*HEADER    LIGASE                                  11-OCT-04   1WR3              
*TITLE     SOLUTION STRUCTURE OF THE FIRST WW DOMAIN OF NEDD4-2                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUITIN-PROTEIN LIGASE NEDD4-2;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FIRST 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   18-OCT-05 1WR3    0                                                

 ASSI {    3}
    (( segid "    " and resid 4    and name HB2 ))
    (( segid "    " and resid 5    and name HN  ))
       2.800     1.000     1.000 peak     3 spectrum    1 weight   .10000E+01 volume   .19648E-02 ppm1      2.267 ppm2      8.374 CV     1
  ASSI {    4}
    (( segid "    " and resid 4    and name HB3 ))
    (( segid "    " and resid 5    and name HN  ))
       3.200     1.300     1.300 peak     4 spectrum    1 weight   .10000E+01 volume   .76730E-03 ppm1      1.964 ppm2      8.372 CV     1
  ASSI {    5}
    (( segid "    " and resid 5    and name HA  ))
    (( segid "    " and resid 5    and name HN  ))
       2.000      .500      .500 peak     5 spectrum    1 weight   .10000E+01 volume   .15554E-01 ppm1      4.387 ppm2      8.373 CV     1
  ASSI {    6}
    (( segid "    " and resid 5    and name HB2 ))
    (( segid "    " and resid 5    and name HN  ))
       2.300      .700      .700 peak     6 spectrum    1 weight   .10000E+01 volume   .62551E-02 ppm1      1.820 ppm2      8.373 CV     1
  ASSI {    7}
    (( segid "    " and resid 5    and name HB3 ))
    (( segid "    " and resid 5    and name HN  ))
       2.300      .700      .700 peak     7 spectrum    1 weight   .10000E+01 volume   .60055E-02 ppm1      1.692 ppm2      8.373 CV     1
  ASSI {    8}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 5    and name HN  ))
       2.800      .900      .900 peak     8 spectrum    1 weight   .10000E+01 volume   .20364E-02 ppm1      1.000 ppm2      8.373 CV     1
  ASSI {    9}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 9    and name HN  ))
       3.300     1.400     1.400 peak     9 spectrum    1 weight   .10000E+01 volume   .69290E-03 ppm1      1.001 ppm2      7.467 CV     1
  ASSI {   10}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 10   and name HN  ))
       3.100     1.200     1.200 peak    10 spectrum    1 weight   .10000E+01 volume   .90726E-03 ppm1      1.002 ppm2      9.283 CV     1
  ASSI {   11}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 11   and name HN  ))
       2.500      .800      .800 peak    11 spectrum    1 weight   .10000E+01 volume   .35866E-02 ppm1      1.000 ppm2      8.732 CV     1
  ASSI {   12}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 22   and name HN  ))
       3.600     1.700     1.700 peak    12 spectrum    1 weight   .10000E+01 volume   .37475E-03 ppm1      1.002 ppm2      9.000 CV     1
  ASSI {   13}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 5    and name HN  ))
       2.900     1.000     1.000 peak    13 spectrum    1 weight   .10000E+01 volume   .15609E-02 ppm1       .691 ppm2      8.374 CV     1
  ASSI {   14}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 11   and name HN  ))
       3.400     1.400     1.400 peak    14 spectrum    1 weight   .10000E+01 volume   .58920E-03 ppm1       .689 ppm2      8.733 CV     1
  ASSI {   15}
    (( segid "    " and resid 5    and name HG  ))
    (( segid "    " and resid 5    and name HN  ))
       2.600      .900      .900 peak    15 spectrum    1 weight   .10000E+01 volume   .25907E-02 ppm1      1.342 ppm2      8.373 CV     1
  ASSI {   16}
    (( segid "    " and resid 5    and name HG  ))
    (( segid "    " and resid 9    and name HN  ))
       3.200     1.300     1.300 peak    16 spectrum    1 weight   .10000E+01 volume   .77370E-03 ppm1      1.340 ppm2      7.465 CV     1
  ASSI {   17}
    (( segid "    " and resid 6    and name HB2 ))
    (( segid "    " and resid 9    and name HE1 ))
       3.400     1.500     1.500 peak    17 spectrum    1 weight   .10000E+01 volume   .56048E-03 ppm1      2.491 ppm2     10.473 CV     1
  ASSI {   18}
    (( segid "    " and resid 6    and name HB3 ))
    (( segid "    " and resid 9    and name HE1 ))
       3.100     1.200     1.200 peak    18 spectrum    1 weight   .10000E+01 volume   .10770E-02 ppm1      1.933 ppm2     10.478 CV     1
  ASSI {   19}
    (( segid "    " and resid 6    and name HB3 ))
    (( segid "    " and resid 9    and name HN  ))
       3.500     1.500     1.500 peak    19 spectrum    1 weight   .10000E+01 volume   .47047E-03 ppm1      1.925 ppm2      7.467 CV     1
  ASSI {   20}
    (( segid "    " and resid 6    and name HD3 ))
    (( segid "    " and resid 9    and name HE1 ))
       3.500     1.500     1.500 peak    20 spectrum    1 weight   .10000E+01 volume   .49944E-03 ppm1      2.789 ppm2     10.473 CV     1
  ASSI {   21}
    (( segid "    " and resid 6    and name HG2 ))
    (( segid "    " and resid 9    and name HE1 ))
       3.400     1.500     1.500 peak    21 spectrum    1 weight   .10000E+01 volume   .55734E-03 ppm1      1.626 ppm2     10.477 CV     1
  ASSI {   22}
    (( segid "    " and resid 6    and name HG3 ))
    (( segid "    " and resid 9    and name HE1 ))
       3.300     1.400     1.400 peak    22 spectrum    1 weight   .10000E+01 volume   .66645E-03 ppm1      1.457 ppm2     10.476 CV     1
  ASSI {   23}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 8    and name HN  ))
       2.400      .700      .700 peak    23 spectrum    1 weight   .10000E+01 volume   .44051E-02 ppm1      4.387 ppm2      8.772 CV     1
  ASSI {   24}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 9    and name HD1 ))
       3.400     1.400     1.400 peak    24 spectrum    1 weight   .10000E+01 volume   .58068E-03 ppm1      4.387 ppm2      6.959 CV     1
  ASSI {   25}
    (( segid "    " and resid 7    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       2.900     1.100     1.100 peak    25 spectrum    1 weight   .10000E+01 volume   .13622E-02 ppm1      4.387 ppm2      7.467 CV     1
  ASSI {   26}
    (( segid "    " and resid 8    and name HA1 ))
    (( segid "    " and resid 8    and name HN  ))
       2.900     1.000     1.000 peak    26 spectrum    1 weight   .10000E+01 volume   .15301E-02 ppm1      4.159 ppm2      8.770 CV     1
  ASSI {   27}
    (( segid "    " and resid 8    and name HA1 ))
    (( segid "    " and resid 9    and name HN  ))
       2.900     1.100     1.100 peak    27 spectrum    1 weight   .10000E+01 volume   .13700E-02 ppm1      4.154 ppm2      7.466 CV     1
  ASSI {   28}
    (( segid "    " and resid 8    and name HA1 ))
    (( segid "    " and resid 25   and name HD21))
       3.300     1.400     1.400 peak    28 spectrum    1 weight   .10000E+01 volume   .63907E-03 ppm1      4.156 ppm2      7.532 CV     1
  ASSI {   29}
    (( segid "    " and resid 8    and name HA1 ))
    (( segid "    " and resid 25   and name HD22))
       3.100     1.200     1.200 peak    29 spectrum    1 weight   .10000E+01 volume   .91056E-03 ppm1      4.155 ppm2      7.116 CV     1
  ASSI {   30}
    (( segid "    " and resid 8    and name HA2 ))
    (( segid "    " and resid 8    and name HN  ))
       2.500      .800      .800 peak    30 spectrum    1 weight   .10000E+01 volume   .33409E-02 ppm1      3.606 ppm2      8.772 CV     1
  ASSI {   31}
    (( segid "    " and resid 8    and name HA2 ))
    (( segid "    " and resid 9    and name HN  ))
       3.100     1.200     1.200 peak    31 spectrum    1 weight   .10000E+01 volume   .10301E-02 ppm1      3.605 ppm2      7.468 CV     1
  ASSI {   32}
    (( segid "    " and resid 8    and name HA2 ))
    (( segid "    " and resid 25   and name HD22))
       3.300     1.400     1.400 peak    32 spectrum    1 weight   .10000E+01 volume   .68565E-03 ppm1      3.606 ppm2      7.120 CV     1
  ASSI {   33}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 9    and name HN  ))
       2.800     1.000     1.000 peak    33 spectrum    1 weight   .10000E+01 volume   .17667E-02 ppm1      5.481 ppm2      7.467 CV     1
  ASSI {   34}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       2.400      .700      .700 peak    34 spectrum    1 weight   .10000E+01 volume   .45551E-02 ppm1      5.480 ppm2      9.284 CV     1
  ASSI {   35}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       3.200     1.200     1.200 peak    35 spectrum    1 weight   .10000E+01 volume   .88528E-03 ppm1      5.481 ppm2      8.665 CV     1
  ASSI {   36}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 9    and name HN  ))
       2.400      .700      .700 peak    36 spectrum    1 weight   .10000E+01 volume   .50012E-02 ppm1      3.162 ppm2      7.467 CV     1
  ASSI {   37}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 10   and name HN  ))
       3.400     1.500     1.500 peak    37 spectrum    1 weight   .10000E+01 volume   .55566E-03 ppm1      3.150 ppm2      9.283 CV     1
  ASSI {   38}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 9    and name HN  ))
       2.700      .900      .900 peak    38 spectrum    1 weight   .10000E+01 volume   .24117E-02 ppm1      2.928 ppm2      7.466 CV     1
  ASSI {   39}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 10   and name HN  ))
       3.000     1.100     1.100 peak    39 spectrum    1 weight   .10000E+01 volume   .12729E-02 ppm1      2.920 ppm2      9.282 CV     1
  ASSI {   40}
    (( segid "    " and resid 9    and name HD1 ))
    (( segid "    " and resid 9    and name HE1 ))
       2.500      .800      .800 peak    40 spectrum    1 weight   .10000E+01 volume   .40429E-02 ppm1      6.953 ppm2     10.477 CV     1
  ASSI {   41}
    (( segid "    " and resid 9    and name HD1 ))
    (( segid "    " and resid 9    and name HN  ))
       2.700      .900      .900 peak    41 spectrum    1 weight   .10000E+01 volume   .24601E-02 ppm1      6.957 ppm2      7.467 CV     1
  ASSI {   42}
    (( segid "    " and resid 9    and name HE3 ))
    (( segid "    " and resid 10   and name HN  ))
       3.300     1.400     1.400 peak    42 spectrum    1 weight   .10000E+01 volume   .66141E-03 ppm1      7.232 ppm2      9.284 CV     1
  ASSI {   43}
    (( segid "    " and resid 9    and name HE3 ))
    (( segid "    " and resid 22   and name HN  ))
       3.000     1.200     1.200 peak    43 spectrum    1 weight   .10000E+01 volume   .11102E-02 ppm1      7.230 ppm2      8.999 CV     1
  ASSI {   44}
    (( segid "    " and resid 9    and name HH2 ))
    (( segid "    " and resid 9    and name HE3 ))
       3.100     1.200     1.200 peak    44 spectrum    1 weight   .10000E+01 volume   .10838E-02 ppm1      6.990 ppm2      7.239 CV     1
  ASSI {   45}
    (( segid "    " and resid 9    and name HH2 ))
    (( segid "    " and resid 9    and name HZ2 ))
       2.100      .500      .500 peak    45 spectrum    1 weight   .10000E+01 volume   .11412E-01 ppm1      6.991 ppm2      7.436 CV     1
  ASSI {   46}
    (( segid "    " and resid 9    and name HN  ))
    (( segid "    " and resid 8    and name HN  ))
       3.000     1.100     1.100 peak    46 spectrum    1 weight   .10000E+01 volume   .12006E-02 ppm1      7.469 ppm2      8.772 CV     1
  ASSI {   47}
    (( segid "    " and resid 9    and name HZ2 ))
    (( segid "    " and resid 9    and name HE1 ))
       2.700      .900      .900 peak    47 spectrum    1 weight   .10000E+01 volume   .21607E-02 ppm1      7.425 ppm2     10.477 CV     1
  ASSI {   48}
    (( segid "    " and resid 9    and name HZ3 ))
    (( segid "    " and resid 9    and name HH2 ))
       2.200      .600      .600 peak    48 spectrum    1 weight   .10000E+01 volume   .70537E-02 ppm1      6.685 ppm2      6.983 CV     1
  ASSI {   49}
    (( segid "    " and resid 9    and name HZ3 ))
    (( segid "    " and resid 9    and name HZ2 ))
       3.000     1.100     1.100 peak    49 spectrum    1 weight   .10000E+01 volume   .12913E-02 ppm1      6.683 ppm2      7.436 CV     1
  ASSI {   50}
    (( segid "    " and resid 9    and name HZ3 ))
    (( segid "    " and resid 23   and name HN  ))
       3.500     1.500     1.500 peak    50 spectrum    1 weight   .10000E+01 volume   .51944E-03 ppm1      6.691 ppm2      8.294 CV     1
  ASSI {   51}
    (( segid "    " and resid 9    and name HZ3 ))
    (( segid "    " and resid 30   and name HN  ))
       3.000     1.100     1.100 peak    51 spectrum    1 weight   .10000E+01 volume   .13254E-02 ppm1      6.689 ppm2      9.079 CV     1
  ASSI {   52}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       2.800     1.000     1.000 peak    52 spectrum    1 weight   .10000E+01 volume   .18667E-02 ppm1      4.650 ppm2      9.283 CV     1
  ASSI {   53}
    (( segid "    " and resid 10   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       2.300      .600      .600 peak    53 spectrum    1 weight   .10000E+01 volume   .67007E-02 ppm1      4.648 ppm2      8.731 CV     1
  ASSI {   54}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 10   and name HN  ))
       2.500      .800      .800 peak    54 spectrum    1 weight   .10000E+01 volume   .38273E-02 ppm1      1.914 ppm2      9.283 CV     1
  OR {   54}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 10   and name HN  ))
  ASSI {   55}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 22   and name HN  ))
       3.300     1.300     1.300 peak    55 spectrum    1 weight   .10000E+01 volume   .71083E-03 ppm1      1.913 ppm2      8.998 CV     1
  OR {   55}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 22   and name HN  ))
  ASSI {   56}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 11   and name HN  ))
       3.000     1.100     1.100 peak    56 spectrum    1 weight   .10000E+01 volume   .12583E-02 ppm1      2.279 ppm2      8.732 CV     1
  ASSI {   57}
    (( segid "    " and resid 10   and name HG3 ))
    (( segid "    " and resid 11   and name HN  ))
       3.000     1.100     1.100 peak    57 spectrum    1 weight   .10000E+01 volume   .12143E-02 ppm1      2.170 ppm2      8.733 CV     1
  ASSI {   58}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 11   and name HN  ))
       2.700      .900      .900 peak    58 spectrum    1 weight   .10000E+01 volume   .23568E-02 ppm1      4.361 ppm2      8.731 CV     1
  ASSI {   59}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       2.300      .700      .700 peak    59 spectrum    1 weight   .10000E+01 volume   .61617E-02 ppm1      4.364 ppm2      8.542 CV     1
  ASSI {   60}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       3.400     1.500     1.500 peak    60 spectrum    1 weight   .10000E+01 volume   .53420E-03 ppm1      4.365 ppm2      8.999 CV     1
  ASSI {   61}
    (( segid "    " and resid 11   and name HB2 ))
    (( segid "    " and resid 11   and name HN  ))
       2.100      .600      .600 peak    61 spectrum    1 weight   .10000E+01 volume   .95228E-02 ppm1      1.937 ppm2      8.732 CV     1
  OR {   61}
    (( segid "    " and resid 11   and name HB3 ))
    (( segid "    " and resid 11   and name HN  ))
  ASSI {   62}
    (( segid "    " and resid 11   and name HB3 ))
    (( segid "    " and resid 12   and name HN  ))
       2.700      .900      .900 peak    62 spectrum    1 weight   .10000E+01 volume   .21755E-02 ppm1      1.935 ppm2      8.542 CV     1
  OR {   62}
    (( segid "    " and resid 11   and name HB2 ))
    (( segid "    " and resid 12   and name HN  ))
  ASSI {   63}
    (( segid "    " and resid 11   and name HG2 ))
    (( segid "    " and resid 11   and name HN  ))
       3.200     1.300     1.300 peak    63 spectrum    1 weight   .10000E+01 volume   .79286E-03 ppm1      1.850 ppm2      8.732 CV     1
  ASSI {   64}
    (( segid "    " and resid 11   and name HG2 ))
    (( segid "    " and resid 12   and name HN  ))
       2.900     1.100     1.100 peak    64 spectrum    1 weight   .10000E+01 volume   .13666E-02 ppm1      1.849 ppm2      8.541 CV     1
  ASSI {   65}
    (( segid "    " and resid 11   and name HG3 ))
    (( segid "    " and resid 11   and name HN  ))
       3.300     1.300     1.300 peak    65 spectrum    1 weight   .10000E+01 volume   .72405E-03 ppm1      1.756 ppm2      8.732 CV     1
  ASSI {   66}
    (( segid "    " and resid 11   and name HG3 ))
    (( segid "    " and resid 12   and name HN  ))
       2.900     1.000     1.000 peak    66 spectrum    1 weight   .10000E+01 volume   .16151E-02 ppm1      1.758 ppm2      8.543 CV     1
  ASSI {   67}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       2.600      .800      .800 peak    67 spectrum    1 weight   .10000E+01 volume   .30564E-02 ppm1      4.439 ppm2      8.543 CV     1
  ASSI {   68}
    (( segid "    " and resid 12   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       2.100      .600      .600 peak    68 spectrum    1 weight   .10000E+01 volume   .98756E-02 ppm1      4.438 ppm2      7.728 CV     1
  ASSI {   69}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 12   and name HN  ))
       2.900     1.000     1.000 peak    69 spectrum    1 weight   .10000E+01 volume   .15578E-02 ppm1      1.231 ppm2      8.543 CV     1
  ASSI {   70}
    (( segid "    " and resid 12   and name HB2 ))
    (( segid "    " and resid 13   and name HN  ))
       2.300      .700      .700 peak    70 spectrum    1 weight   .10000E+01 volume   .57280E-02 ppm1      1.235 ppm2      7.729 CV     1
  ASSI {   71}
    (( segid "    " and resid 12   and name HB3 ))
    (( segid "    " and resid 12   and name HN  ))
       2.600      .800      .800 peak    71 spectrum    1 weight   .10000E+01 volume   .30431E-02 ppm1      -.017 ppm2      8.543 CV     1
  ASSI {   72}
    (( segid "    " and resid 12   and name HB3 ))
    (( segid "    " and resid 13   and name HN  ))
       2.900     1.100     1.100 peak    72 spectrum    1 weight   .10000E+01 volume   .13823E-02 ppm1      -.024 ppm2      7.728 CV     1
  ASSI {   73}
    (( segid "    " and resid 12   and name HB3 ))
    (( segid "    " and resid 20   and name HN  ))
       3.400     1.400     1.400 peak    73 spectrum    1 weight   .10000E+01 volume   .59882E-03 ppm1      -.015 ppm2      8.855 CV     1
