.077
  149    H    GLY  21           H        GLY  21  -4.753  10.967   1.726
  150   1HA   GLY  21          1HA       GLY  21  -5.945  11.777  -0.165
  151   2HA   GLY  21          2HA       GLY  21  -4.521  12.691  -0.640
  152    H    ARG  22           H        ARG  22  -3.773   9.582   0.381
  153    HA   ARG  22           HA       ARG  22  -3.423   8.757  -2.414
  154   1HB   ARG  22          2HB       ARG  22  -1.894   7.130  -0.646
  155   2HB   ARG  22          1HB       ARG  22  -1.328   8.221  -1.899
  156   1HG   ARG  22          2HG       ARG  22  -1.922   9.942   0.130
  157   2HG   ARG  22          1HG       ARG  22  -1.331   8.523   0.999
  158   1HD   ARG  22          2HD       ARG  22   0.703   9.359   0.591
  159   2HD   ARG  22          1HD       ARG  22   0.467   8.728  -1.039
  160    HE   ARG  22           HE       ARG  22  -0.473  11.022  -1.539
  161   1HH1  ARG  22          2HH1      ARG  22   2.011  10.440   0.861
  162   2HH1  ARG  22          1HH1      ARG  22   2.645  12.062   0.786
  163   1HH2  ARG  22          2HH2      ARG  22   0.337  13.148  -1.640
  164   2HH2  ARG  22          1HH2      ARG  22   1.697  13.602  -0.645
  165    HA   PRO  23           HA       PRO  23  -6.346   5.374  -1.543
  166   1HB   PRO  23          2HB       PRO  23  -5.324   4.781  -4.277
  167   2HB   PRO  23          1HB       PRO  23  -6.982   4.754  -3.676
  168   1HG   PRO  23          2HG       PRO  23  -6.135   6.749  -5.224
  169   2HG   PRO  23          1HG       PRO  23  -7.213   7.066  -3.852
  170   1HD   PRO  23          2HD       PRO  23  -4.270   7.539  -4.098
  171   2HD   PRO  23          1HD       PRO  23  -5.508   8.511  -3.273
  172    H    PHE  24           H        PHE  24  -5.568   3.713  -0.406
  173    HA   PHE  24           HA       PHE  24  -3.121   2.420  -1.383
  174   1HB   PHE  24          2HB       PHE  24  -2.342   2.007   0.813
  175   2HB   PHE  24          1HB       PHE  24  -2.809   3.697   0.790
  176    HD1  PHE  24           1HD      PHE  24  -3.533   0.387   2.161
  177    HD2  PHE  24           2HD      PHE  24  -4.722   4.472   2.034
  178    HE1  PHE  24           1HE      PHE  24  -4.924   0.038   4.153
  179    HE2  PHE  24           2HE      PHE  24  -6.122   4.127   4.026
  180    HZ   PHE  24           HZ       PHE  24  -6.226   1.906   5.087
  181    H    PHE  25           H        PHE  25  -3.046   0.202  -1.263
  182    HA   PHE  25           HA       PHE  25  -5.698  -1.028  -1.022
  183   1HB   PHE  25          2HB       PHE  25  -3.396  -2.091  -2.655
  184   2HB   PHE  25          1HB       PHE  25  -5.094  -2.556  -2.741
  185    HD1  PHE  25           1HD      PHE  25  -2.566  -0.307  -3.938
  186    HD2  PHE  25           2HD      PHE  25  -6.761  -0.911  -3.612
  187    HE1  PHE  25           1HE      PHE  25  -2.942   1.370  -5.696
  188    HE2  PHE  25           2HE      PHE  25  -7.150   0.768  -5.366
  189    HZ   PHE  25           HZ       PHE  25  -5.234   1.902  -6.418
  190    H    ILE  26           H        ILE  26  -5.938  -2.117   0.712
  191    HA   ILE  26           HA       ILE  26  -3.596  -3.323   1.944
  192    HB   ILE  26           HB       ILE  26  -5.023  -1.789   3.276
  193   1HG1  ILE  26          2HG1      ILE  26  -3.608  -3.843   4.056
  194   2HG1  ILE  26          1HG1      ILE  26  -4.537  -2.892   5.206
  195   1HG2  ILE  26          1HG2      ILE  26  -7.175  -3.076   2.253
  196   2HG2  ILE  26          2HG2      ILE  26  -7.071  -3.779   3.867
  197   3HG2  ILE  26          3HG2      ILE  26  -7.196  -2.027   3.674
  198   1HD1  ILE  26          1HD1      ILE  26  -5.552  -4.742   5.864
  199   2HD1  ILE  26          2HD1      ILE  26  -6.219  -4.948   4.243
  200   3HD1  ILE  26          3HD1      ILE  26  -4.666  -5.674   4.657
  201    H    ASP  27           H        ASP  27  -3.167  -5.273   1.378
  202    HA   ASP  27           HA       ASP  27  -5.119  -7.027   0.207
  203   1HB   ASP  27          2HB       ASP  27  -2.930  -7.149  -0.710
  204   2HB   ASP  27          1HB       ASP  27  -2.196  -7.330   0.882
  205    H    HIS  28           H        HIS  28  -6.418  -8.314   1.294
  206    HA   HIS  28           HA       HIS  28  -5.976  -8.704   4.138
  207   1HB   HIS  28          2HB       HIS  28  -8.292  -9.289   2.301
  208   2HB   HIS  28          1HB       HIS  28  -8.261  -9.846   3.970
  209    HD1  HIS  28           1HD      HIS  28  -7.662  -7.670   5.703
  210    HD2  HIS  28           2HD      HIS  28  -9.578  -6.924   2.083
  211    HE1  HIS  28           1HE      HIS  28  -8.815  -5.451   5.985
  212    HE2  HIS  28           2HE      HIS  28 -10.164  -5.146   3.876
  213    H    ASN  29           H        ASN  29  -4.956 -10.272   1.447
  214    HA   ASN  29           HA       ASN  29  -5.421 -12.986   2.329
  215   1HB   ASN  29          2HB       ASN  29  -3.763 -11.860   0.059
  216   2HB   ASN  29          1HB       ASN  29  -4.042 -13.571   0.348
  217   1HD2  ASN  29          1HD2      ASN  29  -5.130 -10.802  -1.185
  218   2HD2  ASN  29          2HD2      ASN  29  -6.665 -11.406  -1.729
  219    H    THR  30           H        THR  30  -2.470 -11.194   1.477
  220    HA   THR  30           HA       THR  30  -0.960 -12.871   3.352
  221    HB   THR  30           HB       THR  30   1.018 -12.222   2.128
  222    HG1  THR  30           1HG      THR  30  -0.743 -10.318   0.958
  223   1HG2  THR  30          1HG2      THR  30  -0.095 -14.028   1.085
  224   2HG2  THR  30          2HG2      THR  30   0.321 -12.916  -0.219
  225   3HG2  THR  30          3HG2      THR  30  -1.332 -12.968   0.402
  226    H    LYS  31           H        LYS  31  -2.486  -9.983   3.302
  227    HA   LYS  31           HA       LYS  31  -2.561  -8.219   4.701
  228   1HB   LYS  31          2HB       LYS  31  -0.617  -9.918   6.246
  229   2HB   LYS  31          1HB       LYS  31  -1.142  -8.340   6.816
  230   1HG   LYS  31          2HG       LYS  31  -2.864  -9.346   7.773
  231   2HG   LYS  31          1HG       LYS  31  -3.489  -9.687   6.159
  232   1HD   LYS  31          2HD       LYS  31  -1.710 -11.682   6.386
  233   2HD   LYS  31          1HD       LYS  31  -2.127 -11.466   8.085
  234   1HE   LYS  31          2HE       LYS  31  -4.306 -12.113   7.772
  235   2HE   LYS  31          1HE       LYS  31  -4.326 -11.600   6.083
  236   1HZ   LYS  31          1HZ       LYS  31  -4.182 -14.138   6.833
  237   2HZ   LYS  31          2HZ       LYS  31  -2.527 -13.789   6.747
  238   3HZ   LYS  31          3HZ       LYS  31  -3.514 -13.569   5.384
  239    H    THR  32           H        THR  32  -1.616  -7.131   2.825
  240    HA   THR  32           HA       THR  32   0.911  -5.839   3.608
  241    HB   THR  32           HB       THR  32   0.522  -5.606   0.784
  242    HG1  THR  32           1HG      THR  32   0.762  -8.319   1.636
  243   1HG2  THR  32          1HG2      THR  32   2.628  -5.433   2.162
  244   2HG2  THR  32          2HG2      THR  32   2.764  -6.371   0.675
  245   3HG2  THR  32          3HG2      THR  32   2.629  -7.195   2.229
  246    H    THR  33           H        THR  33   0.958  -3.617   3.423
  247    HA   THR  33           HA       THR  33  -1.516  -2.331   2.450
  248    HB   THR  33           HB       THR  33  -0.178  -0.443   4.001
  249    HG1  THR  33           1HG      THR  33  -0.376  -2.455   5.856
  250   1HG2  THR  33          1HG2      THR  33  -2.398  -2.283   4.899
  251   2HG2  THR  33          2HG2      THR  33  -2.619  -0.878   3.855
  252   3HG2  THR  33          3HG2      THR  33  -2.048  -0.664   5.510
  253    H    THR  34           H        THR  34  -0.928  -1.967   0.363
  254    HA   THR  34           HA       THR  34   1.583  -0.498  -0.094
  255    HB   THR  34           HB       THR  34   1.085  -2.907  -1.086
  256    HG1  THR  34           1HG      THR  34   2.370  -0.705  -2.336
  257   1HG2  THR  34          1HG2      THR  34  -0.110  -1.115  -3.195
  258   2HG2  THR  34          2HG2      THR  34  -1.014  -2.241  -2.180
  259   3HG2  THR  34          3HG2      THR  34   0.180  -2.852  -3.329
  260    H    TRP  35           H        TRP  35   1.548   1.238  -1.608
  261    HA   TRP  35           HA       TRP  35  -1.122   2.429  -1.937
  262   1HB   TRP  35          2HB       TRP  35   1.458   3.864  -2.515
  263   2HB   TRP  35          1HB       TRP  35  -0.102   4.539  -2.062
  264    HD1  TRP  35           HD       TRP  35   2.937   2.767  -0.522
  265    HE1  TRP  35           1HE      TRP  35   2.999   3.296   1.993
  266    HE3  TRP  35           3HE      TRP  35  -1.505   5.258  -0.127
  267    HZ2  TRP  35           2HZ      TRP  35   1.364   4.628   3.895
  268    HZ3  TRP  35           3HZ      TRP  35  -2.183   6.134   2.062
  269    HH2  TRP  35           HH       TRP  35  -0.780   5.823   4.028
  270    H    GLU  36           H        GLU  36   1.754   1.441  -3.621
  271    HA   GLU  36           HA       GLU  36   0.911   2.337  -6.210
  272   1HB   GLU  36          2HB       GLU  36   2.913   0.190  -6.114
  273   2HB   GLU  36          1HB       GLU  36   3.012   1.785  -6.848
  274   1HG   GLU  36          2HG       GLU  36   4.637   1.926  -5.233
  275   2HG   GLU  36          1HG       GLU  36   3.248   2.605  -4.382
  276    H    ASP  37           H        ASP  37  -0.740   1.410  -7.252
  277    HA   ASP  37           HA       ASP  37  -1.941  -0.943  -6.437
  278   1HB   ASP  37          2HB       ASP  37  -2.747  -0.557  -9.057
  279   2HB   ASP  37          1HB       ASP  37  -3.551   0.016  -7.624
  280    HA   PRO  38           HA       PRO  38   0.560  -4.007  -8.465
  281   1HB   PRO  38          2HB       PRO  38  -1.126  -6.096  -7.986
  282   2HB   PRO  38          1HB       PRO  38  -0.014  -5.443  -6.780
  283   1HG   PRO  38          2HG       PRO  38  -2.944  -4.954  -7.118
  284   2HG   PRO  38          1HG       PRO  38  -2.009  -5.188  -5.630
  285   1HD   PRO  38          2HD       PRO  38  -2.802  -2.746  -6.499
  286   2HD   PRO  38          1HD       PRO  38  -1.303  -3.001  -5.582
  287    H    ARG  39           H        ARG  39  -2.167  -2.592  -9.562
  288    HA   ARG  39           HA       ARG  39  -2.573  -4.386 -11.828
  289   1HB   ARG  39          2HB       ARG  39  -3.930  -1.769 -11.856
  290   2HB   ARG  39          1HB       ARG  39  -4.572  -3.371 -12.168
  291   1HG   ARG  39          2HG       ARG  39  -5.011  -3.770  -9.916
  292   2HG   ARG  39          1HG       ARG  39  -3.933  -2.478  -9.384
  293   1HD   ARG  39          2HD       ARG  39  -6.407  -1.950 -11.008
  294   2HD   ARG  39          1HD       ARG  39  -6.434  -2.020  -9.246
  295    HE   ARG  39           HE       ARG  39  -4.429  -0.232 -10.225
  296   1HH1  ARG  39          2HH1      ARG  39  -7.875  -0.489  -9.652
  297   2HH1  ARG  39          1HH1      ARG  39  -8.091   1.215  -9.390
  298   1HH2  ARG  39          2HH2      ARG  39  -4.700   2.002  -9.848
  299   2HH2  ARG  39          1HH2      ARG  39  -6.287   2.623  -9.464
  300    H    LEU  40           H        LEU  40  -0.647  -1.842 -10.871
  301    HA   LEU  40           HA       LEU  40  -0.011  -1.169 -13.657
  302   1HB   LEU  40          2HB       LEU  40   0.646   0.967 -13.000
  303   2HB   LEU  40          1HB       LEU  40  -0.765   0.638 -12.037
  304    HG   LEU  40           HG       LEU  40   0.941  -0.032 -10.183
  305   1HD1  LEU  40          1HD1      LEU  40   3.078   0.192 -10.858
  306   2HD1  LEU  40          2HD1      LEU  40   2.631   1.170 -12.257
  307   3HD1  LEU  40          3HD1      LEU  40   2.807   1.925 -10.674
  308   1HD2  LEU  40          1HD2      LEU  40  -0.381   1.722  -9.605
  309   2HD2  LEU  40          2HD2      LEU  40   1.154   2.576  -9.773
  310   3HD2  LEU  40          3HD2      LEU  40  -0.029   2.623 -11.079
  311    H    LYS  41           H        LYS  41   1.379  -1.728 -10.485
  312    HA   LYS  41           HA       LYS  41   3.896  -2.521 -11.748
  313   1HB   LYS  41          2HB       LYS  41   4.821  -2.566  -9.453
  314   2HB   LYS  41          1HB       LYS  41   4.158  -1.002  -9.891
  315   1HG   LYS  41          2HG       LYS  41   2.439  -1.155  -8.389
  316   2HG   LYS  41          1HG       LYS  41   2.432  -2.919  -8.411
  317   1HD   LYS  41          2HD       LYS  41   4.844  -2.573  -7.368
  318   2HD   LYS  41          1HD       LYS  41   4.133  -1.040  -6.857
  319   1HE   LYS  41          2HE       LYS  41   2.271  -2.279  -5.825
  320   2HE   LYS  41          1HE       LYS  41   3.045  -3.794  -6.288
  321   1HZ   LYS  41          1HZ       LYS  41   4.122  -1.756  -4.408
  322   2HZ   LYS  41          2HZ       LYS  41   4.976  -3.130  -4.927
  323   3HZ   LYS  41          3HZ       LYS  41   3.557  -3.308  -4.014
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1 -14.095  -6.258 -17.386
    2   2H    GLY   1          2H        GLY   1 -13.436  -7.817 -17.290
    3   3H    GLY   1          3H        GLY   1 -12.718  -6.654 -18.297
    4   1HA   GLY   1          2HA       GLY   1 -12.015  -5.359 -16.440
    5   2HA   GLY   1          1HA       GLY   1 -12.910  -6.408 -15.347
    6    H    SER   2           H        SER   2 -10.476  -6.198 -14.572
    7    HA   SER   2           HA       SER   2  -8.651  -7.961 -15.896
    8   1HB   SER   2          2HB       SER   2  -7.994  -7.309 -13.125
    9   2HB   SER   2          1HB       SER   2  -7.098  -6.977 -14.606
   10    HG   SER   2           HG       SER   2  -8.832  -5.286 -14.912
   11    HA   PRO   3           HA       PRO   3  -9.808 -11.080 -12.543
   12   1HB   PRO   3          2HB       PRO   3 -11.475 -10.238 -10.472
   13   2HB   PRO   3          1HB       PRO   3  -9.713 -10.299 -10.411
   14   1HG   PRO   3          2HG       PRO   3 -11.366  -7.990 -10.357
   15   2HG   PRO   3          1HG       PRO   3  -9.599  -8.045 -10.423
   16   1HD   PRO   3          2HD       PRO   3 -11.563  -7.616 -12.603
   17   2HD   PRO   3          1HD       PRO   3  -9.882  -7.059 -12.467
   18    H    GLY   4           H        GLY   4 -12.517 -11.005 -10.999
   19   1HA   GLY   4          1HA       GLY   4 -14.153 -11.747 -13.335
   20   2HA   GLY   4          2HA       GLY   4 -14.339 -12.415 -11.717
   21    H    ILE   5           H        ILE   5 -16.388 -11.252 -13.326
   22    HA   ILE   5           HA       ILE   5 -18.037  -9.688 -13.364
   23    HB   ILE   5           HB       ILE   5 -17.587  -9.251 -10.423
   24   1HG1  ILE   5          2HG1      ILE   5 -19.327 -11.504 -11.174
   25   2HG1  ILE   5          1HG1      ILE   5 -17.614 -11.779 -11.477
   26   1HG2  ILE   5          1HG2      ILE   5 -19.371  -8.005 -11.602
   27   2HG2  ILE   5          2HG2      ILE   5 -20.108  -9.543 -12.052
   28   3HG2  ILE   5          3HG2      ILE   5 -19.995  -9.085 -10.354
   29   1HD1  ILE   5          1HD1      ILE   5 -18.895 -11.063  -8.854
   30   2HD1  ILE   5          2HD1      ILE   5 -18.173 -12.608  -9.305
   31   3HD1  ILE   5          3HD1      ILE   5 -17.157 -11.179  -9.123
   32    H    GLN   6           H        GLN   6 -16.247  -8.446 -14.514
   33    HA   GLN   6           HA       GLN   6 -15.088  -6.561 -14.980
   34   1HB   GLN   6          2HB       GLN   6 -17.383  -5.579 -13.336
   35   2HB   GLN   6          1HB       GLN   6 -16.127  -4.449 -13.814
   36   1HG   GLN   6          2HG       GLN   6 -17.706  -6.156 -15.722
   37   2HG   GLN   6          1HG       GLN   6 -18.070  -4.475 -15.334
   38   1HE2  GLN   6          1HE2      GLN   6 -17.054  -2.908 -16.427
   39   2HE2  GLN   6          2HE2      GLN   6 -15.772  -3.172 -17.571
   40    H    SER   7           H        SER   7 -15.731  -4.933 -12.034
   41    HA   SER   7           HA       SER   7 -14.459  -4.275 -10.288
   42   1HB   SER   7          2HB       SER   7 -13.105  -6.964 -10.574
   43   2HB   SER   7          1HB       SER   7 -13.187  -5.966  -9.122
   44    HG   SER   7           HG       SER   7 -15.350  -7.237 -10.461
   45    H    PHE   8           H        PHE   8 -11.866  -4.585  -9.537
   46    HA   PHE   8           HA       PHE   8 -10.260  -3.748 -11.851
   47   1HB   PHE   8          2HB       PHE   8 -10.352  -2.393  -9.143
   48   2HB   PHE   8          1HB       PHE   8  -9.186  -2.023 -10.408
   49    HD1  PHE   8           1HD      PHE   8  -9.969  -1.011 -12.537
   50    HD2  PHE   8           2HD      PHE   8 -12.541  -1.505  -9.182
   51    HE1  PHE   8           1HE      PHE   8 -11.536   0.624 -13.500
   52    HE2  PHE   8           2HE      PHE   8 -14.113   0.122 -10.143
   53    HZ   PHE   8           HZ       PHE   8 -13.613   1.190 -12.304
   54    H    LEU   9           H        LEU   9  -9.801  -4.207  -8.344
   55    HA   LEU   9           HA       LEU   9  -7.490  -5.895  -8.929
   56   1HB   LEU   9          2HB       LEU   9  -8.250  -5.332  -6.123
   57   2HB   LEU   9          1HB       LEU   9  -6.668  -5.403  -6.865
   58    HG   LEU   9           HG       LEU   9  -8.085  -3.134  -7.879
   59   1HD1  LEU   9          1HD1      LEU   9  -9.340  -2.713  -6.046
   60   2HD1  LEU   9          2HD1      LEU   9  -8.312  -3.691  -4.998
   61   3HD1  LEU   9          3HD1      LEU   9  -7.815  -2.058  -5.445
   62   1HD2  LEU   9          1HD2      LEU   9  -6.110  -2.002  -7.254
   63   2HD2  LEU   9          2HD2      LEU   9  -5.724  -3.211  -6.028
   64   3HD2  LEU   9          3HD2      LEU   9  -5.605  -3.622  -7.740
   65    HA   PRO  10           HA       PRO  10  -9.423  -9.684  -7.822
   66   1HB   PRO  10          2HB       PRO  10  -7.322 -10.408  -5.918
   67   2HB   PRO  10          1HB       PRO  10  -7.673 -11.104  -7.499
   68   1HG   PRO  10          2HG       PRO  10  -5.463  -9.614  -7.030
   69   2HG   PRO  10          1HG       PRO  10  -6.279  -9.635  -8.605
   70   1HD   PRO  10          2HD       PRO  10  -6.440  -7.596  -6.411
   71   2HD   PRO  10          1HD       PRO  10  -6.333  -7.344  -8.161
   72    HA   PRO  11           HA       PRO  11 -11.869  -9.039  -4.145
   73   1HB   PRO  11          2HB       PRO  11 -12.391 -11.753  -3.699
   74   2HB   PRO  11          1HB       PRO  11 -13.373 -10.650  -4.664
   75   1HG   PRO  11          2HG       PRO  11 -11.333 -12.633  -5.541
   76   2HG   PRO  11          1HG       PRO  11 -12.833 -12.128  -6.340
   77   1HD   PRO  11          2HD       PRO  11 -10.433 -11.284  -7.191
   78   2HD   PRO  11          1HD       PRO  11 -11.859 -10.224  -7.237
   79    H    GLY  12           H        GLY  12 -10.507  -8.382  -2.579
   80   1HA   GLY  12          1HA       GLY  12  -9.771  -9.574  -0.361
   81   2HA   GLY  12          2HA       GLY  12  -8.564 -10.248  -1.451
   82    H    TRP  13           H        TRP  13  -8.487  -7.793  -3.063
   83    HA   TRP  13           HA       TRP  13  -6.668  -6.249  -1.423
   84   1HB   TRP  13          2HB       TRP  13  -7.474  -6.179  -4.318
   85   2HB   TRP  13          1HB       TRP  13  -6.571  -4.845  -3.605
   86    HD1  TRP  13           HD       TRP  13  -6.205  -8.474  -4.682
   87    HE1  TRP  13           1HE      TRP  13  -3.710  -9.089  -4.702
   88    HE3  TRP  13           3HE      TRP  13  -4.312  -4.266  -2.466
   89    HZ2  TRP  13           2HZ      TRP  13  -1.266  -7.951  -3.864
   90    HZ3  TRP  13           3HZ      TRP  13  -1.881  -4.116  -2.112
   91    HH2  TRP  13           HH       TRP  13  -0.392  -5.920  -2.799
   92    H    GLU  14           H        GLU  14  -7.350  -4.675  -0.154
   93    HA   GLU  14           HA       GLU  14  -9.876  -3.329  -0.843
   94   1HB   GLU  14          2HB       GLU  14  -9.274  -4.686   1.437
   95   2HB   GLU  14          1HB       GLU  14  -8.841  -3.044   1.896
   96   1HG   GLU  14          2HG       GLU  14 -10.981  -2.334   1.886
   97   2HG   GLU  14          1HG       GLU  14 -11.440  -3.391   0.550
   98    H    MET  15           H        MET  15  -9.287  -1.544  -1.952
   99    HA   MET  15           HA       MET  15  -7.033   0.041  -1.086
  100   1HB   MET  15          2HB       MET  15  -7.788   1.601  -2.930
  101   2HB   MET  15          1HB       MET  15  -7.299  -0.011  -3.429
  102   1HG   MET  15          2HG       MET  15  -9.492  -0.665  -3.874
  103   2HG   MET  15          1HG       MET  15 -10.172   0.683  -2.959
  104   1HE   MET  15          1HE       MET  15 -11.072   1.045  -6.854
  105   2HE   MET  15          2HE       MET  15 -10.179  -0.438  -6.519
  106   3HE   MET  15          3HE       MET  15 -11.456   0.090  -5.422
  107    H    ARG  16           H        ARG  16  -7.305   1.086   0.745
  108    HA   ARG  16           HA       ARG  16  -9.778   2.623   1.147
  109   1HB   ARG  16          2HB       ARG  16  -7.682   1.583   3.020
  110   2HB   ARG  16          1HB       ARG  16  -8.652   2.966   3.489
  111   1HG   ARG  16          2HG       ARG  16 -10.166   1.535   4.247
  112   2HG   ARG  16          1HG       ARG  16 -10.495   1.100   2.568
  113   1HD   ARG  16          2HD       ARG  16  -9.990  -0.971   3.369
  114   2HD   ARG  16          1HD       ARG  16  -8.362  -0.435   2.956
  115    HE   ARG  16           HE       ARG  16  -8.137   0.196   5.358
  116   1HH1  ARG  16          2HH1      ARG  16 -10.493  -2.229   4.398
  117   2HH1  ARG  16          1HH1      ARG  16 -10.494  -3.006   5.947
  118   1HH2  ARG  16          2HH2      ARG  16  -8.137  -0.847   7.375
  119   2HH2  ARG  16          1HH2      ARG  16  -9.152  -2.239   7.631
  120    H    ILE  17           H        ILE  17  -9.664   4.833   1.500
  121    HA   ILE  17           HA       ILE  17  -7.355   6.017   0.182
  122    HB   ILE  17           HB       ILE  17  -9.736   7.590   1.092
  123   1HG1  ILE  17          2HG1      ILE  17 -10.674   5.670  -0.089
  124   2HG1  ILE  17          1HG1      ILE  17 -10.828   7.122  -1.072
  125   1HG2  ILE  17          1HG2      ILE  17  -7.409   8.279  -0.192
  126   2HG2  ILE  17          2HG2      ILE  17  -8.568   8.144  -1.515
  127   3HG2  ILE  17          3HG2      ILE  17  -8.895   9.227  -0.164
  128   1HD1  ILE  17          1HD1      ILE  17  -9.189   6.421  -2.569
  129   2HD1  ILE  17          2HD1      ILE  17  -8.536   5.231  -1.442
  130   3HD1  ILE  17          3HD1      ILE  17 -10.099   4.953  -2.212
  131    H    ALA  18           H        ALA  18  -5.694   6.490   1.435
  132    HA   ALA  18           HA       ALA  18  -5.885   7.235   4.168
  133   1HB   ALA  18          1HB       ALA  18  -3.838   6.455   2.547
  134   2HB   ALA  18          2HB       ALA  18  -3.520   8.184   2.701
  135   3HB   ALA  18          3HB       ALA  18  -3.632   7.176   4.143
  136    HA   PRO  19           HA       PRO  19  -7.330  11.351   3.999
  137   1HB   PRO  19          2HB       PRO  19  -5.658  12.508   5.904
  138   2HB   PRO  19          1HB       PRO  19  -7.164  11.649   6.238
  139   1HG   PRO  19          2HG       PRO  19  -4.348  10.661   6.368
  140   2HG   PRO  19          1HG       PRO  19  -5.712  10.311   7.446
  141   1HD   PRO  19          2HD       PRO  19  -4.907   8.534   5.629
  142   2HD   PRO  19          1HD       PRO  19  -6.634   8.764   5.979
  143    H    ASN  20           H        ASN  20  -3.943  10.739   3.530
  144    HA   ASN  20           HA       ASN  20  -3.211  13.385   2.776
  145   1HB   ASN  20          2HB       ASN  20  -1.483  11.550   1.459
  146   2HB   ASN  20          1HB       ASN  20  -1.140  12.550   2.855
  147   1HD2  ASN  20          1HD2      ASN  20   0.117  10.164   2.394
  148   2HD2  ASN  20          2HD2      ASN  20  -0.346   9.018   3.616
  149    H    GLY  21           H        GLY  21  -4.994  10.954   1.232
  150   1HA   GLY  21          1HA       GLY  21  -6.221  11.517  -0.757
  151   2HA   GLY  21          2HA       GLY  21  -4.851  12.490  -1.279
  152    H    ARG  22           H        ARG  22  -3.875   9.599   0.092
  153    HA   ARG  22           HA       ARG  22  -3.409   8.481  -2.582
  154   1HB   ARG  22          2HB       ARG  22  -1.739   7.207  -0.661
  155   2HB   ARG  22          1HB       ARG  22  -1.273   8.180  -2.043
  156   1HG   ARG  22          2HG       ARG  22  -2.106   9.676   0.355
  157   2HG   ARG  22          1HG       ARG  22  -0.612   8.754   0.489
  158   1HD   ARG  22          2HD       ARG  22  -1.061  10.460  -1.912
  159   2HD   ARG  22          1HD       ARG  22  -0.594  11.222  -0.393
  160    HE   ARG  22           HE       ARG  22   1.143   9.067  -0.915
  161   1HH1  ARG  22          2HH1      ARG  22   0.362  12.245  -2.189
  162   2HH1  ARG  22          1HH1      ARG  22   1.980  12.547  -2.754
  163   1HH2  ARG  22          2HH2      ARG  22   3.272   9.474  -1.684
  164   2HH2  ARG  22          1HH2      ARG  22   3.617  10.995  -2.457
  165    HA   PRO  23           HA       PRO  23  -6.202   5.155  -1.204
  166   1HB   PRO  23          2HB       PRO  23  -5.304   4.320  -3.921
  167   2HB   PRO  23          1HB       PRO  23  -6.923   4.297  -3.218
  168   1HG   PRO  23          2HG       PRO  23  -6.248   6.155  -4.993
  169   2HG   PRO  23          1HG       PRO  23  -7.255   6.567  -3.592
  170   1HD   PRO  23          2HD       PRO  23  -4.358   7.121  -4.072
  171   2HD   PRO  23          1HD       PRO  23  -5.579   8.114  -3.248
  172    H    PHE  24           H        PHE  24  -5.288   3.663   0.089
  173    HA   PHE  24           HA       PHE  24  -2.855   2.363  -0.917
  174   1HB   PHE  24          2HB       PHE  24  -2.082   1.967   1.281
  175   2HB   PHE  24          1HB       PHE  24  -2.592   3.644   1.251
  176    HD1  PHE  24           1HD      PHE  24  -4.455   4.398   2.551
  177    HD2  PHE  24           2HD      PHE  24  -3.313   0.295   2.557
  178    HE1  PHE  24           1HE      PHE  24  -5.826   4.021   4.554
  179    HE2  PHE  24           2HE      PHE  24  -4.681  -0.088   4.560
  180    HZ   PHE  24           HZ       PHE  24  -5.944   1.778   5.561
  181    H    PHE  25           H        PHE  25  -2.800   0.244  -1.109
  182    HA   PHE  25           HA       PHE  25  -5.406  -1.069  -0.964
  183   1HB   PHE  25          2HB       PHE  25  -2.961  -1.865  -2.563
  184   2HB   PHE  25          1HB       PHE  25  -4.573  -2.559  -2.695
  185    HD1  PHE  25           1HD      PHE  25  -2.747   0.671  -3.099
  186    HD2  PHE  25           2HD      PHE  25  -6.043  -1.747  -4.273
  187    HE1  PHE  25           1HE      PHE  25  -3.321   2.308  -4.845
  188    HE2  PHE  25           2HE      PHE  25  -6.618  -0.116  -6.022
  189    HZ   PHE  25           HZ       PHE  25  -5.250   1.907  -6.314
  190    H    ILE  26           H        ILE  26  -5.638  -2.082   0.845
  191    HA   ILE  26           HA       ILE  26  -3.374  -3.509   1.959
  192    HB   ILE  26           HB       ILE  26  -4.811  -2.028   3.386
  193   1HG1  ILE  26          2HG1      ILE  26  -3.346  -4.076   4.027
  194   2HG1  ILE  26          1HG1      ILE  26  -4.322  -3.265   5.243
  195   1HG2  ILE  26          1HG2      ILE  26  -6.869  -3.283   4.328
  196   2HG2  ILE  26          2HG2      ILE  26  -7.008  -2.338   2.843
  197   3HG2  ILE  26          3HG2      ILE  26  -6.855  -4.093   2.760
  198   1HD1  ILE  26          1HD1      ILE  26  -4.878  -5.876   3.866
  199   2HD1  ILE  26          2HD1      ILE  26  -4.566  -5.594   5.580
  200   3HD1  ILE  26          3HD1      ILE  26  -6.071  -5.027   4.851
  201    H    ASP  27           H        ASP  27  -3.013  -5.419   1.204
  202    HA   ASP  27           HA       ASP  27  -5.061  -7.008  -0.049
  203   1HB   ASP  27          2HB       ASP  27  -2.917  -7.226  -1.036
  204   2HB   ASP  27          1HB       ASP  27  -2.138  -7.471   0.526
  205    H    HIS  28           H        HIS  28  -6.347  -8.420   0.953
  206    HA   HIS  28           HA       HIS  28  -5.863  -8.902   3.783
  207   1HB   HIS  28          2HB       HIS  28  -8.256  -9.302   1.998
  208   2HB   HIS  28          1HB       HIS  28  -8.196  -9.970   3.627
  209    HD1  HIS  28           1HD      HIS  28  -7.886  -8.158   5.591
  210    HD2  HIS  28           2HD      HIS  28  -9.011  -6.670   1.877
  211    HE1  HIS  28           1HE      HIS  28  -8.692  -5.819   6.014
  212    HE2  HIS  28           2HE      HIS  28  -9.682  -5.091   3.816
  213    H    ASN  29           H        ASN  29  -4.910 -10.370   1.028
  214    HA   ASN  29           HA       ASN  29  -5.383 -13.107   1.837
  215   1HB   ASN  29          2HB       ASN  29  -3.748 -11.913  -0.412
  216   2HB   ASN  29          1HB       ASN  29  -3.949 -13.638  -0.146
  217   1HD2  ASN  29          1HD2      ASN  29  -5.281 -10.789  -1.420
  218   2HD2  ASN  29          2HD2      ASN  29  -6.756 -11.478  -2.028
  219    H    THR  30           H        THR  30  -2.499 -11.052   1.341
  220    HA   THR  30           HA       THR  30  -1.034 -12.842   3.162
  221    HB   THR  30           HB       THR  30   1.008 -11.992   2.197
  222    HG1  THR  30           1HG      THR  30  -0.703 -10.220   0.730
  223   1HG2  THR  30          1HG2      THR  30   0.065 -13.776   0.934
  224   2HG2  THR  30          2HG2      THR  30   0.628 -12.572  -0.227
  225   3HG2  THR  30          3HG2      THR  30  -1.091 -12.696   0.152
  226    H    LYS  31           H        LYS  31  -2.712 -10.044   3.266
  227    HA   LYS  31           HA       LYS  31  -2.868  -8.283   4.664
  228   1HB   LYS  31          2HB       LYS  31  -1.370 -10.275   6.241
  229   2HB   LYS  31          1HB       LYS  31  -1.230  -8.613   6.803
  230   1HG   LYS  31          2HG       LYS  31  -3.363  -8.538   7.513
  231   2HG   LYS  31          1HG       LYS  31  -3.961  -9.500   6.158
  232   1HD   LYS  31          2HD       LYS  31  -2.355 -10.689   8.404
  233   2HD   LYS  31          1HD       LYS  31  -4.114 -10.559   8.460
  234   1HE   LYS  31          2HE       LYS  31  -3.393 -11.668   5.949
  235   2HE   LYS  31          1HE       LYS  31  -2.514 -12.541   7.203
  236   1HZ   LYS  31          1HZ       LYS  31  -4.685 -13.523   6.732
  237   2HZ   LYS  31          2HZ       LYS  31  -5.449 -12.080   7.191
  238   3HZ   LYS  31          3HZ       LYS  31  -4.578 -12.981   8.336
  239    H    THR  32           H        THR  32  -1.605  -7.426   2.703
  240    HA   THR  32           HA       THR  32   0.883  -6.168   3.663
  241    HB   THR  32           HB       THR  32   0.514  -5.720   0.876
  242    HG1  THR  32           1HG      THR  32   0.546  -8.507   1.454
  243   1HG2  THR  32          1HG2      THR  32   2.587  -7.344   0.888
  244   2HG2  THR  32          2HG2      THR  32   2.482  -7.105   2.633
  245   3HG2  THR  32          3HG2      THR  32   2.699  -5.718   1.563
  246    H    THR  33           H        THR  33   1.037  -3.936   3.630
  247    HA   THR  33           HA       THR  33  -1.364  -2.509   2.686
  248    HB   THR  33           HB       THR  33   0.057  -0.780   4.388
  249    HG1  THR  33           1HG      THR  33  -0.034  -3.457   5.329
  250   1HG2  THR  33          1HG2      THR  33  -1.974  -1.223   5.874
  251   2HG2  THR  33          2HG2      THR  33  -2.491  -2.352   4.618
  252   3HG2  THR  33          3HG2      THR  33  -2.280  -0.642   4.236
  253    H    THR  34           H        THR  34  -0.797  -1.988   0.676
  254    HA   THR  34           HA       THR  34   1.757  -0.585   0.294
  255    HB   THR  34           HB       THR  34   1.307  -3.034  -0.651
  256    HG1  THR  34           1HG      THR  34   2.694  -0.896  -1.910
  257   1HG2  THR  34          1HG2      THR  34   0.224  -1.268  -2.844
  258   2HG2  THR  34          2HG2      THR  34  -0.682  -2.472  -1.923
  259   3HG2  THR  34          3HG2      THR  34   0.618  -2.981  -3.003
  260    H    TRP  35           H        TRP  35   1.709   1.254  -1.031
  261    HA   TRP  35           HA       TRP  35  -0.964   2.313  -1.596
  262   1HB   TRP  35          2HB       TRP  35   1.539   3.849  -2.192
  263   2HB   TRP  35          1HB       TRP  35  -0.035   4.442  -1.679
  264    HD1  TRP  35           HD       TRP  35   3.111   2.754  -0.244
  265    HE1  TRP  35           1HE      TRP  35   3.258   3.338   2.255
  266    HE3  TRP  35           3HE      TRP  35  -1.344   5.203   0.274
  267    HZ2  TRP  35           2HZ      TRP  35   1.673   4.677   4.199
  268    HZ3  TRP  35           3HZ      TRP  35  -1.954   6.106   2.469
  269    HH2  TRP  35           HH       TRP  35  -0.482   5.847   4.389
  270    H    GLU  36           H        GLU  36   1.764   0.956  -3.084
  271    HA   GLU  36           HA       GLU  36   1.348   1.998  -5.711
  272   1HB   GLU  36          2HB       GLU  36   2.956  -0.451  -5.015
  273   2HB   GLU  36          1HB       GLU  36   3.232   0.707  -6.312
  274   1HG   GLU  36          2HG       GLU  36   4.802   1.528  -4.928
  275   2HG   GLU  36          1HG       GLU  36   3.439   2.322  -4.138
  276    H    ASP  37           H        ASP  37  -0.512   1.510  -6.633
  277    HA   ASP  37           HA       ASP  37  -2.163  -0.656  -6.281
  278   1HB   ASP  37          2HB       ASP  37  -3.037   1.216  -7.408
  279   2HB   ASP  37          1HB       ASP  37  -1.741   1.216  -8.598
  280    HA   PRO  38           HA       PRO  38   0.111  -3.912  -8.244
  281   1HB   PRO  38          2HB       PRO  38  -1.553  -5.917  -7.668
  282   2HB   PRO  38          1HB       PRO  38  -0.650  -5.079  -6.400
  283   1HG   PRO  38          2HG       PRO  38  -3.509  -4.765  -7.212
  284   2HG   PRO  38          1HG       PRO  38  -2.803  -4.789  -5.587
  285   1HD   PRO  38          2HD       PRO  38  -3.488  -2.500  -6.981
  286   2HD   PRO  38          1HD       PRO  38  -2.324  -2.563  -5.644
  287    H    ARG  39           H        ARG  39  -2.359  -2.394  -9.717
  288    HA   ARG  39           HA       ARG  39  -2.661  -4.448 -11.791
  289   1HB   ARG  39          2HB       ARG  39  -3.996  -1.778 -11.946
  290   2HB   ARG  39          1HB       ARG  39  -4.542  -3.331 -12.547
  291   1HG   ARG  39          2HG       ARG  39  -4.344  -2.917  -9.611
  292   2HG   ARG  39          1HG       ARG  39  -5.699  -2.215 -10.499
  293   1HD   ARG  39          2HD       ARG  39  -6.383  -4.354  -9.713
  294   2HD   ARG  39          1HD       ARG  39  -6.137  -4.481 -11.452
  295    HE   ARG  39           HE       ARG  39  -3.801  -5.206  -9.992
  296   1HH1  ARG  39          2HH1      ARG  39  -6.928  -6.365 -11.056
  297   2HH1  ARG  39          1HH1      ARG  39  -6.451  -8.038 -11.049
  298   1HH2  ARG  39          2HH2      ARG  39  -3.179  -7.411  -9.929
  299   2HH2  ARG  39          1HH2      ARG  39  -4.328  -8.640 -10.372
  300    H    LEU  40           H        LEU  40  -1.702  -1.106 -11.260
  301    HA   LEU  40           HA       LEU  40  -0.516  -0.867 -13.890
  302   1HB   LEU  40          2HB       LEU  40  -0.087   0.990 -11.560
  303   2HB   LEU  40          1HB       LEU  40   0.033   1.355 -13.271
  304    HG   LEU  40           HG       LEU  40  -2.596   0.548 -12.071
  305   1HD1  LEU  40          1HD1      LEU  40  -1.268   2.614 -10.986
  306   2HD1  LEU  40          2HD1      LEU  40  -2.034   3.432 -12.350
  307   3HD1  LEU  40          3HD1      LEU  40  -3.022   2.573 -11.170
  308   1HD2  LEU  40          1HD2      LEU  40  -1.803   2.236 -14.440
  309   2HD2  LEU  40          2HD2      LEU  40  -2.452   0.596 -14.485
  310   3HD2  LEU  40          3HD2      LEU  40  -3.461   1.926 -13.918
  311    H    LYS  41           H        LYS  41   0.516  -1.261 -10.556
  312    HA   LYS  41           HA       LYS  41   2.340  -2.225  -9.640
  313   1HB   LYS  41          2HB       LYS  41   2.173  -3.400 -12.314
  314   2HB   LYS  41          1HB       LYS  41   3.797  -3.426 -11.639
  315   1HG   LYS  41          2HG       LYS  41   2.027  -4.235  -9.597
  316   2HG   LYS  41          1HG       LYS  41   1.594  -5.122 -11.059
  317   1HD   LYS  41          2HD       LYS  41   3.269  -6.336  -9.755
  318   2HD   LYS  41          1HD       LYS  41   3.918  -5.837 -11.319
  319   1HE   LYS  41          2HE       LYS  41   4.311  -3.963  -9.062
  320   2HE   LYS  41          1HE       LYS  41   5.211  -5.476  -8.986
  321   1HZ   LYS  41          1HZ       LYS  41   5.373  -3.325 -11.010
  322   2HZ   LYS  41          2HZ       LYS  41   5.892  -4.898 -11.378
  323   3HZ   LYS  41          3HZ       LYS  41   6.625  -4.038 -10.109
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -7.282 -19.834 -13.835
    2   2H    GLY   1          2H        GLY   1  -6.723 -18.275 -13.458
    3   3H    GLY   1          3H        GLY   1  -6.565 -18.870 -15.038
    4   1HA   GLY   1          2HA       GLY   1  -8.913 -18.844 -15.376
    5   2HA   GLY   1          1HA       GLY   1  -9.166 -18.415 -13.689
    6    H    SER   2           H        SER   2 -10.328 -16.547 -14.358
    7    HA   SER   2           HA       SER   2  -8.811 -14.495 -15.772
    8   1HB   SER   2          2HB       SER   2 -11.554 -13.999 -14.697