  ASSI {   74}
    (( segid "    " and resid 12   and name HG3 ))
    (( segid "    " and resid 12   and name HN  ))
       3.100     1.200     1.200 peak    74 spectrum    1 weight   .10000E+01 volume   .96376E-03 ppm1       .910 ppm2      8.544 CV     1
  ASSI {   75}
    (( segid "    " and resid 12   and name HN  ))
    (( segid "    " and resid 20   and name HN  ))
       2.700      .900      .900 peak    75 spectrum    1 weight   .10000E+01 volume   .24244E-02 ppm1      8.545 ppm2      8.856 CV     1
  ASSI {   76}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 13   and name HN  ))
       3.200     1.300     1.300 peak    76 spectrum    1 weight   .10000E+01 volume   .78671E-03 ppm1      4.972 ppm2      7.728 CV     1
  ASSI {   77}
    (( segid "    " and resid 13   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.300      .600      .600 peak    77 spectrum    1 weight   .10000E+01 volume   .63543E-02 ppm1      4.963 ppm2      9.121 CV     1
  ASSI {   78}
    (( segid "    " and resid 13   and name HB  ))
    (( segid "    " and resid 13   and name HN  ))
       2.700      .900      .900 peak    78 spectrum    1 weight   .10000E+01 volume   .20515E-02 ppm1      1.783 ppm2      7.728 CV     1
  ASSI {   79}
    (( segid "    " and resid 13   and name HB  ))
    (( segid "    " and resid 14   and name HN  ))
       3.300     1.300     1.300 peak    79 spectrum    1 weight   .10000E+01 volume   .73524E-03 ppm1      1.782 ppm2      9.122 CV     1
  ASSI {   80}
    (( segid "    " and resid 13   and name HB  ))
    (( segid "    " and resid 18   and name HN  ))
       3.000     1.100     1.100 peak    80 spectrum    1 weight   .10000E+01 volume   .12574E-02 ppm1      1.782 ppm2      8.834 CV     1
  ASSI {   81}
    (  segid "    " and resid 13   and name HG1%)
    (( segid "    " and resid 13   and name HN  ))
       2.900     1.100     1.100 peak    81 spectrum    1 weight   .10000E+01 volume   .13597E-02 ppm1       .906 ppm2      7.729 CV     1
  ASSI {   82}
    (  segid "    " and resid 13   and name HG1%)
    (( segid "    " and resid 14   and name HN  ))
       2.800      .900      .900 peak    82 spectrum    1 weight   .10000E+01 volume   .20174E-02 ppm1       .899 ppm2      9.122 CV     1
  ASSI {   83}
    (  segid "    " and resid 13   and name HG1%)
    (( segid "    " and resid 17   and name HN  ))
       2.700      .900      .900 peak    83 spectrum    1 weight   .10000E+01 volume   .22298E-02 ppm1       .906 ppm2      8.101 CV     1
  ASSI {   84}
    (  segid "    " and resid 13   and name HG1%)
    (( segid "    " and resid 18   and name HN  ))
       3.000     1.100     1.100 peak    84 spectrum    1 weight   .10000E+01 volume   .12206E-02 ppm1       .902 ppm2      8.832 CV     1
  ASSI {   85}
    (  segid "    " and resid 13   and name HG1%)
    (( segid "    " and resid 19   and name HN  ))
       3.300     1.400     1.400 peak    85 spectrum    1 weight   .10000E+01 volume   .63581E-03 ppm1       .906 ppm2      8.613 CV     1
  ASSI {   86}
    (  segid "    " and resid 13   and name HG2%)
    (( segid "    " and resid 13   and name HN  ))
       2.900     1.100     1.100 peak    86 spectrum    1 weight   .10000E+01 volume   .13501E-02 ppm1       .825 ppm2      7.728 CV     1
  ASSI {   87}
    (  segid "    " and resid 13   and name HG2%)
    (( segid "    " and resid 14   and name HN  ))
       3.100     1.200     1.200 peak    87 spectrum    1 weight   .10000E+01 volume   .10013E-02 ppm1       .819 ppm2      9.122 CV     1
  ASSI {   88}
    (  segid "    " and resid 13   and name HG2%)
    (( segid "    " and resid 17   and name HN  ))
       2.900     1.100     1.100 peak    88 spectrum    1 weight   .10000E+01 volume   .13679E-02 ppm1       .818 ppm2      8.101 CV     1
  ASSI {   89}
    (  segid "    " and resid 13   and name HG2%)
    (( segid "    " and resid 18   and name HN  ))
       3.000     1.100     1.100 peak    89 spectrum    1 weight   .10000E+01 volume   .11441E-02 ppm1       .820 ppm2      8.835 CV     1
  ASSI {   90}
    (  segid "    " and resid 13   and name HG2%)
    (( segid "    " and resid 19   and name HN  ))
       3.400     1.500     1.500 peak    90 spectrum    1 weight   .10000E+01 volume   .55720E-03 ppm1       .819 ppm2      8.615 CV     1
  ASSI {   91}
    (( segid "    " and resid 14   and name HB2 ))
    (( segid "    " and resid 14   and name HN  ))
       2.900     1.000     1.000 peak    91 spectrum    1 weight   .10000E+01 volume   .15478E-02 ppm1      3.424 ppm2      9.121 CV     1
  ASSI {   92}
    (( segid "    " and resid 14   and name HB3 ))
    (( segid "    " and resid 14   and name HN  ))
       2.900     1.100     1.100 peak    92 spectrum    1 weight   .10000E+01 volume   .14165E-02 ppm1      2.797 ppm2      9.121 CV     1
  ASSI {   93}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HD21))
       3.000     1.100     1.100 peak    93 spectrum    1 weight   .10000E+01 volume   .11813E-02 ppm1      2.928 ppm2      7.596 CV     1
  ASSI {   94}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 15   and name HD22))
       3.100     1.200     1.200 peak    94 spectrum    1 weight   .10000E+01 volume   .10814E-02 ppm1      2.928 ppm2      6.892 CV     1
  ASSI {   95}
    (( segid "    " and resid 15   and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       3.400     1.400     1.400 peak    95 spectrum    1 weight   .10000E+01 volume   .58626E-03 ppm1      2.929 ppm2      8.229 CV     1
  ASSI {   96}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 15   and name HD21))
       3.400     1.400     1.400 peak    96 spectrum    1 weight   .10000E+01 volume   .57007E-03 ppm1      2.854 ppm2      7.597 CV     1
  ASSI {   97}
    (( segid "    " and resid 15   and name HB3 ))
    (( segid "    " and resid 16   and name HN  ))
       3.500     1.500     1.500 peak    97 spectrum    1 weight   .10000E+01 volume   .50030E-03 ppm1      2.850 ppm2      8.228 CV     1
  ASSI {   98}
    (( segid "    " and resid 15   and name HD22))
    (( segid "    " and resid 15   and name HD21))
       1.900      .400      .400 peak    98 spectrum    1 weight   .10000E+01 volume   .21088E-01 ppm1      6.888 ppm2      7.598 CV     1
  ASSI {   99}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 16   and name HN  ))
       3.100     1.200     1.200 peak    99 spectrum    1 weight   .10000E+01 volume   .95630E-03 ppm1      4.521 ppm2      8.230 CV     1
  ASSI {  100}
    (( segid "    " and resid 16   and name HA  ))
    (( segid "    " and resid 17   and name HN  ))
       2.800     1.000     1.000 peak   100 spectrum    1 weight   .10000E+01 volume   .17029E-02 ppm1      4.518 ppm2      8.100 CV     1
  ASSI {  101}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 16   and name HN  ))
       2.700      .900      .900 peak   101 spectrum    1 weight   .10000E+01 volume   .22869E-02 ppm1      1.780 ppm2      8.230 CV     1
  ASSI {  102}
    (( segid "    " and resid 16   and name HB2 ))
    (( segid "    " and resid 17   and name HN  ))
       2.900     1.100     1.100 peak   102 spectrum    1 weight   .10000E+01 volume   .14131E-02 ppm1      1.781 ppm2      8.100 CV     1
  ASSI {  103}
    (( segid "    " and resid 16   and name HB3 ))
    (( segid "    " and resid 16   and name HN  ))
       3.100     1.200     1.200 peak   103 spectrum    1 weight   .10000E+01 volume   .91805E-03 ppm1      1.725 ppm2      8.231 CV     1
  ASSI {  104}
    (  segid "    " and resid 16   and name HD2%)
    (( segid "    " and resid 15   and name HD21))
       3.200     1.300     1.300 peak   104 spectrum    1 weight   .10000E+01 volume   .76456E-03 ppm1       .818 ppm2      7.598 CV     1
  OR {  104}
    (  segid "    " and resid 16   and name HD1%)
    (( segid "    " and resid 15   and name HD21))
  ASSI {  105}
    (  segid "    " and resid 16   and name HD2%)
    (( segid "    " and resid 15   and name HD22))
       3.400     1.400     1.400 peak   105 spectrum    1 weight   .10000E+01 volume   .61902E-03 ppm1       .819 ppm2      6.890 CV     1
  OR {  105}
    (  segid "    " and resid 16   and name HD1%)
    (( segid "    " and resid 15   and name HD22))
  ASSI {  106}
    (  segid "    " and resid 16   and name HD1%)
    (( segid "    " and resid 16   and name HN  ))
       3.100     1.200     1.200 peak   106 spectrum    1 weight   .10000E+01 volume   .91332E-03 ppm1       .818 ppm2      8.228 CV     1
  OR {  106}
    (  segid "    " and resid 16   and name HD2%)
    (( segid "    " and resid 16   and name HN  ))
  ASSI {  107}
    (( segid "    " and resid 16   and name HG  ))
    (( segid "    " and resid 16   and name HN  ))
       3.100     1.200     1.200 peak   107 spectrum    1 weight   .10000E+01 volume   .92743E-03 ppm1      1.563 ppm2      8.230 CV     1
  ASSI {  108}
    (( segid "    " and resid 16   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       3.000     1.100     1.100 peak   108 spectrum    1 weight   .10000E+01 volume   .11711E-02 ppm1      8.230 ppm2      8.834 CV     1
  ASSI {  109}
    (( segid "    " and resid 17   and name HA1 ))
    (( segid "    " and resid 17   and name HN  ))
       2.500      .800      .800 peak   109 spectrum    1 weight   .10000E+01 volume   .40340E-02 ppm1      4.204 ppm2      8.099 CV     1
  ASSI {  110}
    (( segid "    " and resid 17   and name HA1 ))
    (( segid "    " and resid 18   and name HN  ))
       3.200     1.200     1.200 peak   110 spectrum    1 weight   .10000E+01 volume   .89500E-03 ppm1      4.204 ppm2      8.833 CV     1
  ASSI {  111}
    (( segid "    " and resid 17   and name HA2 ))
    (( segid "    " and resid 17   and name HN  ))
       2.200      .600      .600 peak   111 spectrum    1 weight   .10000E+01 volume   .76819E-02 ppm1      3.555 ppm2      8.099 CV     1
  ASSI {  112}
    (( segid "    " and resid 17   and name HA2 ))
    (( segid "    " and resid 18   and name HN  ))
       2.900     1.100     1.100 peak   112 spectrum    1 weight   .10000E+01 volume   .14625E-02 ppm1      3.558 ppm2      8.833 CV     1
  ASSI {  113}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       3.300     1.300     1.300 peak   113 spectrum    1 weight   .10000E+01 volume   .73755E-03 ppm1      8.102 ppm2      9.115 CV     1
  ASSI {  114}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 16   and name HN  ))
       2.300      .600      .600 peak   114 spectrum    1 weight   .10000E+01 volume   .64955E-02 ppm1      8.100 ppm2      8.230 CV     1
  ASSI {  115}
    (( segid "    " and resid 17   and name HN  ))
    (( segid "    " and resid 18   and name HN  ))
       2.400      .700      .700 peak   115 spectrum    1 weight   .10000E+01 volume   .50414E-02 ppm1      8.100 ppm2      8.833 CV     1
  ASSI {  116}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 18   and name HN  ))
       2.900     1.100     1.100 peak   116 spectrum    1 weight   .10000E+01 volume   .13447E-02 ppm1      4.542 ppm2      8.835 CV     1
  ASSI {  117}
    (( segid "    " and resid 18   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       2.200      .600      .600 peak   117 spectrum    1 weight   .10000E+01 volume   .71829E-02 ppm1      4.545 ppm2      8.613 CV     1
  ASSI {  118}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HE  ))
       3.100     1.200     1.200 peak   118 spectrum    1 weight   .10000E+01 volume   .98006E-03 ppm1      1.929 ppm2      8.397 CV     1
  ASSI {  119}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 18   and name HN  ))
       2.800     1.000     1.000 peak   119 spectrum    1 weight   .10000E+01 volume   .20113E-02 ppm1      1.928 ppm2      8.834 CV     1
  ASSI {  120}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 19   and name HN  ))
       2.700      .900      .900 peak   120 spectrum    1 weight   .10000E+01 volume   .23173E-02 ppm1      1.927 ppm2      8.614 CV     1
  ASSI {  121}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 18   and name HE  ))
       3.000     1.100     1.100 peak   121 spectrum    1 weight   .10000E+01 volume   .12526E-02 ppm1      1.627 ppm2      8.397 CV     1
  ASSI {  122}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 18   and name HN  ))
       2.400      .700      .700 peak   122 spectrum    1 weight   .10000E+01 volume   .49309E-02 ppm1      1.627 ppm2      8.833 CV     1
  ASSI {  123}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 19   and name HN  ))
       2.900     1.000     1.000 peak   123 spectrum    1 weight   .10000E+01 volume   .15830E-02 ppm1      1.626 ppm2      8.613 CV     1
  ASSI {  124}
    (( segid "    " and resid 18   and name HD2 ))
    (( segid "    " and resid 18   and name HE  ))
       3.300     1.300     1.300 peak   124 spectrum    1 weight   .10000E+01 volume   .73938E-03 ppm1      3.121 ppm2      8.397 CV     1
  ASSI {  125}
    (( segid "    " and resid 18   and name HD2 ))
    (( segid "    " and resid 18   and name HN  ))
       3.300     1.300     1.300 peak   125 spectrum    1 weight   .10000E+01 volume   .74452E-03 ppm1      3.114 ppm2      8.831 CV     1
  ASSI {  126}
    (( segid "    " and resid 18   and name HD3 ))
    (( segid "    " and resid 18   and name HE  ))
       3.300     1.400     1.400 peak   126 spectrum    1 weight   .10000E+01 volume   .67493E-03 ppm1      2.843 ppm2      8.396 CV     1
  ASSI {  127}
    (( segid "    " and resid 18   and name HD3 ))
    (( segid "    " and resid 18   and name HN  ))
       3.400     1.400     1.400 peak   127 spectrum    1 weight   .10000E+01 volume   .60187E-03 ppm1      2.842 ppm2      8.829 CV     1
  ASSI {  128}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 18   and name HE  ))
       2.800     1.000     1.000 peak   128 spectrum    1 weight   .10000E+01 volume   .17381E-02 ppm1      2.278 ppm2      8.394 CV     1
  OR {  128}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 18   and name HE  ))
  ASSI {  129}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 18   and name HN  ))
       2.600      .800      .800 peak   129 spectrum    1 weight   .10000E+01 volume   .31694E-02 ppm1      2.280 ppm2      8.834 CV     1
  OR {  129}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 18   and name HN  ))
  ASSI {  130}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 19   and name HN  ))
       3.100     1.200     1.200 peak   130 spectrum    1 weight   .10000E+01 volume   .10543E-02 ppm1      2.278 ppm2      8.613 CV     1
  OR {  130}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 19   and name HN  ))
  ASSI {  131}
    (( segid "    " and resid 18   and name HN  ))
    (( segid "    " and resid 14   and name HN  ))
       3.000     1.100     1.100 peak   131 spectrum    1 weight   .10000E+01 volume   .13253E-02 ppm1      8.832 ppm2      9.121 CV     1
  ASSI {  132}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 19   and name HN  ))
       2.600      .800      .800 peak   132 spectrum    1 weight   .10000E+01 volume   .29950E-02 ppm1      4.935 ppm2      8.614 CV     1
  ASSI {  133}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       2.000      .500      .500 peak   133 spectrum    1 weight   .10000E+01 volume   .13623E-01 ppm1      4.934 ppm2      8.855 CV     1
  ASSI {  134}
    (( segid "    " and resid 19   and name HB  ))
    (( segid "    " and resid 19   and name HN  ))
       2.300      .700      .700 peak   134 spectrum    1 weight   .10000E+01 volume   .53424E-02 ppm1      3.956 ppm2      8.612 CV     1
  ASSI {  135}
    (( segid "    " and resid 19   and name HB  ))
    (( segid "    " and resid 20   and name HN  ))
       3.400     1.400     1.400 peak   135 spectrum    1 weight   .10000E+01 volume   .58395E-03 ppm1      3.957 ppm2      8.856 CV     1
  ASSI {  136}
    (  segid "    " and resid 19   and name HG2%)
    (( segid "    " and resid 12   and name HN  ))
       2.700      .900      .900 peak   136 spectrum    1 weight   .10000E+01 volume   .24751E-02 ppm1       .992 ppm2      8.543 CV     1
  ASSI {  137}
    (  segid "    " and resid 19   and name HG2%)
    (( segid "    " and resid 13   and name HN  ))
       3.100     1.200     1.200 peak   137 spectrum    1 weight   .10000E+01 volume   .10924E-02 ppm1       .991 ppm2      7.729 CV     1
  ASSI {  138}
    (  segid "    " and resid 19   and name HG2%)
    (( segid "    " and resid 19   and name HN  ))
       2.700      .900      .900 peak   138 spectrum    1 weight   .10000E+01 volume   .22065E-02 ppm1       .993 ppm2      8.613 CV     1
  ASSI {  139}
    (  segid "    " and resid 19   and name HG2%)
    (( segid "    " and resid 20   and name HN  ))
       2.500      .800      .800 peak   139 spectrum    1 weight   .10000E+01 volume   .33123E-02 ppm1       .990 ppm2      8.855 CV     1
  ASSI {  140}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 20   and name HN  ))
       2.800     1.000     1.000 peak   140 spectrum    1 weight   .10000E+01 volume   .18326E-02 ppm1      4.594 ppm2      8.855 CV     1
  ASSI {  141}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       2.600      .900      .900 peak   141 spectrum    1 weight   .10000E+01 volume   .26993E-02 ppm1      4.597 ppm2      8.587 CV     1
  ASSI {  142}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 20   and name HN  ))
       3.100     1.200     1.200 peak   142 spectrum    1 weight   .10000E+01 volume   .10437E-02 ppm1      2.486 ppm2      8.856 CV     1
  ASSI {  143}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
       2.800     1.000     1.000 peak   143 spectrum    1 weight   .10000E+01 volume   .19655E-02 ppm1      2.488 ppm2      8.588 CV     1
  ASSI {  144}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 20   and name HN  ))
       3.200     1.300     1.300 peak   144 spectrum    1 weight   .10000E+01 volume   .81400E-03 ppm1      2.170 ppm2      8.854 CV     1
  ASSI {  145}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 21   and name HN  ))