    9   2HB   SER   2          1HB       SER   2 -10.828 -13.470 -16.218
   10    HG   SER   2           HG       SER   2 -10.854 -15.924 -16.627
   11    HA   PRO   3           HA       PRO   3  -7.475 -12.932 -11.792
   12   1HB   PRO   3          2HB       PRO   3  -6.344 -10.752 -13.420
   13   2HB   PRO   3          1HB       PRO   3  -5.524 -11.893 -12.350
   14   1HG   PRO   3          2HG       PRO   3  -5.285 -12.047 -15.015
   15   2HG   PRO   3          1HG       PRO   3  -5.324 -13.500 -13.997
   16   1HD   PRO   3          2HD       PRO   3  -7.507 -12.282 -15.653
   17   2HD   PRO   3          1HD       PRO   3  -7.068 -13.992 -15.453
   18    H    GLY   4           H        GLY   4  -7.680 -10.933 -10.577
   19   1HA   GLY   4          1HA       GLY   4 -10.242  -9.688 -11.091
   20   2HA   GLY   4          2HA       GLY   4  -9.217  -9.440  -9.683
   21    H    ILE   5           H        ILE   5  -9.479  -8.689 -13.130
   22    HA   ILE   5           HA       ILE   5  -8.169  -6.113 -12.555
   23    HB   ILE   5           HB       ILE   5  -8.039  -6.566 -15.338
   24   1HG1  ILE   5          2HG1      ILE   5  -6.308  -8.674 -14.558
   25   2HG1  ILE   5          1HG1      ILE   5  -7.899  -9.046 -13.901
   26   1HG2  ILE   5          1HG2      ILE   5  -5.525  -6.980 -14.023
   27   2HG2  ILE   5          2HG2      ILE   5  -6.092  -5.586 -14.942
   28   3HG2  ILE   5          3HG2      ILE   5  -6.433  -5.702 -13.216
   29   1HD1  ILE   5          1HD1      ILE   5  -8.759  -9.481 -15.919
   30   2HD1  ILE   5          2HD1      ILE   5  -7.909  -8.139 -16.684
   31   3HD1  ILE   5          3HD1      ILE   5  -7.073  -9.665 -16.400
   32    H    GLN   6           H        GLN   6 -10.716  -6.077 -12.047
   33    HA   GLN   6           HA       GLN   6 -12.155  -5.181 -14.424
   34   1HB   GLN   6          2HB       GLN   6 -13.055  -6.632 -12.375
   35   2HB   GLN   6          1HB       GLN   6 -13.353  -5.041 -11.689
   36   1HG   GLN   6          2HG       GLN   6 -14.668  -4.465 -13.693
   37   2HG   GLN   6          1HG       GLN   6 -14.417  -6.101 -14.295
   38   1HE2  GLN   6          1HE2      GLN   6 -16.930  -5.212 -14.038
   39   2HE2  GLN   6          2HE2      GLN   6 -17.725  -5.997 -12.709
   40    H    SER   7           H        SER   7 -13.659  -3.358 -12.358
   41    HA   SER   7           HA       SER   7 -12.111  -1.002 -12.882
   42   1HB   SER   7          2HB       SER   7 -14.343  -0.752 -11.000
   43   2HB   SER   7          1HB       SER   7 -14.067   0.074 -12.535
   44    HG   SER   7           HG       SER   7 -15.248  -1.359 -13.536
   45    H    PHE   8           H        PHE   8 -11.714  -3.347 -10.747
   46    HA   PHE   8           HA       PHE   8 -10.500  -1.600  -8.753
   47   1HB   PHE   8          2HB       PHE   8 -11.626  -3.981  -7.516
   48   2HB   PHE   8          1HB       PHE   8 -11.784  -2.297  -7.044
   49    HD1  PHE   8           1HD      PHE   8 -13.291  -5.066  -8.867
   50    HD2  PHE   8           2HD      PHE   8 -13.667  -0.966  -7.798
   51    HE1  PHE   8           1HE      PHE   8 -15.653  -5.108  -9.563
   52    HE2  PHE   8           2HE      PHE   8 -16.026  -0.994  -8.489
   53    HZ   PHE   8           HZ       PHE   8 -17.025  -3.067  -9.372
   54    H    LEU   9           H        LEU   9  -9.914  -3.925  -7.085
   55    HA   LEU   9           HA       LEU   9  -7.809  -5.154  -8.731
   56   1HB   LEU   9          2HB       LEU   9  -7.739  -5.107  -5.735
   57   2HB   LEU   9          1HB       LEU   9  -6.410  -5.146  -6.876
   58    HG   LEU   9           HG       LEU   9  -7.565  -2.705  -7.402
   59   1HD1  LEU   9          1HD1      LEU   9  -7.734  -3.283  -4.458
   60   2HD1  LEU   9          2HD1      LEU   9  -7.657  -1.651  -5.127
   61   3HD1  LEU   9          3HD1      LEU   9  -9.012  -2.707  -5.529
   62   1HD2  LEU   9          1HD2      LEU   9  -5.133  -3.761  -6.530
   63   2HD2  LEU   9          2HD2      LEU   9  -5.446  -2.136  -7.141
   64   3HD2  LEU   9          3HD2      LEU   9  -5.526  -2.457  -5.409
   65    HA   PRO  10           HA       PRO  10  -9.185  -9.347  -7.722
   66   1HB   PRO  10          2HB       PRO  10  -7.066  -9.672  -5.649
   67   2HB   PRO  10          1HB       PRO  10  -7.483 -10.725  -7.006
   68   1HG   PRO  10          2HG       PRO  10  -5.317  -9.198  -7.121
   69   2HG   PRO  10          1HG       PRO  10  -6.351  -9.400  -8.549
   70   1HD   PRO  10          2HD       PRO  10  -6.153  -7.091  -6.661
   71   2HD   PRO  10          1HD       PRO  10  -6.361  -7.086  -8.424
   72    HA   PRO  11           HA       PRO  11 -12.056  -9.141  -4.436
   73   1HB   PRO  11          2HB       PRO  11 -11.262 -11.930  -3.740
   74   2HB   PRO  11          1HB       PRO  11 -12.868 -11.261  -4.052
   75   1HG   PRO  11          2HG       PRO  11 -11.637 -12.744  -5.884
   76   2HG   PRO  11          1HG       PRO  11 -12.595 -11.327  -6.351
   77   1HD   PRO  11          2HD       PRO  11  -9.638 -11.665  -6.237
   78   2HD   PRO  11          1HD       PRO  11 -10.624 -10.703  -7.356
   79    H    GLY  12           H        GLY  12  -8.946 -10.623  -3.590
   80   1HA   GLY  12          1HA       GLY  12  -9.339 -10.123  -0.768
   81   2HA   GLY  12          2HA       GLY  12  -7.919 -10.833  -1.515
   82    H    TRP  13           H        TRP  13  -8.672  -7.982  -3.121
   83    HA   TRP  13           HA       TRP  13  -6.697  -6.532  -1.489
   84   1HB   TRP  13          2HB       TRP  13  -7.343  -6.453  -4.421
   85   2HB   TRP  13          1HB       TRP  13  -6.543  -5.090  -3.640
   86    HD1  TRP  13           HD       TRP  13  -5.982  -8.766  -4.549
   87    HE1  TRP  13           1HE      TRP  13  -3.465  -9.254  -4.501
   88    HE3  TRP  13           3HE      TRP  13  -4.350  -4.320  -2.618
   89    HZ2  TRP  13           2HZ      TRP  13  -1.081  -7.918  -3.735
   90    HZ3  TRP  13           3HZ      TRP  13  -1.943  -4.005  -2.258
   91    HH2  TRP  13           HH       TRP  13  -0.339  -5.766  -2.805
   92    H    GLU  14           H        GLU  14  -7.420  -4.933  -0.303
   93    HA   GLU  14           HA       GLU  14 -10.042  -3.770  -0.954
   94   1HB   GLU  14          2HB       GLU  14  -9.588  -4.999   1.260
   95   2HB   GLU  14          1HB       GLU  14  -8.640  -3.587   1.700
   96   1HG   GLU  14          2HG       GLU  14 -10.556  -2.173   1.567
   97   2HG   GLU  14          1HG       GLU  14 -11.532  -3.480   0.893
   98    H    MET  15           H        MET  15  -9.838  -1.884  -1.993
   99    HA   MET  15           HA       MET  15  -7.561  -0.163  -1.514
  100   1HB   MET  15          2HB       MET  15  -8.390   1.218  -3.293
  101   2HB   MET  15          1HB       MET  15  -8.534  -0.459  -3.801
  102   1HG   MET  15          2HG       MET  15 -10.831   1.067  -2.621
  103   2HG   MET  15          1HG       MET  15 -10.456   1.093  -4.343
  104   1HE   MET  15          1HE       MET  15 -12.568  -0.736  -1.661
  105   2HE   MET  15          2HE       MET  15 -13.140   0.308  -2.961
  106   3HE   MET  15          3HE       MET  15 -13.545  -1.408  -2.968
  107    H    ARG  16           H        ARG  16  -7.486   1.427  -0.120
  108    HA   ARG  16           HA       ARG  16  -9.977   2.717   0.744
  109   1HB   ARG  16          2HB       ARG  16  -7.992   1.280   2.429
  110   2HB   ARG  16          1HB       ARG  16  -8.577   2.819   3.048
  111   1HG   ARG  16          2HG       ARG  16 -10.588   1.984   3.562
  112   2HG   ARG  16          1HG       ARG  16 -10.688   1.038   2.077
  113   1HD   ARG  16          2HD       ARG  16 -10.643  -0.385   4.080
  114   2HD   ARG  16          1HD       ARG  16  -9.253  -0.666   3.029
  115    HE   ARG  16           HE       ARG  16  -8.581   1.261   4.977
  116   1HH1  ARG  16          2HH1      ARG  16  -9.317  -2.172   4.770
  117   2HH1  ARG  16          1HH1      ARG  16  -8.256  -2.601   6.085
  118   1HH2  ARG  16          2HH2      ARG  16  -7.178   0.692   6.684
  119   2HH2  ARG  16          1HH2      ARG  16  -7.018  -0.978   7.151
  120    H    ILE  17           H        ILE  17  -9.794   4.908   0.833
  121    HA   ILE  17           HA       ILE  17  -7.246   5.993  -0.055
  122    HB   ILE  17           HB       ILE  17  -9.492   7.837   0.553
  123   1HG1  ILE  17          2HG1      ILE  17 -10.531   5.780  -0.524
  124   2HG1  ILE  17          1HG1      ILE  17 -10.776   7.297  -1.378
  125   1HG2  ILE  17          1HG2      ILE  17  -7.410   8.671  -0.353
  126   2HG2  ILE  17          2HG2      ILE  17  -7.543   7.573  -1.729
  127   3HG2  ILE  17          3HG2      ILE  17  -8.709   8.882  -1.528
  128   1HD1  ILE  17          1HD1      ILE  17  -9.868   6.459  -3.207
  129   2HD1  ILE  17          2HD1      ILE  17  -8.401   6.018  -2.333
  130   3HD1  ILE  17          3HD1      ILE  17  -9.762   4.899  -2.391
  131    H    ALA  18           H        ALA  18  -5.772   6.733   1.295
  132    HA   ALA  18           HA       ALA  18  -6.411   7.085   4.091
  133   1HB   ALA  18          1HB       ALA  18  -4.198   6.179   2.796
  134   2HB   ALA  18          2HB       ALA  18  -3.720   7.832   3.187
  135   3HB   ALA  18          3HB       ALA  18  -4.224   6.732   4.471
  136    HA   PRO  19           HA       PRO  19  -7.219  11.353   4.098
  137   1HB   PRO  19          2HB       PRO  19  -5.691  11.601   6.613
  138   2HB   PRO  19          1HB       PRO  19  -7.404  11.893   6.299
  139   1HG   PRO  19          2HG       PRO  19  -6.599   9.754   7.674
  140   2HG   PRO  19          1HG       PRO  19  -7.966   9.664   6.546
  141   1HD   PRO  19          2HD       PRO  19  -5.130   8.768   6.164
  142   2HD   PRO  19          1HD       PRO  19  -6.641   7.953   5.701
  143    H    ASN  20           H        ASN  20  -4.030  10.312   3.770
  144    HA   ASN  20           HA       ASN  20  -2.817  12.933   3.851
  145   1HB   ASN  20          2HB       ASN  20  -1.216  11.220   2.255
  146   2HB   ASN  20          1HB       ASN  20  -0.912  11.758   3.899
  147   1HD2  ASN  20          1HD2      ASN  20  -1.321  10.376   5.600
  148   2HD2  ASN  20          2HD2      ASN  20  -1.613   8.683   5.366
  149    H    GLY  21           H        GLY  21  -4.394  10.874   1.556
  150   1HA   GLY  21          1HA       GLY  21  -5.437  12.172  -0.301
  151   2HA   GLY  21          2HA       GLY  21  -3.840  12.858  -0.561
  152    H    ARG  22           H        ARG  22  -3.235   9.771   0.299
  153    HA   ARG  22           HA       ARG  22  -3.209   8.918  -2.514
  154   1HB   ARG  22          2HB       ARG  22  -1.572   7.203  -0.979
  155   2HB   ARG  22          1HB       ARG  22  -1.082   8.354  -2.210
  156   1HG   ARG  22          2HG       ARG  22  -1.381   9.994  -0.092
  157   2HG   ARG  22          1HG       ARG  22  -0.884   8.504   0.711
  158   1HD   ARG  22          2HD       ARG  22   0.738   8.847  -1.592
  159   2HD   ARG  22          1HD       ARG  22   0.712  10.375  -0.712
  160    HE   ARG  22           HE       ARG  22   1.909   7.889   0.131
  161   1HH1  ARG  22          2HH1      ARG  22   0.759  11.052   1.097
  162   2HH1  ARG  22          1HH1      ARG  22   1.647  11.063   2.596
  163   1HH2  ARG  22          2HH2      ARG  22   3.093   7.889   2.073
  164   2HH2  ARG  22          1HH2      ARG  22   2.981   9.254   3.154
  165    HA   PRO  23           HA       PRO  23  -6.078   5.606  -1.387
  166   1HB   PRO  23          2HB       PRO  23  -5.218   4.766  -4.108
  167   2HB   PRO  23          1HB       PRO  23  -6.850   4.940  -3.456
  168   1HG   PRO  23          2HG       PRO  23  -5.879   6.716  -5.186
  169   2HG   PRO  23          1HG       PRO  23  -6.891   7.231  -3.823
  170   1HD   PRO  23          2HD       PRO  23  -3.919   7.399  -4.148
  171   2HD   PRO  23          1HD       PRO  23  -5.044   8.573  -3.431
  172    H    PHE  24           H        PHE  24  -5.388   3.864  -0.263
  173    HA   PHE  24           HA       PHE  24  -2.955   2.533  -1.233
  174   1HB   PHE  24          2HB       PHE  24  -2.248   2.039   0.958
  175   2HB   PHE  24          1HB       PHE  24  -2.721   3.725   0.998
  176    HD1  PHE  24           1HD      PHE  24  -3.577   0.326   2.119
  177    HD2  PHE  24           2HD      PHE  24  -4.580   4.461   2.297
  178    HE1  PHE  24           1HE      PHE  24  -5.008  -0.107   4.065
  179    HE2  PHE  24           2HE      PHE  24  -6.018   4.031   4.238
  180    HZ   PHE  24           HZ       PHE  24  -6.236   1.742   5.129
  181    H    PHE  25           H        PHE  25  -2.897   0.289  -1.106
  182    HA   PHE  25           HA       PHE  25  -5.574  -0.914  -0.987
  183   1HB   PHE  25          2HB       PHE  25  -3.282  -1.949  -2.651
  184   2HB   PHE  25          1HB       PHE  25  -4.989  -2.369  -2.768
  185    HD1  PHE  25           1HD      PHE  25  -6.610  -0.656  -3.591
  186    HD2  PHE  25           2HD      PHE  25  -2.399  -0.127  -3.862
  187    HE1  PHE  25           1HE      PHE  25  -6.946   1.098  -5.282
  188    HE2  PHE  25           2HE      PHE  25  -2.727   1.623  -5.557
  189    HZ   PHE  25           HZ       PHE  25  -5.002   2.230  -6.271
  190    H    ILE  26           H        ILE  26  -5.811  -2.064   0.698
  191    HA   ILE  26           HA       ILE  26  -3.476  -3.315   1.885
  192    HB   ILE  26           HB       ILE  26  -5.010  -1.888   3.273
  193   1HG1  ILE  26          2HG1      ILE  26  -3.445  -3.902   3.939
  194   2HG1  ILE  26          1HG1      ILE  26  -4.397  -3.032   5.134
  195   1HG2  ILE  26          1HG2      ILE  26  -6.905  -4.129   2.730
  196   2HG2  ILE  26          2HG2      ILE  26  -7.008  -3.183   4.214
  197   3HG2  ILE  26          3HG2      ILE  26  -7.174  -2.388   2.648
  198   1HD1  ILE  26          1HD1      ILE  26  -4.350  -5.769   4.688
  199   2HD1  ILE  26          2HD1      ILE  26  -5.497  -4.878   5.689
  200   3HD1  ILE  26          3HD1      ILE  26  -5.885  -5.231   4.005
  201    H    ASP  27           H        ASP  27  -3.011  -5.224   1.267
  202    HA   ASP  27           HA       ASP  27  -4.928  -6.927  -0.037
  203   1HB   ASP  27          2HB       ASP  27  -3.041  -7.558  -1.066
  204   2HB   ASP  27          1HB       ASP  27  -2.062  -6.692   0.110
  205    H    HIS  28           H        HIS  28  -6.075  -8.503   0.877
  206    HA   HIS  28           HA       HIS  28  -5.655  -8.949   3.747
  207   1HB   HIS  28          2HB       HIS  28  -8.054  -9.218   1.953
  208   2HB   HIS  28          1HB       HIS  28  -8.014  -9.981   3.538
  209    HD1  HIS  28           1HD      HIS  28  -7.520  -8.196   5.589
  210    HD2  HIS  28           2HD      HIS  28  -8.940  -6.659   1.989
  211    HE1  HIS  28           1HE      HIS  28  -8.431  -5.915   6.131
  212    HE2  HIS  28           2HE      HIS  28  -9.412  -5.060   3.975
  213    H    ASN  29           H        ASN  29  -4.459 -10.322   1.164
  214    HA   ASN  29           HA       ASN  29  -5.121 -13.085   1.809
  215   1HB   ASN  29          2HB       ASN  29  -3.184 -12.159  -0.314
  216   2HB   ASN  29          1HB       ASN  29  -4.064 -13.674  -0.221
  217   1HD2  ASN  29          1HD2      ASN  29  -4.090 -10.438  -1.293
  218   2HD2  ASN  29          2HD2      ASN  29  -5.641 -10.473  -2.059
  219    H    THR  30           H        THR  30  -2.324 -10.919   1.515
  220    HA   THR  30           HA       THR  30  -0.859 -12.715   3.337
  221    HB   THR  30           HB       THR  30   1.232 -11.772   2.351
  222    HG1  THR  30           1HG      THR  30  -0.395  -9.998   1.261
  223   1HG2  THR  30          1HG2      THR  30  -0.743 -13.165   0.559
  224   2HG2  THR  30          2HG2      THR  30   0.502 -13.899   1.574
  225   3HG2  THR  30          3HG2      THR  30   0.963 -12.967   0.148
  226    H    LYS  31           H        LYS  31  -2.513  -9.936   3.310
  227    HA   LYS  31           HA       LYS  31  -2.774  -8.239   4.773
  228   1HB   LYS  31          2HB       LYS  31  -1.142 -10.173   6.339
  229   2HB   LYS  31          1HB       LYS  31  -1.365  -8.555   6.989
  230   1HG   LYS  31          2HG       LYS  31  -3.215  -9.404   7.902
  231   2HG   LYS  31          1HG       LYS  31  -3.911  -9.205   6.293
  232   1HD   LYS  31          2HD       LYS  31  -4.424 -11.406   6.708
  233   2HD   LYS  31          1HD       LYS  31  -2.865 -11.588   5.900
  234   1HE   LYS  31          2HE       LYS  31  -2.677 -11.196   8.794
  235   2HE   LYS  31          1HE       LYS  31  -3.529 -12.665   8.325
  236   1HZ   LYS  31          1HZ       LYS  31  -1.573 -13.144   6.849
  237   2HZ   LYS  31          2HZ       LYS  31  -1.264 -13.226   8.515
  238   3HZ   LYS  31          3HZ       LYS  31  -0.756 -11.878   7.629
  239    H    THR  32           H        THR  32  -1.451  -7.208   2.928
  240    HA   THR  32           HA       THR  32   0.776  -5.780   4.221
  241    HB   THR  32           HB       THR  32   0.966  -5.654   1.346
  242    HG1  THR  32           1HG      THR  32   0.006  -7.876   1.789
  243   1HG2  THR  32          1HG2      THR  32   3.219  -6.892   2.188
  244   2HG2  THR  32          2HG2      THR  32   2.667  -6.163   3.697
  245   3HG2  THR  32          3HG2      THR  32   2.957  -5.150   2.282
  246    H    THR  33           H        THR  33   0.829  -3.589   3.976
  247    HA   THR  33           HA       THR  33  -1.528  -2.351   2.728
  248    HB   THR  33           HB       THR  33  -0.234  -0.428   4.300
  249    HG1  THR  33           1HG      THR  33   0.798  -1.572   5.754
  250   1HG2  THR  33          1HG2      THR  33  -2.240  -1.138   5.895
  251   2HG2  THR  33          2HG2      THR  33  -2.718  -2.046   4.461
  252   3HG2  THR  33          3HG2      THR  33  -2.510  -0.297   4.369
  253    H    THR  34           H        THR  34  -0.879  -1.904   0.650
  254    HA   THR  34           HA       THR  34   1.620  -0.364   0.386
  255    HB   THR  34           HB       THR  34   1.652  -2.649  -0.676
  256    HG1  THR  34           1HG      THR  34   3.135  -1.296  -1.512
  257   1HG2  THR  34          1HG2      THR  34   0.081  -1.608  -2.966
  258   2HG2  THR  34          2HG2      THR  34  -0.832  -2.151  -1.559
  259   3HG2  THR  34          3HG2      THR  34   0.268  -3.261  -2.376
  260    H    TRP  35           H        TRP  35   1.646   1.349  -1.130
  261    HA   TRP  35           HA       TRP  35  -0.978   2.548  -1.600
  262   1HB   TRP  35          2HB       TRP  35   1.688   3.816  -2.186
  263   2HB   TRP  35          1HB       TRP  35   0.149   4.598  -1.884
  264    HD1  TRP  35           HD       TRP  35   3.061   2.930  -0.083
  265    HE1  TRP  35           1HE      TRP  35   2.980   3.557   2.408
  266    HE3  TRP  35           3HE      TRP  35  -1.461   5.307  -0.019
  267    HZ2  TRP  35           2HZ      TRP  35   1.200   4.915   4.172
  268    HZ3  TRP  35           3HZ      TRP  35  -2.279   6.233   2.095
  269    HH2  TRP  35           HH       TRP  35  -0.981   6.042   4.144
  270    H    GLU  36           H        GLU  36   1.318   0.725  -3.130
  271    HA   GLU  36           HA       GLU  36   1.040   1.871  -5.777
  272   1HB   GLU  36          2HB       GLU  36   2.479  -0.670  -5.042
  273   2HB   GLU  36          1HB       GLU  36   2.766   0.381  -6.423
  274   1HG   GLU  36          2HG       GLU  36   3.092   1.908  -4.046
  275   2HG   GLU  36          1HG       GLU  36   4.021   0.416  -3.892
  276    H    ASP  37           H        ASP  37  -0.471   1.281  -7.155
  277    HA   ASP  37           HA       ASP  37  -2.337  -0.781  -6.574
  278   1HB   ASP  37          2HB       ASP  37  -3.060   1.206  -7.741
  279   2HB   ASP  37          1HB       ASP  37  -1.903   0.920  -9.034
  280    HA   PRO  38           HA       PRO  38   0.182  -4.005  -8.367
  281   1HB   PRO  38          2HB       PRO  38  -1.358  -6.073  -7.613
  282   2HB   PRO  38          1HB       PRO  38  -0.369  -5.172  -6.458
  283   1HG   PRO  38          2HG       PRO  38  -3.297  -4.929  -7.034
  284   2HG   PRO  38          1HG       PRO  38  -2.464  -4.958  -5.469
  285   1HD   PRO  38          2HD       PRO  38  -3.295  -2.660  -6.674
  286   2HD   PRO  38          1HD       PRO  38  -1.888  -2.740  -5.594
  287    H    ARG  39           H        ARG  39  -2.462  -2.698  -9.705
  288    HA   ARG  39           HA       ARG  39  -2.648  -4.784 -11.761
  289   1HB   ARG  39          2HB       ARG  39  -4.332  -2.304 -11.753
  290   2HB   ARG  39          1HB       ARG  39  -4.692  -3.886 -12.416
  291   1HG   ARG  39          2HG       ARG  39  -4.442  -3.483  -9.464
  292   2HG   ARG  39          1HG       ARG  39  -5.944  -3.117 -10.312
  293   1HD   ARG  39          2HD       ARG  39  -5.980  -5.369  -9.373
  294   2HD   ARG  39          1HD       ARG  39  -6.050  -5.416 -11.134
  295    HE   ARG  39           HE       ARG  39  -3.376  -5.643 -10.139
  296   1HH1  ARG  39          2HH1      ARG  39  -6.305  -7.478 -10.732
  297   2HH1  ARG  39          1HH1      ARG  39  -5.458  -8.980 -10.942
  298   1HH2  ARG  39          2HH2      ARG  39  -2.274  -7.600 -10.425
  299   2HH2  ARG  39          1HH2      ARG  39  -3.160  -9.052 -10.779
  300    H    LEU  40           H        LEU  40  -1.274  -1.787 -10.975
  301    HA   LEU  40           HA       LEU  40  -0.667  -1.048 -13.719
  302   1HB   LEU  40          2HB       LEU  40   0.101   0.105 -11.043
  303   2HB   LEU  40          1HB       LEU  40   0.747   0.714 -12.554
  304    HG   LEU  40           HG       LEU  40  -2.207   0.599 -12.022
  305   1HD1  LEU  40          1HD1      LEU  40  -0.819   3.172 -11.740
  306   2HD1  LEU  40          2HD1      LEU  40  -2.186   2.510 -10.842
  307   3HD1  LEU  40          3HD1      LEU  40  -0.543   2.013 -10.439
  308   1HD2  LEU  40          1HD2      LEU  40  -0.731   2.526 -13.769
  309   2HD2  LEU  40          2HD2      LEU  40  -1.136   0.911 -14.353
  310   3HD2  LEU  40          3HD2      LEU  40  -2.416   2.014 -13.846
  311    H    LYS  41           H        LYS  41   0.585  -3.021 -11.274
  312    HA   LYS  41           HA       LYS  41   3.096  -3.317 -12.766
  313   1HB   LYS  41          2HB       LYS  41   3.279  -4.092  -9.947
  314   2HB   LYS  41          1HB       LYS  41   4.391  -3.147 -10.924
  315   1HG   LYS  41          2HG       LYS  41   2.907  -1.177 -10.593
  316   2HG   LYS  41          1HG       LYS  41   1.944  -2.150  -9.480
  317   1HD   LYS  41          2HD       LYS  41   3.383  -1.776  -7.820
  318   2HD   LYS  41          1HD       LYS  41   4.735  -2.332  -8.808
  319   1HE   LYS  41          2HE       LYS  41   4.544   0.012  -9.918
  320   2HE   LYS  41          1HE       LYS  41   3.659   0.435  -8.454
  321   1HZ   LYS  41          1HZ       LYS  41   5.518   0.401  -7.219
  322   2HZ   LYS  41          2HZ       LYS  41   6.321   0.580  -8.700
  323   3HZ   LYS  41          3HZ       LYS  41   6.156  -0.959  -8.009
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1 -13.069  15.271 -17.772
    2   2H    GLY   1          2H        GLY   1 -13.832  14.962 -16.288
    3   3H    GLY   1          3H        GLY   1 -14.702  15.676 -17.556
    4   1HA   GLY   1          2HA       GLY   1 -14.829  13.732 -18.769
    5   2HA   GLY   1          1HA       GLY   1 -13.484  13.016 -17.890
    6    H    SER   2           H        SER   2 -15.577  11.436 -18.106
    7    HA   SER   2           HA       SER   2 -17.452  11.770 -15.958
    8   1HB   SER   2          2HB       SER   2 -17.042   9.099 -17.205
    9   2HB   SER   2          1HB       SER   2 -18.542   9.956 -16.841
   10    HG   SER   2           HG       SER   2 -18.492  10.905 -18.735
   11    HA   PRO   3           HA       PRO   3 -14.746  10.108 -12.793
   12   1HB   PRO   3          2HB       PRO   3 -17.287   9.866 -11.297
   13   2HB   PRO   3          1HB       PRO   3 -15.812  10.741 -10.876
   14   1HG   PRO   3          2HG       PRO   3 -18.025  12.037 -11.628
   15   2HG   PRO   3          1HG       PRO   3 -16.411  12.610 -12.089
   16   1HD   PRO   3          2HD       PRO   3 -18.428  11.112 -13.720
   17   2HD   PRO   3          1HD       PRO   3 -17.372  12.461 -14.193
   18    H    GLY   4           H        GLY   4 -14.094   8.063 -12.716
   19   1HA   GLY   4          1HA       GLY   4 -16.131   5.934 -12.807
   20   2HA   GLY   4          2HA       GLY   4 -14.749   5.884 -13.890
   21    H    ILE   5           H        ILE   5 -15.587   6.069 -10.442
   22    HA   ILE   5           HA       ILE   5 -13.085   4.622  -9.867
   23    HB   ILE   5           HB       ILE   5 -14.618   5.763  -7.606
   24   1HG1  ILE   5          2HG1      ILE   5 -12.965   7.589  -9.363
   25   2HG1  ILE   5          1HG1      ILE   5 -14.721   7.506  -9.456
   26   1HG2  ILE   5          1HG2      ILE   5 -11.858   6.478  -7.713
   27   2HG2  ILE   5          2HG2      ILE   5 -12.678   5.366  -6.614
   28   3HG2  ILE   5          3HG2      ILE   5 -12.034   4.776  -8.147
   29   1HD1  ILE   5          1HD1      ILE   5 -13.076   8.354  -7.086
   30   2HD1  ILE   5          2HD1      ILE   5 -14.094   9.375  -8.101
   31   3HD1  ILE   5          3HD1      ILE   5 -14.827   8.149  -7.069
   32    H    GLN   6           H        GLN   6 -15.189   3.194 -10.911
   33    HA   GLN   6           HA       GLN   6 -16.410   1.810  -8.634
   34   1HB   GLN   6          2HB       GLN   6 -17.089   2.150 -11.490
   35   2HB   GLN   6          1HB       GLN   6 -17.424   0.559 -10.819
   36   1HG   GLN   6          2HG       GLN   6 -18.338   2.643  -9.049
   37   2HG   GLN   6          1HG       GLN   6 -19.021   2.823 -10.664
   38   1HE2  GLN   6          1HE2      GLN   6 -21.073   2.223 -10.191
   39   2HE2  GLN   6          2HE2      GLN   6 -21.510   0.622  -9.689
   40    H    SER   7           H        SER   7 -13.637   1.678 -10.284
   41    HA   SER   7           HA       SER   7 -13.392  -1.032 -11.042
   42   1HB   SER   7          2HB       SER   7 -10.857   0.144 -10.350
   43   2HB   SER   7          1HB       SER   7 -11.509  -0.227 -11.947
   44    HG   SER   7           HG       SER   7 -12.488   1.775 -12.015
   45    H    PHE   8           H        PHE   8 -12.641  -2.791  -9.970
   46    HA   PHE   8           HA       PHE   8 -11.916  -2.447  -7.158
   47   1HB   PHE   8          2HB       PHE   8 -13.057  -4.767  -6.879
   48   2HB   PHE   8          1HB       PHE   8 -14.060  -3.323  -6.919
   49    HD1  PHE   8           1HD      PHE   8 -15.697  -3.024  -8.578
   50    HD2  PHE   8           2HD      PHE   8 -12.890  -6.202  -8.919
   51    HE1  PHE   8           1HE      PHE   8 -17.021  -3.992 -10.411
   52    HE2  PHE   8           2HE      PHE   8 -14.206  -7.174 -10.756
   53    HZ   PHE   8           HZ       PHE   8 -16.275  -6.069 -11.503
   54    H    LEU   9           H        LEU   9 -10.502  -3.934  -6.359
   55    HA   LEU   9           HA       LEU   9  -8.661  -5.041  -8.315
   56   1HB   LEU   9          2HB       LEU   9  -8.365  -4.919  -5.313
   57   2HB   LEU   9          1HB       LEU   9  -7.096  -5.151  -6.498
   58    HG   LEU   9           HG       LEU   9  -8.275  -2.709  -7.180
   59   1HD1  LEU   9          1HD1      LEU   9  -7.864  -1.501  -4.967
   60   2HD1  LEU   9          2HD1      LEU   9  -9.382  -2.385  -5.153
   61   3HD1  LEU   9          3HD1      LEU   9  -8.063  -3.088  -4.217
   62   1HD2  LEU   9          1HD2      LEU   9  -6.019  -2.838  -7.520
   63   2HD2  LEU   9          2HD2      LEU   9  -6.054  -1.908  -6.022
   64   3HD2  LEU   9          3HD2      LEU   9  -5.724  -3.638  -5.976
   65    HA   PRO  10           HA       PRO  10  -9.433  -9.384  -7.631
   66   1HB   PRO  10          2HB       PRO  10  -6.902  -9.796  -6.127
   67   2HB   PRO  10          1HB       PRO  10  -7.492 -10.606  -7.584
   68   1HG   PRO  10          2HG       PRO  10  -5.537  -8.814  -7.740
   69   2HG   PRO  10          1HG       PRO  10  -6.805  -8.878  -8.977
   70   1HD   PRO  10          2HD       PRO  10  -6.487  -6.988  -6.681
   71   2HD   PRO  10          1HD       PRO  10  -6.977  -6.647  -8.353
   72    HA   PRO  11           HA       PRO  11 -11.462 -10.007  -3.793
   73   1HB   PRO  11          2HB       PRO  11 -10.863 -12.735  -3.450
   74   2HB   PRO  11          1HB       PRO  11 -12.276 -12.064  -4.266
   75   1HG   PRO  11          2HG       PRO  11  -9.728 -13.080  -5.415
   76   2HG   PRO  11          1HG       PRO  11 -11.372 -13.167  -6.072
   77   1HD   PRO  11          2HD       PRO  11  -9.574 -11.445  -7.048
   78   2HD   PRO  11          1HD       PRO  11 -11.286 -10.990  -6.889
   79    H    GLY  12           H        GLY  12 -10.674  -9.233  -1.965
   80   1HA   GLY  12          1HA       GLY  12  -9.527  -9.836   0.119
   81   2HA   GLY  12          2HA       GLY  12  -8.208 -10.442  -0.876
   82    H    TRP  13           H        TRP  13  -8.620  -8.061  -2.708
   83    HA   TRP  13           HA       TRP  13  -6.838  -6.296  -1.271
   84   1HB   TRP  13          2HB       TRP  13  -7.888  -6.383  -4.087
   85   2HB   TRP  13          1HB       TRP  13  -7.015  -4.978  -3.482
   86    HD1  TRP  13           HD       TRP  13  -6.504  -8.526  -4.669
   87    HE1  TRP  13           1HE      TRP  13  -3.984  -9.021  -4.818
   88    HE3  TRP  13           3HE      TRP  13  -4.736  -4.336  -2.348
   89    HZ2  TRP  13           2HZ      TRP  13  -1.568  -7.793  -4.019
   90    HZ3  TRP  13           3HZ      TRP  13  -2.307  -4.071  -2.081
   91    HH2  TRP  13           HH       TRP  13  -0.754  -5.765  -2.903
   92    H    GLU  14           H        GLU  14  -7.393  -4.530  -0.224
   93    HA   GLU  14           HA       GLU  14 -10.126  -3.487  -0.589
   94   1HB   GLU  14          2HB       GLU  14  -9.280  -4.677   1.627
   95   2HB   GLU  14          1HB       GLU  14  -8.616  -3.083   1.946
   96   1HG   GLU  14          2HG       GLU  14 -10.816  -2.101   1.774
   97   2HG   GLU  14          1HG       GLU  14 -11.506  -3.675   1.376
   98    H    MET  15           H        MET  15  -9.894  -1.658  -1.799
   99    HA   MET  15           HA       MET  15  -7.648   0.099  -1.367
  100   1HB   MET  15          2HB       MET  15  -8.610   1.520  -3.085
  101   2HB   MET  15          1HB       MET  15  -8.580  -0.149  -3.627
  102   1HG   MET  15          2HG       MET  15 -11.054   0.995  -2.403
  103   2HG   MET  15          1HG       MET  15 -10.649   1.319  -4.088
  104   1HE   MET  15          1HE       MET  15 -13.166   0.385  -4.082
  105   2HE   MET  15          2HE       MET  15 -12.432  -0.099  -5.610
  106   3HE   MET  15          3HE       MET  15 -13.397  -1.254  -4.691
  107    H    ARG  16           H        ARG  16  -7.523   1.484   0.194
  108    HA   ARG  16           HA       ARG  16  -9.970   2.813   1.143
  109   1HB   ARG  16          2HB       ARG  16  -7.643   1.802   2.790
  110   2HB   ARG  16          1HB       ARG  16  -8.886   2.880   3.410
  111   1HG   ARG  16          2HG       ARG  16 -10.396   1.232   3.622
  112   2HG   ARG  16          1HG       ARG  16  -9.893   0.434   2.130
  113   1HD   ARG  16          2HD       ARG  16  -9.345  -1.054   3.879
  114   2HD   ARG  16          1HD       ARG  16  -7.825  -0.306   3.388
  115    HE   ARG  16           HE       ARG  16  -8.205   1.233   5.351
  116   1HH1  ARG  16          2HH1      ARG  16  -9.469  -2.059   5.298
  117   2HH1  ARG  16          1HH1      ARG  16  -9.499  -2.183   7.034
  118   1HH2  ARG  16          2HH2      ARG  16  -8.253   1.037   7.594
  119   2HH2  ARG  16          1HH2      ARG  16  -8.813  -0.435   8.330
  120    H    ILE  17           H        ILE  17  -9.742   5.017   1.594
  121    HA   ILE  17           HA       ILE  17  -7.383   6.167   0.295
  122    HB   ILE  17           HB       ILE  17  -9.659   7.889   1.150
  123   1HG1  ILE  17          2HG1      ILE  17 -10.665   5.817   0.117
  124   2HG1  ILE  17          1HG1      ILE  17 -11.024   7.311  -0.737
  125   1HG2  ILE  17          1HG2      ILE  17  -8.032   7.836  -1.384
  126   2HG2  ILE  17          2HG2      ILE  17  -9.072   9.136  -0.805
  127   3HG2  ILE  17          3HG2      ILE  17  -7.586   8.745   0.060
  128   1HD1  ILE  17          1HD1      ILE  17 -10.538   5.869  -2.451
  129   2HD1  ILE  17          2HD1      ILE  17  -8.979   6.652  -2.194
  130   3HD1  ILE  17          3HD1      ILE  17  -9.272   5.040  -1.542
  131    H    ALA  18           H        ALA  18  -5.762   6.677   1.571
  132    HA   ALA  18           HA       ALA  18  -6.039   7.159   4.369
  133   1HB   ALA  18          1HB       ALA  18  -3.551   8.065   3.788
  134   2HB   ALA  18          2HB       ALA  18  -3.950   6.368   4.052
  135   3HB   ALA  18          3HB       ALA  18  -3.849   7.005   2.411
  136    HA   PRO  19           HA       PRO  19  -6.907  11.479   4.538
  137   1HB   PRO  19          2HB       PRO  19  -4.736  11.769   6.533
  138   2HB   PRO  19          1HB       PRO  19  -6.458  12.137   6.678
  139   1HG   PRO  19          2HG       PRO  19  -5.399  10.007   7.887
  140   2HG   PRO  19          1HG       PRO  19  -7.020   9.946   7.171
  141   1HD   PRO  19          2HD       PRO  19  -4.437   8.860   6.115
  142   2HD   PRO  19          1HD       PRO  19  -6.064   8.151   6.059
  143    H    ASN  20           H        ASN  20  -3.790  10.337   3.763
  144    HA   ASN  20           HA       ASN  20  -2.605  12.901   3.209
  145   1HB   ASN  20          2HB       ASN  20  -1.604  10.297   2.078
  146   2HB   ASN  20          1HB       ASN  20  -0.686  11.733   2.510
  147   1HD2  ASN  20          1HD2      ASN  20  -0.014   9.132   3.302
  148   2HD2  ASN  20          2HD2      ASN  20  -0.161   9.027   5.030
  149    H    GLY  21           H        GLY  21  -4.962  11.130   1.727
  150   1HA   GLY  21          1HA       GLY  21  -6.173  12.008  -0.101
  151   2HA   GLY  21          2HA       GLY  21  -4.708  12.807  -0.658
  152    H    ARG  22           H        ARG  22  -3.997   9.733   0.285
  153    HA   ARG  22           HA       ARG  22  -3.874   8.916  -2.524
  154   1HB   ARG  22          2HB       ARG  22  -2.052   7.331  -1.190
  155   2HB   ARG  22          1HB       ARG  22  -1.681   8.743  -2.158
  156   1HG   ARG  22          2HG       ARG  22  -2.210   9.901   0.222
  157   2HG   ARG  22          1HG       ARG  22  -1.557   8.351   0.743
  158   1HD   ARG  22          2HD       ARG  22   0.430   9.348   0.493
  159   2HD   ARG  22          1HD       ARG  22   0.182   9.039  -1.225
  160    HE   ARG  22           HE       ARG  22  -1.006  11.505  -0.505
  161   1HH1  ARG  22          2HH1      ARG  22   2.112  10.016  -1.006
  162   2HH1  ARG  22          1HH1      ARG  22   2.903  11.487  -1.474
  163   1HH2  ARG  22          2HH2      ARG  22   0.021  13.477  -1.099
  164   2HH2  ARG  22          1HH2      ARG  22   1.714  13.462  -1.517
  165    HA   PRO  23           HA       PRO  23  -6.502   5.427  -1.323
  166   1HB   PRO  23          2HB       PRO  23  -5.787   4.702  -4.109
  167   2HB   PRO  23          1HB       PRO  23  -7.375   4.788  -3.345
  168   1HG   PRO  23          2HG       PRO  23  -6.601   6.648  -5.091
  169   2HG   PRO  23          1HG       PRO  23  -7.542   7.086  -3.652
  170   1HD   PRO  23          2HD       PRO  23  -4.603   7.379  -4.158
  171   2HD   PRO  23          1HD       PRO  23  -5.726   8.500  -3.358
  172    H    PHE  24           H        PHE  24  -5.523   3.882  -0.179
  173    HA   PHE  24           HA       PHE  24  -3.176   2.586  -1.376
  174   1HB   PHE  24          2HB       PHE  24  -2.198   2.225   0.731
  175   2HB   PHE  24          1HB       PHE  24  -2.778   3.879   0.797
  176    HD1  PHE  24           1HD      PHE  24  -3.203   0.476   2.100
  177    HD2  PHE  24           2HD      PHE  24  -4.593   4.499   2.238
  178    HE1  PHE  24           1HE      PHE  24  -4.383  -0.008   4.195
  179    HE2  PHE  24           2HE      PHE  24  -5.788   4.019   4.328
  180    HZ   PHE  24           HZ       PHE  24  -5.687   1.761   5.314
  181    H    PHE  25           H        PHE  25  -3.079   0.399  -1.358
  182    HA   PHE  25           HA       PHE  25  -5.686  -0.888  -0.976
  183   1HB   PHE  25          2HB       PHE  25  -3.499  -1.899  -2.778
  184   2HB   PHE  25          1HB       PHE  25  -5.216  -2.292  -2.812
  185    HD1  PHE  25           1HD      PHE  25  -6.836  -0.683  -3.703
  186    HD2  PHE  25           2HD      PHE  25  -2.652   0.067  -3.858
  187    HE1  PHE  25           1HE      PHE  25  -7.224   1.080  -5.373
  188    HE2  PHE  25           2HE      PHE  25  -3.029   1.829  -5.531
  189    HZ   PHE  25           HZ       PHE  25  -5.312   2.331  -6.295
  190    H    ILE  26           H        ILE  26  -5.766  -1.988   0.760
  191    HA   ILE  26           HA       ILE  26  -3.339  -3.289   1.699
  192    HB   ILE  26           HB       ILE  26  -4.628  -1.807   3.244
  193   1HG1  ILE  26          2HG1      ILE  26  -3.141  -3.939   3.738
  194   2HG1  ILE  26          1HG1      ILE  26  -3.872  -2.985   5.022
  195   1HG2  ILE  26          1HG2      ILE  26  -6.873  -2.147   2.889
  196   2HG2  ILE  26          2HG2      ILE  26  -6.720  -3.903   2.887
  197   3HG2  ILE  26          3HG2      ILE  26  -6.590  -3.008   4.402
  198   1HD1  ILE  26          1HD1      ILE  26  -5.562  -4.598   5.373
  199   2HD1  ILE  26          2HD1      ILE  26  -5.167  -5.442   3.876
  200   3HD1  ILE  26          3HD1      ILE  26  -4.046  -5.490   5.238
  201    H    ASP  27           H        ASP  27  -3.010  -5.266   1.165
  202    HA   ASP  27           HA       ASP  27  -5.115  -6.909   0.074
  203   1HB   ASP  27          2HB       ASP  27  -3.340  -7.562  -1.126
  204   2HB   ASP  27          1HB       ASP  27  -2.215  -6.835   0.014
  205    H    HIS  28           H        HIS  28  -6.250  -8.376   1.159
  206    HA   HIS  28           HA       HIS  28  -5.528  -8.833   3.960
  207   1HB   HIS  28          2HB       HIS  28  -8.127  -9.101   2.452
  208   2HB   HIS  28          1HB       HIS  28  -7.916  -9.730   4.081
  209    HD1  HIS  28           1HD      HIS  28  -7.257  -7.866   5.934
  210    HD2  HIS  28           2HD      HIS  28  -8.809  -6.462   2.336
  211    HE1  HIS  28           1HE      HIS  28  -8.019  -5.514   6.392
  212    HE2  HIS  28           2HE      HIS  28  -9.064  -4.717   4.241
  213    H    ASN  29           H        ASN  29  -4.746 -10.293   1.230
  214    HA   ASN  29           HA       ASN  29  -5.465 -13.011   2.014
  215   1HB   ASN  29          2HB       ASN  29  -3.967 -12.019  -0.421
  216   2HB   ASN  29          1HB       ASN  29  -4.544 -13.652  -0.152
  217   1HD2  ASN  29          1HD2      ASN  29  -5.149 -10.870  -1.713
  218   2HD2  ASN  29          2HD2      ASN  29  -6.853 -11.035  -1.973
  219    H    THR  30           H        THR  30  -2.602 -11.058   1.208
  220    HA   THR  30           HA       THR  30  -1.009 -12.942   2.821
  221    HB   THR  30           HB       THR  30   0.970 -12.190   1.539
  222    HG1  THR  30           1HG      THR  30  -0.709 -10.260   0.699
  223   1HG2  THR  30          1HG2      THR  30   0.264 -13.223  -0.654
  224   2HG2  THR  30          2HG2      THR  30  -1.377 -13.281  -0.005
  225   3HG2  THR  30          3HG2      THR  30  -0.082 -14.187   0.783
  226    H    LYS  31           H        LYS  31  -2.518 -10.161   3.155
  227    HA   LYS  31           HA       LYS  31  -2.459  -8.478   4.663
  228   1HB   LYS  31          2HB       LYS  31  -0.389 -10.259   5.938
  229   2HB   LYS  31          1HB       LYS  31  -1.035  -8.813   6.699
  230   1HG   LYS  31          2HG       LYS  31  -2.999  -9.794   7.210
  231   2HG   LYS  31          1HG       LYS  31  -3.019 -10.768   5.739
  232   1HD   LYS  31          2HD       LYS  31  -1.119 -11.310   8.007
  233   2HD   LYS  31          1HD       LYS  31  -2.735 -12.018   7.937
  234   1HE   LYS  31          2HE       LYS  31  -1.972 -13.618   6.601
  235   2HE   LYS  31          1HE       LYS  31  -1.528 -12.399   5.408
  236   1HZ   LYS  31          1HZ       LYS  31   0.335 -13.833   6.086
  237   2HZ   LYS  31          2HZ       LYS  31   0.203 -13.246   7.669
  238   3HZ   LYS  31          3HZ       LYS  31   0.630 -12.193   6.408
  239    H    THR  32           H        THR  32  -1.445  -7.390   2.674
  240    HA   THR  32           HA       THR  32   1.033  -6.105   3.611
  241    HB   THR  32           HB       THR  32   0.691  -6.003   0.719
  242    HG1  THR  32           1HG      THR  32  -0.101  -8.183   1.225
  243   1HG2  THR  32          1HG2      THR  32   3.064  -7.266   1.915
  244   2HG2  THR  32          2HG2      THR  32   2.718  -5.631   2.479
  245   3HG2  THR  32          3HG2      THR  32   2.944  -5.942   0.757
  246    H    THR  33           H        THR  33   1.192  -3.897   3.301
  247    HA   THR  33           HA       THR  33  -1.280  -2.557   2.412
  248    HB   THR  33           HB       THR  33   0.350  -0.734   3.848
  249    HG1  THR  33           1HG      THR  33   1.380  -2.173   5.085
  250   1HG2  THR  33          1HG2      THR  33  -1.595  -0.969   5.516
  251   2HG2  THR  33          2HG2      THR  33  -2.276  -2.092   4.341
  252   3HG2  THR  33          3HG2      THR  33  -1.960  -0.420   3.881
  253    H    THR  34           H        THR  34  -1.036  -1.798   0.411
  254    HA   THR  34           HA       THR  34   1.577  -0.658  -0.331
  255    HB   THR  34           HB       THR  34   0.731  -2.953  -1.346
  256    HG1  THR  34           1HG      THR  34   2.249  -0.883  -2.369
  257   1HG2  THR  34          1HG2      THR  34  -0.626  -2.880  -3.204
  258   2HG2  THR  34          2HG2      THR  34  -0.359  -1.158  -3.467
  259   3HG2  THR  34          3HG2      THR  34  -1.400  -1.697  -2.149
  260    H    TRP  35           H        TRP  35   1.570   1.261  -1.484
  261    HA   TRP  35           HA       TRP  35  -1.013   2.618  -1.776
  262   1HB   TRP  35          2HB       TRP  35   1.683   3.844  -2.322
  263   2HB   TRP  35          1HB       TRP  35   0.179   4.649  -1.910
  264    HD1  TRP  35           HD       TRP  35   3.050   2.698  -0.308
  265    HE1  TRP  35           1HE      TRP  35   3.082   3.219   2.207
  266    HE3  TRP  35           3HE      TRP  35  -1.276   5.392   0.008
  267    HZ2  TRP  35           2HZ      TRP  35   1.471   4.611   4.087
  268    HZ3  TRP  35           3HZ      TRP  35  -1.961   6.282   2.184
  269    HH2  TRP  35           HH       TRP  35  -0.623   5.902   4.179
  270    H    GLU  36           H        GLU  36   1.717   1.393  -3.475
  271    HA   GLU  36           HA       GLU  36   0.958   2.400  -6.053
  272   1HB   GLU  36          2HB       GLU  36   2.775   0.109  -6.020
  273   2HB   GLU  36          1HB       GLU  36   3.010   1.720  -6.683
  274   1HG   GLU  36          2HG       GLU  36   4.635   1.648  -5.064
  275   2HG   GLU  36          1HG       GLU  36   3.309   2.416  -4.191
  276    H    ASP  37           H        ASP  37  -0.731   1.618  -7.107
  277    HA   ASP  37           HA       ASP  37  -2.229  -0.537  -6.299
  278   1HB   ASP  37          2HB       ASP  37  -2.906  -0.249  -8.924
  279   2HB   ASP  37          1HB       ASP  37  -3.566   0.693  -7.613
  280    HA   PRO  38           HA       PRO  38   0.042  -3.997  -7.846
  281   1HB   PRO  38          2HB       PRO  38  -1.868  -5.886  -7.490
  282   2HB   PRO  38          1HB       PRO  38  -0.958  -5.184  -6.148
  283   1HG   PRO  38          2HG       PRO  38  -3.702  -4.510  -7.134
  284   2HG   PRO  38          1HG       PRO  38  -3.132  -4.707  -5.468
  285   1HD   PRO  38          2HD       PRO  38  -3.470  -2.278  -6.616
  286   2HD   PRO  38          1HD       PRO  38  -2.216  -2.593  -5.398
  287    H    ARG  39           H        ARG  39  -2.125  -2.359  -9.547
  288    HA   ARG  39           HA       ARG  39  -2.673  -4.359 -11.589
  289   1HB   ARG  39          2HB       ARG  39  -3.224  -1.482 -12.091
  290   2HB   ARG  39          1HB       ARG  39  -4.201  -2.894 -12.466
  291   1HG   ARG  39          2HG       ARG  39  -4.128  -2.740  -9.677
  292   2HG   ARG  39          1HG       ARG  39  -4.381  -1.089 -10.247
  293   1HD   ARG  39          2HD       ARG  39  -6.532  -2.007 -10.017
  294   2HD   ARG  39          1HD       ARG  39  -6.190  -2.051 -11.747
  295    HE   ARG  39           HE       ARG  39  -5.367  -4.491 -10.766
  296   1HH1  ARG  39          2HH1      ARG  39  -8.385  -2.699 -10.933
  297   2HH1  ARG  39          1HH1      ARG  39  -9.370  -4.130 -10.917
  298   1HH2  ARG  39          2HH2      ARG  39  -6.660  -6.357 -10.798
  299   2HH2  ARG  39          1HH2      ARG  39  -8.394  -6.216 -10.861
  300    H    LEU  40           H        LEU  40  -0.075  -2.648 -10.704
  301    HA   LEU  40           HA       LEU  40   0.910  -2.346 -13.460
  302   1HB   LEU  40          2HB       LEU  40   2.260  -1.177 -11.059
  303   2HB   LEU  40          1HB       LEU  40   2.368  -0.667 -12.732
  304    HG   LEU  40           HG       LEU  40  -0.263  -0.413 -11.358
  305   1HD1  LEU  40          1HD1      LEU  40   2.056   0.663 -10.218
  306   2HD1  LEU  40          2HD1      LEU  40   1.258   1.996 -11.053
  307   3HD1  LEU  40          3HD1      LEU  40   0.378   1.065  -9.841
  308   1HD2  LEU  40          1HD2      LEU  40  -0.314   1.649 -12.761
  309   2HD2  LEU  40          2HD2      LEU  40   1.244   1.168 -13.432
  310   3HD2  LEU  40          3HD2      LEU  40  -0.172   0.149 -13.679
  311    H    LYS  41           H        LYS  41   1.118  -4.185 -10.635
  312    HA   LYS  41           HA       LYS  41   3.713  -5.299 -11.451
  313   1HB   LYS  41          2HB       LYS  41   3.364  -5.982  -8.763
  314   2HB   LYS  41          1HB       LYS  41   4.495  -4.804  -9.411
  315   1HG   LYS  41          2HG       LYS  41   3.073  -3.006  -8.930
  316   2HG   LYS  41          1HG       LYS  41   1.671  -4.058  -8.724
  317   1HD   LYS  41          2HD       LYS  41   2.238  -4.623  -6.597
  318   2HD   LYS  41          1HD       LYS  41   3.969  -4.538  -6.921
  319   1HE   LYS  41          2HE       LYS  41   3.962  -2.161  -6.768
  320   2HE   LYS  41          1HE       LYS  41   2.199  -2.107  -6.741
  321   1HZ   LYS  41          1HZ       LYS  41   2.162  -2.486  -4.557
  322   2HZ   LYS  41          2HZ       LYS  41   3.803  -2.079  -4.561
  323   3HZ   LYS  41          3HZ       LYS  41   3.331  -3.711  -4.634
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -14.112 -11.961 -22.424
    2   2H    GLY   1          2H        GLY   1 -15.526 -12.546 -21.701
    3   3H    GLY   1          3H        GLY   1 -14.256 -11.973 -20.734
    4   1HA   GLY   1          2HA       GLY   1 -14.622  -9.782 -22.062
    5   2HA   GLY   1          1HA       GLY   1 -16.219 -10.477 -22.320
    6    H    SER   2           H        SER   2 -14.926  -8.216 -20.602
    7    HA   SER   2           HA       SER   2 -15.491  -8.934 -17.903
    8   1HB   SER   2          2HB       SER   2 -15.585  -6.072 -18.480
    9   2HB   SER   2          1HB       SER   2 -14.477  -6.975 -17.445
   10    HG   SER   2           HG       SER   2 -13.155  -7.359 -19.149
   11    HA   PRO   3           HA       PRO   3 -19.914  -8.339 -18.338
   12   1HB   PRO   3          2HB       PRO   3 -20.603  -9.359 -15.954
   13   2HB   PRO   3          1HB       PRO   3 -20.047 -10.395 -17.276
   14   1HG   PRO   3          2HG       PRO   3 -18.548  -9.400 -14.888
   15   2HG   PRO   3          1HG       PRO   3 -18.526 -11.008 -15.633
   16   1HD   PRO   3          2HD       PRO   3 -16.611  -9.080 -16.049
   17   2HD   PRO   3          1HD       PRO   3 -16.970 -10.392 -17.191
   18    H    GLY   4           H        GLY   4 -18.668  -5.997 -17.946
   19   1HA   GLY   4          1HA       GLY   4 -19.083  -3.896 -17.111
   20   2HA   GLY   4          2HA       GLY   4 -20.439  -4.579 -16.222
   21    H    ILE   5           H        ILE   5 -20.147  -5.293 -14.121
   22    HA   ILE   5           HA       ILE   5 -17.942  -4.045 -12.738
   23    HB   ILE   5           HB       ILE   5 -19.192  -5.306 -10.737
   24   1HG1  ILE   5          2HG1      ILE   5 -20.793  -6.168 -12.721
   25   2HG1  ILE   5          1HG1      ILE   5 -21.366  -5.887 -11.086
   26   1HG2  ILE   5          1HG2      ILE   5 -19.942  -2.729 -12.093
   27   2HG2  ILE   5          2HG2      ILE   5 -20.578  -3.217 -10.520
   28   3HG2  ILE   5          3HG2      ILE   5 -18.844  -2.976 -10.733
   29   1HD1  ILE   5          1HD1      ILE   5 -22.582  -4.929 -13.260
   30   2HD1  ILE   5          2HD1      ILE   5 -22.634  -4.125 -11.694
   31   3HD1  ILE   5          3HD1      ILE   5 -21.496  -3.582 -12.926
   32    H    GLN   6           H        GLN   6 -16.221  -5.308 -13.546
   33    HA   GLN   6           HA       GLN   6 -16.070  -8.070 -12.599
   34   1HB   GLN   6          2HB       GLN   6 -15.418  -7.774 -14.897
   35   2HB   GLN   6          1HB       GLN   6 -14.354  -6.440 -14.478
   36   1HG   GLN   6          2HG       GLN   6 -13.297  -8.402 -12.969
   37   2HG   GLN   6          1HG       GLN   6 -13.913  -9.336 -14.332
   38   1HE2  GLN   6          1HE2      GLN   6 -11.343  -7.574 -13.175
   39   2HE2  GLN   6          2HE2      GLN   6 -10.515  -7.297 -14.669
   40    H    SER   7           H        SER   7 -14.391  -8.741 -11.208
   41    HA   SER   7           HA       SER   7 -13.515  -6.943  -9.243
   42   1HB   SER   7          2HB       SER   7 -11.714  -9.109  -9.292
   43   2HB   SER   7          1HB       SER   7 -13.149  -8.940  -8.282
   44    HG   SER   7           HG       SER   7 -12.738 -10.736 -10.123
   45    H    PHE   8           H        PHE   8 -12.309  -5.245  -9.777
   46    HA   PHE   8           HA       PHE   8 -10.479  -5.103 -11.898
   47   1HB   PHE   8          2HB       PHE   8 -10.322  -3.381  -9.424
   48   2HB   PHE   8          1HB       PHE   8  -9.901  -2.952 -11.081
   49    HD1  PHE   8           1HD      PHE   8 -12.402  -2.806  -8.579
   50    HD2  PHE   8           2HD      PHE   8 -11.838  -2.937 -12.797
   51    HE1  PHE   8           1HE      PHE   8 -14.660  -1.881  -8.906
   52    HE2  PHE   8           2HE      PHE   8 -14.096  -2.013 -13.131
   53    HZ   PHE   8           HZ       PHE   8 -15.510  -1.485 -11.185
   54    H    LEU   9           H        LEU   9  -9.795  -5.181  -8.400
   55    HA   LEU   9           HA       LEU   9  -7.133  -6.222  -8.954
   56   1HB   LEU   9          2HB       LEU   9  -8.277  -5.796  -6.208
   57   2HB   LEU   9          1HB       LEU   9  -6.600  -5.791  -6.707
   58    HG   LEU   9           HG       LEU   9  -8.113  -3.668  -7.988
   59   1HD1  LEU   9          1HD1      LEU   9  -9.434  -3.305  -6.166
   60   2HD1  LEU   9          2HD1      LEU   9  -8.281  -4.039  -5.053
   61   3HD1  LEU   9          3HD1      LEU   9  -7.997  -2.409  -5.668
   62   1HD2  LEU   9          1HD2      LEU   9  -5.817  -3.415  -6.084
   63   2HD2  LEU   9          2HD2      LEU   9  -5.588  -4.052  -7.714
   64   3HD2  LEU   9          3HD2      LEU   9  -6.215  -2.421  -7.487
   65    HA   PRO  10           HA       PRO  10  -8.062 -10.415  -7.897
   66   1HB   PRO  10          2HB       PRO  10  -5.951 -10.563  -5.860
   67   2HB   PRO  10          1HB       PRO  10  -6.039 -11.362  -7.433
   68   1HG   PRO  10          2HG       PRO  10  -4.287  -9.382  -6.952
   69   2HG   PRO  10          1HG       PRO  10  -5.051  -9.592  -8.540
   70   1HD   PRO  10          2HD       PRO  10  -5.767  -7.682  -6.337
   71   2HD   PRO  10          1HD       PRO  10  -5.635  -7.370  -8.076
   72    HA   PRO  11           HA       PRO  11 -10.820 -10.543  -4.443
   73   1HB   PRO  11          2HB       PRO  11  -9.874 -13.353  -4.132
   74   2HB   PRO  11          1HB       PRO  11 -11.522 -12.726  -4.255
   75   1HG   PRO  11          2HG       PRO  11 -10.382 -13.942  -6.328
   76   2HG   PRO  11          1HG       PRO  11 -11.410 -12.516  -6.563
   77   1HD   PRO  11          2HD       PRO  11  -8.438 -12.748  -6.658
   78   2HD   PRO  11          1HD       PRO  11  -9.523 -11.732  -7.628
   79    H    GLY  12           H        GLY  12 -10.215  -9.479  -2.670
   80   1HA   GLY  12          1HA       GLY  12  -9.498 -10.051  -0.332
   81   2HA   GLY  12          2HA       GLY  12  -8.000 -10.593  -1.073
   82    H    TRP  13           H        TRP  13  -8.212  -8.268  -3.015
   83    HA   TRP  13           HA       TRP  13  -6.692  -6.443  -1.391
   84   1HB   TRP  13          2HB       TRP  13  -7.457  -6.492  -4.298
   85   2HB   TRP  13          1HB       TRP  13  -6.635  -5.110  -3.576
   86    HD1  TRP  13           HD       TRP  13  -6.076  -8.773  -4.496
   87    HE1  TRP  13           1HE      TRP  13  -3.566  -9.257  -4.445
   88    HE3  TRP  13           3HE      TRP  13  -4.421  -4.335  -2.550
   89    HZ2  TRP  13           2HZ      TRP  13  -1.187  -7.948  -3.678
   90    HZ3  TRP  13           3HZ      TRP  13  -2.003  -4.038  -2.192
   91    HH2  TRP  13           HH       TRP  13  -0.420  -5.810  -2.748
   92    H    GLU  14           H        GLU  14  -7.411  -4.776  -0.326
   93    HA   GLU  14           HA       GLU  14  -9.986  -3.592  -1.134
   94   1HB   GLU  14          2HB       GLU  14  -9.843  -4.931   1.090
   95   2HB   GLU  14          1HB       GLU  14  -8.965  -3.531   1.694
   96   1HG   GLU  14          2HG       GLU  14 -10.948  -2.156   0.893
   97   2HG   GLU  14          1HG       GLU  14 -11.796  -3.695   0.740
   98    H    MET  15           H        MET  15  -9.478  -1.732  -2.130
   99    HA   MET  15           HA       MET  15  -7.197  -0.181  -1.276
  100   1HB   MET  15          2HB       MET  15  -7.813   1.392  -3.057
  101   2HB   MET  15          1HB       MET  15  -7.717  -0.257  -3.655
  102   1HG   MET  15          2HG       MET  15  -9.872  -0.300  -4.245
  103   2HG   MET  15          1HG       MET  15 -10.389   0.543  -2.785
  104   1HE   MET  15          1HE       MET  15 -12.127   2.680  -3.972
  105   2HE   MET  15          2HE       MET  15 -11.097   2.526  -2.548
  106   3HE   MET  15          3HE       MET  15 -10.971   3.952  -3.583
  107    H    ARG  16           H        ARG  16  -7.192   1.345   0.175
  108    HA   ARG  16           HA       ARG  16  -9.741   2.629   0.910
  109   1HB   ARG  16          2HB       ARG  16  -7.452   1.939   2.773
  110   2HB   ARG  16          1HB       ARG  16  -8.949   2.745   3.224
  111   1HG   ARG  16          2HG       ARG  16 -10.169   0.688   2.461
  112   2HG   ARG  16          1HG       ARG  16  -8.594  -0.099   2.320
  113   1HD   ARG  16          2HD       ARG  16  -8.216  -0.023   4.602
  114   2HD   ARG  16          1HD       ARG  16  -9.380   1.271   4.855
  115    HE   ARG  16           HE       ARG  16 -10.706  -1.024   3.890
  116   1HH1  ARG  16          2HH1      ARG  16  -9.178   0.211   6.792
  117   2HH1  ARG  16          1HH1      ARG  16 -10.119  -0.781   7.858
  118   1HH2  ARG  16          2HH2      ARG  16 -11.921  -2.324   5.273
  119   2HH2  ARG  16          1HH2      ARG  16 -11.682  -2.235   6.998
  120    H    ILE  17           H        ILE  17  -9.630   4.848   1.267
  121    HA   ILE  17           HA       ILE  17  -7.207   6.077   0.178
  122    HB   ILE  17           HB       ILE  17  -9.550   7.752   0.922
  123   1HG1  ILE  17          2HG1      ILE  17 -10.430   5.651  -0.223
  124   2HG1  ILE  17          1HG1      ILE  17 -10.839   7.181  -0.986
  125   1HG2  ILE  17          1HG2      ILE  17  -7.535   8.763   0.013
  126   2HG2  ILE  17          2HG2      ILE  17  -7.654   7.738  -1.420
  127   3HG2  ILE  17          3HG2      ILE  17  -8.891   8.959  -1.102
  128   1HD1  ILE  17          1HD1      ILE  17  -9.906   6.540  -2.888
  129   2HD1  ILE  17          2HD1      ILE  17  -8.387   6.156  -2.076
  130   3HD1  ILE  17          3HD1      ILE  17  -9.666   4.947  -2.171
  131    H    ALA  18           H        ALA  18  -5.710   6.806   1.479
  132    HA   ALA  18           HA       ALA  18  -6.199   7.178   4.297
  133   1HB   ALA  18          1HB       ALA  18  -3.727   7.592   2.610
  134   2HB   ALA  18          2HB       ALA  18  -3.782   7.722   4.368
  135   3HB   ALA  18          3HB       ALA  18  -4.116   6.178   3.589
  136    HA   PRO  19           HA       PRO  19  -7.018  11.527   4.488
  137   1HB   PRO  19          2HB       PRO  19  -4.737  11.765   6.385
  138   2HB   PRO  19          1HB       PRO  19  -6.421  12.267   6.577
  139   1HG   PRO  19          2HG       PRO  19  -5.500  10.096   7.818
  140   2HG   PRO  19          1HG       PRO  19  -7.135  10.133   7.129
  141   1HD   PRO  19          2HD       PRO  19  -4.667   8.807   6.090
  142   2HD   PRO  19          1HD       PRO  19  -6.355   8.256   6.036
  143    H    ASN  20           H        ASN  20  -3.820  10.380   3.851
  144    HA   ASN  20           HA       ASN  20  -2.578  12.809   3.110
  145   1HB   ASN  20          2HB       ASN  20  -1.899  10.054   3.181
  146   2HB   ASN  20          1HB       ASN  20  -1.574  10.626   1.548
  147   1HD2  ASN  20          1HD2      ASN  20  -0.021   9.976   4.198
  148   2HD2  ASN  20          2HD2      ASN  20   1.162  11.242   4.228
  149    H    GLY  21           H        GLY  21  -5.003  10.938   1.596
  150   1HA   GLY  21          1HA       GLY  21  -6.182  11.560  -0.341
  151   2HA   GLY  21          2HA       GLY  21  -4.829  12.587  -0.812
  152    H    ARG  22           H        ARG  22  -3.833   9.566   0.252
  153    HA   ARG  22           HA       ARG  22  -3.463   8.674  -2.522
  154   1HB   ARG  22          2HB       ARG  22  -1.893   7.496  -0.270
  155   2HB   ARG  22          1HB       ARG  22  -1.443   7.711  -1.955
  156   1HG   ARG  22          2HG       ARG  22  -1.838  10.155  -0.330
  157   2HG   ARG  22          1HG       ARG  22  -0.409   9.170  -0.008
  158   1HD   ARG  22          2HD       ARG  22  -0.847   9.530  -2.850
  159   2HD   ARG  22          1HD       ARG  22  -0.699  11.075  -2.011
  160    HE   ARG  22           HE       ARG  22   1.342   8.963  -2.152
  161   1HH1  ARG  22          2HH1      ARG  22   0.400  12.240  -1.310
  162   2HH1  ARG  22          1HH1      ARG  22   2.027  12.744  -0.950
  163   1HH2  ARG  22          2HH2      ARG  22   3.467   9.620  -1.701
  164   2HH2  ARG  22          1HH2      ARG  22   3.782  11.261  -1.203
  165    HA   PRO  23           HA       PRO  23  -6.209   5.201  -1.479
  166   1HB   PRO  23          2HB       PRO  23  -5.202   4.492  -4.190
  167   2HB   PRO  23          1HB       PRO  23  -6.852   4.472  -3.564
  168   1HG   PRO  23          2HG       PRO  23  -6.075   6.394  -5.227
  169   2HG   PRO  23          1HG       PRO  23  -7.119   6.773  -3.842
  170   1HD   PRO  23          2HD       PRO  23  -4.176   7.217  -4.173
  171   2HD   PRO  23          1HD       PRO  23  -5.400   8.266  -3.423
  172    H    PHE  24           H        PHE  24  -5.325   3.694  -0.216
  173    HA   PHE  24           HA       PHE  24  -2.852   2.428  -1.164
  174   1HB   PHE  24          2HB       PHE  24  -2.107   2.074   1.065
  175   2HB   PHE  24          1HB       PHE  24  -2.605   3.749   0.974
  176    HD1  PHE  24           1HD      PHE  24  -3.442   0.427   2.334
  177    HD2  PHE  24           2HD      PHE  24  -4.418   4.570   2.268
  178    HE1  PHE  24           1HE      PHE  24  -4.846   0.122   4.322
  179    HE2  PHE  24           2HE      PHE  24  -5.834   4.274   4.249
  180    HZ   PHE  24           HZ       PHE  24  -6.056   2.045   5.284
  181    H    PHE  25           H        PHE  25  -2.795   0.291  -1.319
  182    HA   PHE  25           HA       PHE  25  -5.403  -1.011  -1.140
  183   1HB   PHE  25          2HB       PHE  25  -2.942  -1.815  -2.711
  184   2HB   PHE  25          1HB       PHE  25  -4.510  -2.612  -2.775
  185    HD1  PHE  25           1HD      PHE  25  -6.081  -1.949  -4.340
  186    HD2  PHE  25           2HD      PHE  25  -2.879   0.680  -3.371
  187    HE1  PHE  25           1HE      PHE  25  -6.781  -0.433  -6.143
  188    HE2  PHE  25           2HE      PHE  25  -3.577   2.198  -5.172
  189    HZ   PHE  25           HZ       PHE  25  -5.522   1.637  -6.562
  190    H    ILE  26           H        ILE  26  -5.742  -2.148   0.563
  191    HA   ILE  26           HA       ILE  26  -3.469  -3.457   1.839
  192    HB   ILE  26           HB       ILE  26  -4.960  -1.908   3.163
  193   1HG1  ILE  26          2HG1      ILE  26  -3.453  -3.863   3.962
  194   2HG1  ILE  26          1HG1      ILE  26  -4.503  -3.037   5.103
  195   1HG2  ILE  26          1HG2      ILE  26  -7.133  -2.156   3.281
  196   2HG2  ILE  26          2HG2      ILE  26  -7.024  -3.531   2.180
  197   3HG2  ILE  26          3HG2      ILE  26  -6.944  -3.790   3.922
  198   1HD1  ILE  26          1HD1      ILE  26  -4.391  -5.801   4.445
  199   2HD1  ILE  26          2HD1      ILE  26  -5.386  -4.985   5.654
  200   3HD1  ILE  26          3HD1      ILE  26  -5.982  -5.176   4.004
  201    H    ASP  27           H        ASP  27  -3.111  -5.453   1.348
  202    HA   ASP  27           HA       ASP  27  -5.141  -7.043   0.021
  203   1HB   ASP  27          2HB       ASP  27  -2.939  -7.187  -0.920
  204   2HB   ASP  27          1HB       ASP  27  -2.231  -7.565   0.649
  205    H    HIS  28           H        HIS  28  -6.379  -8.515   0.992
  206    HA   HIS  28           HA       HIS  28  -5.957  -8.966   3.839
  207   1HB   HIS  28          2HB       HIS  28  -8.283  -9.482   1.992
  208   2HB   HIS  28          1HB       HIS  28  -8.245 -10.095   3.646
  209    HD1  HIS  28           1HD      HIS  28  -7.548  -7.965   5.418
  210    HD2  HIS  28           2HD      HIS  28  -9.574  -7.100   1.882
  211    HE1  HIS  28           1HE      HIS  28  -8.636  -5.724   5.784
  212    HE2  HIS  28           2HE      HIS  28  -9.906  -5.243   3.656
  213    H    ASN  29           H        ASN  29  -4.826 -10.381   1.151
  214    HA   ASN  29           HA       ASN  29  -5.128 -13.136   2.028
  215   1HB   ASN  29          2HB       ASN  29  -3.596 -11.878  -0.256
  216   2HB   ASN  29          1HB       ASN  29  -3.628 -13.603   0.072
  217   1HD2  ASN  29          1HD2      ASN  29  -5.239 -10.939  -1.297
  218   2HD2  ASN  29          2HD2      ASN  29  -6.638 -11.795  -1.884
  219    H    THR  30           H        THR  30  -2.443 -10.886   1.399
  220    HA   THR  30           HA       THR  30  -0.684 -12.500   3.083
  221    HB   THR  30           HB       THR  30   1.119 -11.059   2.226
  222    HG1  THR  30           1HG      THR  30  -0.879  -9.821   0.592
  223   1HG2  THR  30          1HG2      THR  30  -0.700 -12.032   0.019
  224   2HG2  THR  30          2HG2      THR  30   0.396 -13.056   0.951
  225   3HG2  THR  30          3HG2      THR  30   1.043 -11.786  -0.091
  226    H    LYS  31           H        LYS  31  -2.694  -9.817   3.369
  227    HA   LYS  31           HA       LYS  31  -3.092  -8.305   5.005
  228   1HB   LYS  31          2HB       LYS  31  -1.162 -10.055   6.529
  229   2HB   LYS  31          1HB       LYS  31  -1.944  -8.653   7.246
  230   1HG   LYS  31          2HG       LYS  31  -3.960  -9.672   7.383
  231   2HG   LYS  31          1HG       LYS  31  -3.702 -10.618   5.917
  232   1HD   LYS  31          2HD       LYS  31  -3.704 -12.161   7.713
  233   2HD   LYS  31          1HD       LYS  31  -2.017 -11.967   7.228
  234   1HE   LYS  31          2HE       LYS  31  -2.963 -10.112   9.312
  235   2HE   LYS  31          1HE       LYS  31  -2.908 -11.811   9.780
  236   1HZ   LYS  31          1HZ       LYS  31  -0.793 -10.003   9.622
  237   2HZ   LYS  31          2HZ       LYS  31  -0.535 -11.169   8.417
  238   3HZ   LYS  31          3HZ       LYS  31  -0.727 -11.650  10.031
  239    H    THR  32           H        THR  32  -1.408  -7.530   3.036
  240    HA   THR  32           HA       THR  32   0.646  -5.949   4.430
  241    HB   THR  32           HB       THR  32   0.744  -6.361   1.471
  242    HG1  THR  32           1HG      THR  32   0.666  -8.479   2.041
  243   1HG2  THR  32          1HG2      THR  32   3.051  -6.375   3.376
  244   2HG2  THR  32          2HG2      THR  32   2.289  -4.852   2.915
  245   3HG2  THR  32          3HG2      THR  32   3.007  -5.893   1.683
  246    H    THR  33           H        THR  33   0.997  -3.793   3.663
  247    HA   THR  33           HA       THR  33  -1.380  -2.570   2.417
  248    HB   THR  33           HB       THR  33  -0.114  -0.576   3.905
  249    HG1  THR  33           1HG      THR  33  -0.547  -2.645   5.758
  250   1HG2  THR  33          1HG2      THR  33  -2.561  -2.248   4.404
  251   2HG2  THR  33          2HG2      THR  33  -2.463  -0.623   3.722
  252   3HG2  THR  33          3HG2      THR  33  -2.119  -0.884   5.433
  253    H    THR  34           H        THR  34  -0.876  -1.797   0.458
  254    HA   THR  34           HA       THR  34   1.766  -0.534   0.120
  255    HB   THR  34           HB       THR  34   1.515  -2.749  -1.084
  256    HG1  THR  34           1HG      THR  34   2.831  -1.982  -2.577
  257   1HG2  THR  34          1HG2      THR  34   0.013  -1.490  -3.276
  258   2HG2  THR  34          2HG2      THR  34  -0.940  -1.836  -1.831
  259   3HG2  THR  34          3HG2      THR  34  -0.065  -3.137  -2.641
  260    H    TRP  35           H        TRP  35   1.824   1.361  -1.158
  261    HA   TRP  35           HA       TRP  35  -0.755   2.674  -1.532
  262   1HB   TRP  35          2HB       TRP  35   1.967   3.812  -2.159
  263   2HB   TRP  35          1HB       TRP  35   0.460   4.692  -1.955
  264    HD1  TRP  35           HD       TRP  35   3.316   3.162  -0.012
  265    HE1  TRP  35           1HE      TRP  35   3.177   3.941   2.435
  266    HE3  TRP  35           3HE      TRP  35  -1.301   5.346  -0.132
  267    HZ2  TRP  35           2HZ      TRP  35   1.327   5.313   4.096
  268    HZ3  TRP  35           3HZ      TRP  35  -2.178   6.363   1.911
  269    HH2  TRP  35           HH       TRP  35  -0.896   6.348   3.981
  270    H    GLU  36           H        GLU  36   1.526   0.900  -3.255
  271    HA   GLU  36           HA       GLU  36   1.087   2.227  -5.796
  272   1HB   GLU  36          2HB       GLU  36   2.702  -0.261  -5.589
  273   2HB   GLU  36          1HB       GLU  36   3.010   1.206  -6.511
  274   1HG   GLU  36          2HG       GLU  36   3.100   1.704  -3.656
  275   2HG   GLU  36          1HG       GLU  36   4.228   0.436  -4.139
  276    H    ASP  37           H        ASP  37  -0.750   1.727  -6.777
  277    HA   ASP  37           HA       ASP  37  -2.374  -0.453  -6.530
  278   1HB   ASP  37          2HB       ASP  37  -3.258   1.325  -7.754
  279   2HB   ASP  37          1HB       ASP  37  -1.852   1.428  -8.807
  280    HA   PRO  38           HA       PRO  38   0.091  -3.748  -8.250
  281   1HB   PRO  38          2HB       PRO  38  -1.782  -5.699  -8.007
  282   2HB   PRO  38          1HB       PRO  38  -0.835  -5.098  -6.642
  283   1HG   PRO  38          2HG       PRO  38  -3.632  -4.425  -7.452
  284   2HG   PRO  38          1HG       PRO  38  -2.967  -4.694  -5.830
  285   1HD   PRO  38          2HD       PRO  38  -3.437  -2.220  -6.862
  286   2HD   PRO  38          1HD       PRO  38  -2.166  -2.550  -5.669
  287    H    ARG  39           H        ARG  39  -2.818  -2.451  -9.578
  288    HA   ARG  39           HA       ARG  39  -2.927  -4.220 -11.841
  289   1HB   ARG  39          2HB       ARG  39  -4.167  -1.483 -11.562
  290   2HB   ARG  39          1HB       ARG  39  -4.615  -2.730 -12.715
  291   1HG   ARG  39          2HG       ARG  39  -4.803  -3.178  -9.759
  292   2HG   ARG  39          1HG       ARG  39  -6.103  -2.411 -10.674
  293   1HD   ARG  39          2HD       ARG  39  -6.607  -4.730 -10.514
  294   2HD   ARG  39          1HD       ARG  39  -6.112  -4.403 -12.173
  295    HE   ARG  39           HE       ARG  39  -3.936  -5.274 -10.540
  296   1HH1  ARG  39          2HH1      ARG  39  -6.728  -6.410 -12.308
  297   2HH1  ARG  39          1HH1      ARG  39  -6.016  -7.938 -12.711
  298   1HH2  ARG  39          2HH2      ARG  39  -2.982  -7.305 -11.063
  299   2HH2  ARG  39          1HH2      ARG  39  -3.893  -8.456 -11.999
  300    H    LEU  40           H        LEU  40  -0.855  -1.753 -10.960
  301    HA   LEU  40           HA       LEU  40  -0.176  -0.807 -13.572
  302   1HB   LEU  40          2HB       LEU  40   1.502  -0.851 -11.059
  303   2HB   LEU  40          1HB       LEU  40   1.848   0.076 -12.508
  304    HG   LEU  40           HG       LEU  40  -0.623   0.485 -10.826
  305   1HD1  LEU  40          1HD1      LEU  40   1.619   2.422 -10.800
  306   2HD1  LEU  40          2HD1      LEU  40   0.447   2.025  -9.543
  307   3HD1  LEU  40          3HD1      LEU  40   1.806   0.945  -9.854
  308   1HD2  LEU  40          1HD2      LEU  40   0.336   1.532 -13.354
  309   2HD2  LEU  40          2HD2      LEU  40  -1.250   1.689 -12.598
  310   3HD2  LEU  40          3HD2      LEU  40   0.045   2.810 -12.175
  311    H    LYS  41           H        LYS  41   0.293  -3.702 -11.938
  312    HA   LYS  41           HA       LYS  41   2.615  -4.464 -13.555
  313   1HB   LYS  41          2HB       LYS  41   1.321  -6.296 -11.574
  314   2HB   LYS  41          1HB       LYS  41   3.009  -6.190 -12.053
  315   1HG   LYS  41          2HG       LYS  41   2.172  -3.753 -10.780
  316   2HG   LYS  41          1HG       LYS  41   1.817  -5.143  -9.754
  317   1HD   LYS  41          2HD       LYS  41   3.972  -5.434  -9.269
  318   2HD   LYS  41          1HD       LYS  41   4.430  -5.363 -10.971
  319   1HE   LYS  41          2HE       LYS  41   4.882  -3.132 -10.904
  320   2HE   LYS  41          1HE       LYS  41   3.697  -2.816  -9.637
  321   1HZ   LYS  41          1HZ       LYS  41   5.689  -4.463  -8.570
  322   2HZ   LYS  41          2HZ       LYS  41   5.333  -2.853  -8.171
  323   3HZ   LYS  41          3HZ       LYS  41   6.465  -3.193  -9.387
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1 -28.440   7.159  -9.961
    2   2H    GLY   1          2H        GLY   1 -27.059   7.893  -9.298
    3   3H    GLY   1          3H        GLY   1 -27.178   6.207  -9.349
    4   1HA   GLY   1          2HA       GLY   1 -26.878   6.101 -11.635
    5   2HA   GLY   1          1HA       GLY   1 -27.264   7.806 -11.826
    6    H    SER   2           H        SER   2 -25.009   6.047  -9.715
    7    HA   SER   2           HA       SER   2 -22.879   7.834 -10.688
    8   1HB   SER   2          2HB       SER   2 -22.052   6.679  -8.266
    9   2HB   SER   2          1HB       SER   2 -22.594   8.340  -8.513
   10    HG   SER   2           HG       SER   2 -24.665   7.744  -7.959
   11    HA   PRO   3           HA       PRO   3 -20.783   4.406 -12.503
   12   1HB   PRO   3          2HB       PRO   3 -18.184   5.068 -11.713
   13   2HB   PRO   3          1HB       PRO   3 -19.000   5.638 -13.171
   14   1HG   PRO   3          2HG       PRO   3 -18.660   6.990 -10.536
   15   2HG   PRO   3          1HG       PRO   3 -18.638   7.683 -12.168
   16   1HD   PRO   3          2HD       PRO   3 -20.769   7.965 -10.575
   17   2HD   PRO   3          1HD       PRO   3 -20.954   7.710 -12.324
   18    H    GLY   4           H        GLY   4 -21.137   2.496 -11.557
   19   1HA   GLY   4          1HA       GLY   4 -20.385   2.076  -8.775
   20   2HA   GLY   4          2HA       GLY   4 -21.342   0.993  -9.772
   21    H    ILE   5           H        ILE   5 -18.704   1.860 -11.546
   22    HA   ILE   5           HA       ILE   5 -17.478  -0.705 -11.246
   23    HB   ILE   5           HB       ILE   5 -15.669   0.474 -12.743
   24   1HG1  ILE   5          2HG1      ILE   5 -17.251   2.669 -12.231
   25   2HG1  ILE   5          1HG1      ILE   5 -16.107   2.527 -13.556
   26   1HG2  ILE   5          1HG2      ILE   5 -17.223   0.044 -14.735
   27   2HG2  ILE   5          2HG2      ILE   5 -16.885  -1.292 -13.636
   28   3HG2  ILE   5          3HG2      ILE   5 -18.416  -0.426 -13.523
   29   1HD1  ILE   5          1HD1      ILE   5 -17.768   2.147 -15.113
   30   2HD1  ILE   5          2HD1      ILE   5 -18.930   1.619 -13.898
   31   3HD1  ILE   5          3HD1      ILE   5 -18.509   3.326 -14.030
   32    H    GLN   6           H        GLN   6 -16.975  -0.557  -8.973
   33    HA   GLN   6           HA       GLN   6 -14.544   1.014  -8.436
   34   1HB   GLN   6          2HB       GLN   6 -16.873   0.259  -6.780
   35   2HB   GLN   6          1HB       GLN   6 -15.309   0.144  -5.984
   36   1HG   GLN   6          2HG       GLN   6 -15.875   2.293  -5.477
   37   2HG   GLN   6          1HG       GLN   6 -14.980   2.547  -6.971
   38   1HE2  GLN   6          1HE2      GLN   6 -16.081   3.144  -8.830
   39   2HE2  GLN   6          2HE2      GLN   6 -17.727   3.688  -8.802
   40    H    SER   7           H        SER   7 -15.600  -2.013  -9.219
   41    HA   SER   7           HA       SER   7 -13.791  -3.552  -7.600
   42   1HB   SER   7          2HB       SER   7 -14.761  -4.945  -9.923
   43   2HB   SER   7          1HB       SER   7 -15.157  -5.210  -8.226
   44    HG   SER   7           HG       SER   7 -16.965  -4.583  -9.646
   45    H    PHE   8           H        PHE   8 -11.739  -2.851  -8.018
   46    HA   PHE   8           HA       PHE   8 -10.776  -3.076 -10.794
   47   1HB   PHE   8          2HB       PHE   8  -9.770  -1.409  -8.484
   48   2HB   PHE   8          1HB       PHE   8  -8.864  -1.635  -9.975
   49    HD1  PHE   8           1HD      PHE   8 -10.131  -1.024 -12.170
   50    HD2  PHE   8           2HD      PHE   8 -11.226   0.357  -8.296
   51    HE1  PHE   8           1HE      PHE   8 -11.341   0.860 -13.188
   52    HE2  PHE   8           2HE      PHE   8 -12.438   2.243  -9.307