       2.400      .700      .700 peak   145 spectrum    1 weight   .10000E+01 volume   .44130E-02 ppm1      2.173 ppm2      8.586 CV     1
  ASSI {  146}
    (  segid "    " and resid 20   and name HD% )
    (( segid "    " and resid 12   and name HN  ))
       3.000     1.100     1.100 peak   146 spectrum    1 weight   .10000E+01 volume   .13388E-02 ppm1      6.707 ppm2      8.539 CV     1
  ASSI {  147}
    (  segid "    " and resid 20   and name HD% )
    (( segid "    " and resid 13   and name HN  ))
       3.000     1.100     1.100 peak   147 spectrum    1 weight   .10000E+01 volume   .12440E-02 ppm1      6.705 ppm2      7.728 CV     1
  ASSI {  148}
    (  segid "    " and resid 20   and name HD% )
    (( segid "    " and resid 14   and name HN  ))
       2.700      .900      .900 peak   148 spectrum    1 weight   .10000E+01 volume   .22909E-02 ppm1      6.704 ppm2      9.119 CV     1
  ASSI {  149}
    (  segid "    " and resid 20   and name HD% )
    (( segid "    " and resid 20   and name HN  ))
       2.400      .700      .700 peak   149 spectrum    1 weight   .10000E+01 volume   .46031E-02 ppm1      6.705 ppm2      8.855 CV     1
  ASSI {  150}
    (  segid "    " and resid 20   and name HD% )
    (( segid "    " and resid 30   and name HN  ))
       2.800     1.000     1.000 peak   150 spectrum    1 weight   .10000E+01 volume   .19500E-02 ppm1      6.705 ppm2      9.078 CV     1
  ASSI {  151}
    (  segid "    " and resid 20   and name HD% )
    (( segid "    " and resid 31   and name HE3 ))
       3.200     1.300     1.300 peak   151 spectrum    1 weight   .10000E+01 volume   .79168E-03 ppm1      6.703 ppm2      8.021 CV     1
  ASSI {  152}
    (  segid "    " and resid 20   and name HE% )
    (( segid "    " and resid 13   and name HN  ))
       3.600     1.600     1.600 peak   152 spectrum    1 weight   .10000E+01 volume   .38741E-03 ppm1      6.265 ppm2      7.728 CV     1
  ASSI {  153}
    (  segid "    " and resid 20   and name HE% )
    (( segid "    " and resid 14   and name HN  ))
       3.100     1.200     1.200 peak   153 spectrum    1 weight   .10000E+01 volume   .93432E-03 ppm1      6.263 ppm2      9.119 CV     1
  ASSI {  154}
    (  segid "    " and resid 20   and name HE% )
    (  segid "    " and resid 20   and name HD% )
       2.000      .500      .500 peak   154 spectrum    1 weight   .10000E+01 volume   .12252E-01 ppm1      6.263 ppm2      6.699 CV     1
  ASSI {  155}
    (  segid "    " and resid 20   and name HE% )
    (( segid "    " and resid 20   and name HN  ))
       3.500     1.500     1.500 peak   155 spectrum    1 weight   .10000E+01 volume   .50598E-03 ppm1      6.266 ppm2      8.853 CV     1
  ASSI {  156}
    (  segid "    " and resid 20   and name HE% )
    (( segid "    " and resid 21   and name HN  ))
       3.400     1.500     1.500 peak   156 spectrum    1 weight   .10000E+01 volume   .56267E-03 ppm1      6.270 ppm2      8.580 CV     1
  ASSI {  157}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 12   and name HN  ))
       3.500     1.500     1.500 peak   157 spectrum    1 weight   .10000E+01 volume   .52092E-03 ppm1      5.246 ppm2      8.542 CV     1
  ASSI {  158}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 21   and name HN  ))
       3.200     1.300     1.300 peak   158 spectrum    1 weight   .10000E+01 volume   .83065E-03 ppm1      5.247 ppm2      8.587 CV     1
  ASSI {  159}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       2.400      .700      .700 peak   159 spectrum    1 weight   .10000E+01 volume   .43001E-02 ppm1      5.247 ppm2      8.998 CV     1
  ASSI {  160}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 21   and name HN  ))
       3.000     1.100     1.100 peak   160 spectrum    1 weight   .10000E+01 volume   .11354E-02 ppm1      2.928 ppm2      8.588 CV     1
  ASSI {  161}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 22   and name HN  ))
       2.900     1.100     1.100 peak   161 spectrum    1 weight   .10000E+01 volume   .14893E-02 ppm1      2.916 ppm2      8.999 CV     1
  ASSI {  162}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       3.600     1.600     1.600 peak   162 spectrum    1 weight   .10000E+01 volume   .43306E-03 ppm1      2.922 ppm2      9.078 CV     1
  ASSI {  163}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 21   and name HN  ))
       2.700      .900      .900 peak   163 spectrum    1 weight   .10000E+01 volume   .22486E-02 ppm1      2.599 ppm2      8.588 CV     1
  ASSI {  164}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 22   and name HN  ))
       3.500     1.600     1.600 peak   164 spectrum    1 weight   .10000E+01 volume   .44464E-03 ppm1      2.600 ppm2      8.999 CV     1
  ASSI {  165}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
       3.200     1.300     1.300 peak   165 spectrum    1 weight   .10000E+01 volume   .85500E-03 ppm1      2.600 ppm2      9.078 CV     1
  ASSI {  166}
    (  segid "    " and resid 21   and name HD% )
    (  segid "    " and resid 21   and name HE% )
       1.700      .400      .500 peak   166 spectrum    1 weight   .10000E+01 volume   .31186E-01 ppm1      6.695 ppm2      7.346 CV     1
  ASSI {  167}
    (  segid "    " and resid 21   and name HD% )
    (( segid "    " and resid 22   and name HN  ))
       3.300     1.400     1.400 peak   167 spectrum    1 weight   .10000E+01 volume   .68734E-03 ppm1      6.706 ppm2      8.997 CV     1
  ASSI {  168}
    (  segid "    " and resid 21   and name HD% )
    (( segid "    " and resid 33   and name HN  ))
       3.000     1.100     1.100 peak   168 spectrum    1 weight   .10000E+01 volume   .11876E-02 ppm1      6.707 ppm2      8.507 CV     1
  ASSI {  169}
    (( segid "    " and resid 21   and name HN  ))
    (( segid "    " and resid 30   and name HN  ))
       2.800     1.000     1.000 peak   169 spectrum    1 weight   .10000E+01 volume   .17290E-02 ppm1      8.591 ppm2      9.078 CV     1
  ASSI {  170}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       3.200     1.200     1.200 peak   170 spectrum    1 weight   .10000E+01 volume   .89876E-03 ppm1      4.826 ppm2      8.993 CV     1
  ASSI {  171}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       2.600      .800      .800 peak   171 spectrum    1 weight   .10000E+01 volume   .31802E-02 ppm1      4.829 ppm2      8.294 CV     1
  ASSI {  172}
    (( segid "    " and resid 22   and name HB  ))
    (( segid "    " and resid 10   and name HN  ))
       3.300     1.400     1.400 peak   172 spectrum    1 weight   .10000E+01 volume   .64608E-03 ppm1      1.709 ppm2      9.279 CV     1
  ASSI {  173}
    (( segid "    " and resid 22   and name HB  ))
    (( segid "    " and resid 22   and name HN  ))
       2.900     1.000     1.000 peak   173 spectrum    1 weight   .10000E+01 volume   .15161E-02 ppm1      1.707 ppm2      8.997 CV     1
  ASSI {  174}
    (( segid "    " and resid 22   and name HB  ))
    (( segid "    " and resid 23   and name HN  ))
       3.100     1.200     1.200 peak   174 spectrum    1 weight   .10000E+01 volume   .95492E-03 ppm1      1.706 ppm2      8.292 CV     1
  ASSI {  175}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 10   and name HN  ))
       3.400     1.400     1.400 peak   175 spectrum    1 weight   .10000E+01 volume   .58499E-03 ppm1       .688 ppm2      9.281 CV     1
  ASSI {  176}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 22   and name HN  ))
       3.000     1.100     1.100 peak   176 spectrum    1 weight   .10000E+01 volume   .12947E-02 ppm1       .687 ppm2      8.997 CV     1
  ASSI {  177}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 23   and name HN  ))
       2.600      .900      .900 peak   177 spectrum    1 weight   .10000E+01 volume   .26868E-02 ppm1       .688 ppm2      8.294 CV     1
  ASSI {  178}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 24   and name HD2 ))
       3.400     1.500     1.500 peak   178 spectrum    1 weight   .10000E+01 volume   .55181E-03 ppm1       .688 ppm2      6.944 CV     1
  ASSI {  179}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 10   and name HN  ))
       3.200     1.300     1.300 peak   179 spectrum    1 weight   .10000E+01 volume   .81494E-03 ppm1       .538 ppm2      9.280 CV     1
  ASSI {  180}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 22   and name HN  ))
       2.900     1.100     1.100 peak   180 spectrum    1 weight   .10000E+01 volume   .13871E-02 ppm1       .538 ppm2      8.997 CV     1
  ASSI {  181}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 23   and name HN  ))
       2.700      .900      .900 peak   181 spectrum    1 weight   .10000E+01 volume   .20724E-02 ppm1       .538 ppm2      8.292 CV     1
  ASSI {  182}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 24   and name HD2 ))
       3.000     1.100     1.100 peak   182 spectrum    1 weight   .10000E+01 volume   .12911E-02 ppm1       .545 ppm2      6.945 CV     1
  ASSI {  183}
    (( segid "    " and resid 22   and name HN  ))
    (( segid "    " and resid 10   and name HN  ))
       2.800     1.000     1.000 peak   183 spectrum    1 weight   .10000E+01 volume   .17515E-02 ppm1      8.999 ppm2      9.283 CV     1
  ASSI {  184}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 10   and name HN  ))
       3.300     1.300     1.300 peak   184 spectrum    1 weight   .10000E+01 volume   .71946E-03 ppm1      3.975 ppm2      9.283 CV     1
  ASSI {  185}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       2.900     1.000     1.000 peak   185 spectrum    1 weight   .10000E+01 volume   .16191E-02 ppm1      3.973 ppm2      8.296 CV     1
  ASSI {  186}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       2.400      .700      .700 peak   186 spectrum    1 weight   .10000E+01 volume   .48822E-02 ppm1      3.977 ppm2      8.665 CV     1
  ASSI {  187}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HD21))
       2.900     1.100     1.100 peak   187 spectrum    1 weight   .10000E+01 volume   .13590E-02 ppm1      2.340 ppm2      6.797 CV     1
  ASSI {  188}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HD22))
       3.500     1.500     1.500 peak   188 spectrum    1 weight   .10000E+01 volume   .47882E-03 ppm1      2.355 ppm2      5.409 CV     1
  ASSI {  189}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
       2.600      .800      .800 peak   189 spectrum    1 weight   .10000E+01 volume   .30875E-02 ppm1      2.333 ppm2      8.294 CV     1
  ASSI {  190}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
       2.700      .900      .900 peak   190 spectrum    1 weight   .10000E+01 volume   .21204E-02 ppm1      2.341 ppm2      7.914 CV     1
  ASSI {  191}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HD21))
       2.700      .900      .900 peak   191 spectrum    1 weight   .10000E+01 volume   .20938E-02 ppm1      -.196 ppm2      6.797 CV     1
  ASSI {  192}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HD22))
       3.500     1.600     1.600 peak   192 spectrum    1 weight   .10000E+01 volume   .45107E-03 ppm1      -.197 ppm2      5.419 CV     1
  ASSI {  193}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HN  ))
       2.800     1.000     1.000 peak   193 spectrum    1 weight   .10000E+01 volume   .19963E-02 ppm1      -.199 ppm2      8.293 CV     1
  ASSI {  194}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
       3.100     1.200     1.200 peak   194 spectrum    1 weight   .10000E+01 volume   .10165E-02 ppm1      -.197 ppm2      7.910 CV     1
  ASSI {  195}
    (( segid "    " and resid 23   and name HD21))
    (( segid "    " and resid 9    and name HE1 ))
       3.200     1.300     1.300 peak   195 spectrum    1 weight   .10000E+01 volume   .84562E-03 ppm1      6.785 ppm2     10.478 CV     1
  ASSI {  196}
    (( segid "    " and resid 23   and name HD21))
    (( segid "    " and resid 9    and name HZ2 ))
       3.100     1.200     1.200 peak   196 spectrum    1 weight   .10000E+01 volume   .10575E-02 ppm1      6.787 ppm2      7.432 CV     1
  ASSI {  197}
    (( segid "    " and resid 23   and name HD22))
    (( segid "    " and resid 9    and name HE1 ))
       3.000     1.100     1.100 peak   197 spectrum    1 weight   .10000E+01 volume   .11381E-02 ppm1      5.417 ppm2     10.476 CV     1
  ASSI {  198}
    (( segid "    " and resid 23   and name HD22))
    (( segid "    " and resid 9    and name HZ2 ))
       3.000     1.100     1.100 peak   198 spectrum    1 weight   .10000E+01 volume   .11405E-02 ppm1      5.414 ppm2      7.431 CV     1
  ASSI {  199}
    (( segid "    " and resid 23   and name HD22))
    (( segid "    " and resid 23   and name HD21))
       1.800      .400      .400 peak   199 spectrum    1 weight   .10000E+01 volume   .25482E-01 ppm1      5.417 ppm2      6.797 CV     1
  ASSI {  200}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 24   and name HN  ))
       3.000     1.100     1.100 peak   200 spectrum    1 weight   .10000E+01 volume   .12016E-02 ppm1      4.283 ppm2      8.667 CV     1
  ASSI {  201}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       3.100     1.200     1.200 peak   201 spectrum    1 weight   .10000E+01 volume   .10475E-02 ppm1      4.280 ppm2      7.877 CV     1
  ASSI {  202}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 24   and name HD2 ))
       2.400      .700      .700 peak   202 spectrum    1 weight   .10000E+01 volume   .44906E-02 ppm1      3.085 ppm2      6.944 CV     1
  OR {  202}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 24   and name HD2 ))
  ASSI {  203}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 24   and name HN  ))
       2.500      .800      .800 peak   203 spectrum    1 weight   .10000E+01 volume   .33083E-02 ppm1      3.084 ppm2      8.666 CV     1
  OR {  203}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 24   and name HN  ))
  ASSI {  204}
    (( segid "    " and resid 24   and name HB3 ))
    (( segid "    " and resid 25   and name HN  ))
       3.000     1.100     1.100 peak   204 spectrum    1 weight   .10000E+01 volume   .11570E-02 ppm1      3.085 ppm2      8.326 CV     1
  OR {  204}
    (( segid "    " and resid 24   and name HB2 ))
    (( segid "    " and resid 25   and name HN  ))
  ASSI {  205}
    (( segid "    " and resid 24   and name HD2 ))
    (( segid "    " and resid 24   and name HN  ))
       3.300     1.300     1.300 peak   205 spectrum    1 weight   .10000E+01 volume   .73981E-03 ppm1      6.943 ppm2      8.664 CV     1
  ASSI {  206}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 25   and name HN  ))
       2.700      .900      .900 peak   206 spectrum    1 weight   .10000E+01 volume   .22197E-02 ppm1      4.440 ppm2      8.327 CV     1
  ASSI {  207}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       3.200     1.300     1.300 peak   207 spectrum    1 weight   .10000E+01 volume   .77544E-03 ppm1      4.441 ppm2      7.089 CV     1
  ASSI {  208}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 25   and name HD21))
       2.600      .900      .900 peak   208 spectrum    1 weight   .10000E+01 volume   .26959E-02 ppm1      2.775 ppm2      7.537 CV     1
  ASSI {  209}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 25   and name HD22))
       2.700      .900      .900 peak   209 spectrum    1 weight   .10000E+01 volume   .21165E-02 ppm1      2.772 ppm2      7.117 CV     1
  ASSI {  210}
    (( segid "    " and resid 25   and name HB2 ))
    (( segid "    " and resid 25   and name HN  ))
       2.500      .800      .800 peak   210 spectrum    1 weight   .10000E+01 volume   .37007E-02 ppm1      2.776 ppm2      8.327 CV     1
  ASSI {  211}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HD21))
       2.800     1.000     1.000 peak   211 spectrum    1 weight   .10000E+01 volume   .18396E-02 ppm1      2.642 ppm2      7.536 CV     1
  ASSI {  212}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HD22))
       3.100     1.200     1.200 peak   212 spectrum    1 weight   .10000E+01 volume   .97784E-03 ppm1      2.642 ppm2      7.118 CV     1
  ASSI {  213}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HN  ))
       2.700      .900      .900 peak   213 spectrum    1 weight   .10000E+01 volume   .21965E-02 ppm1      2.642 ppm2      8.328 CV     1
  ASSI {  214}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
       3.100     1.200     1.200 peak   214 spectrum    1 weight   .10000E+01 volume   .94068E-03 ppm1      2.643 ppm2      7.090 CV     1
  ASSI {  215}
    (( segid "    " and resid 25   and name HD21))
    (( segid "    " and resid 25   and name HN  ))
       3.200     1.300     1.300 peak   215 spectrum    1 weight   .10000E+01 volume   .78441E-03 ppm1      7.539 ppm2      8.325 CV     1
  ASSI {  216}
    (( segid "    " and resid 25   and name HD22))
    (( segid "    " and resid 25   and name HD21))
       1.700      .300      .500 peak   216 spectrum    1 weight   .10000E+01 volume   .41391E-01 ppm1      7.120 ppm2      7.534 CV     1
  ASSI {  217}
    (( segid "    " and resid 25   and name HN  ))
    (( segid "    " and resid 24   and name HN  ))
       2.900     1.100     1.100 peak   217 spectrum    1 weight   .10000E+01 volume   .13522E-02 ppm1      8.323 ppm2      8.665 CV     1
  ASSI {  218}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
       2.900     1.100     1.100 peak   218 spectrum    1 weight   .10000E+01 volume   .14727E-02 ppm1      2.799 ppm2      7.090 CV     1
  ASSI {  219}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
       3.200     1.300     1.300 peak   219 spectrum    1 weight   .10000E+01 volume   .83413E-03 ppm1      2.592 ppm2      7.088 CV     1
  ASSI {  220}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       2.600      .900      .900 peak   220 spectrum    1 weight   .10000E+01 volume   .27356E-02 ppm1      7.095 ppm2      8.327 CV     1
  ASSI {  221}
    (( segid "    " and resid 26   and name HN  ))
    (( segid "    " and resid 27   and name HN  ))
       2.600      .800      .800 peak   221 spectrum    1 weight   .10000E+01 volume   .30515E-02 ppm1      7.097 ppm2      7.875 CV     1
  ASSI {  222}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 26   and name HN  ))
       3.200     1.300     1.300 peak   222 spectrum    1 weight   .10000E+01 volume   .82641E-03 ppm1      3.802 ppm2      7.092 CV     1
  ASSI {  223}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       2.100      .600      .600 peak   223 spectrum    1 weight   .10000E+01 volume   .97471E-02 ppm1      3.800 ppm2      7.874 CV     1
  ASSI {  224}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       2.300      .700      .700 peak   224 spectrum    1 weight   .10000E+01 volume   .53245E-02 ppm1      3.798 ppm2      7.913 CV     1
  ASSI {  225}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 27   and name HN  ))
       3.400     1.400     1.400 peak   225 spectrum    1 weight   .10000E+01 volume   .57260E-03 ppm1      1.964 ppm2      7.876 CV     1
  ASSI {  226}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
       3.500     1.500     1.500 peak   226 spectrum    1 weight   .10000E+01 volume   .49026E-03 ppm1      1.965 ppm2      7.916 CV     1
  ASSI {  227}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 24   and name HD2 ))
       2.400      .700      .700 peak   227 spectrum    1 weight   .10000E+01 volume   .43210E-02 ppm1      1.914 ppm2      6.946 CV     1
  ASSI {  228}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
       3.400     1.500     1.500 peak   228 spectrum    1 weight   .10000E+01 volume   .56508E-03 ppm1      1.912 ppm2      7.876 CV     1
  ASSI {  229}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
       3.300     1.300     1.300 peak   229 spectrum    1 weight   .10000E+01 volume   .71516E-03 ppm1      1.912 ppm2      7.915 CV     1
  ASSI {  230}
    (( segid "    " and resid 27   and name HG2 ))
    (( segid "    " and resid 27   and name HN  ))
       2.600      .800      .800 peak   230 spectrum    1 weight   .10000E+01 volume   .30656E-02 ppm1      1.496 ppm2      7.874 CV     1
  OR {  230}
    (( segid "    " and resid 27   and name HG3 ))
    (( segid "    " and resid 27   and name HN  ))
  ASSI {  231}
    (( segid "    " and resid 27   and name HN  ))
    (( segid "    " and resid 25   and name HN  ))
       3.400     1.500     1.500 peak   231 spectrum    1 weight   .10000E+01 volume   .53799E-03 ppm1      7.877 ppm2      8.321 CV     1
  ASSI {  232}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.300      .600      .600 peak   232 spectrum    1 weight   .10000E+01 volume   .64010E-02 ppm1      4.650 ppm2      8.197 CV     1
  ASSI {  233}
    (( segid "    " and resid 28   and name HB2 ))
    (( segid "    " and resid 29   and name HN  ))
       2.900     1.000     1.000 peak   233 spectrum    1 weight   .10000E+01 volume   .16334E-02 ppm1      3.789 ppm2      8.196 CV     1
  OR {  233}
    (( segid "    " and resid 28   and name HB3 ))
    (( segid "    " and resid 29   and name HN  ))
  ASSI {  234}
    (( segid "    " and resid 28   and name HN  ))
    (( segid "    " and resid 23   and name HN  ))
       3.400     1.400     1.400 peak   234 spectrum    1 weight   .10000E+01 volume   .57030E-03 ppm1      7.914 ppm2      8.295 CV     1
  ASSI {  235}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       3.100     1.200     1.200 peak   235 spectrum    1 weight   .10000E+01 volume   .95765E-03 ppm1      5.494 ppm2      8.293 CV     1
  ASSI {  236}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.900     1.000     1.000 peak   236 spectrum    1 weight   .10000E+01 volume   .15602E-02 ppm1      5.496 ppm2      8.195 CV     1
  ASSI {  237}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       2.300      .600      .600 peak   237 spectrum    1 weight   .10000E+01 volume   .66977E-02 ppm1      5.498 ppm2      9.078 CV     1
  ASSI {  238}
    (( segid "    " and resid 29   and name HB  ))
    (( segid "    " and resid 29   and name HN  ))
       2.800     1.000     1.000 peak   238 spectrum    1 weight   .10000E+01 volume   .17962E-02 ppm1      3.925 ppm2      8.196 CV     1
  ASSI {  239}
    (( segid "    " and resid 29   and name HB  ))
    (( segid "    " and resid 30   and name HN  ))
       2.800      .900      .900 peak   239 spectrum    1 weight   .10000E+01 volume   .20192E-02 ppm1      3.925 ppm2      9.080 CV     1
  ASSI {  240}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 23   and name HN  ))
       3.300     1.300     1.300 peak   240 spectrum    1 weight   .10000E+01 volume   .70840E-03 ppm1      1.028 ppm2      8.291 CV     1
  ASSI {  241}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 29   and name HN  ))
       3.100     1.200     1.200 peak   241 spectrum    1 weight   .10000E+01 volume   .10516E-02 ppm1      1.027 ppm2      8.196 CV     1
  ASSI {  242}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 30   and name HN  ))
       2.600      .900      .900 peak   242 spectrum    1 weight   .10000E+01 volume   .27701E-02 ppm1      1.027 ppm2      9.078 CV     1
  ASSI {  243}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HE21))
       2.800     1.000     1.000 peak   243 spectrum    1 weight   .10000E+01 volume   .17995E-02 ppm1      2.458 ppm2      6.920 CV     1
  ASSI {  244}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HE22))
       3.200     1.300     1.300 peak   244 spectrum    1 weight   .10000E+01 volume   .85724E-03 ppm1      2.459 ppm2      6.444 CV     1
  ASSI {  245}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       3.100     1.200     1.200 peak   245 spectrum    1 weight   .10000E+01 volume   .10014E-02 ppm1      2.460 ppm2      9.077 CV     1
  ASSI {  246}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       2.900     1.100     1.100 peak   246 spectrum    1 weight   .10000E+01 volume   .14754E-02 ppm1      2.460 ppm2      8.770 CV     1
  ASSI {  247}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 32   and name HE1 ))
       2.900     1.100     1.100 peak   247 spectrum    1 weight   .10000E+01 volume   .14095E-02 ppm1      2.461 ppm2      7.892 CV     1
  ASSI {  248}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
       3.000     1.100     1.100 peak   248 spectrum    1 weight   .10000E+01 volume   .12494E-02 ppm1      2.460 ppm2      7.728 CV     1
  ASSI {  249}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HE21))
       3.100     1.200     1.200 peak   249 spectrum    1 weight   .10000E+01 volume   .10047E-02 ppm1      2.097 ppm2      6.918 CV     1
  ASSI {  250}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
       3.300     1.300     1.300 peak   250 spectrum    1 weight   .10000E+01 volume   .70565E-03 ppm1      2.095 ppm2      9.079 CV     1
  ASSI {  251}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 31   and name HN  ))
       2.600      .900      .900 peak   251 spectrum    1 weight   .10000E+01 volume   .26722E-02 ppm1      2.095 ppm2      8.771 CV     1
  ASSI {  252}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 32   and name HE1 ))
       2.700      .900      .900 peak   252 spectrum    1 weight   .10000E+01 volume   .22844E-02 ppm1      2.097 ppm2      7.891 CV     1
  ASSI {  253}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
       3.100     1.200     1.200 peak   253 spectrum    1 weight   .10000E+01 volume   .10594E-02 ppm1      2.098 ppm2      7.728 CV     1
  ASSI {  254}
    (( segid "    " and resid 30   and name HE21))
    (( segid "    " and resid 32   and name HE1 ))
       3.000     1.100     1.100 peak   254 spectrum    1 weight   .10000E+01 volume   .11817E-02 ppm1      6.915 ppm2      7.892 CV     1
  ASSI {  255}
    (( segid "    " and resid 30   and name HE21))
    (( segid "    " and resid 32   and name HN  ))
       3.100     1.200     1.200 peak   255 spectrum    1 weight   .10000E+01 volume   .98150E-03 ppm1      6.915 ppm2      7.727 CV     1
  ASSI {  256}
    (( segid "    " and resid 30   and name HE22))
    (( segid "    " and resid 9    and name HH2 ))
       3.100     1.200     1.200 peak   256 spectrum    1 weight   .10000E+01 volume   .10462E-02 ppm1      6.445 ppm2      6.983 CV     1
  ASSI {  257}
    (( segid "    " and resid 30   and name HE22))
    (( segid "    " and resid 30   and name HE21))
       1.700      .400      .500 peak   257 spectrum    1 weight   .10000E+01 volume   .37807E-01 ppm1      6.446 ppm2      6.921 CV     1
  ASSI {  258}
    (( segid "    " and resid 30   and name HE22))
    (( segid "    " and resid 32   and name HE1 ))
       3.100     1.200     1.200 peak   258 spectrum    1 weight   .10000E+01 volume   .97506E-03 ppm1      6.447 ppm2      7.891 CV     1
  ASSI {  259}
    (( segid "    " and resid 30   and name HE22))
    (( segid "    " and resid 32   and name HN  ))
       3.500     1.500     1.500 peak   259 spectrum    1 weight   .10000E+01 volume   .51571E-03 ppm1      6.446 ppm2      7.726 CV     1
  ASSI {  260}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 30   and name HE21))
       2.300      .700      .700 peak   260 spectrum    1 weight   .10000E+01 volume   .62740E-02 ppm1      2.382 ppm2      6.920 CV     1
  ASSI {  261}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 30   and name HE22))
       2.600      .900      .900 peak   261 spectrum    1 weight   .10000E+01 volume   .27887E-02 ppm1      2.383 ppm2      6.444 CV     1
  ASSI {  262}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 30   and name HN  ))
       3.000     1.100     1.100 peak   262 spectrum    1 weight   .10000E+01 volume   .12756E-02 ppm1      2.381 ppm2      9.078 CV     1
  ASSI {  263}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 32   and name HE1 ))
       3.300     1.400     1.400 peak   263 spectrum    1 weight   .10000E+01 volume   .67892E-03 ppm1      2.385 ppm2      7.891 CV     1
  ASSI {  264}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 32   and name HN  ))
       2.800     1.000     1.000 peak   264 spectrum    1 weight   .10000E+01 volume   .18670E-02 ppm1      2.381 ppm2      7.729 CV     1
  ASSI {  265}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 30   and name HE21))
       2.700      .900      .900 peak   265 spectrum    1 weight   .10000E+01 volume   .22639E-02 ppm1      2.195 ppm2      6.920 CV     1
  ASSI {  266}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 30   and name HE22))
       3.100     1.200     1.200 peak   266 spectrum    1 weight   .10000E+01 volume   .91368E-03 ppm1      2.196 ppm2      6.444 CV     1
  ASSI {  267}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 30   and name HN  ))
       2.600      .900      .900 peak   267 spectrum    1 weight   .10000E+01 volume   .26847E-02 ppm1      2.187 ppm2      9.078 CV     1
  ASSI {  268}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 31   and name HN  ))
       3.200     1.300     1.300 peak   268 spectrum    1 weight   .10000E+01 volume   .75995E-03 ppm1      2.172 ppm2      8.771 CV     1
  ASSI {  269}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 32   and name HE1 ))
       3.400     1.400     1.400 peak   269 spectrum    1 weight   .10000E+01 volume   .58158E-03 ppm1      2.188 ppm2      7.892 CV     1
  ASSI {  270}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 32   and name HN  ))
       3.000     1.200     1.200 peak   270 spectrum    1 weight   .10000E+01 volume   .11313E-02 ppm1      2.188 ppm2      7.728 CV     1
  ASSI {  271}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       2.900     1.100     1.100 peak   271 spectrum    1 weight   .10000E+01 volume   .14770E-02 ppm1      4.898 ppm2      8.771 CV     1
  ASSI {  272}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       2.500      .800      .800 peak   272 spectrum    1 weight   .10000E+01 volume   .33409E-02 ppm1      3.612 ppm2      8.772 CV     1
  ASSI {  273}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
       3.300     1.300     1.300 peak   273 spectrum    1 weight   .10000E+01 volume   .74512E-03 ppm1      3.618 ppm2      7.729 CV     1
  ASSI {  274}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HN  ))
       2.600      .800      .800 peak   274 spectrum    1 weight   .10000E+01 volume   .32100E-02 ppm1      3.164 ppm2      8.771 CV     1
  ASSI {  275}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
       3.100     1.200     1.200 peak   275 spectrum    1 weight   .10000E+01 volume   .10643E-02 ppm1      3.166 ppm2      7.730 CV     1
  ASSI {  276}
    (( segid "    " and resid 31   and name HD1 ))
    (( segid "    " and resid 31   and name HE1 ))
       2.300      .700      .700 peak   276 spectrum    1 weight   .10000E+01 volume   .57088E-02 ppm1      7.365 ppm2     10.061 CV     1
  ASSI {  277}
    (( segid "    " and resid 31   and name HD1 ))
    (( segid "    " and resid 31   and name HN  ))
       3.000     1.100     1.100 peak   277 spectrum    1 weight   .10000E+01 volume   .13308E-02 ppm1      7.376 ppm2      8.770 CV     1
  ASSI {  278}
    (( segid "    " and resid 31   and name HH2 ))
    (( segid "    " and resid 31   and name HZ2 ))
       2.100      .600      .600 peak   278 spectrum    1 weight   .10000E+01 volume   .91445E-02 ppm1      7.073 ppm2      7.261 CV     1
  ASSI {  279}
    (( segid "    " and resid 31   and name HZ2 ))
    (( segid "    " and resid 31   and name HE1 ))
       2.700      .900      .900 peak   279 spectrum    1 weight   .10000E+01 volume   .22458E-02 ppm1      7.258 ppm2     10.061 CV     1
  ASSI {  280}
    (( segid "    " and resid 31   and name HZ3 ))
    (( segid "    " and resid 31   and name HE3 ))
       2.400      .700      .700 peak   280 spectrum    1 weight   .10000E+01 volume   .49012E-02 ppm1      6.880 ppm2      8.023 CV     1
  ASSI {  281}
    (( segid "    " and resid 31   and name HZ3 ))
    (( segid "    " and resid 31   and name HH2 ))
       2.400      .700      .700 peak   281 spectrum    1 weight   .10000E+01 volume   .52382E-02 ppm1      6.887 ppm2      7.077 CV     1
  ASSI {  282}
    (( segid "    " and resid 31   and name HZ3 ))
    (( segid "    " and resid 31   and name HZ2 ))
       3.000     1.100     1.100 peak   282 spectrum    1 weight   .10000E+01 volume   .11427E-02 ppm1      6.887 ppm2      7.261 CV     1
  ASSI {  283}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       2.400      .700      .700 peak   283 spectrum    1 weight   .10000E+01 volume   .49316E-02 ppm1      4.882 ppm2      8.507 CV     1
  ASSI {  284}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 30   and name HE22))
       3.400     1.500     1.500 peak   284 spectrum    1 weight   .10000E+01 volume   .53224E-03 ppm1      3.024 ppm2      6.445 CV     1
  OR {  284}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 30   and name HE22))
  ASSI {  285}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 32   and name HD2 ))
       2.200      .600      .600 peak   285 spectrum    1 weight   .10000E+01 volume   .88023E-02 ppm1      3.025 ppm2      6.908 CV     1
  OR {  285}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 32   and name HD2 ))
  ASSI {  286}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
       2.400      .700      .700 peak   286 spectrum    1 weight   .10000E+01 volume   .46919E-02 ppm1      3.024 ppm2      7.729 CV     1
  OR {  286}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  287}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
       2.500      .800      .800 peak   287 spectrum    1 weight   .10000E+01 volume   .35170E-02 ppm1      3.022 ppm2      8.506 CV     1
  OR {  287}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  288}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 31   and name HN  ))
       2.600      .800      .800 peak   288 spectrum    1 weight   .10000E+01 volume   .28195E-02 ppm1      7.733 ppm2      8.772 CV     1
  ASSI {  289}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 30   and name HE21))
       3.100     1.200     1.200 peak   289 spectrum    1 weight   .10000E+01 volume   .91066E-03 ppm1      2.615 ppm2      6.920 CV     1
  ASSI {  290}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       2.900     1.100     1.100 peak   290 spectrum    1 weight   .10000E+01 volume   .14735E-02 ppm1      2.617 ppm2      8.506 CV     1
  ASSI {  291}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 33   and name HN  ))
       2.600      .800      .800 peak   291 spectrum    1 weight   .10000E+01 volume   .31187E-02 ppm1      1.367 ppm2      8.506 CV     1
  OR {  291}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  292}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 30   and name HE21))
       2.800     1.000     1.000 peak   292 spectrum    1 weight   .10000E+01 volume   .19943E-02 ppm1      3.954 ppm2      6.920 CV     1
  ASSI {  293}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 30   and name HE22))
       2.600      .900      .900 peak   293 spectrum    1 weight   .10000E+01 volume   .25586E-02 ppm1      3.953 ppm2      6.445 CV     1
  ASSI {  294}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       2.300      .700      .700 peak   294 spectrum    1 weight   .10000E+01 volume   .62563E-02 ppm1      3.957 ppm2      7.920 CV     1
  ASSI {  295}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 9    and name HE1 ))
       3.300     1.300     1.300 peak   295 spectrum    1 weight   .10000E+01 volume   .73041E-03 ppm1       .760 ppm2     10.475 CV     1
  ASSI {  296}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 30   and name HE21))
       3.100     1.200     1.200 peak   296 spectrum    1 weight   .10000E+01 volume   .10360E-02 ppm1       .739 ppm2      6.918 CV     1
  ASSI {  297}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 30   and name HE22))
       3.200     1.300     1.300 peak   297 spectrum    1 weight   .10000E+01 volume   .88382E-03 ppm1       .742 ppm2      6.442 CV     1
  ASSI {  298}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       2.300      .600      .600 peak   298 spectrum    1 weight   .10000E+01 volume   .65825E-02 ppm1      4.324 ppm2      7.909 CV     1