   53    HZ   PHE   8           HZ       PHE   8 -12.496   2.497 -11.755
   54    H    LEU   9           H        LEU   9 -10.187  -3.927  -7.446
   55    HA   LEU   9           HA       LEU   9  -8.069  -5.776  -8.329
   56   1HB   LEU   9          2HB       LEU   9  -8.381  -5.116  -5.446
   57   2HB   LEU   9          1HB       LEU   9  -6.933  -5.454  -6.365
   58    HG   LEU   9           HG       LEU   9  -7.857  -3.022  -7.383
   59   1HD1  LEU   9          1HD1      LEU   9  -7.778  -1.744  -5.128
   60   2HD1  LEU   9          2HD1      LEU   9  -9.294  -2.464  -5.670
   61   3HD1  LEU   9          3HD1      LEU   9  -8.321  -3.278  -4.445
   62   1HD2  LEU   9          1HD2      LEU   9  -5.779  -3.194  -5.247
   63   2HD2  LEU   9          2HD2      LEU   9  -5.519  -3.995  -6.800
   64   3HD2  LEU   9          3HD2      LEU   9  -5.778  -2.248  -6.737
   65    HA   PRO  10           HA       PRO  10 -10.325  -9.354  -7.002
   66   1HB   PRO  10          2HB       PRO  10  -8.162 -10.041  -5.085
   67   2HB   PRO  10          1HB       PRO  10  -8.816 -10.985  -6.429
   68   1HG   PRO  10          2HG       PRO  10  -6.420  -9.842  -6.616
   69   2HG   PRO  10          1HG       PRO  10  -7.520  -9.877  -8.008
   70   1HD   PRO  10          2HD       PRO  10  -6.916  -7.632  -6.124
   71   2HD   PRO  10          1HD       PRO  10  -7.116  -7.591  -7.888
   72    HA   PRO  11           HA       PRO  11 -12.621  -8.499  -3.336
   73   1HB   PRO  11          2HB       PRO  11 -12.974 -11.048  -2.306
   74   2HB   PRO  11          1HB       PRO  11 -13.963 -10.318  -3.574
   75   1HG   PRO  11          2HG       PRO  11 -11.666 -12.216  -3.815
   76   2HG   PRO  11          1HG       PRO  11 -13.185 -12.173  -4.730
   77   1HD   PRO  11          2HD       PRO  11 -10.900 -11.265  -5.782
   78   2HD   PRO  11          1HD       PRO  11 -12.446 -10.450  -6.104
   79    H    GLY  12           H        GLY  12  -9.751 -10.462  -3.066
   80   1HA   GLY  12          1HA       GLY  12  -9.589 -10.303  -0.205
   81   2HA   GLY  12          2HA       GLY  12  -8.345 -10.904  -1.290
   82    H    TRP  13           H        TRP  13  -9.075  -8.012  -2.573
   83    HA   TRP  13           HA       TRP  13  -6.966  -6.674  -1.023
   84   1HB   TRP  13          2HB       TRP  13  -7.889  -6.430  -3.872
   85   2HB   TRP  13          1HB       TRP  13  -6.976  -5.131  -3.108
   86    HD1  TRP  13           HD       TRP  13  -6.601  -8.810  -4.163
   87    HE1  TRP  13           1HE      TRP  13  -4.095  -9.322  -4.410
   88    HE3  TRP  13           3HE      TRP  13  -4.687  -4.405  -2.400
   89    HZ2  TRP  13           2HZ      TRP  13  -1.639  -8.046  -3.911
   90    HZ3  TRP  13           3HZ      TRP  13  -2.242  -4.136  -2.312
   91    HH2  TRP  13           HH       TRP  13  -0.748  -5.921  -3.055
   92    H    GLU  14           H        GLU  14  -7.404  -4.896   0.095
   93    HA   GLU  14           HA       GLU  14 -10.084  -3.718  -0.214
   94   1HB   GLU  14          2HB       GLU  14  -9.393  -4.934   1.960
   95   2HB   GLU  14          1HB       GLU  14  -8.412  -3.512   2.269
   96   1HG   GLU  14          2HG       GLU  14 -10.372  -2.107   2.244
   97   2HG   GLU  14          1HG       GLU  14 -11.385  -3.491   1.820
   98    H    MET  15           H        MET  15  -9.766  -1.990  -1.508
   99    HA   MET  15           HA       MET  15  -7.481  -0.268  -1.120
  100   1HB   MET  15          2HB       MET  15  -8.102   0.845  -3.052
  101   2HB   MET  15          1HB       MET  15  -8.678  -0.782  -3.361
  102   1HG   MET  15          2HG       MET  15 -10.768   0.666  -2.114
  103   2HG   MET  15          1HG       MET  15 -10.107   1.657  -3.413
  104   1HE   MET  15          1HE       MET  15 -12.603   1.507  -4.016
  105   2HE   MET  15          2HE       MET  15 -13.247   0.277  -5.100
  106   3HE   MET  15          3HE       MET  15 -13.290   0.022  -3.356
  107    H    ARG  16           H        ARG  16  -7.379   1.436   0.144
  108    HA   ARG  16           HA       ARG  16  -9.872   2.732   1.004
  109   1HB   ARG  16          2HB       ARG  16  -7.582   1.877   2.784
  110   2HB   ARG  16          1HB       ARG  16  -8.832   3.008   3.282
  111   1HG   ARG  16          2HG       ARG  16 -10.378   1.393   3.559
  112   2HG   ARG  16          1HG       ARG  16  -9.781   0.434   2.204
  113   1HD   ARG  16          2HD       ARG  16  -9.268  -0.878   4.057
  114   2HD   ARG  16          1HD       ARG  16  -7.752  -0.040   3.720
  115    HE   ARG  16           HE       ARG  16  -8.517   1.576   5.511
  116   1HH1  ARG  16          2HH1      ARG  16  -9.457  -1.825   5.517
  117   2HH1  ARG  16          1HH1      ARG  16  -9.725  -1.857   7.232
  118   1HH2  ARG  16          2HH2      ARG  16  -8.858   1.508   7.742
  119   2HH2  ARG  16          1HH2      ARG  16  -9.376   0.034   8.505
  120    H    ILE  17           H        ILE  17  -9.771   4.919   0.939
  121    HA   ILE  17           HA       ILE  17  -7.289   6.027  -0.133
  122    HB   ILE  17           HB       ILE  17  -9.605   7.821   0.242
  123   1HG1  ILE  17          2HG1      ILE  17 -10.610   5.597  -0.483
  124   2HG1  ILE  17          1HG1      ILE  17 -10.934   6.966  -1.536
  125   1HG2  ILE  17          1HG2      ILE  17  -8.847   8.806  -1.726
  126   2HG2  ILE  17          2HG2      ILE  17  -7.374   8.287  -0.907
  127   3HG2  ILE  17          3HG2      ILE  17  -8.017   7.339  -2.251
  128   1HD1  ILE  17          1HD1      ILE  17 -10.009   5.944  -3.264
  129   2HD1  ILE  17          2HD1      ILE  17  -8.546   5.570  -2.347
  130   3HD1  ILE  17          3HD1      ILE  17  -9.938   4.489  -2.267
  131    H    ALA  18           H        ALA  18  -5.858   6.680   1.306
  132    HA   ALA  18           HA       ALA  18  -6.640   7.492   3.955
  133   1HB   ALA  18          1HB       ALA  18  -4.298   7.584   4.429
  134   2HB   ALA  18          2HB       ALA  18  -4.596   6.148   3.448
  135   3HB   ALA  18          3HB       ALA  18  -3.897   7.590   2.711
  136    HA   PRO  19           HA       PRO  19  -7.137  11.763   3.367
  137   1HB   PRO  19          2HB       PRO  19  -5.743  12.327   5.891
  138   2HB   PRO  19          1HB       PRO  19  -7.442  12.558   5.468
  139   1HG   PRO  19          2HG       PRO  19  -6.673  10.630   7.163
  140   2HG   PRO  19          1HG       PRO  19  -8.014  10.394   6.025
  141   1HD   PRO  19          2HD       PRO  19  -5.177   9.449   5.826
  142   2HD   PRO  19          1HD       PRO  19  -6.682   8.575   5.467
  143    H    ASN  20           H        ASN  20  -4.137  10.568   2.934
  144    HA   ASN  20           HA       ASN  20  -2.881  13.210   2.712
  145   1HB   ASN  20          2HB       ASN  20  -1.187  11.221   1.583
  146   2HB   ASN  20          1HB       ASN  20  -0.950  12.124   3.070
  147   1HD2  ASN  20          1HD2      ASN  20  -0.559  10.881   4.747
  148   2HD2  ASN  20          2HD2      ASN  20  -1.186   9.285   5.008
  149    H    GLY  21           H        GLY  21  -4.809  11.134   0.982
  150   1HA   GLY  21          1HA       GLY  21  -5.693  11.757  -1.144
  151   2HA   GLY  21          2HA       GLY  21  -4.162  12.538  -1.521
  152    H    ARG  22           H        ARG  22  -3.639   9.613  -0.014
  153    HA   ARG  22           HA       ARG  22  -3.054   8.369  -2.610
  154   1HB   ARG  22          2HB       ARG  22  -1.774   7.127  -0.302
  155   2HB   ARG  22          1HB       ARG  22  -1.073   7.652  -1.824
  156   1HG   ARG  22          2HG       ARG  22  -1.787   9.690   0.227
  157   2HG   ARG  22          1HG       ARG  22  -0.334   8.715   0.442
  158   1HD   ARG  22          2HD       ARG  22  -1.007  10.531  -1.871
  159   2HD   ARG  22          1HD       ARG  22   0.267  10.754  -0.676
  160    HE   ARG  22           HE       ARG  22   0.978   8.425  -1.778
  161   1HH1  ARG  22          2HH1      ARG  22  -0.002  11.462  -3.231
  162   2HH1  ARG  22          1HH1      ARG  22   0.988  11.241  -4.646
  163   1HH2  ARG  22          2HH2      ARG  22   2.264   8.121  -3.673
  164   2HH2  ARG  22          1HH2      ARG  22   2.263   9.361  -4.894
  165    HA   PRO  23           HA       PRO  23  -6.148   5.300  -1.336
  166   1HB   PRO  23          2HB       PRO  23  -5.478   4.303  -4.029
  167   2HB   PRO  23          1HB       PRO  23  -7.054   4.671  -3.323
  168   1HG   PRO  23          2HG       PRO  23  -5.965   6.248  -5.197
  169   2HG   PRO  23          1HG       PRO  23  -6.915   6.921  -3.860
  170   1HD   PRO  23          2HD       PRO  23  -3.938   6.816  -4.205
  171   2HD   PRO  23          1HD       PRO  23  -4.953   8.130  -3.571
  172    H    PHE  24           H        PHE  24  -5.280   3.847  -0.020
  173    HA   PHE  24           HA       PHE  24  -2.926   2.387  -0.978
  174   1HB   PHE  24          2HB       PHE  24  -2.119   2.186   1.197
  175   2HB   PHE  24          1HB       PHE  24  -2.784   3.805   1.170
  176    HD1  PHE  24           1HD      PHE  24  -4.705   4.383   2.476
  177    HD2  PHE  24           2HD      PHE  24  -3.175   0.405   2.511
  178    HE1  PHE  24           1HE      PHE  24  -6.002   3.901   4.506
  179    HE2  PHE  24           2HE      PHE  24  -4.464  -0.080   4.535
  180    HZ   PHE  24           HZ       PHE  24  -5.891   1.666   5.540
  181    H    PHE  25           H        PHE  25  -2.958   0.258  -1.134
  182    HA   PHE  25           HA       PHE  25  -5.568  -1.013  -0.740
  183   1HB   PHE  25          2HB       PHE  25  -3.324  -2.069  -2.446
  184   2HB   PHE  25          1HB       PHE  25  -5.033  -2.481  -2.521
  185    HD1  PHE  25           1HD      PHE  25  -6.648  -0.872  -3.447
  186    HD2  PHE  25           2HD      PHE  25  -2.454  -0.187  -3.611
  187    HE1  PHE  25           1HE      PHE  25  -7.004   0.846  -5.169
  188    HE2  PHE  25           2HE      PHE  25  -2.799   1.528  -5.338
  189    HZ   PHE  25           HZ       PHE  25  -5.074   2.047  -6.120
  190    H    ILE  26           H        ILE  26  -5.746  -2.205   0.951
  191    HA   ILE  26           HA       ILE  26  -3.342  -3.512   1.968
  192    HB   ILE  26           HB       ILE  26  -4.630  -1.989   3.480
  193   1HG1  ILE  26          2HG1      ILE  26  -3.144  -4.070   4.033
  194   2HG1  ILE  26          1HG1      ILE  26  -3.954  -3.165   5.305
  195   1HG2  ILE  26          1HG2      ILE  26  -6.603  -3.246   4.632
  196   2HG2  ILE  26          2HG2      ILE  26  -6.863  -2.261   3.193
  197   3HG2  ILE  26          3HG2      ILE  26  -6.749  -4.014   3.053
  198   1HD1  ILE  26          1HD1      ILE  26  -5.431  -5.448   4.155
  199   2HD1  ILE  26          2HD1      ILE  26  -4.010  -5.824   5.134
  200   3HD1  ILE  26          3HD1      ILE  26  -5.331  -4.878   5.821
  201    H    ASP  27           H        ASP  27  -3.042  -5.428   1.293
  202    HA   ASP  27           HA       ASP  27  -5.142  -7.047   0.178
  203   1HB   ASP  27          2HB       ASP  27  -3.380  -7.742  -1.018
  204   2HB   ASP  27          1HB       ASP  27  -2.264  -6.930   0.071
  205    H    HIS  28           H        HIS  28  -6.293  -8.546   1.208
  206    HA   HIS  28           HA       HIS  28  -5.579  -9.115   3.993
  207   1HB   HIS  28          2HB       HIS  28  -8.189  -9.253   2.491
  208   2HB   HIS  28          1HB       HIS  28  -7.987  -9.975   4.081
  209    HD1  HIS  28           1HD      HIS  28  -7.301  -8.217   6.045
  210    HD2  HIS  28           2HD      HIS  28  -8.795  -6.597   2.512
  211    HE1  HIS  28           1HE      HIS  28  -7.983  -5.864   6.604
  212    HE2  HIS  28           2HE      HIS  28  -8.986  -4.934   4.491
  213    H    ASN  29           H        ASN  29  -4.854 -10.451   1.193
  214    HA   ASN  29           HA       ASN  29  -5.581 -13.193   1.795
  215   1HB   ASN  29          2HB       ASN  29  -3.688 -12.383  -0.395
  216   2HB   ASN  29          1HB       ASN  29  -4.795 -13.743  -0.335
  217   1HD2  ASN  29          1HD2      ASN  29  -4.416 -10.385  -1.048
  218   2HD2  ASN  29          2HD2      ASN  29  -5.964 -10.161  -1.795
  219    H    THR  30           H        THR  30  -2.657 -11.220   1.376
  220    HA   THR  30           HA       THR  30  -1.205 -13.186   3.029
  221    HB   THR  30           HB       THR  30   0.867 -12.436   1.923
  222    HG1  THR  30           1HG      THR  30  -0.681 -10.408   1.087
  223   1HG2  THR  30          1HG2      THR  30  -0.174 -14.358   0.984
  224   2HG2  THR  30          2HG2      THR  30   0.309 -13.333  -0.369
  225   3HG2  THR  30          3HG2      THR  30  -1.377 -13.372   0.151
  226    H    LYS  31           H        LYS  31  -2.643 -10.287   3.225
  227    HA   LYS  31           HA       LYS  31  -2.673  -8.651   4.779
  228   1HB   LYS  31          2HB       LYS  31  -1.335 -10.859   6.092
  229   2HB   LYS  31          1HB       LYS  31  -0.769  -9.310   6.704
  230   1HG   LYS  31          2HG       LYS  31  -2.720  -8.852   7.721
  231   2HG   LYS  31          1HG       LYS  31  -3.682  -9.544   6.413
  232   1HD   LYS  31          2HD       LYS  31  -4.010 -11.376   7.624
  233   2HD   LYS  31          1HD       LYS  31  -2.267 -11.659   7.671
  234   1HE   LYS  31          2HE       LYS  31  -2.801  -9.597   9.512
  235   2HE   LYS  31          1HE       LYS  31  -4.030 -10.833   9.776
  236   1HZ   LYS  31          1HZ       LYS  31  -1.276 -11.745   9.472
  237   2HZ   LYS  31          2HZ       LYS  31  -2.511 -12.332  10.475
  238   3HZ   LYS  31          3HZ       LYS  31  -1.655 -10.925  10.907
  239    H    THR  32           H        THR  32  -1.472  -7.696   2.788
  240    HA   THR  32           HA       THR  32   0.918  -6.349   3.870
  241    HB   THR  32           HB       THR  32   0.687  -6.383   0.938
  242    HG1  THR  32           1HG      THR  32   0.035  -8.550   1.489
  243   1HG2  THR  32          1HG2      THR  32   2.600  -5.508   2.386
  244   2HG2  THR  32          2HG2      THR  32   3.039  -6.541   1.027
  245   3HG2  THR  32          3HG2      THR  32   3.017  -7.202   2.661
  246    H    THR  33           H        THR  33   1.130  -4.113   3.329
  247    HA   THR  33           HA       THR  33  -1.356  -2.877   2.339
  248    HB   THR  33           HB       THR  33   0.221  -1.232   4.186
  249    HG1  THR  33           1HG      THR  33  -0.569  -3.799   4.887
  250   1HG2  THR  33          1HG2      THR  33  -1.882  -0.554   4.961
  251   2HG2  THR  33          2HG2      THR  33  -2.658  -2.037   4.409
  252   3HG2  THR  33          3HG2      THR  33  -2.119  -0.838   3.236
  253    H    THR  34           H        THR  34  -0.964  -1.896   0.444
  254    HA   THR  34           HA       THR  34   1.662  -0.604   0.096
  255    HB   THR  34           HB       THR  34   1.586  -2.626  -1.264
  256    HG1  THR  34           1HG      THR  34   1.419  -1.201  -3.439
  257   1HG2  THR  34          1HG2      THR  34  -1.011  -1.476  -2.232
  258   2HG2  THR  34          2HG2      THR  34  -0.660  -3.111  -1.670
  259   3HG2  THR  34          3HG2      THR  34  -0.082  -2.574  -3.248
  260    H    TRP  35           H        TRP  35   1.672   1.441  -0.740
  261    HA   TRP  35           HA       TRP  35  -0.872   2.755  -1.265
  262   1HB   TRP  35          2HB       TRP  35   1.893   3.936  -1.550
  263   2HB   TRP  35          1HB       TRP  35   0.374   4.794  -1.360
  264    HD1  TRP  35           HD       TRP  35   3.016   2.905   0.635
  265    HE1  TRP  35           1HE      TRP  35   2.726   3.475   3.120
  266    HE3  TRP  35           3HE      TRP  35  -1.385   5.476   0.359
  267    HZ2  TRP  35           2HZ      TRP  35   0.854   4.864   4.762
  268    HZ3  TRP  35           3HZ      TRP  35  -2.356   6.382   2.409
  269    HH2  TRP  35           HH       TRP  35  -1.263   6.091   4.561
  270    H    GLU  36           H        GLU  36   1.586   1.137  -2.860
  271    HA   GLU  36           HA       GLU  36   1.230   2.507  -5.401
  272   1HB   GLU  36          2HB       GLU  36   3.026   0.145  -5.020
  273   2HB   GLU  36          1HB       GLU  36   3.235   1.548  -6.060
  274   1HG   GLU  36          2HG       GLU  36   3.290   1.867  -3.087
  275   2HG   GLU  36          1HG       GLU  36   4.714   1.282  -3.947
  276    H    ASP  37           H        ASP  37  -0.383   1.866  -6.619
  277    HA   ASP  37           HA       ASP  37  -1.931  -0.406  -6.225
  278   1HB   ASP  37          2HB       ASP  37  -2.911   1.378  -7.431
  279   2HB   ASP  37          1HB       ASP  37  -1.608   1.402  -8.615
  280    HA   PRO  38           HA       PRO  38   0.656  -3.467  -8.105
  281   1HB   PRO  38          2HB       PRO  38  -0.823  -5.606  -7.501
  282   2HB   PRO  38          1HB       PRO  38  -0.003  -4.675  -6.240
  283   1HG   PRO  38          2HG       PRO  38  -2.877  -4.635  -7.064
  284   2HG   PRO  38          1HG       PRO  38  -2.177  -4.562  -5.439
  285   1HD   PRO  38          2HD       PRO  38  -3.060  -2.367  -6.888
  286   2HD   PRO  38          1HD       PRO  38  -1.911  -2.306  -5.537
  287    H    ARG  39           H        ARG  39  -2.090  -2.268  -9.487
  288    HA   ARG  39           HA       ARG  39  -2.348  -4.414 -11.456
  289   1HB   ARG  39          2HB       ARG  39  -3.954  -1.876 -11.444
  290   2HB   ARG  39          1HB       ARG  39  -4.374  -3.432 -12.134
  291   1HG   ARG  39          2HG       ARG  39  -4.068  -3.031  -9.180
  292   2HG   ARG  39          1HG       ARG  39  -5.589  -2.725 -10.022
  293   1HD   ARG  39          2HD       ARG  39  -5.841  -4.908  -9.313
  294   2HD   ARG  39          1HD       ARG  39  -5.250  -5.116 -10.962
  295    HE   ARG  39           HE       ARG  39  -3.015  -5.079  -9.360
  296   1HH1  ARG  39          2HH1      ARG  39  -5.877  -7.062  -9.701
  297   2HH1  ARG  39          1HH1      ARG  39  -5.103  -8.508  -9.106
  298   1HH2  ARG  39          2HH2      ARG  39  -2.009  -6.977  -8.542
  299   2HH2  ARG  39          1HH2      ARG  39  -2.932  -8.441  -8.393
  300    H    LEU  40           H        LEU  40  -1.950  -0.876 -11.394
  301    HA   LEU  40           HA       LEU  40  -1.181  -0.849 -14.186
  302   1HB   LEU  40          2HB       LEU  40  -0.872   1.524 -12.401
  303   2HB   LEU  40          1HB       LEU  40  -1.328   1.456 -14.092
  304    HG   LEU  40           HG       LEU  40  -3.169   0.399 -11.972
  305   1HD1  LEU  40          1HD1      LEU  40  -3.736   3.108 -12.892
  306   2HD1  LEU  40          2HD1      LEU  40  -3.813   2.418 -11.271
  307   3HD1  LEU  40          3HD1      LEU  40  -2.273   2.988 -11.912
  308   1HD2  LEU  40          1HD2      LEU  40  -3.454   0.015 -14.491
  309   2HD2  LEU  40          2HD2      LEU  40  -4.839   0.644 -13.595
  310   3HD2  LEU  40          3HD2      LEU  40  -3.853   1.731 -14.575
  311    H    LYS  41           H        LYS  41   0.412  -0.250 -11.078
  312    HA   LYS  41           HA       LYS  41   2.914   0.431 -12.307
  313   1HB   LYS  41          2HB       LYS  41   2.080  -0.105  -9.462
  314   2HB   LYS  41          1HB       LYS  41   3.755   0.197  -9.897
  315   1HG   LYS  41          2HG       LYS  41   3.239   2.394 -10.657
  316   2HG   LYS  41          1HG       LYS  41   1.505   2.095 -10.507
  317   1HD   LYS  41          2HD       LYS  41   1.508   2.560  -8.314
  318   2HD   LYS  41          1HD       LYS  41   2.974   1.618  -8.031
  319   1HE   LYS  41          2HE       LYS  41   4.309   3.424  -8.173
  320   2HE   LYS  41          1HE       LYS  41   3.386   4.123  -9.502
  321   1HZ   LYS  41          1HZ       LYS  41   2.882   4.341  -6.593
  322   2HZ   LYS  41          2HZ       LYS  41   1.651   4.639  -7.724
  323   3HZ   LYS  41          3HZ       LYS  41   3.057   5.585  -7.736
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  -4.507 -10.250 -28.814
    2   2H    GLY   1          2H        GLY   1  -4.923  -8.668 -29.260
    3   3H    GLY   1          3H        GLY   1  -6.035  -9.931 -29.476
    4   1HA   GLY   1          2HA       GLY   1  -5.631  -8.291 -27.220
    5   2HA   GLY   1          1HA       GLY   1  -6.890  -9.486 -27.506
    6    H    SER   2           H        SER   2  -4.461  -8.655 -25.477
    7    HA   SER   2           HA       SER   2  -3.168 -11.075 -24.908
    8   1HB   SER   2          2HB       SER   2  -3.526  -9.370 -22.586
    9   2HB   SER   2          1HB       SER   2  -2.051  -9.758 -23.473
   10    HG   SER   2           HG       SER   2  -2.337  -7.602 -23.748
   11    HA   PRO   3           HA       PRO   3  -6.570 -13.379 -23.116
   12   1HB   PRO   3          2HB       PRO   3  -4.309 -14.941 -21.991
   13   2HB   PRO   3          1HB       PRO   3  -5.701 -15.492 -22.929
   14   1HG   PRO   3          2HG       PRO   3  -3.280 -15.355 -24.034
   15   2HG   PRO   3          1HG       PRO   3  -4.733 -14.921 -24.954
   16   1HD   PRO   3          2HD       PRO   3  -2.685 -13.147 -23.690
   17   2HD   PRO   3          1HD       PRO   3  -3.543 -12.961 -25.236
   18    H    GLY   4           H        GLY   4  -7.539 -12.487 -21.418
   19   1HA   GLY   4          1HA       GLY   4  -7.171 -12.827 -18.822
   20   2HA   GLY   4          2HA       GLY   4  -5.963 -11.587 -19.133
   21    H    ILE   5           H        ILE   5  -6.632  -9.519 -19.813
   22    HA   ILE   5           HA       ILE   5  -7.881  -7.641 -19.589
   23    HB   ILE   5           HB       ILE   5 -10.301  -9.266 -20.347
   24   1HG1  ILE   5          2HG1      ILE   5  -8.579  -8.021 -22.444
   25   2HG1  ILE   5          1HG1      ILE   5  -8.066  -9.563 -21.766
   26   1HG2  ILE   5          1HG2      ILE   5  -9.576  -6.428 -20.250
   27   2HG2  ILE   5          2HG2      ILE   5 -10.372  -6.925 -21.741
   28   3HG2  ILE   5          3HG2      ILE   5 -11.161  -7.196 -20.189
   29   1HD1  ILE   5          1HD1      ILE   5 -10.057 -10.632 -22.495
   30   2HD1  ILE   5          2HD1      ILE   5 -10.789  -9.090 -22.945
   31   3HD1  ILE   5          3HD1      ILE   5  -9.414  -9.714 -23.856
   32    H    GLN   6           H        GLN   6  -7.406  -8.057 -17.257
   33    HA   GLN   6           HA       GLN   6  -9.826  -8.737 -15.728
   34   1HB   GLN   6          2HB       GLN   6  -6.972  -9.242 -15.346
   35   2HB   GLN   6          1HB       GLN   6  -7.756  -8.602 -13.909
   36   1HG   GLN   6          2HG       GLN   6  -9.468 -10.413 -14.150
   37   2HG   GLN   6          1HG       GLN   6  -8.470 -11.092 -15.435
   38   1HE2  GLN   6          1HE2      GLN   6  -6.540 -12.068 -14.932
   39   2HE2  GLN   6          2HE2      GLN   6  -6.101 -12.504 -13.316
   40    H    SER   7           H        SER   7 -10.824  -6.733 -15.846
   41    HA   SER   7           HA       SER   7  -9.586  -4.345 -14.903
   42   1HB   SER   7          2HB       SER   7 -12.523  -4.544 -14.701
   43   2HB   SER   7          1HB       SER   7 -11.529  -3.356 -15.545
   44    HG   SER   7           HG       SER   7 -11.905  -4.404 -17.314
   45    H    PHE   8           H        PHE   8  -9.642  -3.441 -12.872
   46    HA   PHE   8           HA       PHE   8  -9.939  -3.187 -10.656
   47   1HB   PHE   8          2HB       PHE   8 -12.301  -4.328 -11.349
   48   2HB   PHE   8          1HB       PHE   8 -11.671  -5.526 -10.234
   49    HD1  PHE   8           1HD      PHE   8 -11.872  -1.805 -10.420
   50    HD2  PHE   8           2HD      PHE   8 -12.407  -5.317  -8.084
   51    HE1  PHE   8           1HE      PHE   8 -12.645  -0.427  -8.533
   52    HE2  PHE   8           2HE      PHE   8 -13.178  -3.952  -6.193
   53    HZ   PHE   8           HZ       PHE   8 -13.300  -1.501  -6.417
   54    H    LEU   9           H        LEU   9  -9.293  -4.184  -8.675
   55    HA   LEU   9           HA       LEU   9  -7.256  -6.183  -9.079
   56   1HB   LEU   9          2HB       LEU   9  -7.911  -5.434  -6.308
   57   2HB   LEU   9          1HB       LEU   9  -6.362  -5.527  -7.113
   58    HG   LEU   9           HG       LEU   9  -7.624  -3.308  -8.246
   59   1HD1  LEU   9          1HD1      LEU   9  -8.226  -3.647  -5.351
   60   2HD1  LEU   9          2HD1      LEU   9  -7.869  -2.033  -5.981
   61   3HD1  LEU   9          3HD1      LEU   9  -9.224  -2.961  -6.634
   62   1HD2  LEU   9          1HD2      LEU   9  -5.209  -3.787  -7.625
   63   2HD2  LEU   9          2HD2      LEU   9  -5.792  -2.142  -7.359
   64   3HD2  LEU   9          3HD2      LEU   9  -5.642  -3.255  -5.997
   65    HA   PRO  10           HA       PRO  10  -9.309  -9.794  -7.658
   66   1HB   PRO  10          2HB       PRO  10  -7.287 -10.263  -5.558
   67   2HB   PRO  10          1HB       PRO  10  -7.655 -11.223  -6.994
   68   1HG   PRO  10          2HG       PRO  10  -5.399  -9.803  -6.821
   69   2HG   PRO  10          1HG       PRO  10  -6.280  -9.946  -8.356
   70   1HD   PRO  10          2HD       PRO  10  -6.298  -7.691  -6.370
   71   2HD   PRO  10          1HD       PRO  10  -6.155  -7.608  -8.134
   72    HA   PRO  11           HA       PRO  11 -11.945  -8.976  -4.253
   73   1HB   PRO  11          2HB       PRO  11 -12.303 -11.474  -3.155
   74   2HB   PRO  11          1HB       PRO  11 -13.131 -10.888  -4.602
   75   1HG   PRO  11          2HG       PRO  11 -10.709 -12.630  -4.373
   76   2HG   PRO  11          1HG       PRO  11 -12.085 -12.763  -5.485
   77   1HD   PRO  11          2HD       PRO  11  -9.733 -11.744  -6.280
   78   2HD   PRO  11          1HD       PRO  11 -11.273 -11.100  -6.884
   79    H    GLY  12           H        GLY  12  -8.884 -10.442  -3.645
   80   1HA   GLY  12          1HA       GLY  12  -9.117 -10.253  -0.759
   81   2HA   GLY  12          2HA       GLY  12  -7.702 -10.772  -1.664
   82    H    TRP  13           H        TRP  13  -8.549  -8.030  -3.171
   83    HA   TRP  13           HA       TRP  13  -6.727  -6.439  -1.501
   84   1HB   TRP  13          2HB       TRP  13  -7.370  -6.361  -4.439
   85   2HB   TRP  13          1HB       TRP  13  -6.555  -5.023  -3.632
   86    HD1  TRP  13           HD       TRP  13  -6.026  -8.732  -4.498
   87    HE1  TRP  13           1HE      TRP  13  -3.505  -9.220  -4.504
   88    HE3  TRP  13           3HE      TRP  13  -4.344  -4.236  -2.748
   89    HZ2  TRP  13           2HZ      TRP  13  -1.110  -7.873  -3.828
   90    HZ3  TRP  13           3HZ      TRP  13  -1.928  -3.922  -2.441
   91    HH2  TRP  13           HH       TRP  13  -0.341  -5.702  -2.972
   92    H    GLU  14           H        GLU  14  -7.332  -4.540  -0.656
   93    HA   GLU  14           HA       GLU  14 -10.003  -3.522  -1.366
   94   1HB   GLU  14          2HB       GLU  14  -9.632  -4.796   0.922
   95   2HB   GLU  14          1HB       GLU  14  -8.972  -3.245   1.421
   96   1HG   GLU  14          2HG       GLU  14 -11.092  -2.176   0.729
   97   2HG   GLU  14          1HG       GLU  14 -11.741  -3.779   0.388
   98    H    MET  15           H        MET  15  -9.670  -1.614  -2.352
   99    HA   MET  15           HA       MET  15  -7.454   0.070  -1.629
  100   1HB   MET  15          2HB       MET  15  -8.326   1.644  -3.282
  101   2HB   MET  15          1HB       MET  15  -8.223   0.024  -3.951
  102   1HG   MET  15          2HG       MET  15 -10.822   0.622  -2.788
  103   2HG   MET  15          1HG       MET  15 -10.367   1.704  -4.104
  104   1HE   MET  15          1HE       MET  15  -9.912   1.255  -6.254
  105   2HE   MET  15          2HE       MET  15  -9.014  -0.232  -6.564
  106   3HE   MET  15          3HE       MET  15 -10.652  -0.039  -7.192
  107    H    ARG  16           H        ARG  16  -7.415   1.436  -0.027
  108    HA   ARG  16           HA       ARG  16  -9.946   2.636   0.893
  109   1HB   ARG  16          2HB       ARG  16  -7.564   1.884   2.603
  110   2HB   ARG  16          1HB       ARG  16  -9.033   2.664   3.173
  111   1HG   ARG  16          2HG       ARG  16 -10.245   0.586   2.277
  112   2HG   ARG  16          1HG       ARG  16  -8.643  -0.154   2.234
  113   1HD   ARG  16          2HD       ARG  16  -8.457  -0.215   4.501
  114   2HD   ARG  16          1HD       ARG  16  -9.430   1.237   4.730
  115    HE   ARG  16           HE       ARG  16 -10.801  -1.184   3.822
  116   1HH1  ARG  16          2HH1      ARG  16 -10.097   1.053   6.430
  117   2HH1  ARG  16          1HH1      ARG  16 -11.382   0.478   7.445
  118   1HH2  ARG  16          2HH2      ARG  16 -12.487  -1.927   5.119
  119   2HH2  ARG  16          1HH2      ARG  16 -12.764  -1.223   6.688
  120    H    ILE  17           H        ILE  17  -9.710   4.819   1.717
  121    HA   ILE  17           HA       ILE  17  -7.414   6.154   0.444
  122    HB   ILE  17           HB       ILE  17  -9.779   7.744   1.287
  123   1HG1  ILE  17          2HG1      ILE  17 -10.647   5.646   0.125
  124   2HG1  ILE  17          1HG1      ILE  17 -11.107   7.180  -0.603
  125   1HG2  ILE  17          1HG2      ILE  17  -9.183   9.089  -0.591
  126   2HG2  ILE  17          2HG2      ILE  17  -7.706   8.705   0.296
  127   3HG2  ILE  17          3HG2      ILE  17  -8.087   7.846  -1.197
  128   1HD1  ILE  17          1HD1      ILE  17  -9.969   6.766  -2.498
  129   2HD1  ILE  17          2HD1      ILE  17  -8.652   5.947  -1.658
  130   3HD1  ILE  17          3HD1      ILE  17 -10.158   5.090  -1.987
  131    H    ALA  18           H        ALA  18  -5.885   6.698   1.794
  132    HA   ALA  18           HA       ALA  18  -6.385   7.074   4.616
  133   1HB   ALA  18          1HB       ALA  18  -4.382   5.887   3.844
  134   2HB   ALA  18          2HB       ALA  18  -3.835   7.347   3.015
  135   3HB   ALA  18          3HB       ALA  18  -3.957   7.322   4.777
  136    HA   PRO  19           HA       PRO  19  -6.608  11.544   4.800
  137   1HB   PRO  19          2HB       PRO  19  -4.416  11.391   6.809
  138   2HB   PRO  19          1HB       PRO  19  -6.004  12.157   6.933
  139   1HG   PRO  19          2HG       PRO  19  -5.516   9.865   8.183
  140   2HG   PRO  19          1HG       PRO  19  -7.081  10.155   7.400
  141   1HD   PRO  19          2HD       PRO  19  -4.776   8.488   6.473
  142   2HD   PRO  19          1HD       PRO  19  -6.519   8.179   6.343
  143    H    ASN  20           H        ASN  20  -3.753   9.844   4.054
  144    HA   ASN  20           HA       ASN  20  -1.974  11.956   3.480
  145   1HB   ASN  20          2HB       ASN  20  -2.219   9.085   2.735
  146   2HB   ASN  20          1HB       ASN  20  -1.206  10.089   1.706
  147   1HD2  ASN  20          1HD2      ASN  20   0.813  10.454   2.316
  148   2HD2  ASN  20          2HD2      ASN  20   1.478  10.067   3.872
  149    H    GLY  21           H        GLY  21  -4.728  10.636   1.843
  150   1HA   GLY  21          1HA       GLY  21  -5.905  11.847   0.164
  151   2HA   GLY  21          2HA       GLY  21  -4.390  12.613  -0.300
  152    H    ARG  22           H        ARG  22  -3.616   9.524   0.226
  153    HA   ARG  22           HA       ARG  22  -3.798   8.905  -2.638
  154   1HB   ARG  22          2HB       ARG  22  -1.918   7.346  -1.013
  155   2HB   ARG  22          1HB       ARG  22  -1.683   8.115  -2.573
  156   1HG   ARG  22          2HG       ARG  22  -1.883  10.138  -0.580
  157   2HG   ARG  22          1HG       ARG  22  -0.731   8.918  -0.043
  158   1HD   ARG  22          2HD       ARG  22  -0.669  10.242  -2.750
  159   2HD   ARG  22          1HD       ARG  22   0.297  10.753  -1.364
  160    HE   ARG  22           HE       ARG  22   0.608   8.262  -2.889
  161   1HH1  ARG  22          2HH1      ARG  22   1.737  10.419  -0.363
  162   2HH1  ARG  22          1HH1      ARG  22   3.297   9.654  -0.242
  163   1HH2  ARG  22          2HH2      ARG  22   2.634   7.256  -2.720
  164   2HH2  ARG  22          1HH2      ARG  22   3.804   7.859  -1.583
  165    HA   PRO  23           HA       PRO  23  -6.458   5.376  -1.560
  166   1HB   PRO  23          2HB       PRO  23  -5.547   4.818  -4.348
  167   2HB   PRO  23          1HB       PRO  23  -7.161   4.667  -3.648
  168   1HG   PRO  23          2HG       PRO  23  -6.562   6.725  -5.226
  169   2HG   PRO  23          1HG       PRO  23  -7.554   6.969  -3.774
  170   1HD   PRO  23          2HD       PRO  23  -4.683   7.639  -4.242
  171   2HD   PRO  23          1HD       PRO  23  -5.907   8.509  -3.291
  172    H    PHE  24           H        PHE  24  -5.487   3.895  -0.345
  173    HA   PHE  24           HA       PHE  24  -3.056   2.629  -1.401
  174   1HB   PHE  24          2HB       PHE  24  -2.310   2.192   0.822
  175   2HB   PHE  24          1HB       PHE  24  -2.792   3.878   0.773
  176    HD1  PHE  24           1HD      PHE  24  -3.647   0.539   2.050
  177    HD2  PHE  24           2HD      PHE  24  -4.619   4.682   2.070
  178    HE1  PHE  24           1HE      PHE  24  -5.062   0.195   4.028
  179    HE2  PHE  24           2HE      PHE  24  -6.043   4.343   4.041
  180    HZ   PHE  24           HZ       PHE  24  -6.268   2.097   5.027
  181    H    PHE  25           H        PHE  25  -2.947   0.439  -1.476
  182    HA   PHE  25           HA       PHE  25  -5.552  -0.882  -1.278
  183   1HB   PHE  25          2HB       PHE  25  -3.151  -1.779  -2.875
  184   2HB   PHE  25          1HB       PHE  25  -4.796  -2.403  -2.980
  185    HD1  PHE  25           1HD      PHE  25  -2.485   0.106  -4.119
  186    HD2  PHE  25           2HD      PHE  25  -6.600  -0.923  -3.856
  187    HE1  PHE  25           1HE      PHE  25  -3.009   1.771  -5.850
  188    HE2  PHE  25           2HE      PHE  25  -7.134   0.744  -5.584
  189    HZ   PHE  25           HZ       PHE  25  -5.332   2.079  -6.590
  190    H    ILE  26           H        ILE  26  -5.802  -1.920   0.473
  191    HA   ILE  26           HA       ILE  26  -3.510  -3.143   1.758
  192    HB   ILE  26           HB       ILE  26  -5.148  -1.702   3.029
  193   1HG1  ILE  26          2HG1      ILE  26  -3.516  -3.557   3.860
  194   2HG1  ILE  26          1HG1      ILE  26  -4.634  -2.794   4.983
  195   1HG2  ILE  26          1HG2      ILE  26  -7.028  -3.573   3.851
  196   2HG2  ILE  26          2HG2      ILE  26  -7.304  -2.115   2.896
  197   3HG2  ILE  26          3HG2      ILE  26  -7.024  -3.657   2.089
  198   1HD1  ILE  26          1HD1      ILE  26  -4.701  -5.541   3.816
  199   2HD1  ILE  26          2HD1      ILE  26  -4.801  -5.035   5.505
  200   3HD1  ILE  26          3HD1      ILE  26  -6.176  -4.788   4.427
  201    H    ASP  27           H        ASP  27  -3.025  -5.125   1.391
  202    HA   ASP  27           HA       ASP  27  -4.860  -6.843  -0.046
  203   1HB   ASP  27          2HB       ASP  27  -2.933  -7.531  -0.959
  204   2HB   ASP  27          1HB       ASP  27  -2.016  -6.578   0.201
  205    H    HIS  28           H        HIS  28  -6.020  -8.433   0.818
  206    HA   HIS  28           HA       HIS  28  -5.771  -8.855   3.708
  207   1HB   HIS  28          2HB       HIS  28  -8.039  -9.343   1.776
  208   2HB   HIS  28          1HB       HIS  28  -8.071  -9.882   3.450
  209    HD1  HIS  28           1HD      HIS  28  -7.796  -7.831   5.263
  210    HD2  HIS  28           2HD      HIS  28  -9.012  -6.847   1.410
  211    HE1  HIS  28           1HE      HIS  28  -8.807  -5.541   5.434
  212    HE2  HIS  28           2HE      HIS  28  -9.798  -5.117   3.162
  213    H    ASN  29           H        ASN  29  -4.368 -10.215   1.221
  214    HA   ASN  29           HA       ASN  29  -5.022 -12.989   1.817
  215   1HB   ASN  29          2HB       ASN  29  -2.987 -11.925  -0.153
  216   2HB   ASN  29          1HB       ASN  29  -3.656 -13.543  -0.082
  217   1HD2  ASN  29          1HD2      ASN  29  -3.969 -10.425  -1.343
  218   2HD2  ASN  29          2HD2      ASN  29  -5.463 -10.661  -2.187
  219    H    THR  30           H        THR  30  -2.303 -10.726   1.852
  220    HA   THR  30           HA       THR  30  -0.960 -12.511   3.780
  221    HB   THR  30           HB       THR  30   1.201 -11.579   2.935
  222    HG1  THR  30           1HG      THR  30  -0.386  -9.870   1.648
  223   1HG2  THR  30          1HG2      THR  30   0.513 -13.736   2.162
  224   2HG2  THR  30          2HG2      THR  30   1.128 -12.847   0.769
  225   3HG2  THR  30          3HG2      THR  30  -0.613 -13.020   1.007
  226    H    LYS  31           H        LYS  31  -2.546  -9.678   3.477
  227    HA   LYS  31           HA       LYS  31  -2.921  -7.927   4.838
  228   1HB   LYS  31          2HB       LYS  31  -1.793  -9.932   6.578
  229   2HB   LYS  31          1HB       LYS  31  -1.342  -8.318   7.113
  230   1HG   LYS  31          2HG       LYS  31  -3.317  -8.199   8.106
  231   2HG   LYS  31          1HG       LYS  31  -4.034  -8.100   6.497
  232   1HD   LYS  31          2HD       LYS  31  -5.187  -9.890   7.321
  233   2HD   LYS  31          1HD       LYS  31  -3.801 -10.728   6.618
  234   1HE   LYS  31          2HE       LYS  31  -2.896 -11.230   8.651
  235   2HE   LYS  31          1HE       LYS  31  -3.568  -9.796   9.426