  ASSI {  299}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HN  ))
       2.800     1.000     1.000 peak   299 spectrum    1 weight   .10000E+01 volume   .17880E-02 ppm1      4.078 ppm2      7.911 CV     1
  ASSI {  300}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       2.300      .700      .700 peak   300 spectrum    1 weight   .10000E+01 volume   .56704E-02 ppm1      1.508 ppm2      7.907 CV     1
  OR {  300}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 36   and name HN  ))
  ASSI {    3}
    (( segid "    " and resid 5    and name HB3 ))
    (( segid "    " and resid 9    and name HB2 ))
       3.100     1.200     1.200 peak     3 spectrum    2 weight   .10000E+01 volume   .34268E-03 ppm1      1.687 ppm2      3.160 CV     1
  ASSI {    4}
    (( segid "    " and resid 5    and name HB3 ))
    (( segid "    " and resid 9    and name HB3 ))
       3.500     1.600     1.600 peak     4 spectrum    2 weight   .10000E+01 volume   .14326E-03 ppm1      1.688 ppm2      2.920 CV     1
  ASSI {    5}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 6    and name HD2 ))
       3.600     1.600     1.600 peak     5 spectrum    2 weight   .10000E+01 volume   .12893E-03 ppm1      1.006 ppm2      3.430 CV     1
  ASSI {    6}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 9    and name HB2 ))
       3.000     1.100     1.100 peak     6 spectrum    2 weight   .10000E+01 volume   .40691E-03 ppm1      1.004 ppm2      3.161 CV     1
  ASSI {    7}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 9    and name HD1 ))
       3.700     1.700     1.700 peak     7 spectrum    2 weight   .10000E+01 volume   .10690E-03 ppm1      1.001 ppm2      6.970 CV     1
  ASSI {    8}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 9    and name HE3 ))
       3.300     1.400     1.400 peak     8 spectrum    2 weight   .10000E+01 volume   .20004E-03 ppm1      1.007 ppm2      7.242 CV     1
  ASSI {    9}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 11   and name HB2 ))
       2.600      .800      .800 peak     9 spectrum    2 weight   .10000E+01 volume   .95768E-03 ppm1      1.004 ppm2      1.929 CV     1
  OR {    9}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 11   and name HB3 ))
  ASSI {   10}
    (  segid "    " and resid 5    and name HD1%)
    (  segid "    " and resid 21   and name HD% )
       2.200      .600      .600 peak    10 spectrum    2 weight   .10000E+01 volume   .25447E-02 ppm1       .998 ppm2      6.721 CV     1
  ASSI {   11}
    (  segid "    " and resid 5    and name HD1%)
    (( segid "    " and resid 33   and name HA  ))
       3.900     1.900     1.900 peak    11 spectrum    2 weight   .10000E+01 volume   .85104E-04 ppm1      1.004 ppm2      2.626 CV     1
  ASSI {   12}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 6    and name HD2 ))
       2.800     1.000     1.000 peak    12 spectrum    2 weight   .10000E+01 volume   .59734E-03 ppm1       .692 ppm2      3.430 CV     1
  ASSI {   13}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 9    and name HB2 ))
       3.200     1.300     1.300 peak    13 spectrum    2 weight   .10000E+01 volume   .26175E-03 ppm1       .693 ppm2      3.158 CV     1
  ASSI {   14}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 9    and name HD1 ))
       3.500     1.600     1.600 peak    14 spectrum    2 weight   .10000E+01 volume   .14734E-03 ppm1       .692 ppm2      6.971 CV     1
  ASSI {   15}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 9    and name HE3 ))
       3.400     1.400     1.400 peak    15 spectrum    2 weight   .10000E+01 volume   .19228E-03 ppm1       .695 ppm2      7.243 CV     1
  ASSI {   16}
    (  segid "    " and resid 5    and name HD2%)
    (  segid "    " and resid 21   and name HD% )
       2.300      .600      .600 peak    16 spectrum    2 weight   .10000E+01 volume   .20204E-02 ppm1       .695 ppm2      6.721 CV     1
  ASSI {   17}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 33   and name HA  ))
       3.300     1.300     1.300 peak    17 spectrum    2 weight   .10000E+01 volume   .22418E-03 ppm1       .693 ppm2      2.626 CV     1
  ASSI {   18}
    (( segid "    " and resid 5    and name HG  ))
    (( segid "    " and resid 6    and name HD2 ))
       3.000     1.100     1.100 peak    18 spectrum    2 weight   .10000E+01 volume   .37742E-03 ppm1      1.345 ppm2      3.430 CV     1
  ASSI {   19}
    (( segid "    " and resid 5    and name HG  ))
    (( segid "    " and resid 6    and name HD3 ))
       2.900     1.000     1.000 peak    19 spectrum    2 weight   .10000E+01 volume   .49471E-03 ppm1      1.345 ppm2      2.782 CV     1
  ASSI {   20}
    (( segid "    " and resid 5    and name HG  ))
    (( segid "    " and resid 9    and name HB2 ))
       2.700      .900      .900 peak    20 spectrum    2 weight   .10000E+01 volume   .66995E-03 ppm1      1.343 ppm2      3.161 CV     1
  ASSI {   21}
    (( segid "    " and resid 5    and name HG  ))
    (( segid "    " and resid 9    and name HB3 ))
       3.100     1.200     1.200 peak    21 spectrum    2 weight   .10000E+01 volume   .29359E-03 ppm1      1.343 ppm2      2.920 CV     1
  ASSI {   22}
    (( segid "    " and resid 5    and name HG  ))
    (( segid "    " and resid 9    and name HD1 ))
       3.300     1.300     1.300 peak    22 spectrum    2 weight   .10000E+01 volume   .22467E-03 ppm1      1.344 ppm2      6.970 CV     1
  ASSI {   23}
    (( segid "    " and resid 5    and name HG  ))
    (( segid "    " and resid 9    and name HE3 ))
       4.000     2.000     2.000 peak    23 spectrum    2 weight   .10000E+01 volume   .69224E-04 ppm1      1.345 ppm2      7.240 CV     1
  ASSI {   24}
    (( segid "    " and resid 6    and name HB2 ))
    (( segid "    " and resid 9    and name HD1 ))
       2.700      .900      .900 peak    24 spectrum    2 weight   .10000E+01 volume   .79970E-03 ppm1      2.491 ppm2      6.970 CV     1
  ASSI {   25}
    (( segid "    " and resid 6    and name HB3 ))
    (( segid "    " and resid 9    and name HD1 ))
       2.200      .600      .600 peak    25 spectrum    2 weight   .10000E+01 volume   .22949E-02 ppm1      1.921 ppm2      6.970 CV     1
  ASSI {   26}
    (( segid "    " and resid 6    and name HD2 ))
    (( segid "    " and resid 5    and name HA  ))
       2.500      .800      .800 peak    26 spectrum    2 weight   .10000E+01 volume   .12450E-02 ppm1      3.430 ppm2      4.386 CV     1
  ASSI {   27}
    (( segid "    " and resid 6    and name HD2 ))
    (( segid "    " and resid 9    and name HD1 ))
       3.100     1.200     1.200 peak    27 spectrum    2 weight   .10000E+01 volume   .33052E-03 ppm1      3.432 ppm2      6.970 CV     1
  ASSI {   28}
    (( segid "    " and resid 6    and name HD3 ))
    (( segid "    " and resid 5    and name HA  ))
       2.700      .900      .900 peak    28 spectrum    2 weight   .10000E+01 volume   .67087E-03 ppm1      2.781 ppm2      4.387 CV     1
  ASSI {   29}
    (( segid "    " and resid 6    and name HD3 ))
    (( segid "    " and resid 9    and name HD1 ))
       2.700      .900      .900 peak    29 spectrum    2 weight   .10000E+01 volume   .78204E-03 ppm1      2.780 ppm2      6.970 CV     1
  ASSI {   30}
    (( segid "    " and resid 6    and name HG2 ))
    (( segid "    " and resid 9    and name HD1 ))
       3.100     1.200     1.200 peak    30 spectrum    2 weight   .10000E+01 volume   .32929E-03 ppm1      1.634 ppm2      6.970 CV     1
  ASSI {   31}
    (( segid "    " and resid 6    and name HG3 ))
    (( segid "    " and resid 9    and name HD1 ))
       2.700      .900      .900 peak    31 spectrum    2 weight   .10000E+01 volume   .80753E-03 ppm1      1.450 ppm2      6.970 CV     1
  ASSI {   33}
    (( segid "    " and resid 7    and name HD3 ))
    (( segid "    " and resid 9    and name HD1 ))
       3.500     1.500     1.500 peak    33 spectrum    2 weight   .10000E+01 volume   .15863E-03 ppm1      3.611 ppm2      6.969 CV     1
  ASSI {   34}
    (( segid "    " and resid 8    and name HA1 ))
    (( segid "    " and resid 9    and name HD1 ))
       3.600     1.600     1.600 peak    34 spectrum    2 weight   .10000E+01 volume   .13042E-03 ppm1      4.150 ppm2      6.969 CV     1
  ASSI {   35}
    (( segid "    " and resid 8    and name HA2 ))
    (( segid "    " and resid 24   and name HD2 ))
       3.600     1.600     1.600 peak    35 spectrum    2 weight   .10000E+01 volume   .12873E-03 ppm1      3.590 ppm2      7.030 CV     1
  ASSI {   36}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 9    and name HD1 ))
       3.300     1.300     1.300 peak    36 spectrum    2 weight   .10000E+01 volume   .22744E-03 ppm1      5.478 ppm2      6.969 CV     1
  ASSI {   37}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 9    and name HE3 ))
       2.900     1.100     1.100 peak    37 spectrum    2 weight   .10000E+01 volume   .45254E-03 ppm1      5.485 ppm2      7.240 CV     1
  ASSI {   38}
    (( segid "    " and resid 9    and name HA  ))
    (( segid "    " and resid 24   and name HD2 ))
       3.500     1.500     1.500 peak    38 spectrum    2 weight   .10000E+01 volume   .16304E-03 ppm1      5.477 ppm2      7.031 CV     1
  ASSI {   39}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 9    and name HD1 ))
       2.600      .800      .800 peak    39 spectrum    2 weight   .10000E+01 volume   .10234E-02 ppm1      3.166 ppm2      6.970 CV     1
  ASSI {   40}
    (( segid "    " and resid 9    and name HB2 ))
    (( segid "    " and resid 9    and name HE3 ))
       2.900     1.100     1.100 peak    40 spectrum    2 weight   .10000E+01 volume   .45669E-03 ppm1      3.165 ppm2      7.240 CV     1
  ASSI {   41}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 9    and name HD1 ))
       2.800     1.000     1.000 peak    41 spectrum    2 weight   .10000E+01 volume   .58127E-03 ppm1      2.920 ppm2      6.970 CV     1
  ASSI {   42}
    (( segid "    " and resid 9    and name HB3 ))
    (( segid "    " and resid 9    and name HE3 ))
       2.200      .600      .600 peak    42 spectrum    2 weight   .10000E+01 volume   .22125E-02 ppm1      2.922 ppm2      7.240 CV     1
  ASSI {   43}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 9    and name HA  ))
       4.000     2.000     2.000 peak    43 spectrum    2 weight   .10000E+01 volume   .69068E-04 ppm1      1.919 ppm2      5.479 CV     1
  OR {   43}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 9    and name HA  ))
  ASSI {   44}
    (( segid "    " and resid 10   and name HG2 ))
    (( segid "    " and resid 24   and name HD2 ))
       3.700     1.700     1.700 peak    44 spectrum    2 weight   .10000E+01 volume   .11906E-03 ppm1      2.281 ppm2      7.031 CV     1
  ASSI {   45}
    (( segid "    " and resid 10   and name HG3 ))
    (( segid "    " and resid 24   and name HD2 ))
       3.800     1.800     1.800 peak    45 spectrum    2 weight   .10000E+01 volume   .94289E-04 ppm1      2.165 ppm2      7.030 CV     1
  ASSI {   46}
    (( segid "    " and resid 11   and name HA  ))
    (( segid "    " and resid 21   and name HA  ))
       2.700      .900      .900 peak    46 spectrum    2 weight   .10000E+01 volume   .79001E-03 ppm1      4.367 ppm2      5.268 CV     1
  ASSI {   47}
    (( segid "    " and resid 11   and name HA  ))
    (  segid "    " and resid 21   and name HD% )
       2.500      .800      .800 peak    47 spectrum    2 weight   .10000E+01 volume   .12580E-02 ppm1      4.367 ppm2      6.720 CV     1
  ASSI {   48}
    (( segid "    " and resid 11   and name HB3 ))
    (( segid "    " and resid 21   and name HA  ))
       3.500     1.600     1.600 peak    48 spectrum    2 weight   .10000E+01 volume   .14375E-03 ppm1      1.931 ppm2      5.266 CV     1
  OR {   48}
    (( segid "    " and resid 11   and name HB2 ))
    (( segid "    " and resid 21   and name HA  ))
  ASSI {   49}
    (( segid "    " and resid 11   and name HB3 ))
    (  segid "    " and resid 21   and name HD% )
       2.300      .700      .700 peak    49 spectrum    2 weight   .10000E+01 volume   .17570E-02 ppm1      1.932 ppm2      6.717 CV     1
  OR {   49}
    (( segid "    " and resid 11   and name HB2 ))
    (  segid "    " and resid 21   and name HD% )
  ASSI {   50}
    (( segid "    " and resid 11   and name HG2 ))
    (  segid "    " and resid 21   and name HD% )
       2.800     1.000     1.000 peak    50 spectrum    2 weight   .10000E+01 volume   .57953E-03 ppm1      1.841 ppm2      6.717 CV     1
  ASSI {   51}
    (( segid "    " and resid 11   and name HG3 ))
    (  segid "    " and resid 21   and name HD% )
       2.600      .900      .900 peak    51 spectrum    2 weight   .10000E+01 volume   .85005E-03 ppm1      1.764 ppm2      6.719 CV     1
  ASSI {   52}
    (( segid "    " and resid 12   and name HB2 ))
    (  segid "    " and resid 20   and name HD% )
       3.400     1.500     1.500 peak    52 spectrum    2 weight   .10000E+01 volume   .16764E-03 ppm1      1.227 ppm2      6.691 CV     1
  ASSI {   53}
    (( segid "    " and resid 12   and name HB2 ))
    (  segid "    " and resid 20   and name HE% )
       2.900     1.000     1.000 peak    53 spectrum    2 weight   .10000E+01 volume   .49036E-03 ppm1      1.227 ppm2      6.278 CV     1
  ASSI {   54}
    (( segid "    " and resid 12   and name HB3 ))
    (  segid "    " and resid 20   and name HD% )
       3.400     1.500     1.500 peak    54 spectrum    2 weight   .10000E+01 volume   .17094E-03 ppm1      -.023 ppm2      6.691 CV     1
  ASSI {   55}
    (( segid "    " and resid 12   and name HB3 ))
    (  segid "    " and resid 20   and name HE% )
       2.900     1.100     1.100 peak    55 spectrum    2 weight   .10000E+01 volume   .46511E-03 ppm1      -.023 ppm2      6.278 CV     1
  ASSI {   56}
    (( segid "    " and resid 12   and name HB3 ))
    (  segid "    " and resid 22   and name HG1%)
       3.000     1.100     1.100 peak    56 spectrum    2 weight   .10000E+01 volume   .41091E-03 ppm1      -.034 ppm2       .696 CV     1
  ASSI {   57}
    (( segid "    " and resid 12   and name HD3 ))
    (  segid "    " and resid 20   and name HE% )
       3.000     1.100     1.100 peak    57 spectrum    2 weight   .10000E+01 volume   .36841E-03 ppm1      1.476 ppm2      6.278 CV     1
  OR {   57}
    (( segid "    " and resid 12   and name HD2 ))
    (  segid "    " and resid 20   and name HE% )
  ASSI {   58}
    (( segid "    " and resid 12   and name HG3 ))
    (  segid "    " and resid 20   and name HD% )
       3.700     1.700     1.700 peak    58 spectrum    2 weight   .10000E+01 volume   .11172E-03 ppm1       .917 ppm2      6.693 CV     1
  ASSI {   59}
    (( segid "    " and resid 12   and name HG3 ))
    (  segid "    " and resid 20   and name HE% )
       3.500     1.500     1.500 peak    59 spectrum    2 weight   .10000E+01 volume   .15146E-03 ppm1       .918 ppm2      6.278 CV     1
  ASSI {   60}
    (( segid "    " and resid 13   and name HA  ))
    (  segid "    " and resid 20   and name HD% )
       3.000     1.100     1.100 peak    60 spectrum    2 weight   .10000E+01 volume   .41294E-03 ppm1      4.967 ppm2      6.693 CV     1
  ASSI {   61}
    (( segid "    " and resid 13   and name HA  ))
    (  segid "    " and resid 20   and name HE% )
       3.400     1.400     1.400 peak    61 spectrum    2 weight   .10000E+01 volume   .18585E-03 ppm1      4.967 ppm2      6.278 CV     1
  ASSI {   62}
    (( segid "    " and resid 13   and name HB  ))
    (( segid "    " and resid 19   and name HA  ))
       3.400     1.400     1.400 peak    62 spectrum    2 weight   .10000E+01 volume   .19476E-03 ppm1      1.776 ppm2      4.935 CV     1
  ASSI {   63}
    (  segid "    " and resid 13   and name HG1%)
    (( segid "    " and resid 12   and name HA  ))
       3.200     1.300     1.300 peak    63 spectrum    2 weight   .10000E+01 volume   .27290E-03 ppm1       .905 ppm2      4.430 CV     1
  ASSI {   64}
    (  segid "    " and resid 13   and name HG1%)
    (( segid "    " and resid 17   and name HA1 ))
       2.800     1.000     1.000 peak    64 spectrum    2 weight   .10000E+01 volume   .62864E-03 ppm1       .903 ppm2      4.155 CV     1
  ASSI {   65}
    (  segid "    " and resid 13   and name HG1%)
    (( segid "    " and resid 17   and name HA2 ))
       2.500      .800      .800 peak    65 spectrum    2 weight   .10000E+01 volume   .12671E-02 ppm1       .904 ppm2      3.560 CV     1
  ASSI {   66}
    (  segid "    " and resid 13   and name HG1%)
    (( segid "    " and resid 19   and name HA  ))
       3.000     1.100     1.100 peak    66 spectrum    2 weight   .10000E+01 volume   .41233E-03 ppm1       .905 ppm2      4.937 CV     1
  ASSI {   67}
    (  segid "    " and resid 13   and name HG2%)
    (( segid "    " and resid 12   and name HA  ))
       3.500     1.500     1.500 peak    67 spectrum    2 weight   .10000E+01 volume   .16619E-03 ppm1       .824 ppm2      4.430 CV     1
  ASSI {   68}
    (  segid "    " and resid 13   and name HG2%)
    (( segid "    " and resid 17   and name HA1 ))
       3.400     1.500     1.500 peak    68 spectrum    2 weight   .10000E+01 volume   .18026E-03 ppm1       .825 ppm2      4.159 CV     1
  ASSI {   69}
    (  segid "    " and resid 13   and name HG2%)
    (( segid "    " and resid 17   and name HA2 ))
       3.200     1.200     1.200 peak    69 spectrum    2 weight   .10000E+01 volume   .28280E-03 ppm1       .819 ppm2      3.559 CV     1
  ASSI {   70}
    (  segid "    " and resid 13   and name HG2%)
    (( segid "    " and resid 19   and name HA  ))
       2.900     1.000     1.000 peak    70 spectrum    2 weight   .10000E+01 volume   .47992E-03 ppm1       .824 ppm2      4.937 CV     1
  ASSI {   71}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 20   and name HD% )
       3.000     1.100     1.100 peak    71 spectrum    2 weight   .10000E+01 volume   .39285E-03 ppm1      4.928 ppm2      6.693 CV     1
  ASSI {   72}
    (( segid "    " and resid 14   and name HA  ))
    (  segid "    " and resid 20   and name HE% )
       2.700      .900      .900 peak    72 spectrum    2 weight   .10000E+01 volume   .78645E-03 ppm1      4.928 ppm2      6.276 CV     1
  ASSI {   73}
    (( segid "    " and resid 14   and name HB2 ))
    (  segid "    " and resid 20   and name HD% )
       3.200     1.300     1.300 peak    73 spectrum    2 weight   .10000E+01 volume   .26644E-03 ppm1      3.406 ppm2      6.690 CV     1
  ASSI {   74}
    (( segid "    " and resid 14   and name HB2 ))
    (  segid "    " and resid 20   and name HE% )
       2.800     1.000     1.000 peak    74 spectrum    2 weight   .10000E+01 volume   .55874E-03 ppm1      3.407 ppm2      6.278 CV     1
  ASSI {   75}
    (( segid "    " and resid 14   and name HB3 ))
    (  segid "    " and resid 20   and name HD% )
       2.800     1.000     1.000 peak    75 spectrum    2 weight   .10000E+01 volume   .56052E-03 ppm1      2.780 ppm2      6.690 CV     1
  ASSI {   76}
    (( segid "    " and resid 14   and name HB3 ))
    (  segid "    " and resid 20   and name HE% )
       2.600      .800      .800 peak    76 spectrum    2 weight   .10000E+01 volume   .10245E-02 ppm1      2.780 ppm2      6.278 CV     1
  ASSI {   77}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 31   and name HD1 ))
       4.000     2.000     2.000 peak    77 spectrum    2 weight   .10000E+01 volume   .68095E-04 ppm1      1.933 ppm2      7.367 CV     1
  ASSI {   78}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 31   and name HE3 ))
       3.600     1.600     1.600 peak    78 spectrum    2 weight   .10000E+01 volume   .12767E-03 ppm1      1.931 ppm2      8.007 CV     1
  ASSI {   79}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 31   and name HH2 ))
       3.500     1.500     1.500 peak    79 spectrum    2 weight   .10000E+01 volume   .15596E-03 ppm1      1.934 ppm2      7.071 CV     1
  ASSI {   80}
    (( segid "    " and resid 18   and name HB2 ))
    (( segid "    " and resid 31   and name HZ3 ))
       2.800     1.000     1.000 peak    80 spectrum    2 weight   .10000E+01 volume   .60325E-03 ppm1      1.932 ppm2      6.880 CV     1
  ASSI {   81}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 31   and name HD1 ))
       3.900     1.900     1.900 peak    81 spectrum    2 weight   .10000E+01 volume   .82327E-04 ppm1      1.631 ppm2      7.365 CV     1
  ASSI {   82}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 31   and name HE3 ))
       4.100     2.100     1.900 peak    82 spectrum    2 weight   .10000E+01 volume   .62044E-04 ppm1      1.631 ppm2      8.009 CV     1
  ASSI {   83}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 31   and name HH2 ))
       3.800     1.800     1.800 peak    83 spectrum    2 weight   .10000E+01 volume   .93712E-04 ppm1      1.633 ppm2      7.071 CV     1
  ASSI {   84}
    (( segid "    " and resid 18   and name HB3 ))
    (( segid "    " and resid 31   and name HZ3 ))
       3.400     1.400     1.400 peak    84 spectrum    2 weight   .10000E+01 volume   .18717E-03 ppm1      1.633 ppm2      6.880 CV     1
  ASSI {   85}
    (( segid "    " and resid 18   and name HD2 ))
    (( segid "    " and resid 31   and name HZ3 ))
       3.700     1.700     1.700 peak    85 spectrum    2 weight   .10000E+01 volume   .11019E-03 ppm1      3.121 ppm2      6.883 CV     1
  ASSI {   86}
    (( segid "    " and resid 18   and name HD3 ))
    (( segid "    " and resid 31   and name HH2 ))
       3.700     1.700     1.700 peak    86 spectrum    2 weight   .10000E+01 volume   .11646E-03 ppm1      2.833 ppm2      7.072 CV     1
  ASSI {   87}
    (( segid "    " and resid 18   and name HD3 ))
    (( segid "    " and resid 31   and name HZ3 ))
       3.600     1.600     1.600 peak    87 spectrum    2 weight   .10000E+01 volume   .13667E-03 ppm1      2.833 ppm2      6.883 CV     1
  ASSI {   88}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 31   and name HH2 ))
       3.400     1.500     1.500 peak    88 spectrum    2 weight   .10000E+01 volume   .17955E-03 ppm1      2.298 ppm2      7.071 CV     1
  OR {   88}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 31   and name HH2 ))
  ASSI {   89}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 31   and name HZ3 ))
       2.900     1.100     1.100 peak    89 spectrum    2 weight   .10000E+01 volume   .43596E-03 ppm1      2.298 ppm2      6.885 CV     1
  OR {   89}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 31   and name HZ3 ))
  ASSI {   90}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 13   and name HA  ))
       2.300      .600      .600 peak    90 spectrum    2 weight   .10000E+01 volume   .20584E-02 ppm1      4.938 ppm2      4.980 CV     1
  ASSI {   91}
    (  segid "    " and resid 19   and name HG2%)
    (( segid "    " and resid 13   and name HA  ))
       3.300     1.400     1.400 peak    91 spectrum    2 weight   .10000E+01 volume   .21367E-03 ppm1       .991 ppm2      4.980 CV     1
  ASSI {   92}
    (  segid "    " and resid 19   and name HG2%)
    (( segid "    " and resid 20   and name HA  ))
       3.400     1.500     1.500 peak    92 spectrum    2 weight   .10000E+01 volume   .17592E-03 ppm1       .990 ppm2      4.609 CV     1
  ASSI {   93}
    (  segid "    " and resid 19   and name HG2%)
    (( segid "    " and resid 21   and name HA  ))
       3.800     1.800     1.800 peak    93 spectrum    2 weight   .10000E+01 volume   .89270E-04 ppm1       .993 ppm2      5.267 CV     1
  ASSI {   94}
    (( segid "    " and resid 20   and name HA  ))
    (  segid "    " and resid 20   and name HD% )
       3.900     1.900     1.900 peak    94 spectrum    2 weight   .10000E+01 volume   .85891E-04 ppm1      4.606 ppm2      6.691 CV     1
  ASSI {   95}
    (( segid "    " and resid 20   and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
       4.000     2.000     2.000 peak    95 spectrum    2 weight   .10000E+01 volume   .69640E-04 ppm1      4.604 ppm2      4.900 CV     1
  ASSI {   96}
    (( segid "    " and resid 20   and name HB2 ))
    (  segid "    " and resid 20   and name HD% )
       2.500      .800      .800 peak    96 spectrum    2 weight   .10000E+01 volume   .11514E-02 ppm1      2.430 ppm2      6.690 CV     1
  ASSI {   97}
    (( segid "    " and resid 20   and name HB2 ))
    (  segid "    " and resid 20   and name HE% )
       3.500     1.600     1.600 peak    97 spectrum    2 weight   .10000E+01 volume   .14385E-03 ppm1      2.430 ppm2      6.278 CV     1
  ASSI {   98}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 31   and name HA  ))
       3.500     1.600     1.600 peak    98 spectrum    2 weight   .10000E+01 volume   .14271E-03 ppm1      2.426 ppm2      4.900 CV     1
  ASSI {   99}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 31   and name HD1 ))
       3.500     1.500     1.500 peak    99 spectrum    2 weight   .10000E+01 volume   .15670E-03 ppm1      2.436 ppm2      7.365 CV     1
  ASSI {  100}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 31   and name HE3 ))
       3.100     1.200     1.200 peak   100 spectrum    2 weight   .10000E+01 volume   .33049E-03 ppm1      2.436 ppm2      8.005 CV     1
  ASSI {  101}
    (( segid "    " and resid 20   and name HB2 ))
    (( segid "    " and resid 31   and name HZ3 ))
       3.100     1.200     1.200 peak   101 spectrum    2 weight   .10000E+01 volume   .32564E-03 ppm1      2.435 ppm2      6.883 CV     1
  ASSI {  102}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 20   and name HD% )
       2.400      .700      .700 peak   102 spectrum    2 weight   .10000E+01 volume   .13110E-02 ppm1      2.128 ppm2      6.690 CV     1
  ASSI {  103}
    (( segid "    " and resid 20   and name HB3 ))
    (  segid "    " and resid 20   and name HE% )
       3.500     1.500     1.500 peak   103 spectrum    2 weight   .10000E+01 volume   .16270E-03 ppm1      2.128 ppm2      6.279 CV     1
  ASSI {  104}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 31   and name HA  ))
       3.400     1.500     1.500 peak   104 spectrum    2 weight   .10000E+01 volume   .17308E-03 ppm1      2.128 ppm2      4.900 CV     1
  ASSI {  105}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 31   and name HD1 ))
       3.600     1.600     1.600 peak   105 spectrum    2 weight   .10000E+01 volume   .12741E-03 ppm1      2.126 ppm2      7.365 CV     1
  ASSI {  106}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 31   and name HE3 ))
       3.300     1.400     1.400 peak   106 spectrum    2 weight   .10000E+01 volume   .21157E-03 ppm1      2.128 ppm2      8.005 CV     1
  ASSI {  107}
    (( segid "    " and resid 20   and name HB3 ))
    (( segid "    " and resid 31   and name HZ3 ))
       3.600     1.600     1.600 peak   107 spectrum    2 weight   .10000E+01 volume   .13865E-03 ppm1      2.129 ppm2      6.885 CV     1
  ASSI {  108}
    (  segid "    " and resid 20   and name HD% )
    (( segid "    " and resid 31   and name HZ3 ))
       3.100     1.200     1.200 peak   108 spectrum    2 weight   .10000E+01 volume   .29885E-03 ppm1      6.686 ppm2      6.882 CV     1
  ASSI {  109}
    (( segid "    " and resid 21   and name HA  ))
    (( segid "    " and resid 9    and name HE3 ))
       3.300     1.400     1.400 peak   109 spectrum    2 weight   .10000E+01 volume   .20144E-03 ppm1      5.267 ppm2      7.240 CV     1
  ASSI {  110}
    (( segid "    " and resid 21   and name HA  ))
    (  segid "    " and resid 21   and name HD% )
       2.500      .800      .800 peak   110 spectrum    2 weight   .10000E+01 volume   .11253E-02 ppm1      5.267 ppm2      6.721 CV     1
  ASSI {  111}
    (( segid "    " and resid 21   and name HB2 ))
    (( segid "    " and resid 9    and name HE3 ))
       2.200      .600      .600 peak   111 spectrum    2 weight   .10000E+01 volume   .22125E-02 ppm1      2.933 ppm2      7.240 CV     1
  ASSI {  112}
    (( segid "    " and resid 21   and name HB2 ))
    (  segid "    " and resid 21   and name HD% )
       2.200      .600      .600 peak   112 spectrum    2 weight   .10000E+01 volume   .24477E-02 ppm1      2.933 ppm2      6.721 CV     1
  ASSI {  113}
    (( segid "    " and resid 21   and name HB3 ))
    (( segid "    " and resid 9    and name HE3 ))
       2.700      .900      .900 peak   113 spectrum    2 weight   .10000E+01 volume   .71235E-03 ppm1      2.621 ppm2      7.240 CV     1
  ASSI {  114}
    (( segid "    " and resid 21   and name HB3 ))
    (  segid "    " and resid 21   and name HD% )
       2.100      .600      .600 peak   114 spectrum    2 weight   .10000E+01 volume   .29486E-02 ppm1      2.622 ppm2      6.721 CV     1
  ASSI {  115}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 9    and name HE3 ))
       3.800     1.800     1.800 peak   115 spectrum    2 weight   .10000E+01 volume   .93487E-04 ppm1      4.875 ppm2      7.241 CV     1
  ASSI {  116}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 29   and name HA  ))
       2.600      .900      .900 peak   116 spectrum    2 weight   .10000E+01 volume   .81981E-03 ppm1      4.875 ppm2      5.510 CV     1
  ASSI {  117}
    (( segid "    " and resid 22   and name HB  ))
    (  segid "    " and resid 20   and name HD% )
       3.400     1.400     1.400 peak   117 spectrum    2 weight   .10000E+01 volume   .18613E-03 ppm1      1.712 ppm2      6.691 CV     1
  ASSI {  118}
    (( segid "    " and resid 22   and name HB  ))
    (  segid "    " and resid 20   and name HE% )
       2.800     1.000     1.000 peak   118 spectrum    2 weight   .10000E+01 volume   .55252E-03 ppm1      1.711 ppm2      6.278 CV     1
  ASSI {  119}
    (( segid "    " and resid 22   and name HB  ))
    (( segid "    " and resid 24   and name HD2 ))
       3.600     1.700     1.700 peak   119 spectrum    2 weight   .10000E+01 volume   .11979E-03 ppm1      1.710 ppm2      7.031 CV     1
  ASSI {  120}
    (( segid "    " and resid 22   and name HB  ))
    (( segid "    " and resid 29   and name HA  ))
       3.600     1.600     1.600 peak   120 spectrum    2 weight   .10000E+01 volume   .12968E-03 ppm1      1.713 ppm2      5.510 CV     1
  ASSI {  121}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 12   and name HB2 ))
       3.000     1.100     1.100 peak   121 spectrum    2 weight   .10000E+01 volume   .38173E-03 ppm1       .694 ppm2      1.208 CV     1
  ASSI {  122}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 12   and name HD3 ))
       2.900     1.000     1.000 peak   122 spectrum    2 weight   .10000E+01 volume   .47657E-03 ppm1       .694 ppm2      1.477 CV     1
  OR {  122}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 12   and name HD2 ))
  ASSI {  123}
    (  segid "    " and resid 22   and name HG1%)
    (  segid "    " and resid 20   and name HD% )
       2.700      .900      .900 peak   123 spectrum    2 weight   .10000E+01 volume   .77456E-03 ppm1       .695 ppm2      6.691 CV     1
  ASSI {  124}
    (  segid "    " and resid 22   and name HG1%)
    (  segid "    " and resid 20   and name HE% )
       2.400      .700      .700 peak   124 spectrum    2 weight   .10000E+01 volume   .14213E-02 ppm1       .695 ppm2      6.278 CV     1
  ASSI {  125}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 21   and name HA  ))
       3.800     1.800     1.800 peak   125 spectrum    2 weight   .10000E+01 volume   .98739E-04 ppm1       .695 ppm2      5.267 CV     1
  ASSI {  126}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 24   and name HA  ))
       3.600     1.600     1.600 peak   126 spectrum    2 weight   .10000E+01 volume   .13147E-03 ppm1       .697 ppm2      4.277 CV     1
  ASSI {  128}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 24   and name HE1 ))
       3.200     1.300     1.300 peak   128 spectrum    2 weight   .10000E+01 volume   .25652E-03 ppm1       .695 ppm2      8.275 CV     1
  ASSI {  129}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 29   and name HA  ))
       3.200     1.300     1.300 peak   129 spectrum    2 weight   .10000E+01 volume   .25698E-03 ppm1       .695 ppm2      5.507 CV     1
  ASSI {  130}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 29   and name HB  ))
       3.500     1.500     1.500 peak   130 spectrum    2 weight   .10000E+01 volume   .15065E-03 ppm1       .697 ppm2      3.915 CV     1
  ASSI {  131}
    (  segid "    " and resid 22   and name HG1%)
    (  segid "    " and resid 29   and name HG2%)
       2.500      .800      .800 peak   131 spectrum    2 weight   .10000E+01 volume   .12901E-02 ppm1       .695 ppm2      1.029 CV     1
  ASSI {  132}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 10   and name HB3 ))
       2.900     1.100     1.100 peak   132 spectrum    2 weight   .10000E+01 volume   .43682E-03 ppm1       .556 ppm2      1.918 CV     1
  OR {  132}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 10   and name HB2 ))
  ASSI {  133}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 12   and name HB2 ))
       3.900     1.900     1.900 peak   133 spectrum    2 weight   .10000E+01 volume   .78860E-04 ppm1       .563 ppm2      1.208 CV     1
  ASSI {  134}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 12   and name HD3 ))
       3.100     1.200     1.200 peak   134 spectrum    2 weight   .10000E+01 volume   .29151E-03 ppm1       .562 ppm2      1.477 CV     1
  OR {  134}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 12   and name HD2 ))
  ASSI {  135}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 12   and name HE2 ))
       3.500     1.500     1.500 peak   135 spectrum    2 weight   .10000E+01 volume   .16334E-03 ppm1       .565 ppm2      2.917 CV     1
  ASSI {  136}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 12   and name HE3 ))
       3.200     1.300     1.300 peak   136 spectrum    2 weight   .10000E+01 volume   .26461E-03 ppm1       .565 ppm2      2.779 CV     1
  ASSI {  137}
    (  segid "    " and resid 22   and name HG2%)
    (  segid "    " and resid 20   and name HD% )
       3.300     1.300     1.300 peak   137 spectrum    2 weight   .10000E+01 volume   .22453E-03 ppm1       .556 ppm2      6.691 CV     1
  ASSI {  138}
    (  segid "    " and resid 22   and name HG2%)
    (  segid "    " and resid 20   and name HE% )
       2.900     1.000     1.000 peak   138 spectrum    2 weight   .10000E+01 volume   .48036E-03 ppm1       .556 ppm2      6.279 CV     1
  ASSI {  139}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 24   and name HA  ))
       3.400     1.400     1.400 peak   139 spectrum    2 weight   .10000E+01 volume   .19219E-03 ppm1       .553 ppm2      4.277 CV     1
  ASSI {  141}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 24   and name HE1 ))
       2.700      .900      .900 peak   141 spectrum    2 weight   .10000E+01 volume   .68641E-03 ppm1       .552 ppm2      8.275 CV     1
  ASSI {  142}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 29   and name HA  ))
       3.500     1.600     1.600 peak   142 spectrum    2 weight   .10000E+01 volume   .14451E-03 ppm1       .553 ppm2      5.507 CV     1
  ASSI {  143}
    (  segid "    " and resid 22   and name HG2%)
    (( segid "    " and resid 29   and name HB  ))
       3.700     1.700     1.700 peak   143 spectrum    2 weight   .10000E+01 volume   .10719E-03 ppm1       .555 ppm2      3.915 CV     1
  ASSI {  144}
    (  segid "    " and resid 22   and name HG2%)
    (  segid "    " and resid 29   and name HG2%)
       3.000     1.100     1.100 peak   144 spectrum    2 weight   .10000E+01 volume   .39351E-03 ppm1       .562 ppm2      1.029 CV     1
  ASSI {  145}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 9    and name HA  ))
       2.600      .900      .900 peak   145 spectrum    2 weight   .10000E+01 volume   .86669E-03 ppm1      3.940 ppm2      5.481 CV     1
  ASSI {  146}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 9    and name HE3 ))
       3.400     1.400     1.400 peak   146 spectrum    2 weight   .10000E+01 volume   .19902E-03 ppm1      3.945 ppm2      7.240 CV     1
  ASSI {  147}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 9    and name HZ3 ))