  236   1HZ   LYS  31          1HZ       LYS  31  -5.803 -10.968   9.097
  237   2HZ   LYS  31          2HZ       LYS  31  -4.781 -11.529  10.328
  238   3HZ   LYS  31          3HZ       LYS  31  -4.883 -12.373   8.860
  239    H    THR  32           H        THR  32  -1.420  -7.095   3.001
  240    HA   THR  32           HA       THR  32   0.702  -5.557   4.359
  241    HB   THR  32           HB       THR  32   0.945  -5.631   1.458
  242    HG1  THR  32           1HG      THR  32   0.140  -7.852   2.134
  243   1HG2  THR  32          1HG2      THR  32   3.283  -6.130   2.015
  244   2HG2  THR  32          2HG2      THR  32   2.831  -6.345   3.707
  245   3HG2  THR  32          3HG2      THR  32   2.672  -4.762   2.945
  246    H    THR  33           H        THR  33   0.814  -3.367   3.935
  247    HA   THR  33           HA       THR  33  -1.547  -2.248   2.569
  248    HB   THR  33           HB       THR  33  -0.274  -0.290   4.212
  249    HG1  THR  33           1HG      THR  33   0.546  -2.151   5.367
  250   1HG2  THR  33          1HG2      THR  33  -2.551  -0.037   3.815
  251   2HG2  THR  33          2HG2      THR  33  -2.505  -0.603   5.485
  252   3HG2  THR  33          3HG2      THR  33  -2.901  -1.726   4.183
  253    H    THR  34           H        THR  34  -0.905  -1.735   0.555
  254    HA   THR  34           HA       THR  34   1.597  -0.203   0.268
  255    HB   THR  34           HB       THR  34   1.895  -2.439  -0.686
  256    HG1  THR  34           1HG      THR  34   3.032  -1.336  -2.083
  257   1HG2  THR  34          1HG2      THR  34   0.564  -3.239  -2.546
  258   2HG2  THR  34          2HG2      THR  34  -0.413  -1.772  -2.518
  259   3HG2  THR  34          3HG2      THR  34  -0.491  -2.907  -1.172
  260    H    TRP  35           H        TRP  35   1.582   1.490  -1.278
  261    HA   TRP  35           HA       TRP  35  -1.098   2.395  -2.046
  262   1HB   TRP  35          2HB       TRP  35   1.328   4.001  -2.709
  263   2HB   TRP  35          1HB       TRP  35  -0.272   4.543  -2.225
  264    HD1  TRP  35           HD       TRP  35   2.959   3.111  -0.690
  265    HE1  TRP  35           1HE      TRP  35   3.099   3.873   1.762
  266    HE3  TRP  35           3HE      TRP  35  -1.588   5.400  -0.312
  267    HZ2  TRP  35           2HZ      TRP  35   1.473   5.281   3.612
  268    HZ3  TRP  35           3HZ      TRP  35  -2.223   6.426   1.818
  269    HH2  TRP  35           HH       TRP  35  -0.725   6.374   3.738
  270    H    GLU  36           H        GLU  36   1.227   0.468  -3.227
  271    HA   GLU  36           HA       GLU  36   1.235   1.434  -5.969
  272   1HB   GLU  36          2HB       GLU  36   2.561  -0.952  -4.681
  273   2HB   GLU  36          1HB       GLU  36   2.770  -0.472  -6.359
  274   1HG   GLU  36          2HG       GLU  36   3.449   1.822  -5.181
  275   2HG   GLU  36          1HG       GLU  36   3.890   0.700  -3.889
  276    H    ASP  37           H        ASP  37  -0.702   1.059  -6.892
  277    HA   ASP  37           HA       ASP  37  -2.368  -1.140  -6.609
  278   1HB   ASP  37          2HB       ASP  37  -3.245   0.721  -7.757
  279   2HB   ASP  37          1HB       ASP  37  -1.889   0.790  -8.869
  280    HA   PRO  38           HA       PRO  38   0.251  -4.341  -8.315
  281   1HB   PRO  38          2HB       PRO  38  -1.678  -6.292  -8.285
  282   2HB   PRO  38          1HB       PRO  38  -0.707  -5.833  -6.883
  283   1HG   PRO  38          2HG       PRO  38  -3.487  -5.017  -7.614
  284   2HG   PRO  38          1HG       PRO  38  -2.824  -5.440  -6.024
  285   1HD   PRO  38          2HD       PRO  38  -3.234  -2.881  -6.768
  286   2HD   PRO  38          1HD       PRO  38  -1.878  -3.353  -5.724
  287    H    ARG  39           H        ARG  39  -2.599  -3.015  -9.705
  288    HA   ARG  39           HA       ARG  39  -2.378  -4.608 -12.130
  289   1HB   ARG  39          2HB       ARG  39  -4.125  -2.186 -11.869
  290   2HB   ARG  39          1HB       ARG  39  -4.380  -3.639 -12.823
  291   1HG   ARG  39          2HG       ARG  39  -4.290  -4.058  -9.920
  292   2HG   ARG  39          1HG       ARG  39  -5.644  -3.088 -10.504
  293   1HD   ARG  39          2HD       ARG  39  -6.249  -5.427 -10.422
  294   2HD   ARG  39          1HD       ARG  39  -6.216  -4.862 -12.089
  295    HE   ARG  39           HE       ARG  39  -3.726  -5.991 -11.368
  296   1HH1  ARG  39          2HH1      ARG  39  -7.026  -6.912 -12.091
  297   2HH1  ARG  39          1HH1      ARG  39  -6.573  -8.418 -12.824
  298   1HH2  ARG  39          2HH2      ARG  39  -3.128  -7.972 -12.314
  299   2HH2  ARG  39          1HH2      ARG  39  -4.355  -9.031 -12.957
  300    H    LEU  40           H        LEU  40  -0.774  -2.036 -10.846
  301    HA   LEU  40           HA       LEU  40  -0.470  -0.460 -13.240
  302   1HB   LEU  40          2HB       LEU  40   0.946  -0.471 -10.586
  303   2HB   LEU  40          1HB       LEU  40   1.414   0.589 -11.898
  304    HG   LEU  40           HG       LEU  40  -1.279   0.575 -10.535
  305   1HD1  LEU  40          1HD1      LEU  40   0.958   2.594 -10.393
  306   2HD1  LEU  40          2HD1      LEU  40  -0.604   2.695  -9.581
  307   3HD1  LEU  40          3HD1      LEU  40   0.550   1.439  -9.127
  308   1HD2  LEU  40          1HD2      LEU  40  -2.012   2.131 -12.004
  309   2HD2  LEU  40          2HD2      LEU  40  -0.400   2.797 -12.277
  310   3HD2  LEU  40          3HD2      LEU  40  -0.880   1.297 -13.071
  311    H    LYS  41           H        LYS  41   0.798  -3.351 -12.073
  312    HA   LYS  41           HA       LYS  41   2.883  -3.319 -14.123
  313   1HB   LYS  41          2HB       LYS  41   4.466  -4.435 -12.541
  314   2HB   LYS  41          1HB       LYS  41   4.115  -2.762 -12.135
  315   1HG   LYS  41          2HG       LYS  41   2.378  -4.737 -10.829
  316   2HG   LYS  41          1HG       LYS  41   4.079  -4.815 -10.374
  317   1HD   LYS  41          2HD       LYS  41   2.677  -2.177 -10.432
  318   2HD   LYS  41          1HD       LYS  41   2.450  -3.260  -9.057
  319   1HE   LYS  41          2HE       LYS  41   5.194  -3.245  -9.498
  320   2HE   LYS  41          1HE       LYS  41   4.701  -1.569  -9.732
  321   1HZ   LYS  41          1HZ       LYS  41   5.039  -2.951  -7.325
  322   2HZ   LYS  41          2HZ       LYS  41   3.399  -2.560  -7.458
  323   3HZ   LYS  41          3HZ       LYS  41   4.575  -1.335  -7.546
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1 -20.102  -8.598 -15.918
    2   2H    GLY   1          2H        GLY   1 -20.262  -9.579 -17.286
    3   3H    GLY   1          3H        GLY   1 -19.655 -10.229 -15.840
    4   1HA   GLY   1          2HA       GLY   1 -22.110 -10.657 -16.499
    5   2HA   GLY   1          1HA       GLY   1 -21.697 -10.300 -14.825
    6    H    SER   2           H        SER   2 -23.402  -9.166 -14.075
    7    HA   SER   2           HA       SER   2 -24.950  -7.321 -15.439
    8   1HB   SER   2          2HB       SER   2 -24.359  -6.708 -12.594
    9   2HB   SER   2          1HB       SER   2 -25.911  -6.869 -13.417
   10    HG   SER   2           HG       SER   2 -25.505  -9.166 -13.470
   11    HA   PRO   3           HA       PRO   3 -21.883  -3.796 -14.328
   12   1HB   PRO   3          2HB       PRO   3 -19.439  -4.440 -13.357
   13   2HB   PRO   3          1HB       PRO   3 -20.827  -4.126 -12.307
   14   1HG   PRO   3          2HG       PRO   3 -19.665  -6.739 -13.184
   15   2HG   PRO   3          1HG       PRO   3 -20.260  -6.258 -11.585
   16   1HD   PRO   3          2HD       PRO   3 -21.713  -7.762 -13.320
   17   2HD   PRO   3          1HD       PRO   3 -22.449  -6.658 -12.140
   18    H    GLY   4           H        GLY   4 -20.493  -2.904 -15.838
   19   1HA   GLY   4          1HA       GLY   4 -19.784  -4.636 -18.045
   20   2HA   GLY   4          2HA       GLY   4 -19.633  -2.884 -17.999
   21    H    ILE   5           H        ILE   5 -17.561  -3.065 -18.959
   22    HA   ILE   5           HA       ILE   5 -15.502  -4.636 -17.746
   23    HB   ILE   5           HB       ILE   5 -15.424  -2.539 -19.913
   24   1HG1  ILE   5          2HG1      ILE   5 -16.495  -4.678 -20.479
   25   2HG1  ILE   5          1HG1      ILE   5 -14.991  -4.462 -21.367
   26   1HG2  ILE   5          1HG2      ILE   5 -13.207  -2.416 -19.804
   27   2HG2  ILE   5          2HG2      ILE   5 -13.271  -3.331 -18.298
   28   3HG2  ILE   5          3HG2      ILE   5 -13.067  -4.175 -19.833
   29   1HD1  ILE   5          1HD1      ILE   5 -13.984  -5.846 -19.395
   30   2HD1  ILE   5          2HD1      ILE   5 -15.656  -6.373 -19.193
   31   3HD1  ILE   5          3HD1      ILE   5 -14.826  -6.642 -20.725
   32    H    GLN   6           H        GLN   6 -14.917  -4.108 -15.779
   33    HA   GLN   6           HA       GLN   6 -13.665  -1.506 -15.365
   34   1HB   GLN   6          2HB       GLN   6 -16.072  -2.483 -13.960
   35   2HB   GLN   6          1HB       GLN   6 -14.802  -1.859 -12.917
   36   1HG   GLN   6          2HG       GLN   6 -15.430   0.206 -13.356
   37   2HG   GLN   6          1HG       GLN   6 -15.118  -0.053 -15.071
   38   1HE2  GLN   6          1HE2      GLN   6 -17.251  -2.257 -14.876
   39   2HE2  GLN   6          2HE2      GLN   6 -18.742  -1.383 -15.011
   40    H    SER   7           H        SER   7 -11.625  -2.075 -14.916
   41    HA   SER   7           HA       SER   7 -11.013  -4.614 -13.722
   42   1HB   SER   7          2HB       SER   7  -8.745  -2.872 -13.757
   43   2HB   SER   7          1HB       SER   7  -9.074  -4.274 -14.776
   44    HG   SER   7           HG       SER   7  -9.112  -2.783 -16.280
   45    H    PHE   8           H        PHE   8 -11.243  -4.954 -11.632
   46    HA   PHE   8           HA       PHE   8 -10.691  -2.761  -9.760
   47   1HB   PHE   8          2HB       PHE   8 -12.193  -5.362  -9.434
   48   2HB   PHE   8          1HB       PHE   8 -11.783  -4.315  -8.078
   49    HD1  PHE   8           1HD      PHE   8 -14.046  -4.908 -10.813
   50    HD2  PHE   8           2HD      PHE   8 -12.726  -2.006  -7.993
   51    HE1  PHE   8           1HE      PHE   8 -16.095  -3.605 -11.202
   52    HE2  PHE   8           2HE      PHE   8 -14.774  -0.698  -8.377
   53    HZ   PHE   8           HZ       PHE   8 -16.460  -1.496  -9.982
   54    H    LEU   9           H        LEU   9 -10.530  -5.543  -8.048
   55    HA   LEU   9           HA       LEU   9  -7.698  -6.045  -8.549
   56   1HB   LEU   9          2HB       LEU   9  -8.688  -5.854  -5.734
   57   2HB   LEU   9          1HB       LEU   9  -7.055  -5.721  -6.343
   58    HG   LEU   9           HG       LEU   9  -8.867  -3.589  -7.232
   59   1HD1  LEU   9          1HD1      LEU   9  -9.784  -3.520  -5.121
   60   2HD1  LEU   9          2HD1      LEU   9  -8.312  -4.108  -4.349
   61   3HD1  LEU   9          3HD1      LEU   9  -8.394  -2.448  -4.942
   62   1HD2  LEU   9          1HD2      LEU   9  -6.682  -3.216  -7.822
   63   2HD2  LEU   9          2HD2      LEU   9  -6.788  -2.315  -6.307
   64   3HD2  LEU   9          3HD2      LEU   9  -6.048  -3.916  -6.331
   65    HA   PRO  10           HA       PRO  10  -8.744 -10.316  -7.891
   66   1HB   PRO  10          2HB       PRO  10  -6.368 -10.573  -6.147
   67   2HB   PRO  10          1HB       PRO  10  -6.755 -11.418  -7.650
   68   1HG   PRO  10          2HG       PRO  10  -4.856  -9.537  -7.569
   69   2HG   PRO  10          1HG       PRO  10  -5.918  -9.719  -8.977
   70   1HD   PRO  10          2HD       PRO  10  -6.035  -7.705  -6.764
   71   2HD   PRO  10          1HD       PRO  10  -6.306  -7.486  -8.503
   72    HA   PRO  11           HA       PRO  11 -11.026 -10.692  -4.114
   73   1HB   PRO  11          2HB       PRO  11  -9.921 -13.468  -4.080
   74   2HB   PRO  11          1HB       PRO  11 -11.592 -12.922  -3.888
   75   1HG   PRO  11          2HG       PRO  11 -10.786 -13.978  -6.186
   76   2HG   PRO  11          1HG       PRO  11 -11.880 -12.582  -6.171
   77   1HD   PRO  11          2HD       PRO  11  -8.964 -12.703  -6.788
   78   2HD   PRO  11          1HD       PRO  11 -10.225 -11.659  -7.478
   79    H    GLY  12           H        GLY  12 -10.303  -9.762  -2.304
   80   1HA   GLY  12          1HA       GLY  12  -9.200 -10.358  -0.152
   81   2HA   GLY  12          2HA       GLY  12  -7.804 -10.811  -1.118
   82    H    TRP  13           H        TRP  13  -8.403  -8.399  -2.898
   83    HA   TRP  13           HA       TRP  13  -6.746  -6.592  -1.365
   84   1HB   TRP  13          2HB       TRP  13  -7.732  -6.616  -4.198
   85   2HB   TRP  13          1HB       TRP  13  -6.921  -5.206  -3.524
   86    HD1  TRP  13           HD       TRP  13  -6.274  -8.800  -4.611
   87    HE1  TRP  13           1HE      TRP  13  -3.737  -9.167  -4.814
   88    HE3  TRP  13           3HE      TRP  13  -4.667  -4.382  -2.617
   89    HZ2  TRP  13           2HZ      TRP  13  -1.370  -7.772  -4.184
   90    HZ3  TRP  13           3HZ      TRP  13  -2.249  -3.979  -2.447
   91    HH2  TRP  13           HH       TRP  13  -0.633  -5.639  -3.216
   92    H    GLU  14           H        GLU  14  -7.341  -4.817  -0.352
   93    HA   GLU  14           HA       GLU  14 -10.049  -3.747  -0.818
   94   1HB   GLU  14          2HB       GLU  14  -9.383  -5.121   1.407
   95   2HB   GLU  14          1HB       GLU  14  -8.893  -3.506   1.898
   96   1HG   GLU  14          2HG       GLU  14 -11.081  -2.666   1.631
   97   2HG   GLU  14          1HG       GLU  14 -11.610  -4.121   0.790
   98    H    MET  15           H        MET  15  -9.857  -1.737  -1.611
   99    HA   MET  15           HA       MET  15  -7.483  -0.182  -0.893
  100   1HB   MET  15          2HB       MET  15  -7.857   1.160  -2.800
  101   2HB   MET  15          1HB       MET  15  -8.125  -0.500  -3.308
  102   1HG   MET  15          2HG       MET  15 -10.562   0.831  -2.432
  103   2HG   MET  15          1HG       MET  15  -9.769   1.638  -3.785
  104   1HE   MET  15          1HE       MET  15 -11.805  -0.045  -6.355
  105   2HE   MET  15          2HE       MET  15 -12.384   0.883  -4.972
  106   3HE   MET  15          3HE       MET  15 -10.902   1.363  -5.797
  107    H    ARG  16           H        ARG  16  -7.509   1.598   0.270
  108    HA   ARG  16           HA       ARG  16 -10.057   2.962   0.793
  109   1HB   ARG  16          2HB       ARG  16  -8.063   2.004   2.847
  110   2HB   ARG  16          1HB       ARG  16  -9.186   3.314   3.179
  111   1HG   ARG  16          2HG       ARG  16 -10.747   1.852   3.722
  112   2HG   ARG  16          1HG       ARG  16 -10.670   1.154   2.103
  113   1HD   ARG  16          2HD       ARG  16 -10.123  -0.693   3.317
  114   2HD   ARG  16          1HD       ARG  16  -8.512  -0.009   3.110
  115    HE   ARG  16           HE       ARG  16  -8.854   1.003   5.371
  116   1HH1  ARG  16          2HH1      ARG  16 -10.522  -1.927   4.444
  117   2HH1  ARG  16          1HH1      ARG  16 -10.776  -2.447   6.076
  118   1HH2  ARG  16          2HH2      ARG  16  -9.165   0.313   7.516
  119   2HH2  ARG  16          1HH2      ARG  16  -9.990  -1.189   7.825
  120    H    ILE  17           H        ILE  17  -9.829   5.220   1.031
  121    HA   ILE  17           HA       ILE  17  -7.299   6.168  -0.089
  122    HB   ILE  17           HB       ILE  17  -9.540   8.059   0.394
  123   1HG1  ILE  17          2HG1      ILE  17 -10.574   5.921  -0.499
  124   2HG1  ILE  17          1HG1      ILE  17 -10.820   7.353  -1.491
  125   1HG2  ILE  17          1HG2      ILE  17  -8.757   9.028  -1.670
  126   2HG2  ILE  17          2HG2      ILE  17  -7.386   8.740  -0.596
  127   3HG2  ILE  17          3HG2      ILE  17  -7.693   7.649  -1.949
  128   1HD1  ILE  17          1HD1      ILE  17  -8.785   6.535  -2.819
  129   2HD1  ILE  17          2HD1      ILE  17  -9.047   4.996  -1.999
  130   3HD1  ILE  17          3HD1      ILE  17 -10.313   5.678  -3.019
  131    H    ALA  18           H        ALA  18  -5.777   6.800   1.265
  132    HA   ALA  18           HA       ALA  18  -6.406   7.727   3.928
  133   1HB   ALA  18          1HB       ALA  18  -3.650   8.103   3.164
  134   2HB   ALA  18          2HB       ALA  18  -4.340   7.044   4.394
  135   3HB   ALA  18          3HB       ALA  18  -4.210   6.489   2.725
  136    HA   PRO  19           HA       PRO  19  -6.827  11.962   3.160
  137   1HB   PRO  19          2HB       PRO  19  -5.573  13.093   5.313
  138   2HB   PRO  19          1HB       PRO  19  -7.169  12.337   5.365
  139   1HG   PRO  19          2HG       PRO  19  -4.512  11.206   6.137
  140   2HG   PRO  19          1HG       PRO  19  -6.075  11.064   6.965
  141   1HD   PRO  19          2HD       PRO  19  -5.090   9.071   5.456
  142   2HD   PRO  19          1HD       PRO  19  -6.831   9.417   5.522
  143    H    ASN  20           H        ASN  20  -3.658  10.691   3.081
  144    HA   ASN  20           HA       ASN  20  -2.388  13.231   2.510
  145   1HB   ASN  20          2HB       ASN  20  -0.797  11.100   1.488
  146   2HB   ASN  20          1HB       ASN  20  -0.494  12.105   2.894
  147   1HD2  ASN  20          1HD2      ASN  20  -0.119  11.000   4.653
  148   2HD2  ASN  20          2HD2      ASN  20  -0.785   9.451   5.051
  149    H    GLY  21           H        GLY  21  -4.416  11.170   0.883
  150   1HA   GLY  21          1HA       GLY  21  -5.298  11.834  -1.237
  151   2HA   GLY  21          2HA       GLY  21  -3.715  12.480  -1.656
  152    H    ARG  22           H        ARG  22  -3.296   9.600  -0.103
  153    HA   ARG  22           HA       ARG  22  -2.962   8.228  -2.671
  154   1HB   ARG  22          2HB       ARG  22  -1.646   6.879  -0.508
  155   2HB   ARG  22          1HB       ARG  22  -0.961   7.539  -1.982
  156   1HG   ARG  22          2HG       ARG  22  -1.304   9.788  -0.501
  157   2HG   ARG  22          1HG       ARG  22  -0.945   8.592   0.745
  158   1HD   ARG  22          2HD       ARG  22   1.025   7.890  -0.667
  159   2HD   ARG  22          1HD       ARG  22   0.721   9.317  -1.657
  160    HE   ARG  22           HE       ARG  22   1.164  10.665   0.330
  161   1HH1  ARG  22          2HH1      ARG  22   2.215   7.327   0.355
  162   2HH1  ARG  22          1HH1      ARG  22   3.449   7.576   1.551
  163   1HH2  ARG  22          2HH2      ARG  22   2.787  11.012   1.913
  164   2HH2  ARG  22          1HH2      ARG  22   3.793   9.683   2.421
  165    HA   PRO  23           HA       PRO  23  -6.163   5.388  -1.142
  166   1HB   PRO  23          2HB       PRO  23  -5.707   4.309  -3.851
  167   2HB   PRO  23          1HB       PRO  23  -7.219   4.789  -3.079
  168   1HG   PRO  23          2HG       PRO  23  -6.121   6.248  -5.044
  169   2HG   PRO  23          1HG       PRO  23  -6.977   7.010  -3.689
  170   1HD   PRO  23          2HD       PRO  23  -4.031   6.738  -4.157
  171   2HD   PRO  23          1HD       PRO  23  -4.948   8.113  -3.504
  172    H    PHE  24           H        PHE  24  -5.372   3.763   0.074
  173    HA   PHE  24           HA       PHE  24  -3.022   2.336  -0.952
  174   1HB   PHE  24          2HB       PHE  24  -2.337   1.850   1.242
  175   2HB   PHE  24          1HB       PHE  24  -2.871   3.519   1.305
  176    HD1  PHE  24           1HD      PHE  24  -4.818   4.156   2.553
  177    HD2  PHE  24           2HD      PHE  24  -3.581   0.085   2.372
  178    HE1  PHE  24           1HE      PHE  24  -6.274   3.630   4.460
  179    HE2  PHE  24           2HE      PHE  24  -5.033  -0.449   4.276
  180    HZ   PHE  24           HZ       PHE  24  -6.392   1.325   5.327
  181    H    PHE  25           H        PHE  25  -2.997   0.193  -1.140
  182    HA   PHE  25           HA       PHE  25  -5.617  -1.123  -0.991
  183   1HB   PHE  25          2HB       PHE  25  -3.271  -1.675  -2.822
  184   2HB   PHE  25          1HB       PHE  25  -4.767  -2.600  -2.797
  185    HD1  PHE  25           1HD      PHE  25  -6.456  -2.030  -4.254
  186    HD2  PHE  25           2HD      PHE  25  -3.551   0.897  -3.230
  187    HE1  PHE  25           1HE      PHE  25  -7.466  -0.465  -5.858
  188    HE2  PHE  25           2HE      PHE  25  -4.552   2.463  -4.836
  189    HZ   PHE  25           HZ       PHE  25  -6.522   1.786  -6.149
  190    H    ILE  26           H        ILE  26  -5.756  -2.326   0.702
  191    HA   ILE  26           HA       ILE  26  -3.374  -3.642   1.723
  192    HB   ILE  26           HB       ILE  26  -4.928  -2.327   3.217
  193   1HG1  ILE  26          2HG1      ILE  26  -3.267  -4.261   3.767
  194   2HG1  ILE  26          1HG1      ILE  26  -4.287  -3.569   5.018
  195   1HG2  ILE  26          1HG2      ILE  26  -6.823  -4.371   2.336
  196   2HG2  ILE  26          2HG2      ILE  26  -6.788  -4.087   4.077
  197   3HG2  ILE  26          3HG2      ILE  26  -7.099  -2.748   2.971
  198   1HD1  ILE  26          1HD1      ILE  26  -4.760  -6.146   3.538
  199   2HD1  ILE  26          2HD1      ILE  26  -4.242  -5.967   5.215
  200   3HD1  ILE  26          3HD1      ILE  26  -5.856  -5.446   4.732
  201    H    ASP  27           H        ASP  27  -2.923  -5.641   1.212
  202    HA   ASP  27           HA       ASP  27  -4.946  -7.277  -0.106
  203   1HB   ASP  27          2HB       ASP  27  -2.852  -7.335  -1.233
  204   2HB   ASP  27          1HB       ASP  27  -1.969  -7.584   0.272
  205    H    HIS  28           H        HIS  28  -6.126  -8.667   0.996
  206    HA   HIS  28           HA       HIS  28  -5.489  -9.141   3.778
  207   1HB   HIS  28          2HB       HIS  28  -7.887  -9.707   2.054
  208   2HB   HIS  28          1HB       HIS  28  -7.743 -10.392   3.672
  209    HD1  HIS  28           1HD      HIS  28  -7.507  -8.594   5.653
  210    HD2  HIS  28           2HD      HIS  28  -8.800  -7.115   1.987
  211    HE1  HIS  28           1HE      HIS  28  -8.421  -6.295   6.125
  212    HE2  HIS  28           2HE      HIS  28  -9.413  -5.532   3.939
  213    H    ASN  29           H        ASN  29  -4.694 -10.653   0.926
  214    HA   ASN  29           HA       ASN  29  -4.896 -13.379   1.808
  215   1HB   ASN  29          2HB       ASN  29  -3.387 -12.098  -0.481
  216   2HB   ASN  29          1HB       ASN  29  -3.469 -13.832  -0.200
  217   1HD2  ASN  29          1HD2      ASN  29  -5.018 -11.082  -1.468
  218   2HD2  ASN  29          2HD2      ASN  29  -6.443 -11.880  -2.060
  219    H    THR  30           H        THR  30  -2.160 -11.171   1.189
  220    HA   THR  30           HA       THR  30  -0.406 -12.866   2.786
  221    HB   THR  30           HB       THR  30   1.394 -11.383   2.061
  222    HG1  THR  30           1HG      THR  30  -0.604  -9.903   0.648
  223   1HG2  THR  30          1HG2      THR  30  -0.527 -12.295  -0.070
  224   2HG2  THR  30          2HG2      THR  30   0.942 -13.094   0.496
  225   3HG2  THR  30          3HG2      THR  30   1.056 -11.614  -0.457
  226    H    LYS  31           H        LYS  31  -2.499 -10.324   3.281
  227    HA   LYS  31           HA       LYS  31  -2.946  -8.896   4.969
  228   1HB   LYS  31          2HB       LYS  31  -1.364 -11.025   6.279
  229   2HB   LYS  31          1HB       LYS  31  -1.505  -9.514   7.167
  230   1HG   LYS  31          2HG       LYS  31  -3.727  -9.770   7.535
  231   2HG   LYS  31          1HG       LYS  31  -3.989 -10.645   6.025
  232   1HD   LYS  31          2HD       LYS  31  -3.775 -12.620   7.039
  233   2HD   LYS  31          1HD       LYS  31  -2.276 -12.125   7.827
  234   1HE   LYS  31          2HE       LYS  31  -4.874 -11.081   8.854
  235   2HE   LYS  31          1HE       LYS  31  -4.403 -12.735   9.240
  236   1HZ   LYS  31          1HZ       LYS  31  -3.690 -11.189  10.952
  237   2HZ   LYS  31          2HZ       LYS  31  -2.799 -10.300   9.818
  238   3HZ   LYS  31          3HZ       LYS  31  -2.344 -11.892  10.190
  239    H    THR  32           H        THR  32  -1.384  -7.773   3.202
  240    HA   THR  32           HA       THR  32   0.556  -6.256   4.813
  241    HB   THR  32           HB       THR  32   1.066  -6.528   1.900
  242    HG1  THR  32           1HG      THR  32   0.909  -8.693   2.290
  243   1HG2  THR  32          1HG2      THR  32   3.300  -6.153   2.489
  244   2HG2  THR  32          2HG2      THR  32   3.040  -6.669   4.155
  245   3HG2  THR  32          3HG2      THR  32   2.387  -5.129   3.599
  246    H    THR  33           H        THR  33   0.792  -4.064   4.263
  247    HA   THR  33           HA       THR  33  -1.518  -2.965   2.802
  248    HB   THR  33           HB       THR  33  -0.248  -0.912   4.266
  249    HG1  THR  33           1HG      THR  33  -0.842  -2.305   6.387
  250   1HG2  THR  33          1HG2      THR  33  -2.456  -1.491   5.727
  251   2HG2  THR  33          2HG2      THR  33  -2.834  -2.306   4.210
  252   3HG2  THR  33          3HG2      THR  33  -2.476  -0.579   4.216
  253    H    THR  34           H        THR  34  -1.047  -2.322   0.846
  254    HA   THR  34           HA       THR  34   1.529  -0.981   0.358
  255    HB   THR  34           HB       THR  34   0.662  -3.196  -0.917
  256    HG1  THR  34           1HG      THR  34   2.378  -1.129  -1.551
  257   1HG2  THR  34          1HG2      THR  34  -0.266  -2.650  -3.091
  258   2HG2  THR  34          2HG2      THR  34  -0.312  -0.937  -2.669
  259   3HG2  THR  34          3HG2      THR  34  -1.341  -2.087  -1.811
  260    H    TRP  35           H        TRP  35   1.422   0.931  -1.039
  261    HA   TRP  35           HA       TRP  35  -1.094   2.372  -0.719
  262   1HB   TRP  35          2HB       TRP  35   1.598   3.232  -1.794
  263   2HB   TRP  35          1HB       TRP  35   0.193   4.284  -1.709
  264    HD1  TRP  35           HD       TRP  35   3.073   3.059   0.261
  265    HE1  TRP  35           1HE      TRP  35   3.010   4.047   2.613
  266    HE3  TRP  35           3HE      TRP  35  -1.677   4.919   0.213
  267    HZ2  TRP  35           2HZ      TRP  35   1.161   5.440   4.267
  268    HZ3  TRP  35           3HZ      TRP  35  -2.520   6.053   2.210
  269    HH2  TRP  35           HH       TRP  35  -1.133   6.311   4.192
  270    H    GLU  36           H        GLU  36   1.211   2.182  -3.339
  271    HA   GLU  36           HA       GLU  36  -0.701   2.973  -5.270
  272   1HB   GLU  36          2HB       GLU  36   1.960   1.795  -5.976
  273   2HB   GLU  36          1HB       GLU  36   1.116   3.160  -6.703
  274   1HG   GLU  36          2HG       GLU  36   1.653   4.575  -4.844
  275   2HG   GLU  36          1HG       GLU  36   2.300   3.222  -3.921
  276    H    ASP  37           H        ASP  37  -1.898   1.753  -6.630
  277    HA   ASP  37           HA       ASP  37  -2.471  -0.844  -5.846
  278   1HB   ASP  37          2HB       ASP  37  -3.692  -0.758  -8.178
  279   2HB   ASP  37          1HB       ASP  37  -4.312   0.104  -6.791
  280    HA   PRO  38           HA       PRO  38   0.265  -3.255  -8.263
  281   1HB   PRO  38          2HB       PRO  38  -1.003  -5.636  -8.108
  282   2HB   PRO  38          1HB       PRO  38  -0.203  -4.893  -6.722
  283   1HG   PRO  38          2HG       PRO  38  -3.089  -5.133  -7.330
  284   2HG   PRO  38          1HG       PRO  38  -2.272  -5.023  -5.765
  285   1HD   PRO  38          2HD       PRO  38  -3.599  -2.942  -7.147
  286   2HD   PRO  38          1HD       PRO  38  -2.598  -2.782  -5.695
  287    H    ARG  39           H        ARG  39  -2.337  -1.993  -9.513
  288    HA   ARG  39           HA       ARG  39  -2.656  -3.725 -11.827
  289   1HB   ARG  39          2HB       ARG  39  -3.925  -1.024 -11.432
  290   2HB   ARG  39          1HB       ARG  39  -4.489  -2.355 -12.431
  291   1HG   ARG  39          2HG       ARG  39  -5.235  -3.578 -10.576
  292   2HG   ARG  39          1HG       ARG  39  -4.316  -2.583  -9.446
  293   1HD   ARG  39          2HD       ARG  39  -6.873  -1.983 -10.864
  294   2HD   ARG  39          1HD       ARG  39  -6.471  -1.800  -9.158
  295    HE   ARG  39           HE       ARG  39  -4.957   0.089 -10.004
  296   1HH1  ARG  39          2HH1      ARG  39  -7.993  -0.829 -11.500
  297   2HH1  ARG  39          1HH1      ARG  39  -8.296   0.750 -12.162
  298   1HH2  ARG  39          2HH2      ARG  39  -5.367   2.173 -10.840
  299   2HH2  ARG  39          1HH2      ARG  39  -6.804   2.458 -11.772
  300    H    LEU  40           H        LEU  40  -0.885  -0.984 -10.804
  301    HA   LEU  40           HA       LEU  40  -0.289  -0.110 -13.519
  302   1HB   LEU  40          2HB       LEU  40   1.122   0.961 -11.115
  303   2HB   LEU  40          1HB       LEU  40   0.667   1.781 -12.596
  304    HG   LEU  40           HG       LEU  40  -1.589   0.874 -10.935
  305   1HD1  LEU  40          1HD1      LEU  40  -0.633   3.370  -9.876
  306   2HD1  LEU  40          2HD1      LEU  40  -1.101   1.893  -9.031
  307   3HD1  LEU  40          3HD1      LEU  40   0.552   2.089  -9.619
  308   1HD2  LEU  40          1HD2      LEU  40  -1.942   2.189 -12.928
  309   2HD2  LEU  40          2HD2      LEU  40  -2.398   3.135 -11.512
  310   3HD2  LEU  40          3HD2      LEU  40  -0.866   3.449 -12.327
  311    H    LYS  41           H        LYS  41   1.174  -1.788 -10.819
  312    HA   LYS  41           HA       LYS  41   3.214  -2.863 -12.561
  313   1HB   LYS  41          2HB       LYS  41   5.012  -2.295 -10.846
  314   2HB   LYS  41          1HB       LYS  41   4.447  -0.971 -11.854
  315   1HG   LYS  41          2HG       LYS  41   3.026  -0.174 -10.044
  316   2HG   LYS  41          1HG       LYS  41   3.557  -1.521  -9.031
  317   1HD   LYS  41          2HD       LYS  41   5.942  -0.475  -9.762
  318   2HD   LYS  41          1HD       LYS  41   4.941   0.980  -9.743
  319   1HE   LYS  41          2HE       LYS  41   5.078  -0.996  -7.470
  320   2HE   LYS  41          1HE       LYS  41   6.095   0.442  -7.576
  321   1HZ   LYS  41          1HZ       LYS  41   3.504   1.307  -7.994
  322   2HZ   LYS  41          2HZ       LYS  41   4.447   1.552  -6.607
  323   3HZ   LYS  41          3HZ       LYS  41   3.410   0.213  -6.700
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1 -16.571 -10.418 -24.516
    2   2H    GLY   1          2H        GLY   1 -14.892 -10.331 -24.748
    3   3H    GLY   1          3H        GLY   1 -15.640  -9.358 -23.579
    4   1HA   GLY   1          2HA       GLY   1 -15.935 -12.261 -23.374
    5   2HA   GLY   1          1HA       GLY   1 -14.403 -11.537 -22.898
    6    H    SER   2           H        SER   2 -14.673  -9.557 -21.447
    7    HA   SER   2           HA       SER   2 -15.789 -10.320 -19.033
    8   1HB   SER   2          2HB       SER   2 -15.584  -7.417 -19.418
    9   2HB   SER   2          1HB       SER   2 -14.765  -8.464 -18.259
   10    HG   SER   2           HG       SER   2 -13.127  -8.703 -19.586
   11    HA   PRO   3           HA       PRO   3 -20.068  -9.085 -19.639
   12   1HB   PRO   3          2HB       PRO   3 -20.664 -10.168 -17.053
   13   2HB   PRO   3          1HB       PRO   3 -21.000 -10.878 -18.630
   14   1HG   PRO   3          2HG       PRO   3 -19.202 -11.900 -16.799
   15   2HG   PRO   3          1HG       PRO   3 -19.173 -12.231 -18.539
   16   1HD   PRO   3          2HD       PRO   3 -17.537 -10.295 -16.951
   17   2HD   PRO   3          1HD       PRO   3 -17.055 -11.329 -18.316
   18    H    GLY   4           H        GLY   4 -19.726  -9.113 -16.153
   19   1HA   GLY   4          1HA       GLY   4 -20.456  -6.318 -15.998
   20   2HA   GLY   4          2HA       GLY   4 -20.197  -7.411 -14.645
   21    H    ILE   5           H        ILE   5 -18.798  -5.053 -16.717
   22    HA   ILE   5           HA       ILE   5 -16.066  -5.589 -16.046
   23    HB   ILE   5           HB       ILE   5 -16.088  -2.978 -16.944
   24   1HG1  ILE   5          2HG1      ILE   5 -18.096  -4.455 -18.639
   25   2HG1  ILE   5          1HG1      ILE   5 -18.597  -3.372 -17.343
   26   1HG2  ILE   5          1HG2      ILE   5 -14.790  -5.120 -17.610
   27   2HG2  ILE   5          2HG2      ILE   5 -16.022  -5.267 -18.860
   28   3HG2  ILE   5          3HG2      ILE   5 -15.001  -3.833 -18.795
   29   1HD1  ILE   5          1HD1      ILE   5 -18.030  -1.519 -18.496
   30   2HD1  ILE   5          2HD1      ILE   5 -16.652  -2.292 -19.278
   31   3HD1  ILE   5          3HD1      ILE   5 -18.287  -2.590 -19.874
   32    H    GLN   6           H        GLN   6 -16.688  -5.620 -13.687
   33    HA   GLN   6           HA       GLN   6 -15.915  -3.014 -12.582
   34   1HB   GLN   6          2HB       GLN   6 -18.394  -4.344 -12.138
   35   2HB   GLN   6          1HB       GLN   6 -17.464  -4.422 -10.646
   36   1HG   GLN   6          2HG       GLN   6 -17.657  -1.826 -12.081
   37   2HG   GLN   6          1HG       GLN   6 -19.045  -2.398 -11.159
   38   1HE2  GLN   6          1HE2      GLN   6 -19.125  -1.548  -9.223
   39   2HE2  GLN   6          2HE2      GLN   6 -17.770  -1.172  -8.202
   40    H    SER   7           H        SER   7 -14.019  -4.676 -13.167
   41    HA   SER   7           HA       SER   7 -13.389  -6.168 -10.712
   42   1HB   SER   7          2HB       SER   7 -11.664  -6.830 -12.934
   43   2HB   SER   7          1HB       SER   7 -12.723  -7.882 -11.995
   44    HG   SER   7           HG       SER   7 -13.538  -6.233 -14.172
   45    H    PHE   8           H        PHE   8 -12.232  -4.827  -9.471
   46    HA   PHE   8           HA       PHE   8 -10.282  -3.031 -10.674
   47   1HB   PHE   8          2HB       PHE   8 -11.839  -3.025  -8.277
   48   2HB   PHE   8          1HB       PHE   8 -10.141  -2.977  -7.823
   49    HD1  PHE   8           1HD      PHE   8  -8.884  -1.016  -8.042
   50    HD2  PHE   8           2HD      PHE   8 -12.728  -1.278  -9.851
   51    HE1  PHE   8           1HE      PHE   8  -8.816   1.395  -8.521
   52    HE2  PHE   8           2HE      PHE   8 -12.668   1.135 -10.331
   53    HZ   PHE   8           HZ       PHE   8 -10.714   2.476  -9.670
   54    H    LEU   9           H        LEU   9  -9.817  -4.692  -7.610
   55    HA   LEU   9           HA       LEU   9  -7.312  -5.812  -8.677
   56   1HB   LEU   9          2HB       LEU   9  -7.852  -5.464  -5.746
   57   2HB   LEU   9          1HB       LEU   9  -6.318  -5.527  -6.586
   58    HG   LEU   9           HG       LEU   9  -7.752  -3.237  -7.515
   59   1HD1  LEU   9          1HD1      LEU   9  -7.662  -3.589  -4.537
   60   2HD1  LEU   9          2HD1      LEU   9  -7.631  -1.993  -5.294
   61   3HD1  LEU   9          3HD1      LEU   9  -9.011  -3.068  -5.546
   62   1HD2  LEU   9          1HD2      LEU   9  -5.741  -2.128  -6.412
   63   2HD2  LEU   9          2HD2      LEU   9  -5.223  -3.763  -6.001
   64   3HD2  LEU   9          3HD2      LEU   9  -5.425  -3.302  -7.691
   65    HA   PRO  10           HA       PRO  10  -8.569  -9.972  -7.888
   66   1HB   PRO  10          2HB       PRO  10  -6.368 -10.306  -5.921
   67   2HB   PRO  10          1HB       PRO  10  -6.725 -11.241  -7.375
   68   1HG   PRO  10          2HG       PRO  10  -4.686  -9.525  -7.317
   69   2HG   PRO  10          1HG       PRO  10  -5.681  -9.719  -8.773
   70   1HD   PRO  10          2HD       PRO  10  -5.703  -7.532  -6.741
   71   2HD   PRO  10          1HD       PRO  10  -5.926  -7.442  -8.499
   72    HA   PRO  11           HA       PRO  11 -11.247  -9.780  -4.355
   73   1HB   PRO  11          2HB       PRO  11 -10.912 -12.746  -4.398
   74   2HB   PRO  11          1HB       PRO  11 -12.393 -11.784  -4.340
   75   1HG   PRO  11          2HG       PRO  11 -11.622 -12.954  -6.599
   76   2HG   PRO  11          1HG       PRO  11 -12.342 -11.333  -6.618
   77   1HD   PRO  11          2HD       PRO  11  -9.491 -12.151  -6.949
   78   2HD   PRO  11          1HD       PRO  11 -10.379 -10.811  -7.703
   79    H    GLY  12           H        GLY  12 -10.385  -9.086  -2.516
   80   1HA   GLY  12          1HA       GLY  12  -9.522 -10.039  -0.331
   81   2HA   GLY  12          2HA       GLY  12  -8.192 -10.649  -1.308
   82    H    TRP  13           H        TRP  13  -8.303  -8.202  -3.005
   83    HA   TRP  13           HA       TRP  13  -6.656  -6.515  -1.312
   84   1HB   TRP  13          2HB       TRP  13  -7.321  -6.528  -4.245
   85   2HB   TRP  13          1HB       TRP  13  -6.450  -5.192  -3.501
   86    HD1  TRP  13           HD       TRP  13  -6.055  -8.943  -4.268
   87    HE1  TRP  13           1HE      TRP  13  -3.552  -9.503  -4.228
   88    HE3  TRP  13           3HE      TRP  13  -4.246  -4.461  -2.598
   89    HZ2  TRP  13           2HZ      TRP  13  -1.126  -8.222  -3.556
   90    HZ3  TRP  13           3HZ      TRP  13  -1.823  -4.214  -2.281
   91    HH2  TRP  13           HH       TRP  13  -0.292  -6.056  -2.753
   92    H    GLU  14           H        GLU  14  -7.350  -4.768  -0.288
   93    HA   GLU  14           HA       GLU  14  -9.938  -3.636  -1.122
   94   1HB   GLU  14          2HB       GLU  14  -9.771  -4.846   1.136
   95   2HB   GLU  14          1HB       GLU  14  -8.828  -3.460   1.666
   96   1HG   GLU  14          2HG       GLU  14 -10.620  -2.116   1.783