       3.300     1.300     1.300 peak   147 spectrum    2 weight   .10000E+01 volume   .22523E-03 ppm1      3.946 ppm2      6.708 CV     1
  ASSI {  148}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 9    and name HA  ))
       4.200     2.200     1.800 peak   148 spectrum    2 weight   .10000E+01 volume   .50969E-04 ppm1      2.360 ppm2      5.479 CV     1
  ASSI {  149}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 9    and name HA  ))
       3.900     1.900     1.900 peak   149 spectrum    2 weight   .10000E+01 volume   .85142E-04 ppm1      -.190 ppm2      5.478 CV     1
  ASSI {  150}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 9    and name HE3 ))
       3.600     1.600     1.600 peak   150 spectrum    2 weight   .10000E+01 volume   .13286E-03 ppm1      -.181 ppm2      7.240 CV     1
  ASSI {  151}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 9    and name HH2 ))
       3.600     1.600     1.600 peak   151 spectrum    2 weight   .10000E+01 volume   .12594E-03 ppm1      -.178 ppm2      6.999 CV     1
  ASSI {  152}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 9    and name HZ2 ))
       3.600     1.600     1.600 peak   152 spectrum    2 weight   .10000E+01 volume   .13068E-03 ppm1      -.179 ppm2      7.441 CV     1
  ASSI {  153}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 9    and name HZ3 ))
       3.600     1.600     1.600 peak   153 spectrum    2 weight   .10000E+01 volume   .13905E-03 ppm1      -.180 ppm2      6.711 CV     1
  ASSI {  154}
    (( segid "    " and resid 24   and name HA  ))
    (( segid "    " and resid 24   and name HD2 ))
       3.500     1.500     1.500 peak   154 spectrum    2 weight   .10000E+01 volume   .16708E-03 ppm1      4.277 ppm2      7.031 CV     1
  ASSI {  226}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 24   and name HA  ))
       3.200     1.200     1.200 peak   226 spectrum    2 weight   .10000E+01 volume   .28738E-03 ppm1      3.794 ppm2      4.276 CV     1
  ASSI {  156}
    (( segid "    " and resid 27   and name HD3 ))
    (( segid "    " and resid 24   and name HD2 ))
       2.600      .900      .900 peak   156 spectrum    2 weight   .10000E+01 volume   .87997E-03 ppm1      3.168 ppm2      7.031 CV     1
  OR {  156}
    (( segid "    " and resid 27   and name HD2 ))
    (( segid "    " and resid 24   and name HD2 ))
  ASSI {  157}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 9    and name HZ3 ))
       3.200     1.300     1.300 peak   157 spectrum    2 weight   .10000E+01 volume   .27656E-03 ppm1      5.506 ppm2      6.709 CV     1
  ASSI {  158}
    (( segid "    " and resid 29   and name HB  ))
    (  segid "    " and resid 20   and name HD% )
       2.800     1.000     1.000 peak   158 spectrum    2 weight   .10000E+01 volume   .59064E-03 ppm1      3.910 ppm2      6.691 CV     1
  ASSI {  159}
    (( segid "    " and resid 29   and name HB  ))
    (  segid "    " and resid 20   and name HE% )
       3.500     1.500     1.500 peak   159 spectrum    2 weight   .10000E+01 volume   .16157E-03 ppm1      3.912 ppm2      6.278 CV     1
  ASSI {  160}
    (  segid "    " and resid 29   and name HG2%)
    (  segid "    " and resid 20   and name HD% )
       2.500      .800      .800 peak   160 spectrum    2 weight   .10000E+01 volume   .13029E-02 ppm1      1.033 ppm2      6.691 CV     1
  ASSI {  161}
    (  segid "    " and resid 29   and name HG2%)
    (  segid "    " and resid 20   and name HE% )
       2.600      .800      .800 peak   161 spectrum    2 weight   .10000E+01 volume   .10159E-02 ppm1      1.032 ppm2      6.278 CV     1
  ASSI {  162}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 22   and name HA  ))
       2.700      .900      .900 peak   162 spectrum    2 weight   .10000E+01 volume   .76872E-03 ppm1      1.032 ppm2      4.877 CV     1
  ASSI {  163}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 30   and name HA  ))
       3.600     1.600     1.600 peak   163 spectrum    2 weight   .10000E+01 volume   .12762E-03 ppm1      1.032 ppm2      4.843 CV     1
  ASSI {  164}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 9    and name HH2 ))
       3.200     1.300     1.300 peak   164 spectrum    2 weight   .10000E+01 volume   .24950E-03 ppm1      2.393 ppm2      7.001 CV     1
  ASSI {  165}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 9    and name HZ2 ))
       3.700     1.700     1.700 peak   165 spectrum    2 weight   .10000E+01 volume   .11908E-03 ppm1      2.390 ppm2      7.437 CV     1
  ASSI {  166}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 9    and name HH2 ))
       3.100     1.200     1.200 peak   166 spectrum    2 weight   .10000E+01 volume   .31761E-03 ppm1      2.219 ppm2      6.999 CV     1
  ASSI {  167}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 9    and name HZ2 ))
       3.900     1.900     1.900 peak   167 spectrum    2 weight   .10000E+01 volume   .75547E-04 ppm1      2.221 ppm2      7.436 CV     1
  ASSI {  168}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 9    and name HZ3 ))
       2.800      .900      .900 peak   168 spectrum    2 weight   .10000E+01 volume   .65082E-03 ppm1      2.220 ppm2      6.712 CV     1
  ASSI {  169}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 21   and name HD% )
       2.800     1.000     1.000 peak   169 spectrum    2 weight   .10000E+01 volume   .60254E-03 ppm1      4.889 ppm2      6.719 CV     1
  ASSI {  170}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HD1 ))
       3.400     1.500     1.500 peak   170 spectrum    2 weight   .10000E+01 volume   .17993E-03 ppm1      4.888 ppm2      7.365 CV     1
  ASSI {  171}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HE3 ))
       2.800     1.000     1.000 peak   171 spectrum    2 weight   .10000E+01 volume   .56625E-03 ppm1      4.898 ppm2      8.005 CV     1
  ASSI {  172}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HD1 ))
       2.600      .900      .900 peak   172 spectrum    2 weight   .10000E+01 volume   .83487E-03 ppm1      3.612 ppm2      7.365 CV     1
  ASSI {  173}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HE3 ))
       2.900     1.000     1.000 peak   173 spectrum    2 weight   .10000E+01 volume   .51065E-03 ppm1      3.612 ppm2      8.005 CV     1
  ASSI {  174}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HD1 ))
       2.500      .800      .800 peak   174 spectrum    2 weight   .10000E+01 volume   .11881E-02 ppm1      3.128 ppm2      7.365 CV     1
  ASSI {  175}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HE3 ))
       3.200     1.200     1.200 peak   175 spectrum    2 weight   .10000E+01 volume   .28245E-03 ppm1      3.129 ppm2      8.005 CV     1
  ASSI {  176}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 9    and name HE3 ))
       2.800     1.000     1.000 peak   176 spectrum    2 weight   .10000E+01 volume   .56376E-03 ppm1      2.592 ppm2      7.240 CV     1
  ASSI {  177}
    (( segid "    " and resid 33   and name HA  ))
    (  segid "    " and resid 21   and name HD% )
       2.200      .600      .600 peak   177 spectrum    2 weight   .10000E+01 volume   .21785E-02 ppm1      2.593 ppm2      6.719 CV     1
  ASSI {  178}
    (( segid "    " and resid 33   and name HB2 ))
    (  segid "    " and resid 21   and name HD% )
       2.700      .900      .900 peak   178 spectrum    2 weight   .10000E+01 volume   .75248E-03 ppm1      1.348 ppm2      6.721 CV     1
  OR {  178}
    (( segid "    " and resid 33   and name HB3 ))
    (  segid "    " and resid 21   and name HD% )
  ASSI {  179}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 34   and name HD2 ))
       3.400     1.400     1.400 peak   179 spectrum    2 weight   .10000E+01 volume   .18602E-03 ppm1      1.347 ppm2      2.422 CV     1
  OR {  179}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 34   and name HD2 ))
  ASSI {  180}
    (( segid "    " and resid 33   and name HB3 ))
    (( segid "    " and resid 34   and name HD3 ))
       3.100     1.200     1.200 peak   180 spectrum    2 weight   .10000E+01 volume   .29415E-03 ppm1      1.347 ppm2      2.301 CV     1
  OR {  180}
    (( segid "    " and resid 33   and name HB2 ))
    (( segid "    " and resid 34   and name HD3 ))
  ASSI {  181}
    (( segid "    " and resid 33   and name HD2 ))
    (  segid "    " and resid 21   and name HD% )
       3.200     1.300     1.300 peak   181 spectrum    2 weight   .10000E+01 volume   .26779E-03 ppm1      3.017 ppm2      6.716 CV     1
  OR {  181}
    (( segid "    " and resid 33   and name HD3 ))
    (  segid "    " and resid 21   and name HD% )
  ASSI {  182}
    (( segid "    " and resid 33   and name HG2 ))
    (  segid "    " and resid 21   and name HD% )
       3.200     1.300     1.300 peak   182 spectrum    2 weight   .10000E+01 volume   .28043E-03 ppm1      1.208 ppm2      6.721 CV     1
  ASSI {  183}
    (( segid "    " and resid 33   and name HG2 ))
    (( segid "    " and resid 34   and name HD2 ))
       3.600     1.600     1.600 peak   183 spectrum    2 weight   .10000E+01 volume   .13270E-03 ppm1      1.207 ppm2      2.422 CV     1
  ASSI {  184}
    (( segid "    " and resid 33   and name HG2 ))
    (( segid "    " and resid 34   and name HD3 ))
       3.200     1.300     1.300 peak   184 spectrum    2 weight   .10000E+01 volume   .25900E-03 ppm1      1.207 ppm2      2.299 CV     1
  ASSI {  185}
    (( segid "    " and resid 33   and name HG3 ))
    (  segid "    " and resid 21   and name HD% )
       3.000     1.100     1.100 peak   185 spectrum    2 weight   .10000E+01 volume   .39255E-03 ppm1       .929 ppm2      6.721 CV     1
  ASSI {  186}
    (( segid "    " and resid 33   and name HG3 ))
    (( segid "    " and resid 34   and name HD2 ))
       3.400     1.400     1.400 peak   186 spectrum    2 weight   .10000E+01 volume   .18659E-03 ppm1       .930 ppm2      2.422 CV     1
  ASSI {  187}
    (( segid "    " and resid 33   and name HG3 ))
    (( segid "    " and resid 34   and name HD3 ))
       3.100     1.200     1.200 peak   187 spectrum    2 weight   .10000E+01 volume   .33572E-03 ppm1       .930 ppm2      2.299 CV     1
  ASSI {  188}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 6    and name HD2 ))
       3.400     1.400     1.400 peak   188 spectrum    2 weight   .10000E+01 volume   .18225E-03 ppm1       .799 ppm2      3.430 CV     1
  ASSI {  189}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 6    and name HD3 ))
       3.300     1.400     1.400 peak   189 spectrum    2 weight   .10000E+01 volume   .20080E-03 ppm1       .799 ppm2      2.782 CV     1
  ASSI {  190}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 9    and name HH2 ))
       3.700     1.700     1.700 peak   190 spectrum    2 weight   .10000E+01 volume   .10953E-03 ppm1       .783 ppm2      7.003 CV     1
  ASSI {  191}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 9    and name HZ2 ))
       3.500     1.500     1.500 peak   191 spectrum    2 weight   .10000E+01 volume   .15738E-03 ppm1       .787 ppm2      7.441 CV     1
  ASSI {  192}
    (( segid "    " and resid 34   and name HD2 ))
    (( segid "    " and resid 9    and name HE3 ))
       3.400     1.400     1.400 peak   192 spectrum    2 weight   .10000E+01 volume   .19415E-03 ppm1      2.411 ppm2      7.240 CV     1
  ASSI {  193}
    (( segid "    " and resid 34   and name HD2 ))
    (( segid "    " and resid 21   and name HB2 ))
       3.200     1.200     1.200 peak   193 spectrum    2 weight   .10000E+01 volume   .28314E-03 ppm1      2.415 ppm2      2.928 CV     1
  ASSI {  194}
    (( segid "    " and resid 34   and name HD2 ))
    (  segid "    " and resid 21   and name HD% )
       2.600      .800      .800 peak   194 spectrum    2 weight   .10000E+01 volume   .99292E-03 ppm1      2.414 ppm2      6.719 CV     1
  ASSI {  195}
    (( segid "    " and resid 34   and name HD3 ))
    (( segid "    " and resid 9    and name HE3 ))
       3.600     1.700     1.700 peak   195 spectrum    2 weight   .10000E+01 volume   .12169E-03 ppm1      2.299 ppm2      7.240 CV     1
  ASSI {  196}
    (( segid "    " and resid 34   and name HD3 ))
    (( segid "    " and resid 21   and name HB2 ))
       3.700     1.700     1.700 peak   196 spectrum    2 weight   .10000E+01 volume   .10511E-03 ppm1      2.299 ppm2      2.927 CV     1
  ASSI {  197}
    (( segid "    " and resid 34   and name HD3 ))
    (  segid "    " and resid 21   and name HD% )
       2.900     1.100     1.100 peak   197 spectrum    2 weight   .10000E+01 volume   .43386E-03 ppm1      2.298 ppm2      6.719 CV     1
  ASSI {  198}
    (( segid "    " and resid 18   and name HG3 ))
    (( segid "    " and resid 31   and name HE3 ))
       3.800     1.800     1.800 peak   198 spectrum    2 weight   .10000E+01 volume   .88432E-04 ppm1      2.301 ppm2      8.007 CV     1
  OR {  198}
    (( segid "    " and resid 18   and name HG2 ))
    (( segid "    " and resid 31   and name HE3 ))
  ASSI {  199}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 6    and name HD2 ))
       3.300     1.400     1.400 peak   199 spectrum    2 weight   .10000E+01 volume   .20110E-03 ppm1       .588 ppm2      3.430 CV     1
  ASSI {  200}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 6    and name HD3 ))
       3.300     1.300     1.300 peak   200 spectrum    2 weight   .10000E+01 volume   .23275E-03 ppm1       .588 ppm2      2.782 CV     1
  ASSI {  201}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 9    and name HD1 ))
       3.900     1.900     1.900 peak   201 spectrum    2 weight   .10000E+01 volume   .78504E-04 ppm1       .581 ppm2      6.971 CV     1
  ASSI {  202}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 9    and name HE3 ))
       3.700     1.800     1.800 peak   202 spectrum    2 weight   .10000E+01 volume   .10158E-03 ppm1       .579 ppm2      7.242 CV     1
  ASSI {  203}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 9    and name HZ3 ))
       3.700     1.700     1.700 peak   203 spectrum    2 weight   .10000E+01 volume   .11795E-03 ppm1       .573 ppm2      6.711 CV     1
  ASSI {  204}
    (( segid "    " and resid 34   and name HG2 ))
    (( segid "    " and resid 33   and name HA  ))
       3.700     1.700     1.700 peak   204 spectrum    2 weight   .10000E+01 volume   .10431E-03 ppm1       .586 ppm2      2.624 CV     1
  ASSI {  205}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 9    and name HD1 ))
       3.900     1.900     1.900 peak   205 spectrum    2 weight   .10000E+01 volume   .78335E-04 ppm1      -.038 ppm2      6.968 CV     1
  ASSI {  206}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 9    and name HE3 ))
       3.400     1.500     1.500 peak   206 spectrum    2 weight   .10000E+01 volume   .17944E-03 ppm1      -.048 ppm2      7.240 CV     1
  ASSI {  207}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 9    and name HZ2 ))
       4.100     2.100     1.900 peak   207 spectrum    2 weight   .10000E+01 volume   .61846E-04 ppm1      -.050 ppm2      7.439 CV     1
  ASSI {  208}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 9    and name HZ3 ))
       3.500     1.500     1.500 peak   208 spectrum    2 weight   .10000E+01 volume   .16352E-03 ppm1      -.048 ppm2      6.711 CV     1
  ASSI {  209}
    (( segid "    " and resid 34   and name HG3 ))
    (( segid "    " and resid 33   and name HA  ))
       3.700     1.700     1.700 peak   209 spectrum    2 weight   .10000E+01 volume   .10838E-03 ppm1      -.049 ppm2      2.624 CV     1

 ASSI {  304}
    (( segid "    " and resid 14   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
       2.700      .900      .900 peak   304 spectrum    1 weight   .10000E+01 volume   .22322E-02 ppm1      4.918 ppm2      9.121 CV     1
  OR {  304}
    (( segid "    " and resid 19   and name HA  ))
    (( segid "    " and resid 14   and name HN  ))
  ASSI {  306}
    (  segid "    " and resid 20   and name HD% )
    (( segid "    " and resid 21   and name HN  ))
       2.300      .700      .700 peak   306 spectrum    1 weight   .10000E+01 volume   .58090E-02 ppm1      6.697 ppm2      8.588 CV     1
  OR {  306}
    (  segid "    " and resid 21   and name HD% )
    (( segid "    " and resid 21   and name HN  ))
  ASSI {  308}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       2.700      .900      .900 peak   308 spectrum    1 weight   .10000E+01 volume   .24409E-02 ppm1      4.885 ppm2      7.729 CV     1
  OR {  308}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  310}
    (( segid "    " and resid 9    and name HZ3 ))
    (( segid "    " and resid 9    and name HE3 ))
       2.200      .600      .600 peak   310 spectrum    1 weight   .10000E+01 volume   .69720E-02 ppm1      6.683 ppm2      7.233 CV     1
  OR {  310}
    (  segid "    " and resid 21   and name HD% )
    (( segid "    " and resid 9    and name HE3 ))
  ASSI {  213}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 24   and name HE1 ))
       3.400     1.500     1.500 peak   213 spectrum    2 weight   .10000E+01 volume   .17077E-03 ppm1      1.918 ppm2      8.275 CV     1
  OR {  213}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 24   and name HE1 ))
  OR {  213}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 24   and name HE1 ))
  ASSI {  215}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 24   and name HD2 ))
       2.500      .800      .800 peak   215 spectrum    2 weight   .10000E+01 volume   .10638E-02 ppm1      1.919 ppm2      7.030 CV     1
  OR {  215}
    (( segid "    " and resid 10   and name HB3 ))
    (( segid "    " and resid 24   and name HD2 ))
  OR {  215}
    (( segid "    " and resid 10   and name HB2 ))
    (( segid "    " and resid 24   and name HD2 ))
  ASSI {  217}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 6    and name HD3 ))
       2.900     1.000     1.000 peak   217 spectrum    2 weight   .10000E+01 volume   .50484E-03 ppm1       .692 ppm2      2.779 CV     1
  OR {  217}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 12   and name HE3 ))
  ASSI {  219}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 9    and name HB3 ))