   97   2HG   GLU  14          1HG       GLU  14 -11.382  -2.831   0.365
   98    H    MET  15           H        MET  15  -9.612  -1.787  -2.141
   99    HA   MET  15           HA       MET  15  -7.393  -0.071  -1.580
  100   1HB   MET  15          2HB       MET  15  -8.486   1.483  -3.167
  101   2HB   MET  15          1HB       MET  15  -8.297  -0.133  -3.830
  102   1HG   MET  15          2HG       MET  15 -10.858   0.765  -2.561
  103   2HG   MET  15          1HG       MET  15 -10.489   1.095  -4.252
  104   1HE   MET  15          1HE       MET  15 -12.621  -1.702  -5.430
  105   2HE   MET  15          2HE       MET  15 -13.099  -0.443  -4.289
  106   3HE   MET  15          3HE       MET  15 -12.005  -0.059  -5.620
  107    H    ARG  16           H        ARG  16  -7.259   1.207   0.114
  108    HA   ARG  16           HA       ARG  16  -9.730   2.473   1.119
  109   1HB   ARG  16          2HB       ARG  16  -7.411   1.252   2.574
  110   2HB   ARG  16          1HB       ARG  16  -8.227   2.631   3.296
  111   1HG   ARG  16          2HG       ARG  16 -10.220   1.469   3.569
  112   2HG   ARG  16          1HG       ARG  16  -9.778   0.242   2.380
  113   1HD   ARG  16          2HD       ARG  16  -9.386  -0.947   4.281
  114   2HD   ARG  16          1HD       ARG  16  -7.809  -0.179   4.107
  115    HE   ARG  16           HE       ARG  16  -8.287   1.202   5.917
  116   1HH1  ARG  16          2HH1      ARG  16 -11.028  -0.836   5.151
  117   2HH1  ARG  16          1HH1      ARG  16 -11.854  -0.497   6.639
  118   1HH2  ARG  16          2HH2      ARG  16  -9.366   1.650   7.868
  119   2HH2  ARG  16          1HH2      ARG  16 -10.911   0.909   8.183
  120    H    ILE  17           H        ILE  17  -9.665   4.678   1.303
  121    HA   ILE  17           HA       ILE  17  -7.309   5.955   0.166
  122    HB   ILE  17           HB       ILE  17  -9.667   7.549   1.052
  123   1HG1  ILE  17          2HG1      ILE  17 -10.589   5.520  -0.096
  124   2HG1  ILE  17          1HG1      ILE  17 -10.940   7.029  -0.927
  125   1HG2  ILE  17          1HG2      ILE  17  -8.503   9.086  -0.031
  126   2HG2  ILE  17          2HG2      ILE  17  -7.362   7.874  -0.617
  127   3HG2  ILE  17          3HG2      ILE  17  -8.834   8.214  -1.529
  128   1HD1  ILE  17          1HD1      ILE  17  -8.582   6.191  -2.081
  129   2HD1  ILE  17          2HD1      ILE  17  -9.482   4.696  -1.834
  130   3HD1  ILE  17          3HD1      ILE  17 -10.199   6.015  -2.761
  131    H    ALA  18           H        ALA  18  -5.734   6.554   1.457
  132    HA   ALA  18           HA       ALA  18  -6.154   6.936   4.281
  133   1HB   ALA  18          1HB       ALA  18  -3.612   7.684   3.956
  134   2HB   ALA  18          2HB       ALA  18  -4.111   5.993   4.018
  135   3HB   ALA  18          3HB       ALA  18  -3.826   6.771   2.461
  136    HA   PRO  19           HA       PRO  19  -7.039  11.172   4.378
  137   1HB   PRO  19          2HB       PRO  19  -5.252  11.536   6.692
  138   2HB   PRO  19          1HB       PRO  19  -7.005  11.714   6.580
  139   1HG   PRO  19          2HG       PRO  19  -5.909   9.641   7.865
  140   2HG   PRO  19          1HG       PRO  19  -7.391   9.452   6.907
  141   1HD   PRO  19          2HD       PRO  19  -4.567   8.746   6.184
  142   2HD   PRO  19          1HD       PRO  19  -6.061   7.818   5.930
  143    H    ASN  20           H        ASN  20  -3.895  10.284   3.608
  144    HA   ASN  20           HA       ASN  20  -2.918  13.027   3.424
  145   1HB   ASN  20          2HB       ASN  20  -1.279  11.322   1.852
  146   2HB   ASN  20          1HB       ASN  20  -0.896  12.051   3.404
  147   1HD2  ASN  20          1HD2      ASN  20  -0.189  10.652   4.822
  148   2HD2  ASN  20          2HD2      ASN  20  -0.687   8.998   4.963
  149    H    GLY  21           H        GLY  21  -4.837  10.893   1.679
  150   1HA   GLY  21          1HA       GLY  21  -6.067  11.706  -0.217
  151   2HA   GLY  21          2HA       GLY  21  -4.653  12.638  -0.685
  152    H    ARG  22           H        ARG  22  -3.764   9.574   0.358
  153    HA   ARG  22           HA       ARG  22  -3.506   8.693  -2.433
  154   1HB   ARG  22          2HB       ARG  22  -1.896   7.257  -0.452
  155   2HB   ARG  22          1HB       ARG  22  -1.435   7.917  -2.012
  156   1HG   ARG  22          2HG       ARG  22  -1.905   9.992  -0.048
  157   2HG   ARG  22          1HG       ARG  22  -0.666   8.844   0.459
  158   1HD   ARG  22          2HD       ARG  22   0.480   9.158  -1.701
  159   2HD   ARG  22          1HD       ARG  22  -0.733  10.356  -2.150
  160    HE   ARG  22           HE       ARG  22   1.331  10.653  -0.089
  161   1HH1  ARG  22          2HH1      ARG  22  -1.225  12.025  -2.056
  162   2HH1  ARG  22          1HH1      ARG  22  -0.902  13.666  -1.561
  163   1HH2  ARG  22          2HH2      ARG  22   1.766  12.794   0.565
  164   2HH2  ARG  22          1HH2      ARG  22   0.811  14.102  -0.074
  165    HA   PRO  23           HA       PRO  23  -6.272   5.242  -1.382
  166   1HB   PRO  23          2HB       PRO  23  -5.399   4.582  -4.147
  167   2HB   PRO  23          1HB       PRO  23  -7.026   4.599  -3.460
  168   1HG   PRO  23          2HG       PRO  23  -6.226   6.524  -5.117
  169   2HG   PRO  23          1HG       PRO  23  -7.249   6.901  -3.716
  170   1HD   PRO  23          2HD       PRO  23  -4.307   7.316  -4.087
  171   2HD   PRO  23          1HD       PRO  23  -5.504   8.351  -3.277
  172    H    PHE  24           H        PHE  24  -5.370   3.665  -0.224
  173    HA   PHE  24           HA       PHE  24  -2.938   2.421  -1.297
  174   1HB   PHE  24          2HB       PHE  24  -2.084   2.044   0.872
  175   2HB   PHE  24          1HB       PHE  24  -2.622   3.711   0.860
  176    HD1  PHE  24           1HD      PHE  24  -4.392   4.448   2.275
  177    HD2  PHE  24           2HD      PHE  24  -3.307   0.333   2.144
  178    HE1  PHE  24           1HE      PHE  24  -5.689   4.042   4.315
  179    HE2  PHE  24           2HE      PHE  24  -4.609  -0.079   4.191
  180    HZ   PHE  24           HZ       PHE  24  -5.803   1.782   5.280
  181    H    PHE  25           H        PHE  25  -2.888   0.264  -1.467
  182    HA   PHE  25           HA       PHE  25  -5.486  -1.047  -1.116
  183   1HB   PHE  25          2HB       PHE  25  -3.189  -2.013  -2.818
  184   2HB   PHE  25          1HB       PHE  25  -4.874  -2.527  -2.882
  185    HD1  PHE  25           1HD      PHE  25  -6.605  -0.952  -3.728
  186    HD2  PHE  25           2HD      PHE  25  -2.444  -0.118  -4.020
  187    HE1  PHE  25           1HE      PHE  25  -7.072   0.770  -5.424
  188    HE2  PHE  25           2HE      PHE  25  -2.905   1.600  -5.717
  189    HZ   PHE  25           HZ       PHE  25  -5.221   2.038  -6.425
  190    H    ILE  26           H        ILE  26  -5.688  -2.177   0.570
  191    HA   ILE  26           HA       ILE  26  -3.335  -3.473   1.696
  192    HB   ILE  26           HB       ILE  26  -4.692  -1.942   3.136
  193   1HG1  ILE  26          2HG1      ILE  26  -3.265  -4.067   3.780
  194   2HG1  ILE  26          1HG1      ILE  26  -4.097  -3.111   4.997
  195   1HG2  ILE  26          1HG2      ILE  26  -6.921  -2.352   2.514
  196   2HG2  ILE  26          2HG2      ILE  26  -6.771  -4.081   2.820
  197   3HG2  ILE  26          3HG2      ILE  26  -6.756  -2.941   4.167
  198   1HD1  ILE  26          1HD1      ILE  26  -5.750  -4.722   5.297
  199   2HD1  ILE  26          2HD1      ILE  26  -5.377  -5.523   3.769
  200   3HD1  ILE  26          3HD1      ILE  26  -4.262  -5.655   5.133
  201    H    ASP  27           H        ASP  27  -3.017  -5.477   1.215
  202    HA   ASP  27           HA       ASP  27  -5.073  -7.139   0.080
  203   1HB   ASP  27          2HB       ASP  27  -3.274  -8.091  -0.848
  204   2HB   ASP  27          1HB       ASP  27  -2.216  -7.104   0.152
  205    H    HIS  28           H        HIS  28  -6.405  -8.432   1.181
  206    HA   HIS  28           HA       HIS  28  -6.056  -8.579   4.071
  207   1HB   HIS  28          2HB       HIS  28  -8.364  -9.072   2.209
  208   2HB   HIS  28          1HB       HIS  28  -8.419  -9.615   3.886
  209    HD1  HIS  28           1HD      HIS  28  -7.699  -7.464   5.607
  210    HD2  HIS  28           2HD      HIS  28  -9.477  -6.630   1.940
  211    HE1  HIS  28           1HE      HIS  28  -8.692  -5.168   5.838
  212    HE2  HIS  28           2HE      HIS  28  -9.997  -4.817   3.709
  213    H    ASN  29           H        ASN  29  -4.896 -10.400   1.677
  214    HA   ASN  29           HA       ASN  29  -5.711 -12.985   2.731
  215   1HB   ASN  29          2HB       ASN  29  -3.926 -12.249   0.399
  216   2HB   ASN  29          1HB       ASN  29  -4.388 -13.884   0.839
  217   1HD2  ASN  29          1HD2      ASN  29  -4.940 -11.699  -1.367
  218   2HD2  ASN  29          2HD2      ASN  29  -6.619 -11.969  -1.700
  219    H    THR  30           H        THR  30  -2.727 -11.171   2.065
  220    HA   THR  30           HA       THR  30  -1.388 -12.790   4.131
  221    HB   THR  30           HB       THR  30   0.741 -12.194   3.022
  222    HG1  THR  30           1HG      THR  30  -0.785 -10.392   1.754
  223   1HG2  THR  30          1HG2      THR  30  -0.218 -14.284   2.419
  224   2HG2  THR  30          2HG2      THR  30   0.298 -13.524   0.914
  225   3HG2  THR  30          3HG2      THR  30  -1.408 -13.512   1.372
  226    H    LYS  31           H        LYS  31  -2.803  -9.893   3.714
  227    HA   LYS  31           HA       LYS  31  -2.879  -7.981   4.912
  228   1HB   LYS  31          2HB       LYS  31  -1.103  -9.525   6.805
  229   2HB   LYS  31          1HB       LYS  31  -1.836  -7.971   7.176
  230   1HG   LYS  31          2HG       LYS  31  -3.687  -8.982   7.848
  231   2HG   LYS  31          1HG       LYS  31  -3.874  -9.741   6.268
  232   1HD   LYS  31          2HD       LYS  31  -2.057 -11.391   7.163
  233   2HD   LYS  31          1HD       LYS  31  -2.588 -10.807   8.741
  234   1HE   LYS  31          2HE       LYS  31  -4.422 -12.065   8.661
  235   2HE   LYS  31          1HE       LYS  31  -4.852 -11.429   7.073
  236   1HZ   LYS  31          1HZ       LYS  31  -4.321 -13.385   6.213
  237   2HZ   LYS  31          2HZ       LYS  31  -3.844 -13.973   7.728
  238   3HZ   LYS  31          3HZ       LYS  31  -2.716 -13.195   6.731
  239    H    THR  32           H        THR  32  -1.591  -7.280   2.962
  240    HA   THR  32           HA       THR  32   0.872  -5.980   3.935
  241    HB   THR  32           HB       THR  32   0.558  -6.268   1.010
  242    HG1  THR  32           1HG      THR  32  -0.081  -8.369   1.819
  243   1HG2  THR  32          1HG2      THR  32   2.594  -5.362   1.489
  244   2HG2  THR  32          2HG2      THR  32   3.046  -7.065   1.547
  245   3HG2  THR  32          3HG2      THR  32   2.719  -6.189   3.041
  246    H    THR  33           H        THR  33   1.215  -3.820   3.213
  247    HA   THR  33           HA       THR  33  -1.221  -2.489   2.216
  248    HB   THR  33           HB       THR  33   0.111  -0.554   3.666
  249    HG1  THR  33           1HG      THR  33   0.094  -2.918   5.276
  250   1HG2  THR  33          1HG2      THR  33  -2.289  -0.862   3.662
  251   2HG2  THR  33          2HG2      THR  33  -1.707  -0.871   5.328
  252   3HG2  THR  33          3HG2      THR  33  -2.129  -2.389   4.533
  253    H    THR  34           H        THR  34  -0.749  -1.881   0.165
  254    HA   THR  34           HA       THR  34   1.783  -0.426  -0.234
  255    HB   THR  34           HB       THR  34   1.877  -2.591  -1.389
  256    HG1  THR  34           1HG      THR  34   2.265  -1.699  -3.536
  257   1HG2  THR  34          1HG2      THR  34   0.386  -3.143  -3.208
  258   2HG2  THR  34          2HG2      THR  34  -0.483  -1.622  -3.003
  259   3HG2  THR  34          3HG2      THR  34  -0.565  -2.858  -1.749
  260    H    TRP  35           H        TRP  35   1.682   1.467  -1.401
  261    HA   TRP  35           HA       TRP  35  -0.964   2.577  -1.884
  262   1HB   TRP  35          2HB       TRP  35   1.630   3.976  -2.480
  263   2HB   TRP  35          1HB       TRP  35   0.076   4.672  -2.053
  264    HD1  TRP  35           HD       TRP  35   3.108   2.953  -0.467
  265    HE1  TRP  35           1HE      TRP  35   3.140   3.501   2.045
  266    HE3  TRP  35           3HE      TRP  35  -1.390   5.359  -0.126
  267    HZ2  TRP  35           2HZ      TRP  35   1.465   4.817   3.919
  268    HZ3  TRP  35           3HZ      TRP  35  -2.099   6.233   2.050
  269    HH2  TRP  35           HH       TRP  35  -0.704   5.973   4.028
  270    H    GLU  36           H        GLU  36   1.591   1.086  -3.521
  271    HA   GLU  36           HA       GLU  36   1.061   2.260  -6.102
  272   1HB   GLU  36          2HB       GLU  36   2.843  -0.074  -5.394
  273   2HB   GLU  36          1HB       GLU  36   2.887   0.878  -6.872
  274   1HG   GLU  36          2HG       GLU  36   3.361   2.106  -4.171
  275   2HG   GLU  36          1HG       GLU  36   4.659   1.371  -5.114
  276    H    ASP  37           H        ASP  37  -0.600   1.655  -7.232
  277    HA   ASP  37           HA       ASP  37  -2.243  -0.530  -6.721
  278   1HB   ASP  37          2HB       ASP  37  -3.184   1.269  -7.911
  279   2HB   ASP  37          1HB       ASP  37  -1.904   1.263  -9.116
  280    HA   PRO  38           HA       PRO  38   0.370  -3.722  -8.346
  281   1HB   PRO  38          2HB       PRO  38  -1.259  -5.810  -7.834
  282   2HB   PRO  38          1HB       PRO  38  -0.376  -4.954  -6.564
  283   1HG   PRO  38          2HG       PRO  38  -3.235  -4.672  -7.399
  284   2HG   PRO  38          1HG       PRO  38  -2.547  -4.736  -5.766
  285   1HD   PRO  38          2HD       PRO  38  -3.260  -2.413  -6.985
  286   2HD   PRO  38          1HD       PRO  38  -1.949  -2.520  -5.795
  287    H    ARG  39           H        ARG  39  -2.234  -2.483  -9.938
  288    HA   ARG  39           HA       ARG  39  -2.169  -4.537 -12.020
  289   1HB   ARG  39          2HB       ARG  39  -3.752  -2.033 -12.346
  290   2HB   ARG  39          1HB       ARG  39  -4.132  -3.674 -12.846
  291   1HG   ARG  39          2HG       ARG  39  -4.018  -3.412  -9.964
  292   2HG   ARG  39          1HG       ARG  39  -5.198  -2.323 -10.694
  293   1HD   ARG  39          2HD       ARG  39  -6.182  -4.472 -10.085
  294   2HD   ARG  39          1HD       ARG  39  -6.252  -4.183 -11.823
  295    HE   ARG  39           HE       ARG  39  -3.933  -5.630 -11.340
  296   1HH1  ARG  39          2HH1      ARG  39  -7.386  -6.091 -10.951
  297   2HH1  ARG  39          1HH1      ARG  39  -7.310  -7.815 -11.203
  298   1HH2  ARG  39          2HH2      ARG  39  -3.819  -7.865 -11.667
  299   2HH2  ARG  39          1HH2      ARG  39  -5.271  -8.834 -11.602
  300    H    LEU  40           H        LEU  40  -1.511  -1.096 -11.472
  301    HA   LEU  40           HA       LEU  40  -0.174  -0.861 -14.040
  302   1HB   LEU  40          2HB       LEU  40  -0.226   1.144 -11.789
  303   2HB   LEU  40          1HB       LEU  40   0.163   1.449 -13.472
  304    HG   LEU  40           HG       LEU  40  -2.551   0.409 -12.755
  305   1HD1  LEU  40          1HD1      LEU  40  -2.253   3.328 -12.949
  306   2HD1  LEU  40          2HD1      LEU  40  -3.325   2.356 -11.943
  307   3HD1  LEU  40          3HD1      LEU  40  -1.645   2.596 -11.465
  308   1HD2  LEU  40          1HD2      LEU  40  -2.999   0.862 -14.889
  309   2HD2  LEU  40          2HD2      LEU  40  -2.325   2.486 -14.755
  310   3HD2  LEU  40          3HD2      LEU  40  -1.268   1.120 -15.115
  311    H    LYS  41           H        LYS  41   0.653  -1.558 -10.766
  312    HA   LYS  41           HA       LYS  41   3.521  -1.388 -11.441
  313   1HB   LYS  41          2HB       LYS  41   2.315  -1.173  -8.677
  314   2HB   LYS  41          1HB       LYS  41   4.001  -0.940  -9.114
  315   1HG   LYS  41          2HG       LYS  41   1.869   0.802 -10.280
  316   2HG   LYS  41          1HG       LYS  41   2.527   1.120  -8.676
  317   1HD   LYS  41          2HD       LYS  41   4.368   2.026  -9.538
  318   2HD   LYS  41          1HD       LYS  41   4.640   0.616 -10.566
  319   1HE   LYS  41          2HE       LYS  41   2.442   2.255 -11.510
  320   2HE   LYS  41          1HE       LYS  41   3.948   3.163 -11.403
  321   1HZ   LYS  41          1HZ       LYS  41   5.027   1.547 -12.788
  322   2HZ   LYS  41          2HZ       LYS  41   3.622   2.087 -13.571
  323   3HZ   LYS  41          3HZ       LYS  41   3.642   0.568 -12.820
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1 -11.028   3.688 -20.652
    2   2H    GLY   1          2H        GLY   1 -11.547   3.513 -19.048
    3   3H    GLY   1          3H        GLY   1 -10.038   4.210 -19.378
    4   1HA   GLY   1          2HA       GLY   1 -11.346   5.967 -20.667
    5   2HA   GLY   1          1HA       GLY   1 -12.729   5.350 -19.769
    6    H    SER   2           H        SER   2 -12.955   7.372 -18.736
    7    HA   SER   2           HA       SER   2 -10.864   8.655 -17.346
    8   1HB   SER   2          2HB       SER   2 -13.568   9.171 -16.329
    9   2HB   SER   2          1HB       SER   2 -12.384  10.284 -17.018
   10    HG   SER   2           HG       SER   2 -14.417   9.854 -18.242
   11    HA   PRO   3           HA       PRO   3 -12.878   6.844 -13.253
   12   1HB   PRO   3          2HB       PRO   3 -13.953   4.289 -14.327
   13   2HB   PRO   3          1HB       PRO   3 -14.613   5.357 -13.083
   14   1HG   PRO   3          2HG       PRO   3 -15.694   5.277 -15.509
   15   2HG   PRO   3          1HG       PRO   3 -15.534   6.814 -14.637
   16   1HD   PRO   3          2HD       PRO   3 -13.882   5.723 -16.882
   17   2HD   PRO   3          1HD       PRO   3 -14.434   7.386 -16.592
   18    H    GLY   4           H        GLY   4 -11.705   4.622 -15.746
   19   1HA   GLY   4          1HA       GLY   4  -9.769   3.380 -15.821
   20   2HA   GLY   4          2HA       GLY   4  -9.276   4.161 -14.328
   21    H    ILE   5           H        ILE   5 -12.312   2.467 -14.512
   22    HA   ILE   5           HA       ILE   5 -11.151   0.355 -12.821
   23    HB   ILE   5           HB       ILE   5 -14.078   0.986 -12.759
   24   1HG1  ILE   5          2HG1      ILE   5 -12.727   3.118 -12.390
   25   2HG1  ILE   5          1HG1      ILE   5 -13.828   2.662 -11.096
   26   1HG2  ILE   5          1HG2      ILE   5 -13.988  -0.011 -10.597
   27   2HG2  ILE   5          2HG2      ILE   5 -13.081  -1.052 -11.696
   28   3HG2  ILE   5          3HG2      ILE   5 -12.224   0.023 -10.592
   29   1HD1  ILE   5          1HD1      ILE   5 -11.201   3.345 -10.798
   30   2HD1  ILE   5          2HD1      ILE   5 -12.173   2.465  -9.620
   31   3HD1  ILE   5          3HD1      ILE   5 -11.144   1.586 -10.751
   32    H    GLN   6           H        GLN   6 -11.135   0.206 -15.643
   33    HA   GLN   6           HA       GLN   6 -13.182  -1.688 -16.385
   34   1HB   GLN   6          2HB       GLN   6 -12.473  -0.801 -18.349
   35   2HB   GLN   6          1HB       GLN   6 -10.906  -0.363 -17.690
   36   1HG   GLN   6          2HG       GLN   6 -10.801  -3.125 -17.878
   37   2HG   GLN   6          1HG       GLN   6 -11.667  -2.623 -19.329
   38   1HE2  GLN   6          1HE2      GLN   6  -9.435  -3.738 -19.915
   39   2HE2  GLN   6          2HE2      GLN   6  -8.183  -2.602 -20.299
   40    H    SER   7           H        SER   7  -9.993  -1.676 -15.082
   41    HA   SER   7           HA       SER   7 -10.228  -4.553 -14.537
   42   1HB   SER   7          2HB       SER   7  -7.504  -3.409 -14.541
   43   2HB   SER   7          1HB       SER   7  -8.079  -4.951 -15.177
   44    HG   SER   7           HG       SER   7  -9.121  -3.465 -16.841
   45    H    PHE   8           H        PHE   8 -10.194  -5.040 -12.411
   46    HA   PHE   8           HA       PHE   8  -9.464  -2.883 -10.554
   47   1HB   PHE   8          2HB       PHE   8 -11.128  -4.222  -9.020
   48   2HB   PHE   8          1HB       PHE   8 -11.750  -3.090 -10.212
   49    HD1  PHE   8           1HD      PHE   8 -11.199  -6.659  -9.470
   50    HD2  PHE   8           2HD      PHE   8 -13.099  -3.821 -12.007
   51    HE1  PHE   8           1HE      PHE   8 -12.581  -8.454 -10.435
   52    HE2  PHE   8           2HE      PHE   8 -14.480  -5.608 -12.979
   53    HZ   PHE   8           HZ       PHE   8 -14.222  -7.927 -12.192
   54    H    LEU   9           H        LEU   9  -9.568  -4.398  -8.231
   55    HA   LEU   9           HA       LEU   9  -7.269  -6.181  -8.634
   56   1HB   LEU   9          2HB       LEU   9  -7.990  -5.321  -5.894
   57   2HB   LEU   9          1HB       LEU   9  -6.416  -5.557  -6.618
   58    HG   LEU   9           HG       LEU   9  -7.597  -3.300  -7.878
   59   1HD1  LEU   9          1HD1      LEU   9  -7.556  -1.901  -5.680
   60   2HD1  LEU   9          2HD1      LEU   9  -9.027  -2.759  -6.151
   61   3HD1  LEU   9          3HD1      LEU   9  -7.963  -3.442  -4.919
   62   1HD2  LEU   9          1HD2      LEU   9  -5.161  -4.105  -7.154
   63   2HD2  LEU   9          2HD2      LEU   9  -5.551  -2.418  -7.495
   64   3HD2  LEU   9          3HD2      LEU   9  -5.495  -2.991  -5.827
   65    HA   PRO  10           HA       PRO  10  -9.473  -9.776  -7.434
   66   1HB   PRO  10          2HB       PRO  10  -7.362 -10.391  -5.455
   67   2HB   PRO  10          1HB       PRO  10  -7.889 -11.318  -6.862
   68   1HG   PRO  10          2HG       PRO  10  -5.548 -10.017  -6.842
   69   2HG   PRO  10          1HG       PRO  10  -6.530 -10.144  -8.313
   70   1HD   PRO  10          2HD       PRO  10  -6.203  -7.830  -6.443
   71   2HD   PRO  10          1HD       PRO  10  -6.334  -7.839  -8.214
   72    HA   PRO  11           HA       PRO  11 -11.951  -8.707  -3.850
   73   1HB   PRO  11          2HB       PRO  11 -12.240 -11.682  -3.812
   74   2HB   PRO  11          1HB       PRO  11 -13.481 -10.431  -3.680
   75   1HG   PRO  11          2HG       PRO  11 -13.137 -11.753  -5.967
   76   2HG   PRO  11          1HG       PRO  11 -13.499 -10.017  -5.965
   77   1HD   PRO  11          2HD       PRO  11 -10.930 -11.416  -6.513
   78   2HD   PRO  11          1HD       PRO  11 -11.554  -9.896  -7.182
   79    H    GLY  12           H        GLY  12 -10.857  -8.157  -2.087
   80   1HA   GLY  12          1HA       GLY  12  -9.990  -9.172   0.069
   81   2HA   GLY  12          2HA       GLY  12  -8.906 -10.076  -0.985
   82    H    TRP  13           H        TRP  13  -8.621  -7.838  -2.840
   83    HA   TRP  13           HA       TRP  13  -6.646  -6.267  -1.416
   84   1HB   TRP  13          2HB       TRP  13  -7.523  -6.533  -4.266
   85   2HB   TRP  13          1HB       TRP  13  -6.623  -5.102  -3.777
   86    HD1  TRP  13           HD       TRP  13  -6.223  -8.838  -4.355
   87    HE1  TRP  13           1HE      TRP  13  -3.722  -9.412  -4.358
   88    HE3  TRP  13           3HE      TRP  13  -4.365  -4.353  -2.774
   89    HZ2  TRP  13           2HZ      TRP  13  -1.270  -8.133  -3.766
   90    HZ3  TRP  13           3HZ      TRP  13  -1.931  -4.106  -2.516
   91    HH2  TRP  13           HH       TRP  13  -0.415  -5.959  -3.003
   92    H    GLU  14           H        GLU  14  -7.508  -4.788  -0.093
   93    HA   GLU  14           HA       GLU  14  -9.939  -3.409  -0.946
   94   1HB   GLU  14          2HB       GLU  14  -9.380  -4.608   1.395
   95   2HB   GLU  14          1HB       GLU  14  -8.853  -2.975   1.767
   96   1HG   GLU  14          2HG       GLU  14 -10.947  -2.161   1.794
   97   2HG   GLU  14          1HG       GLU  14 -11.480  -3.200   0.470
   98    H    MET  15           H        MET  15  -9.414  -1.700  -2.166
   99    HA   MET  15           HA       MET  15  -7.247   0.051  -1.447
  100   1HB   MET  15          2HB       MET  15  -8.103   1.519  -3.269
  101   2HB   MET  15          1HB       MET  15  -7.729  -0.115  -3.796
  102   1HG   MET  15          2HG       MET  15  -9.863  -0.587  -4.308
  103   2HG   MET  15          1HG       MET  15 -10.514   0.394  -2.993
  104   1HE   MET  15          1HE       MET  15  -9.699   0.727  -7.100
  105   2HE   MET  15          2HE       MET  15 -10.784  -0.292  -6.154
  106   3HE   MET  15          3HE       MET  15 -11.399   1.163  -6.939
  107    H    ARG  16           H        ARG  16  -7.351   1.459   0.096
  108    HA   ARG  16           HA       ARG  16  -9.909   2.827   0.598
  109   1HB   ARG  16          2HB       ARG  16  -8.005   1.553   2.489
  110   2HB   ARG  16          1HB       ARG  16  -8.673   3.105   2.976
  111   1HG   ARG  16          2HG       ARG  16 -10.401   1.969   3.776
  112   2HG   ARG  16          1HG       ARG  16 -10.879   1.690   2.100
  113   1HD   ARG  16          2HD       ARG  16 -10.541  -0.490   2.358
  114   2HD   ARG  16          1HD       ARG  16  -8.854  -0.187   2.775
  115    HE   ARG  16           HE       ARG  16 -11.092  -0.518   4.650
  116   1HH1  ARG  16          2HH1      ARG  16  -7.656  -0.177   4.066
  117   2HH1  ARG  16          1HH1      ARG  16  -7.210  -0.551   5.703
  118   1HH2  ARG  16          2HH2      ARG  16 -10.502  -0.998   6.820
  119   2HH2  ARG  16          1HH2      ARG  16  -8.816  -1.009   7.252
  120    H    ILE  17           H        ILE  17  -9.791   5.028   0.774
  121    HA   ILE  17           HA       ILE  17  -7.264   6.195  -0.057
  122    HB   ILE  17           HB       ILE  17  -9.608   7.927   0.510
  123   1HG1  ILE  17          2HG1      ILE  17 -10.543   5.927  -0.691
  124   2HG1  ILE  17          1HG1      ILE  17 -10.703   7.439  -1.574
  125   1HG2  ILE  17          1HG2      ILE  17  -8.760   8.994  -1.606
  126   2HG2  ILE  17          2HG2      ILE  17  -7.646   9.013  -0.238
  127   3HG2  ILE  17          3HG2      ILE  17  -7.421   7.849  -1.546
  128   1HD1  ILE  17          1HD1      ILE  17  -9.956   6.171  -3.278
  129   2HD1  ILE  17          2HD1      ILE  17  -8.380   6.575  -2.595
  130   3HD1  ILE  17          3HD1      ILE  17  -9.136   5.027  -2.212
  131    H    ALA  18           H        ALA  18  -5.876   6.435   1.525
  132    HA   ALA  18           HA       ALA  18  -6.583   6.880   4.241
  133   1HB   ALA  18          1HB       ALA  18  -3.925   7.192   2.840
  134   2HB   ALA  18          2HB       ALA  18  -4.168   7.173   4.588
  135   3HB   ALA  18          3HB       ALA  18  -4.525   5.734   3.632
  136    HA   PRO  19           HA       PRO  19  -7.053  11.263   4.515
  137   1HB   PRO  19          2HB       PRO  19  -5.212  11.250   6.838
  138   2HB   PRO  19          1HB       PRO  19  -6.893  11.783   6.735
  139   1HG   PRO  19          2HG       PRO  19  -6.257   9.511   7.971
  140   2HG   PRO  19          1HG       PRO  19  -7.726   9.634   6.984
  141   1HD   PRO  19          2HD       PRO  19  -5.089   8.379   6.309
  142   2HD   PRO  19          1HD       PRO  19  -6.732   7.798   5.967
  143    H    ASN  20           H        ASN  20  -4.036   9.867   3.933
  144    HA   ASN  20           HA       ASN  20  -2.534  12.308   3.663
  145   1HB   ASN  20          2HB       ASN  20  -1.840   9.779   2.187
  146   2HB   ASN  20          1HB       ASN  20  -0.765  10.996   2.860
  147   1HD2  ASN  20          1HD2      ASN  20   0.377  10.245   4.477
  148   2HD2  ASN  20          2HD2      ASN  20  -0.151   9.089   5.654
  149    H    GLY  21           H        GLY  21  -4.885  10.638   1.854
  150   1HA   GLY  21          1HA       GLY  21  -6.047  11.725   0.083
  151   2HA   GLY  21          2HA       GLY  21  -4.562  12.569  -0.335
  152    H    ARG  22           H        ARG  22  -3.823   9.428   0.339
  153    HA   ARG  22           HA       ARG  22  -3.678   8.812  -2.526
  154   1HB   ARG  22          2HB       ARG  22  -1.956   7.189  -0.856
  155   2HB   ARG  22          1HB       ARG  22  -1.549   8.165  -2.258
  156   1HG   ARG  22          2HG       ARG  22  -1.999   9.507   0.364
  157   2HG   ARG  22          1HG       ARG  22  -0.491   8.645   0.082
  158   1HD   ARG  22          2HD       ARG  22   0.048  10.015  -1.778
  159   2HD   ARG  22          1HD       ARG  22  -1.568  10.721  -1.807
  160    HE   ARG  22           HE       ARG  22  -1.006  12.063   0.024
  161   1HH1  ARG  22          2HH1      ARG  22   1.624   9.918  -0.854
  162   2HH1  ARG  22          1HH1      ARG  22   2.815  10.800   0.060
  163   1HH2  ARG  22          2HH2      ARG  22   0.549  13.228   1.231
  164   2HH2  ARG  22          1HH2      ARG  22   2.209  12.697   1.234
  165    HA   PRO  23           HA       PRO  23  -6.271   5.204  -1.697
  166   1HB   PRO  23          2HB       PRO  23  -5.190   4.501  -4.366
  167   2HB   PRO  23          1HB       PRO  23  -6.867   4.552  -3.818
  168   1HG   PRO  23          2HG       PRO  23  -5.920   6.434  -5.443
  169   2HG   PRO  23          1HG       PRO  23  -7.020   6.863  -4.118
  170   1HD   PRO  23          2HD       PRO  23  -4.036   7.148  -4.270
  171   2HD   PRO  23          1HD       PRO  23  -5.243   8.285  -3.628
  172    H    PHE  24           H        PHE  24  -5.441   3.629  -0.454
  173    HA   PHE  24           HA       PHE  24  -2.961   2.354  -1.392
  174   1HB   PHE  24          2HB       PHE  24  -2.204   1.987   0.814
  175   2HB   PHE  24          1HB       PHE  24  -2.719   3.662   0.765
  176    HD1  PHE  24           1HD      PHE  24  -3.457   0.317   2.094
  177    HD2  PHE  24           2HD      PHE  24  -4.574   4.423   2.048
  178    HE1  PHE  24           1HE      PHE  24  -4.847  -0.043   4.086
  179    HE2  PHE  24           2HE      PHE  24  -5.974   4.069   4.033
  180    HZ   PHE  24           HZ       PHE  24  -6.115   1.833   5.058
  181    H    PHE  25           H        PHE  25  -2.847   0.171  -1.374
  182    HA   PHE  25           HA       PHE  25  -5.458  -1.148  -1.174
  183   1HB   PHE  25          2HB       PHE  25  -3.078  -2.145  -2.728
  184   2HB   PHE  25          1HB       PHE  25  -4.768  -2.613  -2.906
  185    HD1  PHE  25           1HD      PHE  25  -2.202  -0.241  -3.856
  186    HD2  PHE  25           2HD      PHE  25  -6.376  -1.046  -3.923
  187    HE1  PHE  25           1HE      PHE  25  -2.502   1.458  -5.607
  188    HE2  PHE  25           2HE      PHE  25  -6.685   0.653  -5.668
  189    HZ   PHE  25           HZ       PHE  25  -4.739   1.900  -6.521
  190    H    ILE  26           H        ILE  26  -5.695  -2.221   0.568
  191    HA   ILE  26           HA       ILE  26  -3.379  -3.507   1.775
  192    HB   ILE  26           HB       ILE  26  -4.864  -1.996   3.136
  193   1HG1  ILE  26          2HG1      ILE  26  -3.336  -3.988   3.855
  194   2HG1  ILE  26          1HG1      ILE  26  -4.308  -3.117   5.034
  195   1HG2  ILE  26          1HG2      ILE  26  -7.055  -2.455   2.545
  196   2HG2  ILE  26          2HG2      ILE  26  -6.840  -4.199   2.696
  197   3HG2  ILE  26          3HG2      ILE  26  -6.888  -3.186   4.138
  198   1HD1  ILE  26          1HD1      ILE  26  -6.036  -5.050   4.375
  199   2HD1  ILE  26          2HD1      ILE  26  -4.516  -5.895   4.071
  200   3HD1  ILE  26          3HD1      ILE  26  -4.844  -5.211   5.665
  201    H    ASP  27           H        ASP  27  -2.994  -5.475   1.189
  202    HA   ASP  27           HA       ASP  27  -5.024  -7.121  -0.028
  203   1HB   ASP  27          2HB       ASP  27  -2.891  -7.325  -1.025
  204   2HB   ASP  27          1HB       ASP  27  -2.085  -7.482   0.533
  205    H    HIS  28           H        HIS  28  -6.407  -8.244   1.139
  206    HA   HIS  28           HA       HIS  28  -5.931  -8.648   3.957
  207   1HB   HIS  28          2HB       HIS  28  -8.269  -9.084   2.130
  208   2HB   HIS  28          1HB       HIS  28  -8.267  -9.772   3.750
  209    HD1  HIS  28           1HD      HIS  28  -7.710  -7.856   5.689
  210    HD2  HIS  28           2HD      HIS  28  -9.303  -6.580   2.064
  211    HE1  HIS  28           1HE      HIS  28  -8.661  -5.569   6.131
  212    HE2  HIS  28           2HE      HIS  28  -9.863  -4.956   3.997
  213    H    ASN  29           H        ASN  29  -4.624 -10.246   1.593
  214    HA   ASN  29           HA       ASN  29  -5.238 -12.946   2.521
  215   1HB   ASN  29          2HB       ASN  29  -3.545 -11.923   0.228
  216   2HB   ASN  29          1HB       ASN  29  -3.765 -13.621   0.621
  217   1HD2  ASN  29          1HD2      ASN  29  -4.977 -10.957  -1.059
  218   2HD2  ASN  29          2HD2      ASN  29  -6.476 -11.667  -1.574
  219    H    THR  30           H        THR  30  -2.364 -10.976   1.806
  220    HA   THR  30           HA       THR  30  -0.779 -12.544   3.692
  221    HB   THR  30           HB       THR  30   1.140 -11.293   2.801
  222    HG1  THR  30           1HG      THR  30  -0.814  -9.978   1.155
  223   1HG2  THR  30          1HG2      THR  30   0.657 -13.251   1.573
  224   2HG2  THR  30          2HG2      THR  30   0.874 -11.989   0.361
  225   3HG2  THR  30          3HG2      THR  30  -0.751 -12.517   0.802
  226    H    LYS  31           H        LYS  31  -2.575  -9.696   3.566
  227    HA   LYS  31           HA       LYS  31  -3.087  -8.117   5.098
  228   1HB   LYS  31          2HB       LYS  31  -1.568 -10.040   6.738
  229   2HB   LYS  31          1HB       LYS  31  -1.598  -8.395   7.360
  230   1HG   LYS  31          2HG       LYS  31  -3.723  -8.560   8.002
  231   2HG   LYS  31          1HG       LYS  31  -4.214  -9.313   6.484
  232   1HD   LYS  31          2HD       LYS  31  -3.003 -11.406   7.433
  233   2HD   LYS  31          1HD       LYS  31  -3.190 -10.592   8.988
  234   1HE   LYS  31          2HE       LYS  31  -5.424 -10.918   9.034
  235   2HE   LYS  31          1HE       LYS  31  -5.598 -10.685   7.295
  236   1HZ   LYS  31          1HZ       LYS  31  -4.177 -13.043   7.674
  237   2HZ   LYS  31          2HZ       LYS  31  -5.755 -12.863   7.081
  238   3HZ   LYS  31          3HZ       LYS  31  -5.497 -13.093   8.740
  239    H    THR  32           H        THR  32  -1.113  -7.676   3.138
  240    HA   THR  32           HA       THR  32   0.724  -5.849   4.534
  241    HB   THR  32           HB       THR  32   1.061  -6.462   1.634
  242    HG1  THR  32           1HG      THR  32   0.946  -8.545   2.307
  243   1HG2  THR  32          1HG2      THR  32   3.367  -6.542   3.420
  244   2HG2  THR  32          2HG2      THR  32   2.486  -5.017   3.497
  245   3HG2  THR  32          3HG2      THR  32   3.109  -5.599   1.953
  246    H    THR  33           H        THR  33   1.082  -3.745   3.608
  247    HA   THR  33           HA       THR  33  -1.340  -2.687   2.288
  248    HB   THR  33           HB       THR  33  -0.103  -0.599   3.729
  249    HG1  THR  33           1HG      THR  33   0.956  -2.224   4.987
  250   1HG2  THR  33          1HG2      THR  33  -2.485  -0.796   3.314
  251   2HG2  THR  33          2HG2      THR  33  -2.180  -0.646   5.046
  252   3HG2  THR  33          3HG2      THR  33  -2.570  -2.219   4.349
  253    H    THR  34           H        THR  34  -0.867  -1.958   0.297
  254    HA   THR  34           HA       THR  34   1.745  -0.647  -0.085
  255    HB   THR  34           HB       THR  34   1.568  -2.905  -1.197
  256    HG1  THR  34           1HG      THR  34   2.517  -2.134  -3.115
  257   1HG2  THR  34          1HG2      THR  34   0.055  -3.394  -2.816
  258   2HG2  THR  34          2HG2      THR  34  -0.048  -1.728  -3.380
  259   3HG2  THR  34          3HG2      THR  34  -0.919  -2.222  -1.929
  260    H    TRP  35           H        TRP  35   1.769   1.264  -1.167
  261    HA   TRP  35           HA       TRP  35  -0.802   2.471  -1.850
  262   1HB   TRP  35          2HB       TRP  35   1.908   3.772  -2.099
  263   2HB   TRP  35          1HB       TRP  35   0.342   4.540  -1.917
  264    HD1  TRP  35           HD       TRP  35   3.004   2.682   0.103
  265    HE1  TRP  35           1HE      TRP  35   2.672   3.203   2.593
  266    HE3  TRP  35           3HE      TRP  35  -1.377   5.303  -0.197
  267    HZ2  TRP  35           2HZ      TRP  35   0.799   4.572   4.219
  268    HZ3  TRP  35           3HZ      TRP  35  -2.367   6.182   1.865
  269    HH2  TRP  35           HH       TRP  35  -1.304   5.826   4.024
  270    H    GLU  36           H        GLU  36   1.601   0.714  -3.237
  271    HA   GLU  36           HA       GLU  36   1.584   1.941  -5.849
  272   1HB   GLU  36          2HB       GLU  36   2.760  -0.752  -5.390
  273   2HB   GLU  36          1HB       GLU  36   3.378   0.595  -6.337
  274   1HG   GLU  36          2HG       GLU  36   3.253   0.991  -3.410
  275   2HG   GLU  36          1HG       GLU  36   4.432  -0.175  -4.007
  276    H    ASP  37           H        ASP  37  -0.068   1.638  -7.139
  277    HA   ASP  37           HA       ASP  37  -2.062  -0.310  -6.820
  278   1HB   ASP  37          2HB       ASP  37  -2.212   1.946  -7.982
  279   2HB   ASP  37          1HB       ASP  37  -1.460   1.183  -9.370
  280    HA   PRO  38           HA       PRO  38   0.250  -3.684  -8.655
  281   1HB   PRO  38          2HB       PRO  38  -1.614  -5.596  -8.134
  282   2HB   PRO  38          1HB       PRO  38  -0.468  -5.001  -6.928
  283   1HG   PRO  38          2HG       PRO  38  -3.334  -4.279  -7.343
  284   2HG   PRO  38          1HG       PRO  38  -2.449  -4.537  -5.829
  285   1HD   PRO  38          2HD       PRO  38  -3.016  -2.066  -6.813
  286   2HD   PRO  38          1HD       PRO  38  -1.581  -2.407  -5.829
  287    H    ARG  39           H        ARG  39  -2.746  -2.336  -9.620
  288    HA   ARG  39           HA       ARG  39  -3.206  -4.086 -11.851
  289   1HB   ARG  39          2HB       ARG  39  -4.187  -1.270 -11.355
  290   2HB   ARG  39          1HB       ARG  39  -4.779  -2.349 -12.610
  291   1HG   ARG  39          2HG       ARG  39  -5.743  -3.814 -11.020
  292   2HG   ARG  39          1HG       ARG  39  -4.921  -3.011  -9.683
  293   1HD   ARG  39          2HD       ARG  39  -7.245  -2.070 -11.311
  294   2HD   ARG  39          1HD       ARG  39  -7.084  -2.182  -9.559
  295    HE   ARG  39           HE       ARG  39  -5.394  -0.304  -9.840
  296   1HH1  ARG  39          2HH1      ARG  39  -8.128  -0.748 -12.010
  297   2HH1  ARG  39          1HH1      ARG  39  -8.243   0.940 -12.410
  298   1HH2  ARG  39          2HH2      ARG  39  -5.538   1.891 -10.353
  299   2HH2  ARG  39          1HH2      ARG  39  -6.750   2.447 -11.473
  300    H    LEU  40           H        LEU  40  -1.075  -1.522 -11.167
  301    HA   LEU  40           HA       LEU  40  -0.436  -0.999 -13.957
  302   1HB   LEU  40          2HB       LEU  40   1.190  -0.147 -11.578
  303   2HB   LEU  40          1HB       LEU  40   1.111   0.603 -13.161
  304    HG   LEU  40           HG       LEU  40  -1.217   0.574 -11.244
  305   1HD1  LEU  40          1HD1      LEU  40   1.013   1.768 -10.533
  306   2HD1  LEU  40          2HD1      LEU  40   0.459   2.995 -11.672
  307   3HD1  LEU  40          3HD1      LEU  40  -0.552   2.546 -10.298
  308   1HD2  LEU  40          1HD2      LEU  40  -2.242   1.233 -13.125
  309   2HD2  LEU  40          2HD2      LEU  40  -1.439   2.775 -12.825
  310   3HD2  LEU  40          3HD2      LEU  40  -0.723   1.611 -13.940
  311    H    LYS  41           H        LYS  41   0.221  -3.237 -11.606
  312    HA   LYS  41           HA       LYS  41   1.386  -5.177 -11.652
  313   1HB   LYS  41          2HB       LYS  41   2.642  -4.071 -14.165
  314   2HB   LYS  41          1HB       LYS  41   3.019  -5.651 -13.488
  315   1HG   LYS  41          2HG       LYS  41   0.172  -4.984 -14.020
  316   2HG   LYS  41          1HG       LYS  41   1.221  -5.364 -15.387
  317   1HD   LYS  41          2HD       LYS  41   0.771  -7.510 -14.955
  318   2HD   LYS  41          1HD       LYS  41   1.823  -7.335 -13.548
  319   1HE   LYS  41          2HE       LYS  41  -1.025  -6.507 -13.301
  320   2HE   LYS  41          1HE       LYS  41  -0.658  -8.231 -13.332
  321   1HZ   LYS  41          1HZ       LYS  41  -0.340  -7.975 -11.149
  322   2HZ   LYS  41          2HZ       LYS  41  -0.193  -6.291 -11.255
  323   3HZ   LYS  41          3HZ       LYS  41   1.151  -7.280 -11.567
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1 -16.722 -10.829 -12.714
    2   2H    GLY   1          2H        GLY   1 -17.817 -12.126 -12.815
    3   3H    GLY   1          3H        GLY   1 -17.744 -11.179 -11.408
    4   1HA   GLY   1          2HA       GLY   1 -19.241  -9.787 -12.184
    5   2HA   GLY   1          1HA       GLY   1 -18.211  -9.470 -13.571
    6    H    SER   2           H        SER   2 -21.075 -10.951 -12.457
    7    HA   SER   2           HA       SER   2 -21.484 -12.808 -14.537
    8   1HB   SER   2          2HB       SER   2 -23.940 -11.635 -13.473
    9   2HB   SER   2          1HB       SER   2 -23.364 -13.300 -13.414
   10    HG   SER   2           HG       SER   2 -23.269 -11.373 -11.502
   11    HA   PRO   3           HA       PRO   3 -23.746  -9.461 -17.013
   12   1HB   PRO   3          2HB       PRO   3 -24.264  -7.028 -16.055
   13   2HB   PRO   3          1HB       PRO   3 -25.239  -8.421 -15.567
   14   1HG   PRO   3          2HG       PRO   3 -23.063  -7.018 -14.082
   15   2HG   PRO   3          1HG       PRO   3 -24.581  -7.697 -13.471
   16   1HD   PRO   3          2HD       PRO   3 -22.087  -8.933 -13.349
   17   2HD   PRO   3          1HD       PRO   3 -23.651  -9.748 -13.164
   18    H    GLY   4           H        GLY   4 -20.839  -9.043 -15.512
   19   1HA   GLY   4          1HA       GLY   4 -18.863  -8.292 -16.543
   20   2HA   GLY   4          2HA       GLY   4 -19.833  -7.331 -17.649
   21    H    ILE   5           H        ILE   5 -17.779  -7.192 -15.059
   22    HA   ILE   5           HA       ILE   5 -18.483  -4.402 -14.581
   23    HB   ILE   5           HB       ILE   5 -17.796  -4.882 -12.090
   24   1HG1  ILE   5          2HG1      ILE   5 -19.363  -7.265 -11.992
   25   2HG1  ILE   5          1HG1      ILE   5 -18.036  -7.522 -13.121
   26   1HG2  ILE   5          1HG2      ILE   5 -19.838  -4.033 -11.913
   27   2HG2  ILE   5          2HG2      ILE   5 -20.300  -4.689 -13.483
   28   3HG2  ILE   5          3HG2      ILE   5 -20.476  -5.673 -12.031
   29   1HD1  ILE   5          1HD1      ILE   5 -16.553  -6.567 -11.249
   30   2HD1  ILE   5          2HD1      ILE   5 -17.934  -6.900 -10.202
   31   3HD1  ILE   5          3HD1      ILE   5 -17.165  -8.214 -11.095
   32    H    GLN   6           H        GLN   6 -16.748  -3.112 -14.276
   33    HA   GLN   6           HA       GLN   6 -14.164  -4.241 -14.886
   34   1HB   GLN   6          2HB       GLN   6 -15.386  -1.827 -15.443
   35   2HB   GLN   6          1HB       GLN   6 -14.221  -1.400 -14.196
   36   1HG   GLN   6          2HG       GLN   6 -13.356  -3.057 -16.523
   37   2HG   GLN   6          1HG       GLN   6 -13.545  -1.312 -16.703
   38   1HE2  GLN   6          1HE2      GLN   6 -11.422  -3.718 -15.950
   39   2HE2  GLN   6          2HE2      GLN   6 -10.238  -2.795 -15.075
   40    H    SER   7           H        SER   7 -13.757  -5.457 -13.004
   41    HA   SER   7           HA       SER   7 -13.643  -4.254 -10.421
   42   1HB   SER   7          2HB       SER   7 -11.976  -6.582 -10.594
   43   2HB   SER   7          1HB       SER   7 -13.545  -6.407  -9.808
   44    HG   SER   7           HG       SER   7 -13.380  -8.014 -11.560
   45    H    PHE   8           H        PHE   8 -12.182  -2.809  -9.820
   46    HA   PHE   8           HA       PHE   8  -9.834  -2.159 -11.176
   47   1HB   PHE   8          2HB       PHE   8  -9.358  -1.432  -8.522
   48   2HB   PHE   8          1HB       PHE   8 -10.083  -0.429  -9.772
   49    HD1  PHE   8           1HD      PHE   8 -12.490  -0.097  -9.859
   50    HD2  PHE   8           2HD      PHE   8 -10.697  -2.445  -6.796
   51    HE1  PHE   8           1HE      PHE   8 -14.569   0.026  -8.553
   52    HE2  PHE   8           2HE      PHE   8 -12.776  -2.332  -5.487
   53    HZ   PHE   8           HZ       PHE   8 -14.717  -1.094  -6.365
   54    H    LEU   9           H        LEU   9 -10.003  -3.731  -7.987
   55    HA   LEU   9           HA       LEU   9  -7.713  -5.402  -8.781
   56   1HB   LEU   9          2HB       LEU   9  -8.179  -4.915  -5.897
   57   2HB   LEU   9          1HB       LEU   9  -6.679  -5.122  -6.770
   58    HG   LEU   9           HG       LEU   9  -7.716  -2.655  -7.628
   59   1HD1  LEU   9          1HD1      LEU   9  -7.519  -1.723  -5.098
   60   2HD1  LEU   9          2HD1      LEU   9  -9.047  -2.052  -5.914
   61   3HD1  LEU   9          3HD1      LEU   9  -8.358  -3.250  -4.817
   62   1HD2  LEU   9          1HD2      LEU   9  -5.624  -1.988  -7.151
   63   2HD2  LEU   9          2HD2      LEU   9  -5.639  -2.721  -5.545
   64   3HD2  LEU   9          3HD2      LEU   9  -5.350  -3.724  -6.969
   65    HA   PRO  10           HA       PRO  10 -10.084  -8.971  -7.435
   66   1HB   PRO  10          2HB       PRO  10  -8.057  -9.597  -5.357
   67   2HB   PRO  10          1HB       PRO  10  -8.640 -10.594  -6.695
   68   1HG   PRO  10          2HG       PRO  10  -6.205  -9.504  -6.765
   69   2HG   PRO  10          1HG       PRO  10  -7.201  -9.619  -8.227
   70   1HD   PRO  10          2HD       PRO  10  -6.685  -7.256  -6.465
   71   2HD   PRO  10          1HD       PRO  10  -6.773  -7.334  -8.237
   72    HA   PRO  11           HA       PRO  11 -12.509  -7.391  -4.143
   73   1HB   PRO  11          2HB       PRO  11 -13.142 -10.212  -3.457
   74   2HB   PRO  11          1HB       PRO  11 -14.227  -8.873  -3.854
   75   1HG   PRO  11          2HG       PRO  11 -13.777 -10.796  -5.629
   76   2HG   PRO  11          1HG       PRO  11 -13.882  -9.102  -6.146
   77   1HD   PRO  11          2HD       PRO  11 -11.455 -10.810  -5.735
   78   2HD   PRO  11          1HD       PRO  11 -11.807  -9.648  -7.032
   79    H    GLY  12           H        GLY  12  -9.921  -9.530  -3.510
   80   1HA   GLY  12          1HA       GLY  12 -10.188  -9.354  -0.616
   81   2HA   GLY  12          2HA       GLY  12  -8.941 -10.223  -1.495
   82    H    TRP  13           H        TRP  13  -9.148  -7.262  -2.911
   83    HA   TRP  13           HA       TRP  13  -6.959  -6.218  -1.245
   84   1HB   TRP  13          2HB       TRP  13  -7.651  -5.927  -4.147
   85   2HB   TRP  13          1HB       TRP  13  -6.695  -4.680  -3.349
   86    HD1  TRP  13           HD       TRP  13  -6.547  -8.405  -4.291
   87    HE1  TRP  13           1HE      TRP  13  -4.084  -9.142  -4.333
   88    HE3  TRP  13           3HE      TRP  13  -4.389  -4.139  -2.454
   89    HZ2  TRP  13           2HZ      TRP  13  -1.569  -8.066  -3.643
   90    HZ3  TRP  13           3HZ      TRP  13  -1.952  -4.082  -2.176
   91    HH2  TRP  13           HH       TRP  13  -0.567  -6.005  -2.762
   92    H    GLU  14           H        GLU  14  -7.493  -4.681   0.113
   93    HA   GLU  14           HA       GLU  14  -9.964  -3.177  -0.344
   94   1HB   GLU  14          2HB       GLU  14  -9.399  -4.510   1.801
   95   2HB   GLU  14          1HB       GLU  14  -8.338  -3.164   2.183
   96   1HG   GLU  14          2HG       GLU  14 -10.257  -1.638   2.066
   97   2HG   GLU  14          1HG       GLU  14 -11.310  -3.015   1.739
   98    H    MET  15           H        MET  15  -9.406  -1.496  -1.669
   99    HA   MET  15           HA       MET  15  -7.094   0.127  -1.125
  100   1HB   MET  15          2HB       MET  15  -8.186   1.676  -2.848
  101   2HB   MET  15          1HB       MET  15  -7.632   0.103  -3.394
  102   1HG   MET  15          2HG       MET  15  -9.718  -0.633  -3.838
  103   2HG   MET  15          1HG       MET  15 -10.435   0.273  -2.504
  104   1HE   MET  15          1HE       MET  15  -8.525   0.647  -5.768
  105   2HE   MET  15          2HE       MET  15 -10.101   0.267  -6.468
  106   3HE   MET  15          3HE       MET  15  -9.412   1.875  -6.676
  107    H    ARG  16           H        ARG  16  -7.286   0.896   0.892
  108    HA   ARG  16           HA       ARG  16  -9.612   2.451   1.680
  109   1HB   ARG  16          2HB       ARG  16  -7.023   1.710   3.038
  110   2HB   ARG  16          1HB       ARG  16  -8.112   2.905   3.727
  111   1HG   ARG  16          2HG       ARG  16  -9.783   1.320   4.116
  112   2HG   ARG  16          1HG       ARG  16  -9.041   0.142   3.026
  113   1HD   ARG  16          2HD       ARG  16  -7.177  -0.139   4.537
  114   2HD   ARG  16          1HD       ARG  16  -7.801   1.126   5.593
  115    HE   ARG  16           HE       ARG  16  -9.078  -1.503   5.168
  116   1HH1  ARG  16          2HH1      ARG  16  -8.442   1.337   7.137
  117   2HH1  ARG  16          1HH1      ARG  16  -9.222   0.678   8.542
  118   1HH2  ARG  16          2HH2      ARG  16 -10.131  -2.345   7.010
  119   2HH2  ARG  16          1HH2      ARG  16 -10.203  -1.397   8.462
  120    H    ILE  17           H        ILE  17  -9.752   4.622   1.452
  121    HA   ILE  17           HA       ILE  17  -7.519   5.955   0.150
  122    HB   ILE  17           HB       ILE  17 -10.052   7.371   0.850
  123   1HG1  ILE  17          2HG1      ILE  17 -10.697   5.165  -0.139
  124   2HG1  ILE  17          1HG1      ILE  17 -11.187   6.548  -1.110
  125   1HG2  ILE  17          1HG2      ILE  17  -9.393   8.892  -0.664
  126   2HG2  ILE  17          2HG2      ILE  17  -7.804   8.176  -0.394
  127   3HG2  ILE  17          3HG2      ILE  17  -8.777   7.674  -1.779
  128   1HD1  ILE  17          1HD1      ILE  17  -9.074   6.142  -2.463
  129   2HD1  ILE  17          2HD1      ILE  17  -8.984   4.587  -1.633
  130   3HD1  ILE  17          3HD1      ILE  17 -10.384   4.972  -2.633
  131    H    ALA  18           H        ALA  18  -5.983   6.468   1.589
  132    HA   ALA  18           HA       ALA  18  -6.536   7.473   4.199
  133   1HB   ALA  18          1HB       ALA  18  -4.088   7.155   2.518
  134   2HB   ALA  18          2HB       ALA  18  -4.022   8.201   3.937
  135   3HB   ALA  18          3HB       ALA  18  -4.449   6.499   4.115
  136    HA   PRO  19           HA       PRO  19  -7.398  11.721   3.279
  137   1HB   PRO  19          2HB       PRO  19  -6.219  12.899   5.471
  138   2HB   PRO  19          1HB       PRO  19  -7.822  12.156   5.471
  139   1HG   PRO  19          2HG       PRO  19  -5.209  11.036   6.387
  140   2HG   PRO  19          1HG       PRO  19  -6.816  10.886   7.124
  141   1HD   PRO  19          2HD       PRO  19  -5.720   8.889   5.694
  142   2HD   PRO  19          1HD       PRO  19  -7.466   9.213   5.657
  143    H    ASN  20           H        ASN  20  -4.274  10.442   3.450
  144    HA   ASN  20           HA       ASN  20  -2.731  12.732   2.788
  145   1HB   ASN  20          2HB       ASN  20  -2.292   9.942   3.116
  146   2HB   ASN  20          1HB       ASN  20  -1.690  10.376   1.523
  147   1HD2  ASN  20          1HD2      ASN  20  -0.511   9.696   4.273
  148   2HD2  ASN  20          2HD2      ASN  20   0.714  10.896   4.474
  149    H    GLY  21           H        GLY  21  -5.057  10.914   1.123
  150   1HA   GLY  21          1HA       GLY  21  -6.023  11.619  -0.919
  151   2HA   GLY  21          2HA       GLY  21  -4.501  12.400  -1.343
  152    H    ARG  22           H        ARG  22  -3.754   9.501  -0.041
  153    HA   ARG  22           HA       ARG  22  -3.474   8.298  -2.705
  154   1HB   ARG  22          2HB       ARG  22  -1.882   7.157  -0.520
  155   2HB   ARG  22          1HB       ARG  22  -1.407   7.576  -2.157
  156   1HG   ARG  22          2HG       ARG  22  -1.913   9.861  -0.384
  157   2HG   ARG  22          1HG       ARG  22  -0.549   8.839   0.069
  158   1HD   ARG  22          2HD       ARG  22   0.240  10.595  -1.374
  159   2HD   ARG  22          1HD       ARG  22   0.335   9.056  -2.227
  160    HE   ARG  22           HE       ARG  22  -1.830   9.783  -3.310
  161   1HH1  ARG  22          2HH1      ARG  22   0.542  12.078  -2.146
  162   2HH1  ARG  22          1HH1      ARG  22   0.085  13.312  -3.283
  163   1HH2  ARG  22          2HH2      ARG  22  -2.425  11.411  -4.812
  164   2HH2  ARG  22          1HH2      ARG  22  -1.568  12.929  -4.806
  165    HA   PRO  23           HA       PRO  23  -6.355   5.102  -1.189
  166   1HB   PRO  23          2HB       PRO  23  -5.620   4.225  -3.938
  167   2HB   PRO  23          1HB       PRO  23  -7.205   4.281  -3.169
  168   1HG   PRO  23          2HG       PRO  23  -6.519   6.098  -4.994
  169   2HG   PRO  23          1HG       PRO  23  -7.458   6.559  -3.560
  170   1HD   PRO  23          2HD       PRO  23  -4.559   6.995  -4.145
  171   2HD   PRO  23          1HD       PRO  23  -5.713   8.043  -3.291
  172    H    PHE  24           H        PHE  24  -5.373   3.632   0.084
  173    HA   PHE  24           HA       PHE  24  -2.943   2.384  -0.984
  174   1HB   PHE  24          2HB       PHE  24  -1.993   2.196   1.144
  175   2HB   PHE  24          1HB       PHE  24  -2.662   3.810   1.097
  176    HD1  PHE  24           1HD      PHE  24  -2.965   0.460   2.591
  177    HD2  PHE  24           2HD      PHE  24  -4.448   4.457   2.538
  178    HE1  PHE  24           1HE      PHE  24  -4.100   0.063   4.731
  179    HE2  PHE  24           2HE      PHE  24  -5.591   4.060   4.677
  180    HZ   PHE  24           HZ       PHE  24  -5.419   1.862   5.781
  181    H    PHE  25           H        PHE  25  -2.866   0.320  -1.235
  182    HA   PHE  25           HA       PHE  25  -5.392  -1.082  -0.894
  183   1HB   PHE  25          2HB       PHE  25  -3.011  -1.998  -2.500
  184   2HB   PHE  25          1HB       PHE  25  -4.693  -2.497  -2.667
  185    HD1  PHE  25           1HD      PHE  25  -6.327  -1.037  -3.719
  186    HD2  PHE  25           2HD      PHE  25  -2.224   0.057  -3.483
  187    HE1  PHE  25           1HE      PHE  25  -6.705   0.713  -5.401
  188    HE2  PHE  25           2HE      PHE  25  -2.588   1.809  -5.171
  189    HZ   PHE  25           HZ       PHE  25  -4.835   2.142  -6.131
  190    H    ILE  26           H        ILE  26  -5.532  -1.958   0.982
  191    HA   ILE  26           HA       ILE  26  -3.260  -3.451   2.000
  192    HB   ILE  26           HB       ILE  26  -4.482  -1.857   3.494
  193   1HG1  ILE  26          2HG1      ILE  26  -3.129  -3.999   4.081
  194   2HG1  ILE  26          1HG1      ILE  26  -3.943  -3.082   5.340
  195   1HG2  ILE  26          1HG2      ILE  26  -6.667  -3.917   3.462
  196   2HG2  ILE  26          2HG2      ILE  26  -6.564  -2.519   4.534
  197   3HG2  ILE  26          3HG2      ILE  26  -6.759  -2.285   2.797
  198   1HD1  ILE  26          1HD1      ILE  26  -5.180  -5.484   4.027
  199   2HD1  ILE  26          2HD1      ILE  26  -4.138  -5.597   5.447
  200   3HD1  ILE  26          3HD1      ILE  26  -5.650  -4.695   5.534
  201    H    ASP  27           H        ASP  27  -3.064  -5.387   1.285
  202    HA   ASP  27           HA       ASP  27  -5.275  -6.898   0.233
  203   1HB   ASP  27          2HB       ASP  27  -3.582  -7.691  -0.997
  204   2HB   ASP  27          1HB       ASP  27  -2.392  -6.970   0.079
  205    H    HIS  28           H        HIS  28  -6.457  -8.376   1.299
  206    HA   HIS  28           HA       HIS  28  -5.756  -8.801   4.116
  207   1HB   HIS  28          2HB       HIS  28  -8.360  -8.902   2.610
  208   2HB   HIS  28          1HB       HIS  28  -8.209  -9.593   4.223
  209    HD1  HIS  28           1HD      HIS  28  -7.696  -7.880   6.192
  210    HD2  HIS  28           2HD      HIS  28  -8.588  -6.168   2.502
  211    HE1  HIS  28           1HE      HIS  28  -8.173  -5.449   6.659
  212    HE2  HIS  28           2HE      HIS  28  -8.804  -4.451   4.434
  213    H    ASN  29           H        ASN  29  -4.958 -10.325   1.489
  214    HA   ASN  29           HA       ASN  29  -5.786 -13.005   2.312
  215   1HB   ASN  29          2HB       ASN  29  -4.206 -12.317  -0.160
  216   2HB   ASN  29          1HB       ASN  29  -5.214 -13.722   0.141
  217   1HD2  ASN  29          1HD2      ASN  29  -5.087 -10.519  -1.018
  218   2HD2  ASN  29          2HD2      ASN  29  -6.758 -10.368  -1.445
  219    H    THR  30           H        THR  30  -2.881 -11.172   1.381
  220    HA   THR  30           HA       THR  30  -1.286 -13.137   2.894
  221    HB   THR  30           HB       THR  30   0.647 -12.424   1.527
  222    HG1  THR  30           1HG      THR  30  -1.011 -10.420   0.817
  223   1HG2  THR  30          1HG2      THR  30  -0.445 -14.351   0.724
  224   2HG2  THR  30          2HG2      THR  30  -0.244 -13.314  -0.686
  225   3HG2  THR  30          3HG2      THR  30  -1.811 -13.419   0.113
  226    H    LYS  31           H        LYS  31  -2.658 -10.274   3.301
  227    HA   LYS  31           HA       LYS  31  -2.456  -8.572   4.753
  228   1HB   LYS  31          2HB       LYS  31  -1.132 -10.805   5.980
  229   2HB   LYS  31          1HB       LYS  31  -0.324  -9.310   6.439
  230   1HG   LYS  31          2HG       LYS  31  -1.891  -9.100   8.003
  231   2HG   LYS  31          1HG       LYS  31  -2.997  -8.693   6.689
  232   1HD   LYS  31          2HD       LYS  31  -3.141 -11.348   6.525
  233   2HD   LYS  31          1HD       LYS  31  -2.727 -11.213   8.236
  234   1HE   LYS  31          2HE       LYS  31  -4.634  -9.406   8.218
  235   2HE   LYS  31          1HE       LYS  31  -5.152 -10.275   6.776
  236   1HZ   LYS  31          1HZ       LYS  31  -4.718 -11.504   9.445
  237   2HZ   LYS  31          2HZ       LYS  31  -5.277 -12.300   8.056
  238   3HZ   LYS  31          3HZ       LYS  31  -6.226 -11.101   8.786
  239    H    THR  32           H        THR  32  -1.458  -7.651   2.638
  240    HA   THR  32           HA       THR  32   1.089  -6.397   3.443
  241    HB   THR  32           HB       THR  32   0.482  -6.131   0.607
  242    HG1  THR  32           1HG      THR  32  -0.265  -8.389   1.260
  243   1HG2  THR  32          1HG2      THR  32   2.685  -5.846   0.606
  244   2HG2  THR  32          2HG2      THR  32   2.927  -7.498   1.175
  245   3HG2  THR  32          3HG2      THR  32   2.710  -6.190   2.338
  246    H    THR  33           H        THR  33   1.263  -4.176   3.232
  247    HA   THR  33           HA       THR  33  -1.205  -2.737   2.486
  248    HB   THR  33           HB       THR  33   0.464  -1.212   4.281
  249    HG1  THR  33           1HG      THR  33   0.188  -3.859   4.873
  250   1HG2  THR  33          1HG2      THR  33  -1.531  -0.510   5.046
  251   2HG2  THR  33          2HG2      THR  33  -2.159  -2.152   5.208
  252   3HG2  THR  33          3HG2      THR  33  -2.170  -1.351   3.635
  253    H    THR  34           H        THR  34  -0.699  -1.972   0.496
  254    HA   THR  34           HA       THR  34   1.806  -0.450   0.260
  255    HB   THR  34           HB       THR  34   1.952  -2.581  -0.975
  256    HG1  THR  34           1HG      THR  34   2.754  -1.624  -2.840
  257   1HG2  THR  34          1HG2      THR  34  -0.064  -1.565  -2.944
  258   2HG2  THR  34          2HG2      THR  34  -0.599  -2.484  -1.536
  259   3HG2  THR  34          3HG2      THR  34   0.523  -3.209  -2.686
  260    H    TRP  35           H        TRP  35   1.734   1.478  -0.904
  261    HA   TRP  35           HA       TRP  35  -0.902   2.565  -1.497
  262   1HB   TRP  35          2HB       TRP  35   1.733   3.939  -2.003
  263   2HB   TRP  35          1HB       TRP  35   0.157   4.663  -1.743
  264    HD1  TRP  35           HD       TRP  35   3.053   3.044   0.165
  265    HE1  TRP  35           1HE      TRP  35   2.906   3.759   2.625
  266    HE3  TRP  35           3HE      TRP  35  -1.454   5.443   0.042
  267    HZ2  TRP  35           2HZ      TRP  35   1.101   5.160   4.304
  268    HZ3  TRP  35           3HZ      TRP  35  -2.320   6.435   2.106
  269    HH2  TRP  35           HH       TRP  35  -1.073   6.301   4.189
  270    H    GLU  36           H        GLU  36   1.628   0.961  -2.979
  271    HA   GLU  36           HA       GLU  36   1.367   2.130  -5.603
  272   1HB   GLU  36          2HB       GLU  36   2.857  -0.408  -5.071
  273   2HB   GLU  36          1HB       GLU  36   3.254   0.910  -6.168
  274   1HG   GLU  36          2HG       GLU  36   3.420   1.062  -3.158
  275   2HG   GLU  36          1HG       GLU  36   4.783   0.749  -4.235
  276    H    ASP  37           H        ASP  37  -0.243   1.605  -6.879
  277    HA   ASP  37           HA       ASP  37  -1.974  -0.578  -6.473
  278   1HB   ASP  37          2HB       ASP  37  -2.805   1.377  -7.583
  279   2HB   ASP  37          1HB       ASP  37  -1.579   1.257  -8.841
  280    HA   PRO  38           HA       PRO  38   0.632  -3.638  -8.339
  281   1HB   PRO  38          2HB       PRO  38  -0.852  -5.783  -7.712
  282   2HB   PRO  38          1HB       PRO  38   0.032  -4.868  -6.485
  283   1HG   PRO  38          2HG       PRO  38  -2.873  -4.780  -7.189
  284   2HG   PRO  38          1HG       PRO  38  -2.102  -4.750  -5.592
  285   1HD   PRO  38          2HD       PRO  38  -3.022  -2.515  -6.918
  286   2HD   PRO  38          1HD       PRO  38  -1.754  -2.491  -5.677
  287    H    ARG  39           H        ARG  39  -2.051  -2.416  -9.730
  288    HA   ARG  39           HA       ARG  39  -2.189  -4.520 -11.769
  289   1HB   ARG  39          2HB       ARG  39  -3.956  -2.189 -12.069
  290   2HB   ARG  39          1HB       ARG  39  -4.314  -3.902 -12.203
  291   1HG   ARG  39          2HG       ARG  39  -3.786  -2.887  -9.486
  292   2HG   ARG  39          1HG       ARG  39  -5.273  -2.341 -10.261
  293   1HD   ARG  39          2HD       ARG  39  -4.935  -4.694  -8.879
  294   2HD   ARG  39          1HD       ARG  39  -6.257  -4.316  -9.977
  295    HE   ARG  39           HE       ARG  39  -3.804  -5.719 -10.840
  296   1HH1  ARG  39          2HH1      ARG  39  -7.281  -5.267 -10.918
  297   2HH1  ARG  39          1HH1      ARG  39  -7.561  -6.633 -11.960
  298   1HH2  ARG  39          2HH2      ARG  39  -4.151  -7.486 -12.224
  299   2HH2  ARG  39          1HH2      ARG  39  -5.771  -7.913 -12.695
  300    H    LEU  40           H        LEU  40  -1.715  -1.034 -11.339
  301    HA   LEU  40           HA       LEU  40  -0.817  -0.603 -14.023
  302   1HB   LEU  40          2HB       LEU  40  -0.311   1.077 -11.560
  303   2HB   LEU  40          1HB       LEU  40  -0.112   1.596 -13.222
  304    HG   LEU  40           HG       LEU  40  -2.792   0.688 -12.218
  305   1HD1  LEU  40          1HD1      LEU  40  -3.343   2.881 -11.516
  306   2HD1  LEU  40          2HD1      LEU  40  -1.824   2.472 -10.719
  307   3HD1  LEU  40          3HD1      LEU  40  -1.822   3.535 -12.126
  308   1HD2  LEU  40          1HD2      LEU  40  -2.678   0.913 -14.574
  309   2HD2  LEU  40          2HD2      LEU  40  -3.503   2.349 -13.975
  310   3HD2  LEU  40          3HD2      LEU  40  -1.810   2.442 -14.457
  311    H    LYS  41           H        LYS  41   0.744  -1.251 -10.933
  312    HA   LYS  41           HA       LYS  41   3.342  -1.409 -12.297
  313   1HB   LYS  41          2HB       LYS  41   2.850  -1.467  -9.318
  314   2HB   LYS  41          1HB       LYS  41   4.378  -1.211 -10.146
  315   1HG   LYS  41          2HG       LYS  41   3.790   0.962 -10.792
  316   2HG   LYS  41          1HG       LYS  41   2.080   0.692 -10.449
  317   1HD   LYS  41          2HD       LYS  41   2.754   1.946  -8.623
  318   2HD   LYS  41          1HD       LYS  41   2.896   0.296  -8.014
  319   1HE   LYS  41          2HE       LYS  41   5.076   0.547  -7.667
  320   2HE   LYS  41          1HE       LYS  41   5.331   1.110  -9.317
  321   1HZ   LYS  41          1HZ       LYS  41   4.563   3.333  -8.545
  322   2HZ   LYS  41          2HZ       LYS  41   6.018   2.823  -7.839
  323   3HZ   LYS  41          3HZ       LYS  41   4.575   2.746  -6.953
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1 -14.994  11.344 -13.001
    2   2H    GLY   1          2H        GLY   1 -14.546  12.495 -11.840
    3   3H    GLY   1          3H        GLY   1 -15.231  11.024 -11.352
    4   1HA   GLY   1          2HA       GLY   1 -12.564  11.453 -12.572
    5   2HA   GLY   1          1HA       GLY   1 -12.913  10.890 -10.940
    6    H    SER   2           H        SER   2 -11.308   9.249 -12.014
    7    HA   SER   2           HA       SER   2 -12.899   7.147 -13.320
    8   1HB   SER   2          2HB       SER   2 -10.136   6.527 -13.464
    9   2HB   SER   2          1HB       SER   2 -11.203   7.017 -14.780
   10    HG   SER   2           HG       SER   2 -10.410   8.988 -14.723
   11    HA   PRO   3           HA       PRO   3 -12.247   5.087  -9.352
   12   1HB   PRO   3          2HB       PRO   3 -14.188   3.252  -9.669
   13   2HB   PRO   3          1HB       PRO   3 -14.540   4.926  -9.227
   14   1HG   PRO   3          2HG       PRO   3 -14.751   3.589 -11.894
   15   2HG   PRO   3          1HG       PRO   3 -15.849   4.753 -11.132
   16   1HD   PRO   3          2HD       PRO   3 -13.990   5.415 -13.039
   17   2HD   PRO   3          1HD       PRO   3 -14.619   6.549 -11.828
   18    H    GLY   4           H        GLY   4 -12.042   3.928 -12.582
   19   1HA   GLY   4          1HA       GLY   4  -9.955   2.431 -12.743
   20   2HA   GLY   4          2HA       GLY   4 -10.889   1.373 -11.696
   21    H    ILE   5           H        ILE   5 -10.378   2.491 -14.902
   22    HA   ILE   5           HA       ILE   5 -12.774   1.353 -16.019
   23    HB   ILE   5           HB       ILE   5 -10.249   2.098 -17.501
   24   1HG1  ILE   5          2HG1      ILE   5 -11.093   3.995 -16.143
   25   2HG1  ILE   5          1HG1      ILE   5 -11.226   4.298 -17.873
   26   1HG2  ILE   5          1HG2      ILE   5 -11.411   1.081 -19.142
   27   2HG2  ILE   5          2HG2      ILE   5 -12.949   1.242 -18.296
   28   3HG2  ILE   5          3HG2      ILE   5 -12.292   2.609 -19.194
   29   1HD1  ILE   5          1HD1      ILE   5 -13.475   4.367 -17.814
   30   2HD1  ILE   5          2HD1      ILE   5 -13.594   3.119 -16.573
   31   3HD1  ILE   5          3HD1      ILE   5 -13.192   4.775 -16.121
   32    H    GLN   6           H        GLN   6 -12.744  -0.755 -15.227
   33    HA   GLN   6           HA       GLN   6 -12.541  -2.993 -15.466
   34   1HB   GLN   6          2HB       GLN   6 -11.466  -1.976 -17.962
   35   2HB   GLN   6          1HB       GLN   6 -10.693  -3.476 -17.479
   36   1HG   GLN   6          2HG       GLN   6 -13.665  -3.263 -17.433
   37   2HG   GLN   6          1HG       GLN   6 -12.820  -3.526 -18.958
   38   1HE2  GLN   6          1HE2      GLN   6 -14.638  -5.220 -17.321
   39   2HE2  GLN   6          2HE2      GLN   6 -13.778  -6.711 -17.114
   40    H    SER   7           H        SER   7 -10.168  -0.979 -14.543
   41    HA   SER   7           HA       SER   7  -8.034  -2.881 -14.215
   42   1HB   SER   7          2HB       SER   7  -7.637  -0.597 -12.592
   43   2HB   SER   7          1HB       SER   7  -6.869  -0.981 -14.131
   44    HG   SER   7           HG       SER   7  -7.893   0.750 -14.779
   45    H    PHE   8           H        PHE   8  -9.051  -4.486 -12.977
   46    HA   PHE   8           HA       PHE   8  -9.936  -3.748 -10.303
   47   1HB   PHE   8          2HB       PHE   8 -10.157  -6.458 -11.622
   48   2HB   PHE   8          1HB       PHE   8 -11.005  -5.894 -10.190
   49    HD1  PHE   8           1HD      PHE   8 -12.254  -3.476 -10.785
   50    HD2  PHE   8           2HD      PHE   8 -11.530  -6.736 -13.427
   51    HE1  PHE   8           1HE      PHE   8 -14.143  -2.753 -12.190
   52    HE2  PHE   8           2HE      PHE   8 -13.413  -6.017 -14.834
   53    HZ   PHE   8           HZ       PHE   8 -14.723  -4.024 -14.219
   54    H    LEU   9           H        LEU   9  -9.456  -5.940  -8.903
   55    HA   LEU   9           HA       LEU   9  -6.590  -6.494  -9.069
   56   1HB   LEU   9          2HB       LEU   9  -7.746  -6.110  -6.357
   57   2HB   LEU   9          1HB       LEU   9  -6.118  -5.844  -6.934
   58    HG   LEU   9           HG       LEU   9  -7.999  -3.961  -8.101
   59   1HD1  LEU   9          1HD1      LEU   9  -7.978  -4.373  -5.160
   60   2HD1  LEU   9          2HD1      LEU   9  -7.931  -2.712  -5.754
   61   3HD1  LEU   9          3HD1      LEU   9  -9.261  -3.775  -6.213
   62   1HD2  LEU   9          1HD2      LEU   9  -6.213  -2.454  -6.913
   63   2HD2  LEU   9          2HD2      LEU   9  -5.345  -3.984  -6.752
   64   3HD2  LEU   9          3HD2      LEU   9  -5.795  -3.388  -8.350
   65    HA   PRO  10           HA       PRO  10  -7.718 -10.671  -7.971
   66   1HB   PRO  10          2HB       PRO  10  -5.575 -10.703  -5.939
   67   2HB   PRO  10          1HB       PRO  10  -5.765 -11.702  -7.382
   68   1HG   PRO  10          2HG       PRO  10  -3.893  -9.796  -7.243
   69   2HG   PRO  10          1HG       PRO  10  -4.752 -10.143  -8.754
   70   1HD   PRO  10          2HD       PRO  10  -5.186  -7.916  -6.796
   71   2HD   PRO  10          1HD       PRO  10  -5.194  -7.867  -8.571
   72    HA   PRO  11           HA       PRO  11 -10.450 -10.494  -4.484
   73   1HB   PRO  11          2HB       PRO  11  -9.607 -13.328  -4.096
   74   2HB   PRO  11          1HB       PRO  11 -11.234 -12.640  -4.180
   75   1HG   PRO  11          2HG       PRO  11 -10.222 -13.968  -6.248
   76   2HG   PRO  11          1HG       PRO  11 -11.198 -12.510  -6.499
   77   1HD   PRO  11          2HD       PRO  11  -8.248 -12.874  -6.705
   78   2HD   PRO  11          1HD       PRO  11  -9.326 -11.826  -7.649
   79    H    GLY  12           H        GLY  12  -9.893  -9.519  -2.652
   80   1HA   GLY  12          1HA       GLY  12  -9.017  -9.985  -0.372
   81   2HA   GLY  12          2HA       GLY  12  -7.562 -10.560  -1.175
   82    H    TRP  13           H        TRP  13  -7.860  -8.341  -3.193
   83    HA   TRP  13           HA       TRP  13  -6.343  -6.402  -1.676
   84   1HB   TRP  13          2HB       TRP  13  -6.967  -6.759  -4.588
   85   2HB   TRP  13          1HB       TRP  13  -6.239  -5.270  -3.992
   86    HD1  TRP  13           HD       TRP  13  -5.457  -8.899  -4.703
   87    HE1  TRP  13           1HE      TRP  13  -2.928  -9.294  -4.428
   88    HE3  TRP  13           3HE      TRP  13  -4.171  -4.409  -2.635
   89    HZ2  TRP  13           2HZ      TRP  13  -0.688  -7.876  -3.450
   90    HZ3  TRP  13           3HZ      TRP  13  -1.815  -4.006  -2.059
   91    HH2  TRP  13           HH       TRP  13  -0.105  -5.707  -2.460
   92    H    GLU  14           H        GLU  14  -7.086  -4.609  -0.835
   93    HA   GLU  14           HA       GLU  14  -9.684  -3.565  -1.757
   94   1HB   GLU  14          2HB       GLU  14 -10.287  -4.470   0.277
   95   2HB   GLU  14          1HB       GLU  14  -8.701  -4.236   0.982
   96   1HG   GLU  14          2HG       GLU  14  -9.178  -2.169   1.717
   97   2HG   GLU  14          1HG       GLU  14 -10.212  -1.790   0.340
   98    H    MET  15           H        MET  15  -9.488  -1.545  -2.512
   99    HA   MET  15           HA       MET  15  -7.209   0.069  -1.691
  100   1HB   MET  15          2HB       MET  15  -7.901   1.667  -3.397
  101   2HB   MET  15          1HB       MET  15  -7.792   0.047  -4.071
  102   1HG   MET  15          2HG       MET  15 -10.023  -0.100  -4.449
  103   2HG   MET  15          1HG       MET  15 -10.439   0.957  -3.100
  104   1HE   MET  15          1HE       MET  15 -11.749   2.480  -3.536
  105   2HE   MET  15          2HE       MET  15 -10.862   3.982  -3.797
  106   3HE   MET  15          3HE       MET  15 -12.005   3.411  -5.012
  107    H    ARG  16           H        ARG  16  -7.276   1.455  -0.101
  108    HA   ARG  16           HA       ARG  16  -9.848   2.737   0.558
  109   1HB   ARG  16          2HB       ARG  16  -7.770   1.611   2.445
  110   2HB   ARG  16          1HB       ARG  16  -8.977   2.782   2.955
  111   1HG   ARG  16          2HG       ARG  16 -10.762   1.264   2.461
  112   2HG   ARG  16          1HG       ARG  16  -9.641   0.118   1.723
  113   1HD   ARG  16          2HD       ARG  16 -10.332  -0.510   4.022
  114   2HD   ARG  16          1HD       ARG  16  -8.590  -0.302   3.840
  115    HE   ARG  16           HE       ARG  16  -9.240   2.100   4.709
  116   1HH1  ARG  16          2HH1      ARG  16 -10.371  -1.021   5.842
  117   2HH1  ARG  16          1HH1      ARG  16 -10.650  -0.464   7.466
  118   1HH2  ARG  16          2HH2      ARG  16  -9.645   2.838   6.812
  119   2HH2  ARG  16          1HH2      ARG  16 -10.259   1.744   8.023
  120    H    ILE  17           H        ILE  17  -9.713   4.929   1.095
  121    HA   ILE  17           HA       ILE  17  -7.234   6.171   0.193
  122    HB   ILE  17           HB       ILE  17  -9.476   7.896   1.075
  123   1HG1  ILE  17          2HG1      ILE  17 -10.554   5.932  -0.138
  124   2HG1  ILE  17          1HG1      ILE  17 -10.855   7.519  -0.833
  125   1HG2  ILE  17          1HG2      ILE  17  -7.363   8.729   0.090
  126   2HG2  ILE  17          2HG2      ILE  17  -7.777   7.904  -1.413
  127   3HG2  ILE  17          3HG2      ILE  17  -8.796   9.216  -0.816
  128   1HD1  ILE  17          1HD1      ILE  17  -8.722   5.661  -1.844
  129   2HD1  ILE  17          2HD1      ILE  17 -10.369   5.697  -2.474
  130   3HD1  ILE  17          3HD1      ILE  17  -9.343   7.123  -2.611
  131    H    ALA  18           H        ALA  18  -5.755   6.945   1.492
  132    HA   ALA  18           HA       ALA  18  -6.225   6.991   4.363
  133   1HB   ALA  18          1HB       ALA  18  -4.210   5.954   3.922
  134   2HB   ALA  18          2HB       ALA  18  -3.819   7.049   2.596
  135   3HB   ALA  18          3HB       ALA  18  -3.684   7.604   4.265
  136    HA   PRO  19           HA       PRO  19  -6.674  11.314   5.004
  137   1HB   PRO  19          2HB       PRO  19  -4.705  11.975   6.811
  138   2HB   PRO  19          1HB       PRO  19  -6.226  11.181   7.225
  139   1HG   PRO  19          2HG       PRO  19  -3.525   9.979   6.781
  140   2HG   PRO  19          1HG       PRO  19  -4.732   9.603   8.026
  141   1HD   PRO  19          2HD       PRO  19  -4.420   8.032   5.880
  142   2HD   PRO  19          1HD       PRO  19  -6.026   8.342   6.572
  143    H    ASN  20           H        ASN  20  -3.588  10.261   3.826
  144    HA   ASN  20           HA       ASN  20  -2.679  12.958   3.247
  145   1HB   ASN  20          2HB       ASN  20  -1.200  11.073   1.707
  146   2HB   ASN  20          1HB       ASN  20  -0.661  12.000   3.100
  147   1HD2  ASN  20          1HD2      ASN  20   0.372  10.696   4.400
  148   2HD2  ASN  20          2HD2      ASN  20  -0.134   9.108   4.869
  149    H    GLY  21           H        GLY  21  -4.965  10.989   1.987
  150   1HA   GLY  21          1HA       GLY  21  -6.284  11.388   0.113
  151   2HA   GLY  21          2HA       GLY  21  -5.080  12.534  -0.459
  152    H    ARG  22           H        ARG  22  -3.970   9.430   0.501
  153    HA   ARG  22           HA       ARG  22  -3.597   8.732  -2.330
  154   1HB   ARG  22          2HB       ARG  22  -2.102   7.379  -0.118
  155   2HB   ARG  22          1HB       ARG  22  -1.642   7.593  -1.798
  156   1HG   ARG  22          2HG       ARG  22  -1.590   9.652   0.388
  157   2HG   ARG  22          1HG       ARG  22  -0.216   8.928  -0.438
  158   1HD   ARG  22          2HD       ARG  22  -2.292  10.700  -1.722
  159   2HD   ARG  22          1HD       ARG  22  -0.665  11.193  -1.259
  160    HE   ARG  22           HE       ARG  22   0.109   9.461  -2.905
  161   1HH1  ARG  22          2HH1      ARG  22  -3.028  10.992  -3.233
  162   2HH1  ARG  22          1HH1      ARG  22  -3.087  10.784  -4.954
  163   1HH2  ARG  22          2HH2      ARG  22   0.024   9.171  -5.173
  164   2HH2  ARG  22          1HH2      ARG  22  -1.352   9.778  -6.058
  165    HA   PRO  23           HA       PRO  23  -6.352   5.228  -1.544
  166   1HB   PRO  23          2HB       PRO  23  -5.402   4.629  -4.286
  167   2HB   PRO  23          1HB       PRO  23  -7.047   4.669  -3.648
  168   1HG   PRO  23          2HG       PRO  23  -6.158   6.615  -5.242
  169   2HG   PRO  23          1HG       PRO  23  -7.209   6.983  -3.861
  170   1HD   PRO  23          2HD       PRO  23  -4.240   7.306  -4.119
  171   2HD   PRO  23          1HD       PRO  23  -5.429   8.387  -3.361
  172    H    PHE  24           H        PHE  24  -5.394   3.780  -0.295
  173    HA   PHE  24           HA       PHE  24  -2.933   2.516  -1.281
  174   1HB   PHE  24          2HB       PHE  24  -2.174   2.164   0.940
  175   2HB   PHE  24          1HB       PHE  24  -2.719   3.828   0.874
  176    HD1  PHE  24           1HD      PHE  24  -3.408   0.486   2.243
  177    HD2  PHE  24           2HD      PHE  24  -4.609   4.568   2.121
  178    HE1  PHE  24           1HE      PHE  24  -4.811   0.133   4.226
  179    HE2  PHE  24           2HE      PHE  24  -6.014   4.218   4.096
  180    HZ   PHE  24           HZ       PHE  24  -6.123   1.999   5.157
  181    H    PHE  25           H        PHE  25  -2.800   0.351  -1.318
  182    HA   PHE  25           HA       PHE  25  -5.402  -0.984  -1.180
  183   1HB   PHE  25          2HB       PHE  25  -2.954  -1.663  -2.823
  184   2HB   PHE  25          1HB       PHE  25  -4.450  -2.593  -2.810
  185    HD1  PHE  25           1HD      PHE  25  -5.981  -2.179  -4.483
  186    HD2  PHE  25           2HD      PHE  25  -3.311   0.926  -3.325
  187    HE1  PHE  25           1HE      PHE  25  -6.906  -0.724  -6.240
  188    HE2  PHE  25           2HE      PHE  25  -4.231   2.383  -5.071
  189    HZ   PHE  25           HZ       PHE  25  -6.037   1.565  -6.531
  190    H    ILE  26           H        ILE  26  -5.726  -2.191   0.435
  191    HA   ILE  26           HA       ILE  26  -3.410  -3.342   1.791
  192    HB   ILE  26           HB       ILE  26  -4.911  -1.839   3.083
  193   1HG1  ILE  26          2HG1      ILE  26  -3.510  -3.877   3.917
  194   2HG1  ILE  26          1HG1      ILE  26  -4.536  -2.975   5.023
  195   1HG2  ILE  26          1HG2      ILE  26  -6.966  -3.402   1.996
  196   2HG2  ILE  26          2HG2      ILE  26  -6.980  -3.666   3.740
  197   3HG2  ILE  26          3HG2      ILE  26  -7.087  -2.027   3.094
  198   1HD1  ILE  26          1HD1      ILE  26  -4.703  -5.388   5.360
  199   2HD1  ILE  26          2HD1      ILE  26  -6.242  -4.686   4.862
  200   3HD1  ILE  26          3HD1      ILE  26  -5.263  -5.576   3.697
  201    H    ASP  27           H        ASP  27  -2.955  -5.302   1.264
  202    HA   ASP  27           HA       ASP  27  -4.844  -7.040  -0.029
  203   1HB   ASP  27          2HB       ASP  27  -2.719  -7.390  -0.880
  204   2HB   ASP  27          1HB       ASP  27  -1.944  -7.187   0.689
  205    H    HIS  28           H        HIS  28  -6.205  -8.333   0.977
  206    HA   HIS  28           HA       HIS  28  -5.971  -8.600   3.862
  207   1HB   HIS  28          2HB       HIS  28  -8.179  -9.092   1.887
  208   2HB   HIS  28          1HB       HIS  28  -8.297  -9.694   3.537
  209    HD1  HIS  28           1HD      HIS  28  -8.164  -7.778   5.450
  210    HD2  HIS  28           2HD      HIS  28  -8.888  -6.481   1.562
  211    HE1  HIS  28           1HE      HIS  28  -9.018  -5.415   5.658
  212    HE2  HIS  28           2HE      HIS  28  -9.722  -4.785   3.322
  213    H    ASN  29           H        ASN  29  -4.831 -10.338   1.306
  214    HA   ASN  29           HA       ASN  29  -5.479 -12.982   2.261
  215   1HB   ASN  29          2HB       ASN  29  -3.510 -12.021   0.171
  216   2HB   ASN  29          1HB       ASN  29  -3.864 -13.707   0.506
  217   1HD2  ASN  29          1HD2      ASN  29  -4.766 -10.922  -1.185
  218   2HD2  ASN  29          2HD2      ASN  29  -6.213 -11.552  -1.918
  219    H    THR  30           H        THR  30  -2.489 -11.071   1.935
  220    HA   THR  30           HA       THR  30  -1.311 -12.747   4.051
  221    HB   THR  30           HB       THR  30   0.870 -12.328   3.085
  222    HG1  THR  30           1HG      THR  30  -0.587 -10.540   1.430
  223   1HG2  THR  30          1HG2      THR  30  -0.153 -14.228   2.141
  224   2HG2  THR  30          2HG2      THR  30   0.466 -13.316   0.764
  225   3HG2  THR  30          3HG2      THR  30  -1.252 -13.250   1.165
  226    H    LYS  31           H        LYS  31  -2.746  -9.916   3.716
  227    HA   LYS  31           HA       LYS  31  -2.880  -8.043   4.970
  228   1HB   LYS  31          2HB       LYS  31  -1.018  -9.611   6.750
  229   2HB   LYS  31          1HB       LYS  31  -1.702  -8.055   7.197
  230   1HG   LYS  31          2HG       LYS  31  -3.565  -9.021   7.890
  231   2HG   LYS  31          1HG       LYS  31  -3.796  -9.798   6.321
  232   1HD   LYS  31          2HD       LYS  31  -2.219 -11.586   7.042
  233   2HD   LYS  31          1HD       LYS  31  -2.159 -10.830   8.638
  234   1HE   LYS  31          2HE       LYS  31  -4.884 -11.148   7.920
  235   2HE   LYS  31          1HE       LYS  31  -4.063 -12.675   7.607
  236   1HZ   LYS  31          1HZ       LYS  31  -3.146 -12.517   9.892
  237   2HZ   LYS  31          2HZ       LYS  31  -4.829 -12.697   9.834
  238   3HZ   LYS  31          3HZ       LYS  31  -4.154 -11.178  10.165
  239    H    THR  32           H        THR  32  -1.683  -7.250   2.999
  240    HA   THR  32           HA       THR  32   0.838  -5.975   3.849
  241    HB   THR  32           HB       THR  32   0.306  -6.138   0.952
  242    HG1  THR  32           1HG      THR  32  -0.281  -8.250   1.416
  243   1HG2  THR  32          1HG2      THR  32   2.839  -7.156   1.862
  244   2HG2  THR  32          2HG2      THR  32   2.468  -5.622   2.647
  245   3HG2  THR  32          3HG2      THR  32   2.489  -5.725   0.887
  246    H    THR  33           H        THR  33   1.136  -3.778   3.243
  247    HA   THR  33           HA       THR  33  -1.311  -2.425   2.277
  248    HB   THR  33           HB       THR  33  -0.090  -0.507   3.820
  249    HG1  THR  33           1HG      THR  33   0.063  -2.991   5.236
  250   1HG2  THR  33          1HG2      THR  33  -1.904  -1.498   5.559
  251   2HG2  THR  33          2HG2      THR  33  -2.419  -2.303   4.074
  252   3HG2  THR  33          3HG2      THR  33  -2.329  -0.543   4.138
  253    H    THR  34           H        THR  34  -0.818  -1.712   0.296
  254    HA   THR  34           HA       THR  34   1.757  -0.330  -0.084
  255    HB   THR  34           HB       THR  34   1.536  -2.612  -1.237
  256    HG1  THR  34           1HG      THR  34   2.739  -1.880  -2.929
  257   1HG2  THR  34          1HG2      THR  34  -0.216  -3.004  -2.549
  258   2HG2  THR  34          2HG2      THR  34   0.286  -1.684  -3.604
  259   3HG2  THR  34          3HG2      THR  34  -0.816  -1.372  -2.263
  260    H    TRP  35           H        TRP  35   1.712   1.542  -1.421
  261    HA   TRP  35           HA       TRP  35  -0.931   2.769  -1.653
  262   1HB   TRP  35          2HB       TRP  35   1.737   3.999  -2.346
  263   2HB   TRP  35          1HB       TRP  35   0.219   4.826  -2.054
  264    HD1  TRP  35           HD       TRP  35   3.137   3.205  -0.257
  265    HE1  TRP  35           1HE      TRP  35   3.058   3.849   2.228
  266    HE3  TRP  35           3HE      TRP  35  -1.442   5.497  -0.160
  267    HZ2  TRP  35           2HZ      TRP  35   1.283   5.172   3.995
  268    HZ3  TRP  35           3HZ      TRP  35  -2.245   6.419   1.956
  269    HH2  TRP  35           HH       TRP  35  -0.918   6.272   3.980
  270    H    GLU  36           H        GLU  36   1.251   1.057  -3.498
  271    HA   GLU  36           HA       GLU  36   0.350   2.240  -6.029
  272   1HB   GLU  36          2HB       GLU  36   2.476   0.427  -6.478
  273   2HB   GLU  36          1HB       GLU  36   2.516   2.182  -6.591
  274   1HG   GLU  36          2HG       GLU  36   2.724   1.800  -3.897
  275   2HG   GLU  36          1HG       GLU  36   3.590   0.404  -4.532
  276    H    ASP  37           H        ASP  37  -1.346   1.158  -6.832
  277    HA   ASP  37           HA       ASP  37  -2.184  -1.332  -5.977
  278   1HB   ASP  37          2HB       ASP  37  -3.344  -1.058  -8.433
  279   2HB   ASP  37          1HB       ASP  37  -3.988  -0.429  -6.935
  280    HA   PRO  38           HA       PRO  38   0.229  -4.100  -8.314
  281   1HB   PRO  38          2HB       PRO  38  -1.227  -6.345  -7.993
  282   2HB   PRO  38          1HB       PRO  38  -0.351  -5.587  -6.659
  283   1HG   PRO  38          2HG       PRO  38  -3.256  -5.558  -7.281
  284   2HG   PRO  38          1HG       PRO  38  -2.440  -5.545  -5.709
  285   1HD   PRO  38          2HD       PRO  38  -3.531  -3.325  -7.018
  286   2HD   PRO  38          1HD       PRO  38  -2.400  -3.269  -5.656
  287    H    ARG  39           H        ARG  39  -2.431  -2.747  -9.578
  288    HA   ARG  39           HA       ARG  39  -2.498  -4.508 -11.882
  289   1HB   ARG  39          2HB       ARG  39  -4.555  -3.593 -12.458
  290   2HB   ARG  39          1HB       ARG  39  -4.624  -3.719 -10.714
  291   1HG   ARG  39          2HG       ARG  39  -3.686  -1.278 -10.882
  292   2HG   ARG  39          1HG       ARG  39  -4.475  -1.355 -12.450
  293   1HD   ARG  39          2HD       ARG  39  -6.542  -1.350 -11.549
  294   2HD   ARG  39          1HD       ARG  39  -6.050  -2.388 -10.195
  295    HE   ARG  39           HE       ARG  39  -4.746  -0.075  -9.771
  296   1HH1  ARG  39          2HH1      ARG  39  -8.134  -0.919 -10.173
  297   2HH1  ARG  39          1HH1      ARG  39  -8.716   0.442  -9.260
  298   1HH2  ARG  39          2HH2      ARG  39  -5.527   1.760  -8.630
  299   2HH2  ARG  39          1HH2      ARG  39  -7.236   1.985  -8.415
  300    H    LEU  40           H        LEU  40  -0.973  -1.816 -10.722
  301    HA   LEU  40           HA       LEU  40  -0.581  -0.564 -13.328
  302   1HB   LEU  40          2HB       LEU  40   0.244   0.125 -10.521
  303   2HB   LEU  40          1HB       LEU  40   0.983   0.917 -11.898
  304    HG   LEU  40           HG       LEU  40  -1.988   0.917 -11.431
  305   1HD1  LEU  40          1HD1      LEU  40  -1.386   2.055  -9.563
  306   2HD1  LEU  40          2HD1      LEU  40   0.158   2.581 -10.238
  307   3HD1  LEU  40          3HD1      LEU  40  -1.340   3.378 -10.730
  308   1HD2  LEU  40          1HD2      LEU  40  -0.617   3.105 -12.847
  309   2HD2  LEU  40          2HD2      LEU  40  -0.607   1.543 -13.667
  310   3HD2  LEU  40          3HD2      LEU  40  -2.138   2.289 -13.211
  311    H    LYS  41           H        LYS  41   1.254  -2.160 -10.762
  312    HA   LYS  41           HA       LYS  41   3.263  -2.947 -12.739
  313   1HB   LYS  41          2HB       LYS  41   4.779  -2.587 -10.475
  314   2HB   LYS  41          1HB       LYS  41   4.705  -1.474 -11.834
  315   1HG   LYS  41          2HG       LYS  41   3.847   0.114 -10.543
  316   2HG   LYS  41          1HG       LYS  41   2.530  -0.948 -10.043
  317   1HD   LYS  41          2HD       LYS  41   5.166  -1.449  -8.802
  318   2HD   LYS  41          1HD       LYS  41   4.355   0.048  -8.342
  319   1HE   LYS  41          2HE       LYS  41   3.406  -1.302  -6.796
  320   2HE   LYS  41          1HE       LYS  41   2.293  -1.634  -8.120
  321   1HZ   LYS  41          1HZ       LYS  41   4.712  -3.279  -7.766
  322   2HZ   LYS  41          2HZ       LYS  41   3.252  -3.677  -8.529
  323   3HZ   LYS  41          3HZ       LYS  41   3.327  -3.587  -6.836
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1 -22.356   2.638 -10.285
    2   2H    GLY   1          2H        GLY   1 -21.867   1.469 -11.414
    3   3H    GLY   1          3H        GLY   1 -21.940   3.102 -11.862
    4   1HA   GLY   1          2HA       GLY   1 -20.070   3.676 -10.638
    5   2HA   GLY   1          1HA       GLY   1 -20.171   2.206  -9.680
    6    H    SER   2           H        SER   2 -18.418   1.042 -10.106
    7    HA   SER   2           HA       SER   2 -17.015   1.089 -12.573
    8   1HB   SER   2          2HB       SER   2 -16.215  -1.210 -11.248
    9   2HB   SER   2          1HB       SER   2 -15.511   0.394 -11.037
   10    HG   SER   2           HG       SER   2 -16.842  -1.074  -9.257
   11    HA   PRO   3           HA       PRO   3 -19.043  -2.251 -14.807
   12   1HB   PRO   3          2HB       PRO   3 -16.413  -3.355 -15.527
   13   2HB   PRO   3          1HB       PRO   3 -17.660  -2.669 -16.572
   14   1HG   PRO   3          2HG       PRO   3 -15.341  -1.396 -16.103
   15   2HG   PRO   3          1HG       PRO   3 -16.866  -0.515 -16.318
   16   1HD   PRO   3          2HD       PRO   3 -15.414  -1.201 -13.781
   17   2HD   PRO   3          1HD       PRO   3 -16.208   0.319 -14.243
   18    H    GLY   4           H        GLY   4 -19.211  -2.858 -12.306
   19   1HA   GLY   4          1HA       GLY   4 -19.446  -5.432 -11.766
   20   2HA   GLY   4          2HA       GLY   4 -17.700  -5.250 -11.594
   21    H    ILE   5           H        ILE   5 -20.065  -5.691  -9.631
   22    HA   ILE   5           HA       ILE   5 -20.064  -3.239  -8.101
   23    HB   ILE   5           HB       ILE   5 -21.207  -5.711  -6.917
   24   1HG1  ILE   5          2HG1      ILE   5 -22.510  -4.262  -9.239
   25   2HG1  ILE   5          1HG1      ILE   5 -21.806  -5.871  -9.333
   26   1HG2  ILE   5          1HG2      ILE   5 -21.331  -3.501  -5.828
   27   2HG2  ILE   5          2HG2      ILE   5 -22.254  -2.897  -7.206
   28   3HG2  ILE   5          3HG2      ILE   5 -22.922  -4.173  -6.188
   29   1HD1  ILE   5          1HD1      ILE   5 -24.105  -5.108  -7.555
   30   2HD1  ILE   5          2HD1      ILE   5 -24.254  -5.884  -9.131
   31   3HD1  ILE   5          3HD1      ILE   5 -23.453  -6.728  -7.809
   32    H    GLN   6           H        GLN   6 -17.574  -3.744  -8.148
   33    HA   GLN   6           HA       GLN   6 -16.808  -3.913  -5.456
   34   1HB   GLN   6          2HB       GLN   6 -15.367  -5.898  -5.531
   35   2HB   GLN   6          1HB       GLN   6 -17.052  -6.337  -5.762
   36   1HG   GLN   6          2HG       GLN   6 -16.506  -6.253  -8.273
   37   2HG   GLN   6          1HG       GLN   6 -14.823  -6.298  -7.757
   38   1HE2  GLN   6          1HE2      GLN   6 -15.279  -7.981  -5.467
   39   2HE2  GLN   6          2HE2      GLN   6 -15.596  -9.564  -6.085
   40    H    SER   7           H        SER   7 -14.132  -4.300  -5.606
   41    HA   SER   7           HA       SER   7 -13.257  -2.174  -7.341
   42   1HB   SER   7          2HB       SER   7 -11.411  -3.928  -5.747
   43   2HB   SER   7          1HB       SER   7 -11.254  -2.212  -6.131
   44    HG   SER   7           HG       SER   7 -13.196  -1.950  -4.761
   45    H    PHE   8           H        PHE   8 -11.457  -2.435  -8.865
   46    HA   PHE   8           HA       PHE   8 -11.923  -4.734 -10.538
   47   1HB   PHE   8          2HB       PHE   8 -11.039  -2.079 -10.904
   48   2HB   PHE   8          1HB       PHE   8  -9.754  -3.135 -11.479
   49    HD1  PHE   8           1HD      PHE   8 -10.874  -5.302 -12.777
   50    HD2  PHE   8           2HD      PHE   8 -12.429  -1.346 -12.572
   51    HE1  PHE   8           1HE      PHE   8 -12.129  -5.694 -14.858
   52    HE2  PHE   8           2HE      PHE   8 -13.689  -1.729 -14.652
   53    HZ   PHE   8           HZ       PHE   8 -13.541  -3.906 -15.797
   54    H    LEU   9           H        LEU   9 -10.283  -4.687  -7.915
   55    HA   LEU   9           HA       LEU   9  -7.932  -6.133  -8.907
   56   1HB   LEU   9          2HB       LEU   9  -8.327  -5.603  -6.000
   57   2HB   LEU   9          1HB       LEU   9  -6.849  -5.662  -6.934
   58    HG   LEU   9           HG       LEU   9  -8.404  -3.414  -7.801
   59   1HD1  LEU   9          1HD1      LEU   9  -9.476  -3.131  -5.770
   60   2HD1  LEU   9          2HD1      LEU   9  -8.124  -3.787  -4.849
   61   3HD1  LEU   9          3HD1      LEU   9  -8.011  -2.171  -5.554
   62   1HD2  LEU   9          1HD2      LEU   9  -5.913  -3.220  -6.193
   63   2HD2  LEU   9          2HD2      LEU   9  -5.858  -4.031  -7.760
   64   3HD2  LEU   9          3HD2      LEU   9  -6.385  -2.348  -7.654
   65    HA   PRO  10           HA       PRO  10  -9.394 -10.122  -7.441
   66   1HB   PRO  10          2HB       PRO  10  -7.148 -10.148  -5.483
   67   2HB   PRO  10          1HB       PRO  10  -7.613 -11.368  -6.677
   68   1HG   PRO  10          2HG       PRO  10  -5.493  -9.826  -7.094
   69   2HG   PRO  10          1HG       PRO  10  -6.588 -10.228  -8.429
   70   1HD   PRO  10          2HD       PRO  10  -6.356  -7.690  -6.861
   71   2HD   PRO  10          1HD       PRO  10  -6.657  -7.919  -8.596
   72    HA   PRO  11           HA       PRO  11 -12.110  -9.255  -4.140
   73   1HB   PRO  11          2HB       PRO  11 -11.550 -12.006  -3.138
   74   2HB   PRO  11          1HB       PRO  11 -13.098 -11.230  -3.490
   75   1HG   PRO  11          2HG       PRO  11 -12.080 -13.015  -5.166
   76   2HG   PRO  11          1HG       PRO  11 -12.895 -11.565  -5.780
   77   1HD   PRO  11          2HD       PRO  11  -9.980 -12.191  -5.645
   78   2HD   PRO  11          1HD       PRO  11 -10.887 -11.291  -6.879
   79    H    GLY  12           H        GLY  12  -9.010 -10.657  -3.294
   80   1HA   GLY  12          1HA       GLY  12  -9.272 -10.161  -0.471
   81   2HA   GLY  12          2HA       GLY  12  -7.823 -10.689  -1.309
   82    H    TRP  13           H        TRP  13  -8.506  -8.169  -3.110
   83    HA   TRP  13           HA       TRP  13  -6.733  -6.455  -1.550
   84   1HB   TRP  13          2HB       TRP  13  -7.542  -6.500  -4.445
   85   2HB   TRP  13          1HB       TRP  13  -6.685  -5.130  -3.744
   86    HD1  TRP  13           HD       TRP  13  -6.193  -8.787  -4.715
   87    HE1  TRP  13           1HE      TRP  13  -3.677  -9.307  -4.745
   88    HE3  TRP  13           3HE      TRP  13  -4.446  -4.431  -2.679
   89    HZ2  TRP  13           2HZ      TRP  13  -1.269  -8.045  -3.978
   90    HZ3  TRP  13           3HZ      TRP  13  -2.019  -4.174  -2.353
   91    HH2  TRP  13           HH       TRP  13  -0.466  -5.943  -2.990
   92    H    GLU  14           H        GLU  14  -7.461  -4.828  -0.422
   93    HA   GLU  14           HA       GLU  14 -10.079  -3.668  -1.130
   94   1HB   GLU  14          2HB       GLU  14  -9.480  -5.008   1.156
   95   2HB   GLU  14          1HB       GLU  14  -9.110  -3.362   1.640
   96   1HG   GLU  14          2HG       GLU  14 -11.305  -2.655   1.345
   97   2HG   GLU  14          1HG       GLU  14 -11.709  -4.044   0.334
   98    H    MET  15           H        MET  15  -9.609  -1.813  -2.171
   99    HA   MET  15           HA       MET  15  -7.381  -0.176  -1.332
  100   1HB   MET  15          2HB       MET  15  -8.087   1.361  -3.136
  101   2HB   MET  15          1HB       MET  15  -7.822  -0.281  -3.706
  102   1HG   MET  15          2HG       MET  15  -9.956  -0.551  -4.314
  103   2HG   MET  15          1HG       MET  15 -10.574   0.321  -2.912
  104   1HE   MET  15          1HE       MET  15 -10.250   0.419  -6.703
  105   2HE   MET  15          2HE       MET  15  -9.578   2.014  -7.042
  106   3HE   MET  15          3HE       MET  15  -8.590   0.794  -6.239
  107    H    ARG  16           H        ARG  16  -7.431   1.434   0.028
  108    HA   ARG  16           HA       ARG  16 -10.000   2.740   0.639
  109   1HB   ARG  16          2HB       ARG  16  -8.001   1.532   2.484
  110   2HB   ARG  16          1HB       ARG  16  -8.684   3.079   2.965
  111   1HG   ARG  16          2HG       ARG  16 -10.225   1.766   3.942
  112   2HG   ARG  16          1HG       ARG  16 -10.937   1.772   2.328
  113   1HD   ARG  16          2HD       ARG  16 -10.847  -0.488   3.179
  114   2HD   ARG  16          1HD       ARG  16  -9.744  -0.317   1.816
  115    HE   ARG  16           HE       ARG  16  -7.913  -0.393   3.327
  116   1HH1  ARG  16          2HH1      ARG  16 -11.010  -0.962   4.853
  117   2HH1  ARG  16          1HH1      ARG  16 -10.316  -1.725   6.260
  118   1HH2  ARG  16          2HH2      ARG  16  -7.001  -1.390   5.176
  119   2HH2  ARG  16          1HH2      ARG  16  -8.036  -1.974   6.438
  120    H    ILE  17           H        ILE  17  -9.769   5.013   1.204
  121    HA   ILE  17           HA       ILE  17  -7.293   6.120   0.067
  122    HB   ILE  17           HB       ILE  17  -9.600   7.900   0.656
  123   1HG1  ILE  17          2HG1      ILE  17 -10.551   5.816  -0.448
  124   2HG1  ILE  17          1HG1      ILE  17 -10.819   7.324  -1.314
  125   1HG2  ILE  17          1HG2      ILE  17  -8.792   9.103  -1.229
  126   2HG2  ILE  17          2HG2      ILE  17  -7.399   8.659  -0.241
  127   3HG2  ILE  17          3HG2      ILE  17  -7.756   7.759  -1.718
  128   1HD1  ILE  17          1HD1      ILE  17 -10.226   5.542  -2.837
  129   2HD1  ILE  17          2HD1      ILE  17  -8.969   6.777  -2.818
  130   3HD1  ILE  17          3HD1      ILE  17  -8.727   5.260  -1.953
  131    H    ALA  18           H        ALA  18  -5.823   6.619   1.493
  132    HA   ALA  18           HA       ALA  18  -6.441   7.112   4.251
  133   1HB   ALA  18          1HB       ALA  18  -4.147   7.051   4.628
  134   2HB   ALA  18          2HB       ALA  18  -4.357   5.968   3.251
  135   3HB   ALA  18          3HB       ALA  18  -3.766   7.611   2.999
  136    HA   PRO  19           HA       PRO  19  -6.791  11.540   4.339
  137   1HB   PRO  19          2HB       PRO  19  -4.870  11.524   6.598
  138   2HB   PRO  19          1HB       PRO  19  -6.525  12.138   6.532
  139   1HG   PRO  19          2HG       PRO  19  -5.950   9.884   7.835
  140   2HG   PRO  19          1HG       PRO  19  -7.455  10.050   6.910
  141   1HD   PRO  19          2HD       PRO  19  -4.929   8.614   6.187
  142   2HD   PRO  19          1HD       PRO  19  -6.617   8.131   5.915
  143    H    ASN  20           H        ASN  20  -3.857   9.937   3.874
  144    HA   ASN  20           HA       ASN  20  -2.108  12.155   3.535
  145   1HB   ASN  20          2HB       ASN  20  -1.929   9.446   2.187
  146   2HB   ASN  20          1HB       ASN  20  -0.621  10.596   2.412
  147   1HD2  ASN  20          1HD2      ASN  20   0.597   8.977   3.420
  148   2HD2  ASN  20          2HD2      ASN  20   0.279   8.494   5.060
  149    H    GLY  21           H        GLY  21  -4.628  10.768   1.692
  150   1HA   GLY  21          1HA       GLY  21  -5.647  11.863  -0.146
  151   2HA   GLY  21          2HA       GLY  21  -4.112  12.649  -0.499
  152    H    ARG  22           H        ARG  22  -3.438   9.563   0.263
  153    HA   ARG  22           HA       ARG  22  -3.290   8.803  -2.566
  154   1HB   ARG  22          2HB       ARG  22  -1.652   7.223  -0.755
  155   2HB   ARG  22          1HB       ARG  22  -1.195   8.062  -2.228
  156   1HG   ARG  22          2HG       ARG  22  -1.643   9.936  -0.090
  157   2HG   ARG  22          1HG       ARG  22  -0.486   8.698   0.391
  158   1HD   ARG  22          2HD       ARG  22   0.990  10.063  -0.626
  159   2HD   ARG  22          1HD       ARG  22   0.426   9.241  -2.078
  160    HE   ARG  22           HE       ARG  22  -1.089  11.592  -1.390
  161   1HH1  ARG  22          2HH1      ARG  22   1.713  10.362  -3.100
  162   2HH1  ARG  22          1HH1      ARG  22   1.764  11.691  -4.217
  163   1HH2  ARG  22          2HH2      ARG  22  -1.007  13.357  -2.850
  164   2HH2  ARG  22          1HH2      ARG  22   0.233  13.391  -4.072
  165    HA   PRO  23           HA       PRO  23  -6.187   5.442  -1.600
  166   1HB   PRO  23          2HB       PRO  23  -5.134   4.700  -4.291
  167   2HB   PRO  23          1HB       PRO  23  -6.804   4.743  -3.716
  168   1HG   PRO  23          2HG       PRO  23  -5.894   6.647  -5.328
  169   2HG   PRO  23          1HG       PRO  23  -6.966   7.051  -3.972
  170   1HD   PRO  23          2HD       PRO  23  -4.006   7.411  -4.220
  171   2HD   PRO  23          1HD       PRO  23  -5.217   8.467  -3.460
  172    H    PHE  24           H        PHE  24  -5.543   3.711  -0.459
  173    HA   PHE  24           HA       PHE  24  -3.017   2.446  -1.244
  174   1HB   PHE  24          2HB       PHE  24  -2.393   2.075   0.994
  175   2HB   PHE  24          1HB       PHE  24  -2.930   3.743   0.933
  176    HD1  PHE  24           1HD      PHE  24  -4.749   4.499   2.231
  177    HD2  PHE  24           2HD      PHE  24  -3.831   0.342   2.071
  178    HE1  PHE  24           1HE      PHE  24  -6.235   4.096   4.147
  179    HE2  PHE  24           2HE      PHE  24  -5.311  -0.065   3.983
  180    HZ   PHE  24           HZ       PHE  24  -6.520   1.812   5.027
  181    H    PHE  25           H        PHE  25  -2.966   0.314  -1.396
  182    HA   PHE  25           HA       PHE  25  -5.577  -1.017  -1.273
  183   1HB   PHE  25          2HB       PHE  25  -3.127  -1.788  -2.876
  184   2HB   PHE  25          1HB       PHE  25  -4.717  -2.537  -2.973
  185    HD1  PHE  25           1HD      PHE  25  -2.965   0.703  -3.493
  186    HD2  PHE  25           2HD      PHE  25  -6.269  -1.774  -4.518
  187    HE1  PHE  25           1HE      PHE  25  -3.611   2.293  -5.254
  188    HE2  PHE  25           2HE      PHE  25  -6.916  -0.188  -6.282
  189    HZ   PHE  25           HZ       PHE  25  -5.577   1.844  -6.654
  190    H    ILE  26           H        ILE  26  -5.848  -2.232   0.400
  191    HA   ILE  26           HA       ILE  26  -3.506  -3.450   1.631
  192    HB   ILE  26           HB       ILE  26  -5.167  -2.061   2.973
  193   1HG1  ILE  26          2HG1      ILE  26  -3.439  -3.852   3.726
  194   2HG1  ILE  26          1HG1      ILE  26  -4.573  -3.174   4.886
  195   1HG2  ILE  26          1HG2      ILE  26  -6.913  -4.309   2.230
  196   2HG2  ILE  26          2HG2      ILE  26  -7.000  -3.752   3.902
  197   3HG2  ILE  26          3HG2      ILE  26  -7.296  -2.623   2.578
  198   1HD1  ILE  26          1HD1      ILE  26  -5.973  -5.153   4.677
  199   2HD1  ILE  26          2HD1      ILE  26  -4.861  -5.823   3.485
  200   3HD1  ILE  26          3HD1      ILE  26  -4.330  -5.581   5.151
  201    H    ASP  27           H        ASP  27  -3.028  -5.435   1.152
  202    HA   ASP  27           HA       ASP  27  -4.991  -7.139  -0.146
  203   1HB   ASP  27          2HB       ASP  27  -2.774  -7.156  -1.121
  204   2HB   ASP  27          1HB       ASP  27  -2.049  -7.554   0.435
  205    H    HIS  28           H        HIS  28  -6.213  -8.498   0.957
  206    HA   HIS  28           HA       HIS  28  -5.655  -8.881   3.775
  207   1HB   HIS  28          2HB       HIS  28  -8.012  -9.550   2.024
  208   2HB   HIS  28          1HB       HIS  28  -7.895 -10.129   3.683
  209    HD1  HIS  28           1HD      HIS  28  -7.736  -8.188   5.563
  210    HD2  HIS  28           2HD      HIS  28  -8.975  -6.993   1.771
  211    HE1  HIS  28           1HE      HIS  28  -8.758  -5.918   5.865
  212    HE2  HIS  28           2HE      HIS  28  -9.732  -5.339   3.615
  213    H    ASN  29           H        ASN  29  -4.741 -10.423   0.999
  214    HA   ASN  29           HA       ASN  29  -4.843 -13.129   1.981
  215   1HB   ASN  29          2HB       ASN  29  -3.368 -11.882  -0.351
  216   2HB   ASN  29          1HB       ASN  29  -3.401 -13.602  -0.001
  217   1HD2  ASN  29          1HD2      ASN  29  -5.050 -10.933  -1.357
  218   2HD2  ASN  29          2HD2      ASN  29  -6.436 -11.808  -1.926
  219    H    THR  30           H        THR  30  -2.237 -10.821   1.248
  220    HA   THR  30           HA       THR  30  -0.383 -12.338   2.897
  221    HB   THR  30           HB       THR  30   1.307 -10.742   2.072
  222    HG1  THR  30           1HG      THR  30  -0.696  -9.619   0.389
  223   1HG2  THR  30          1HG2      THR  30  -0.502 -11.921  -0.043
  224   2HG2  THR  30          2HG2      THR  30   0.873 -12.709   0.733
  225   3HG2  THR  30          3HG2      THR  30   1.137 -11.334  -0.340
  226    H    LYS  31           H        LYS  31  -2.540  -9.806   3.298
  227    HA   LYS  31           HA       LYS  31  -2.962  -8.251   4.871
  228   1HB   LYS  31          2HB       LYS  31  -1.608 -10.395   6.288
  229   2HB   LYS  31          1HB       LYS  31  -1.332  -8.834   7.052
  230   1HG   LYS  31          2HG       LYS  31  -3.680  -8.454   7.289
  231   2HG   LYS  31          1HG       LYS  31  -4.057  -9.882   6.325
  232   1HD   LYS  31          2HD       LYS  31  -2.897 -11.253   8.072
  233   2HD   LYS  31          1HD       LYS  31  -2.791  -9.793   9.057
  234   1HE   LYS  31          2HE       LYS  31  -5.459 -10.480   7.975
  235   2HE   LYS  31          1HE       LYS  31  -4.820 -11.538   9.232
  236   1HZ   LYS  31          1HZ       LYS  31  -6.204  -9.539   9.950
  237   2HZ   LYS  31          2HZ       LYS  31  -4.843  -8.600   9.568
  238   3HZ   LYS  31          3HZ       LYS  31  -4.736  -9.802  10.759
  239    H    THR  32           H        THR  32  -1.440  -7.250   3.046
  240    HA   THR  32           HA       THR  32   0.551  -5.653   4.512
  241    HB   THR  32           HB       THR  32   0.985  -6.050   1.602
  242    HG1  THR  32           1HG      THR  32   0.815  -8.192   2.004
  243   1HG2  THR  32          1HG2      THR  32   3.295  -6.433   3.222
  244   2HG2  THR  32          2HG2      THR  32   2.403  -5.046   3.845
  245   3HG2  THR  32          3HG2      THR  32   2.910  -5.079   2.158
  246    H    THR  33           H        THR  33   0.800  -3.480   3.746
  247    HA   THR  33           HA       THR  33  -1.548  -2.509   2.254
  248    HB   THR  33           HB       THR  33  -0.507  -0.383   3.781
  249    HG1  THR  33           1HG      THR  33  -0.493  -2.863   5.145
  250   1HG2  THR  33          1HG2      THR  33  -2.699  -0.116   3.975
  251   2HG2  THR  33          2HG2      THR  33  -2.768  -1.491   5.080
  252   3HG2  THR  33          3HG2      THR  33  -2.964  -1.741   3.343
  253    H    THR  34           H        THR  34  -1.004  -1.750   0.312
  254    HA   THR  34           HA       THR  34   1.561  -0.323   0.040
  255    HB   THR  34           HB       THR  34   1.743  -2.436  -1.150
  256    HG1  THR  34           1HG      THR  34   1.579  -1.249  -3.450
  257   1HG2  THR  34          1HG2      THR  34  -0.097  -3.392  -1.970
  258   2HG2  THR  34          2HG2      THR  34  -0.031  -2.233  -3.297
  259   3HG2  THR  34          3HG2      THR  34  -1.000  -1.881  -1.866
  260    H    TRP  35           H        TRP  35   1.539   1.574  -1.184
  261    HA   TRP  35           HA       TRP  35  -1.093   2.707  -1.693
  262   1HB   TRP  35          2HB       TRP  35   1.516   4.083  -2.279
  263   2HB   TRP  35          1HB       TRP  35  -0.036   4.796  -1.876
  264    HD1  TRP  35           HD       TRP  35   3.009   3.167  -0.260
  265    HE1  TRP  35           1HE      TRP  35   3.022   3.738   2.245
  266    HE3  TRP  35           3HE      TRP  35  -1.581   5.386   0.065
  267    HZ2  TRP  35           2HZ      TRP  35   1.289   4.972   4.117
  268    HZ3  TRP  35           3HZ      TRP  35  -2.327   6.233   2.243
  269    HH2  TRP  35           HH       TRP  35  -0.924   6.029   4.220
  270    H    GLU  36           H        GLU  36   1.452   1.176  -3.285
  271    HA   GLU  36           HA       GLU  36   0.954   2.288  -5.895
  272   1HB   GLU  36          2HB       GLU  36   2.607  -0.162  -5.336
  273   2HB   GLU  36          1HB       GLU  36   2.793   1.025  -6.621
  274   1HG   GLU  36          2HG       GLU  36   3.284   1.569  -3.701
  275   2HG   GLU  36          1HG       GLU  36   4.536   1.187  -4.886
  276    H    ASP  37           H        ASP  37  -0.818   1.733  -6.905
  277    HA   ASP  37           HA       ASP  37  -2.551  -0.330  -6.419
  278   1HB   ASP  37          2HB       ASP  37  -3.241   1.498  -7.770
  279   2HB   ASP  37          1HB       ASP  37  -1.957   1.223  -8.935
  280    HA   PRO  38           HA       PRO  38  -0.221  -3.912  -7.697
  281   1HB   PRO  38          2HB       PRO  38  -2.297  -5.680  -7.441
  282   2HB   PRO  38          1HB       PRO  38  -1.298  -5.120  -6.097
  283   1HG   PRO  38          2HG       PRO  38  -3.999  -4.184  -6.971
  284   2HG   PRO  38          1HG       PRO  38  -3.383  -4.461  -5.330
  285   1HD   PRO  38          2HD       PRO  38  -3.570  -1.989  -6.382
  286   2HD   PRO  38          1HD       PRO  38  -2.256  -2.442  -5.276
  287    H    ARG  39           H        ARG  39  -3.012  -2.591  -9.273
  288    HA   ARG  39           HA       ARG  39  -3.001  -4.437 -11.468
  289   1HB   ARG  39          2HB       ARG  39  -4.050  -1.607 -11.477
  290   2HB   ARG  39          1HB       ARG  39  -4.505  -2.915 -12.558
  291   1HG   ARG  39          2HG       ARG  39  -4.939  -3.246  -9.634
  292   2HG   ARG  39          1HG       ARG  39  -6.035  -2.216 -10.556
  293   1HD   ARG  39          2HD       ARG  39  -7.004  -4.367 -10.530
  294   2HD   ARG  39          1HD       ARG  39  -6.336  -4.143 -12.144
  295    HE   ARG  39           HE       ARG  39  -4.427  -5.424 -10.530
  296   1HH1  ARG  39          2HH1      ARG  39  -7.551  -6.077 -11.980
  297   2HH1  ARG  39          1HH1      ARG  39  -7.241  -7.771 -12.193
  298   1HH2  ARG  39          2HH2      ARG  39  -4.022  -7.660 -10.780
  299   2HH2  ARG  39          1HH2      ARG  39  -5.244  -8.676 -11.504
  300    H    LEU  40           H        LEU  40  -0.964  -1.916 -10.495
  301    HA   LEU  40           HA       LEU  40   0.126  -1.469 -13.157
  302   1HB   LEU  40          2HB       LEU  40   1.152  -0.554 -10.466
  303   2HB   LEU  40          1HB       LEU  40   1.740  -0.019 -12.027
  304    HG   LEU  40           HG       LEU  40  -1.129   0.408 -11.267
  305   1HD1  LEU  40          1HD1      LEU  40   1.240   2.090 -10.481
  306   2HD1  LEU  40          2HD1      LEU  40  -0.422   2.678 -10.487
  307   3HD1  LEU  40          3HD1      LEU  40   0.041   1.351  -9.421
  308   1HD2  LEU  40          1HD2      LEU  40  -1.210   1.692 -13.105
  309   2HD2  LEU  40          2HD2      LEU  40   0.375   2.406 -12.798
  310   3HD2  LEU  40          3HD2      LEU  40   0.253   0.828 -13.579
  311    H    LYS  41           H        LYS  41   0.739  -3.280 -10.273
  312    HA   LYS  41           HA       LYS  41   2.508  -4.595  -9.579
  313   1HB   LYS  41          2HB       LYS  41   2.612  -6.594 -11.326
  314   2HB   LYS  41          1HB       LYS  41   1.243  -6.351 -10.256
  315   1HG   LYS  41          2HG       LYS  41  -0.128  -6.152 -11.975
  316   2HG   LYS  41          1HG       LYS  41   0.856  -4.860 -12.670
  317   1HD   LYS  41          2HD       LYS  41   2.278  -7.236 -13.103
  318   2HD   LYS  41          1HD       LYS  41   0.594  -7.601 -13.492
  319   1HE   LYS  41          2HE       LYS  41   1.791  -6.804 -15.456
  320   2HE   LYS  41          1HE       LYS  41   0.519  -5.678 -14.990
  321   1HZ   LYS  41          1HZ       LYS  41   3.248  -5.162 -15.323
  322   2HZ   LYS  41          2HZ       LYS  41   2.889  -4.934 -13.683
  323   3HZ   LYS  41          3HZ       LYS  41   2.023  -4.081 -14.871