       3.100     1.200     1.200 peak   219 spectrum    2 weight   .10000E+01 volume   .32976E-03 ppm1       .695 ppm2      2.920 CV     1
  OR {  219}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 12   and name HE2 ))
  ASSI {  221}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 11   and name HB3 ))
       3.000     1.100     1.100 peak   221 spectrum    2 weight   .10000E+01 volume   .39558E-03 ppm1       .693 ppm2      1.918 CV     1
  OR {  221}
    (  segid "    " and resid 5    and name HD2%)
    (( segid "    " and resid 11   and name HB2 ))
  OR {  221}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 10   and name HB3 ))
  OR {  221}
    (  segid "    " and resid 22   and name HG1%)
    (( segid "    " and resid 10   and name HB2 ))
  ASSI {  223}
    (( segid "    " and resid 34   and name HD3 ))
    (( segid "    " and resid 33   and name HA  ))
       2.600      .900      .900 peak   223 spectrum    2 weight   .10000E+01 volume   .84147E-03 ppm1      2.299 ppm2      2.614 CV     1
  OR {  223}
    (( segid "    " and resid 34   and name HD3 ))
    (( segid "    " and resid 21   and name HB3 ))
  ASSI {  225}
    (( segid "    " and resid 34   and name HD2 ))
    (( segid "    " and resid 33   and name HA  ))
       2.500      .800      .800 peak   225 spectrum    2 weight   .10000E+01 volume   .12485E-02 ppm1      2.414 ppm2      2.614 CV     1
  OR {  225}
    (( segid "    " and resid 34   and name HD2 ))
    (( segid "    " and resid 21   and name HB3 ))


!PHI (infit)
assign(resid 8 and name C)(resid 9 and name N)
      (resid 9 and name CA)(resid 9 and name C)
      1.00 -92.00 30.00 2
assign(resid 9 and name C)(resid 10 and name N)
      (resid 10 and name CA)(resid 10 and name C)
      1.00 -105.00 30.00 2
assign(resid 10 and name C)(resid 11 and name N)
      (resid 11 and name CA)(resid 11 and name C)
      1.00 -99.00 30.00 2
assign(resid 11 and name C)(resid 12 and name N)
      (resid 12 and name CA)(resid 12 and name C)
      1.00 -102.00 30.00 2
assign(resid 12 and name C)(resid 13 and name N)
      (resid 13 and name CA)(resid 13 and name C)
      1.00 -110.00 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 -91.00 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 -98.00 30.00 2
assign(resid 18 and name C)(resid 19 and name N)
      (resid 19 and name CA)(resid 19 and name C)
      1.00 -83.00 30.00 2
assign(resid 19 and name C)(resid 20 and name N)
      (resid 20 and name CA)(resid 20 and name C)
      1.00 -85.00 30.00 2
assign(resid 20 and name C)(resid 21 and name N)
      (resid 21 and name CA)(resid 21 and name C)
      1.00 -120.00 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 -120.00 30.00 2
assign(resid 22 and name C)(resid 23 and name N)
      (resid 23 and name CA)(resid 23 and name C)
      1.00 -98.00 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 -75.00 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 -80.00 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 -84.00 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 60.00 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 -84.00 30.00 2
assign(resid 28 and name C)(resid 29 and name N)
      (resid 29 and name CA)(resid 29 and name C)
      1.00 -102.00 30.00 2
assign(resid 29 and name C)(resid 30 and name N)
      (resid 30 and name CA)(resid 30 and name C)
      1.00 -74.00 30.00 2
assign(resid 30 and name C)(resid 31 and name N)
      (resid 31 and name CA)(resid 31 and name C)
      1.00 -91.00 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 -91.00 30.00 2

!CHI1
assign(resid 9 and name N)(resid 9 and name CA)
      (resid 9 and name CB)(resid 9 and name CG)
      1.00 -60.00 60.00 2 
assign(resid 12 and name N)(resid 12 and name CA)
      (resid 12 and name CB)(resid 12 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 21 and name N)(resid 21 and name CA)
      (resid 21 and name CB)(resid 21 and name CG)
      1.00 -60.00 60.00 2
assign(resid 22 and name N)(resid 22 and name CA)
      (resid 22 and name CB)(resid 22 and name CG1)
      1.00 60.00 60.00 2
assign(resid 23 and name N)(resid 23 and name CA)
      (resid 23 and name CB)(resid 23 and name CG)
      1.00 180.00 60.00 2 
assign(resid 25 and name N)(resid 25 and name CA)
      (resid 25 and name CB)(resid 25 and name CG)
      1.00 180.00 60.00 2
assign(resid 30 and name N)(resid 30 and name CA)
      (resid 30 and name CB)(resid 30 and name CG)
      1.00 60.00 60.00 2
assign(resid 31 and name N)(resid 31 and name CA)
      (resid 31 and name CB)(resid 31 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  -6.841  -7.626 -19.311
    2   2H    GLY   1          2H        GLY   1  -5.915  -8.688 -18.370
    3   3H    GLY   1          3H        GLY   1  -5.486  -7.049 -18.478
    4   1HA   GLY   1          2HA       GLY   1  -6.619  -7.720 -16.362
    5   2HA   GLY   1          1HA       GLY   1  -7.323  -6.355 -17.221
    6    H    SER   2           H        SER   2  -7.563  -9.856 -17.827
    7    HA   SER   2           HA       SER   2 -10.432  -9.578 -18.075
    8   1HB   SER   2          2HB       SER   2  -9.424 -12.302 -18.259
    9   2HB   SER   2          1HB       SER   2 -10.258 -11.328 -19.472
   10    HG   SER   2           HG       SER   2  -8.087 -11.911 -20.068
   11    HA   PRO   3           HA       PRO   3 -10.505 -12.275 -14.209
   12   1HB   PRO   3          2HB       PRO   3  -8.341 -13.527 -13.249
   13   2HB   PRO   3          1HB       PRO   3  -9.246 -14.165 -14.624
   14   1HG   PRO   3          2HG       PRO   3  -6.624 -12.783 -14.564
   15   2HG   PRO   3          1HG       PRO   3  -7.219 -14.024 -15.677
   16   1HD   PRO   3          2HD       PRO   3  -7.134 -11.236 -16.132
   17   2HD   PRO   3          1HD       PRO   3  -7.933 -12.456 -17.138
   18    HA   PRO   4           HA       PRO   4  -9.282  -9.101 -11.365
   19   1HB   PRO   4          2HB       PRO   4 -10.378 -10.709  -9.196
   20   2HB   PRO   4          1HB       PRO   4 -10.989  -9.200  -9.879
   21   1HG   PRO   4          2HG       PRO   4 -12.252 -11.577 -10.207
   22   2HG   PRO   4          1HG       PRO   4 -12.316 -10.278 -11.412
   23   1HD   PRO   4          2HD       PRO   4 -10.647 -12.762 -11.387
   24   2HD   PRO   4          1HD       PRO   4 -11.499 -11.988 -12.742
   25    H    LEU   5           H        LEU   5  -7.907  -8.723  -9.525
   26    HA   LEU   5           HA       LEU   5  -5.687 -10.414  -9.355
   27   1HB   LEU   5          2HB       LEU   5  -4.786  -8.664  -8.316
   28   2HB   LEU   5          1HB       LEU   5  -6.213  -7.829  -8.847
   29    HG   LEU   5           HG       LEU   5  -6.087  -9.095  -6.130
   30   1HD1  LEU   5          1HD1      LEU   5  -5.105  -6.378  -6.979
   31   2HD1  LEU   5          2HD1      LEU   5  -5.327  -6.898  -5.308
   32   3HD1  LEU   5          3HD1      LEU   5  -4.126  -7.692  -6.326
   33   1HD2  LEU   5          1HD2      LEU   5  -8.201  -8.338  -6.193
   34   2HD2  LEU   5          2HD2      LEU   5  -7.478  -6.738  -6.006
   35   3HD2  LEU   5          3HD2      LEU   5  -7.895  -7.336  -7.613
   36    HA   PRO   6           HA       PRO   6  -6.517 -13.676  -6.737
   37   1HB   PRO   6          2HB       PRO   6  -4.448 -12.713  -4.814
   38   2HB   PRO   6          1HB       PRO   6  -4.642 -14.303  -5.562
   39   1HG   PRO   6          2HG       PRO   6  -2.790 -12.633  -6.460
   40   2HG   PRO   6          1HG       PRO   6  -3.752 -13.600  -7.596
   41   1HD   PRO   6          2HD       PRO   6  -3.973 -10.702  -6.908
   42   2HD   PRO   6          1HD       PRO   6  -4.203 -11.513  -8.467
   43    HA   PRO   7           HA       PRO   7  -9.470 -12.466  -3.707
   44   1HB   PRO   7          2HB       PRO   7  -9.055 -15.203  -2.637
   45   2HB   PRO   7          1HB       PRO   7 -10.540 -14.427  -3.198
   46   1HG   PRO   7          2HG       PRO   7  -9.352 -16.296  -4.673
   47   2HG   PRO   7          1HG       PRO   7 -10.080 -14.867  -5.434
   48   1HD   PRO   7          2HD       PRO   7  -7.196 -15.441  -4.855
   49   2HD   PRO   7          1HD       PRO   7  -7.926 -14.711  -6.299
   50    H    GLY   8           H        GLY   8  -9.254 -11.419  -1.844
   51   1HA   GLY   8          1HA       GLY   8  -8.539 -11.401   0.481
   52   2HA   GLY   8          2HA       GLY   8  -7.079 -12.247  -0.027
   53    H    TRP   9           H        TRP   9  -7.205 -10.378  -2.482
   54    HA   TRP   9           HA       TRP   9  -5.620  -8.266  -1.275
   55   1HB   TRP   9          2HB       TRP   9  -6.222  -9.022  -4.146
   56   2HB   TRP   9          1HB       TRP   9  -5.349  -7.558  -3.708
   57    HD1  TRP   9           HD       TRP   9  -4.951 -11.369  -3.751
   58    HE1  TRP   9           1HE      TRP   9  -2.443 -11.929  -3.503
   59    HE3  TRP   9           3HE      TRP   9  -3.189  -6.685  -2.752
   60    HZ2  TRP   9           2HZ      TRP   9  -0.040 -10.548  -2.929
   61    HZ3  TRP   9           3HZ      TRP   9  -0.783  -6.390  -2.357
   62    HH2  TRP   9           HH       TRP   9   0.764  -8.277  -2.443
   63    H    GLU  10           H        GLU  10  -6.395  -6.322  -0.768
   64    HA   GLU  10           HA       GLU  10  -9.105  -5.652  -1.711
   65   1HB   GLU  10          2HB       GLU  10  -8.958  -6.232   0.673
   66   2HB   GLU  10          1HB       GLU  10  -7.756  -4.975   0.910
   67   1HG   GLU  10          2HG       GLU  10  -9.648  -3.427  -0.035
   68   2HG   GLU  10          1HG       GLU  10 -10.686  -4.751   0.490
   69    H    GLU  11           H        GLU  11  -9.407  -3.755  -2.717
   70    HA   GLU  11           HA       GLU  11  -7.142  -2.095  -3.316
   71   1HB   GLU  11          2HB       GLU  11  -9.431  -2.665  -4.649
   72   2HB   GLU  11          1HB       GLU  11  -9.855  -1.109  -3.950
   73   1HG   GLU  11          2HG       GLU  11  -8.101  -0.011  -5.067
   74   2HG   GLU  11          1HG       GLU  11  -7.326  -1.533  -5.504
   75    H    LYS  12           H        LYS  12  -6.382  -0.721  -1.855
   76    HA   LYS  12           HA       LYS  12  -8.299   0.834  -0.238
   77   1HB   LYS  12          2HB       LYS  12  -6.355  -1.079   0.642
   78   2HB   LYS  12          1HB       LYS  12  -5.891   0.515   1.223
   79   1HG   LYS  12          2HG       LYS  12  -8.194   0.755   2.150
   80   2HG   LYS  12          1HG       LYS  12  -8.479  -0.932   1.712
   81   1HD   LYS  12          2HD       LYS  12  -6.614  -1.620   3.129
   82   2HD   LYS  12          1HD       LYS  12  -6.314   0.065   3.562
   83   1HE   LYS  12          2HE       LYS  12  -7.614  -0.480   5.333
   84   2HE   LYS  12          1HE       LYS  12  -8.894  -0.082   4.193
   85   1HZ   LYS  12          1HZ       LYS  12  -9.231  -2.362   3.702
   86   2HZ   LYS  12          2HZ       LYS  12  -9.211  -2.210   5.398
   87   3HZ   LYS  12          3HZ       LYS  12  -7.858  -2.827   4.592
   88    H    VAL  13           H        VAL  13  -8.059   2.939  -0.669
   89    HA   VAL  13           HA       VAL  13  -5.578   3.941  -1.765
   90    HB   VAL  13           HB       VAL  13  -8.161   4.730  -2.121
   91   1HG1  VAL  13          1HG1      VAL  13  -8.124   5.707   0.206
   92   2HG1  VAL  13          2HG1      VAL  13  -6.979   6.894  -0.421
   93   3HG1  VAL  13          3HG1      VAL  13  -8.605   6.801  -1.092
   94   1HG2  VAL  13          1HG2      VAL  13  -6.923   6.992  -2.840
   95   2HG2  VAL  13          2HG2      VAL  13  -5.528   5.928  -2.660
   96   3HG2  VAL  13          3HG2      VAL  13  -6.830   5.494  -3.766
   97    H    ASP  14           H        ASP  14  -4.172   5.398  -0.746
   98    HA   ASP  14           HA       ASP  14  -4.250   5.281   2.167
   99   1HB   ASP  14          2HB       ASP  14  -1.984   5.509   2.153
  100   2HB   ASP  14          1HB       ASP  14  -2.173   4.912   0.510
  101    H    ASN  15           H        ASN  15  -3.137   7.445   3.113
  102    HA   ASN  15           HA       ASN  15  -5.202   9.357   3.030
  103   1HB   ASN  15          2HB       ASN  15  -3.493  10.770   4.352
  104   2HB   ASN  15          1HB       ASN  15  -4.048   9.258   5.063
  105   1HD2  ASN  15          1HD2      ASN  15  -1.383  11.094   4.251
  106   2HD2  ASN  15          2HD2      ASN  15  -0.170   9.874   4.417
  107    H    LEU  16           H        LEU  16  -2.134   9.149   1.337
  108    HA   LEU  16           HA       LEU  16  -2.212  11.874   0.418
  109   1HB   LEU  16          2HB       LEU  16  -0.390   9.643   0.274
  110   2HB   LEU  16          1HB       LEU  16  -0.580  10.376  -1.306
  111    HG   LEU  16           HG       LEU  16   1.241  11.507  -0.421
  112   1HD1  LEU  16          1HD1      LEU  16  -0.050  13.694   0.635
  113   2HD1  LEU  16          2HD1      LEU  16   0.278  13.406  -1.072
  114   3HD1  LEU  16          3HD1      LEU  16  -1.281  12.953  -0.386
  115   1HD2  LEU  16          1HD2      LEU  16  -0.198  11.793   2.210
  116   2HD2  LEU  16          2HD2      LEU  16   1.003  10.552   1.852
  117   3HD2  LEU  16          3HD2      LEU  16   1.465  12.253   1.851
  118    H    GLY  17           H        GLY  17  -3.059   8.714  -0.932
  119   1HA   GLY  17          1HA       GLY  17  -5.242   8.955  -2.213
  120   2HA   GLY  17          2HA       GLY  17  -4.373  10.151  -3.158
  121    H    ARG  18           H        ARG  18  -2.720   7.288  -2.061
  122    HA   ARG  18           HA       ARG  18  -2.689   6.346  -4.846
  123   1HB   ARG  18          2HB       ARG  18  -0.825   5.286  -2.742
  124   2HB   ARG  18          1HB       ARG  18  -0.590   5.395  -4.478
  125   1HG   ARG  18          2HG       ARG  18   0.024   7.607  -4.403
  126   2HG   ARG  18          1HG       ARG  18  -0.864   7.901  -2.907
  127   1HD   ARG  18          2HD       ARG  18   1.329   5.969  -2.671
  128   2HD   ARG  18          1HD       ARG  18   1.828   7.615  -3.068
  129    HE   ARG  18           HE       ARG  18  -0.048   7.289  -0.860
  130   1HH1  ARG  18          2HH1      ARG  18   3.245   7.864  -1.895
  131   2HH1  ARG  18          1HH1      ARG  18   3.759   8.470  -0.351
  132   1HH2  ARG  18          2HH2      ARG  18   0.615   8.038   1.171
  133   2HH2  ARG  18          1HH2      ARG  18   2.265   8.555   1.402
  134    H    THR  19           H        THR  19  -4.255   4.963  -5.182
  135    HA   THR  19           HA       THR  19  -5.398   3.282  -3.198
  136    HB   THR  19           HB       THR  19  -5.744   2.502  -6.034
  137    HG1  THR  19           1HG      THR  19  -5.549   4.795  -6.228
  138   1HG2  THR  19          1HG2      THR  19  -7.809   3.338  -4.014
  139   2HG2  THR  19          2HG2      THR  19  -7.085   1.729  -4.016
  140   3HG2  THR  19          3HG2      THR  19  -8.003   2.284  -5.415
  141    H    TYR  20           H        TYR  20  -3.839   1.971  -2.300
  142    HA   TYR  20           HA       TYR  20  -2.241   0.272  -4.040
  143   1HB   TYR  20          2HB       TYR  20  -1.073  -0.399  -1.983
  144   2HB   TYR  20          1HB       TYR  20  -1.093   1.347  -2.177
  145    HD1  TYR  20           1HD      TYR  20  -2.130   2.755  -0.539
  146    HD2  TYR  20           2HD      TYR  20  -2.538  -1.475  -0.280
  147    HE1  TYR  20           1HE      TYR  20  -3.035   2.987   1.732
  148    HE2  TYR  20           2HE      TYR  20  -3.453  -1.244   1.988
  149    HH   TYR  20           HH       TYR  20  -3.214   1.571   3.797
  150    H    TYR  21           H        TYR  21  -1.962  -2.056  -2.984
  151    HA   TYR  21           HA       TYR  21  -4.686  -3.104  -2.599
  152   1HB   TYR  21          2HB       TYR  21  -2.348  -4.279  -4.113
  153   2HB   TYR  21          1HB       TYR  21  -3.771  -5.219  -3.675
  154    HD1  TYR  21           1HD      TYR  21  -6.036  -4.401  -4.527
  155    HD2  TYR  21           2HD      TYR  21  -2.333  -2.985  -6.065
  156    HE1  TYR  21           1HE      TYR  21  -7.188  -3.594  -6.540
  157    HE2  TYR  21           2HE      TYR  21  -3.475  -2.167  -8.082
  158    HH   TYR  21           HH       TYR  21  -6.929  -2.052  -8.316
  159    H    VAL  22           H        VAL  22  -4.955  -3.734  -0.584
  160    HA   VAL  22           HA       VAL  22  -2.637  -4.652   0.931
  161    HB   VAL  22           HB       VAL  22  -3.868  -3.041   2.156
  162   1HG1  VAL  22          1HG1      VAL  22  -6.048  -2.676   1.965
  163   2HG1  VAL  22          2HG1      VAL  22  -6.129  -4.036   0.842
  164   3HG1  VAL  22          3HG1      VAL  22  -6.410  -4.296   2.562
  165   1HG2  VAL  22          1HG2      VAL  22  -3.544  -5.670   3.097
  166   2HG2  VAL  22          2HG2      VAL  22  -3.600  -4.178   4.038
  167   3HG2  VAL  22          3HG2      VAL  22  -5.082  -5.086   3.734
  168    H    ASN  23           H        ASN  23  -2.190  -6.698   0.593
  169    HA   ASN  23           HA       ASN  23  -4.089  -8.748   0.134
  170   1HB   ASN  23          2HB       ASN  23  -1.790  -9.056  -0.556
  171   2HB   ASN  23          1HB       ASN  23  -1.222  -8.842   1.097
  172   1HD2  ASN  23          1HD2      ASN  23  -2.970 -10.968  -1.074
  173   2HD2  ASN  23          2HD2      ASN  23  -2.756 -12.402  -0.130
  174    H    HIS  24           H        HIS  24  -5.406  -9.735   1.587
  175    HA   HIS  24           HA       HIS  24  -5.379  -8.836   4.299
  176   1HB   HIS  24          2HB       HIS  24  -7.047 -10.840   2.805
  177   2HB   HIS  24          1HB       HIS  24  -7.226 -10.606   4.538
  178    HD1  HIS  24           1HD      HIS  24  -9.692 -10.014   3.213
  179    HD2  HIS  24           2HD      HIS  24  -6.655  -7.162   3.307
  180    HE1  HIS  24           1HE      HIS  24 -10.817  -7.798   2.801
  181    HE2  HIS  24           2HE      HIS  24  -8.980  -6.076   2.952
  182    H    ASN  25           H        ASN  25  -3.996 -11.545   2.691
  183    HA   ASN  25           HA       ASN  25  -4.015 -13.358   4.880
  184   1HB   ASN  25          2HB       ASN  25  -3.239 -13.357   2.126
  185   2HB   ASN  25          1HB       ASN  25  -1.905 -13.988   3.086
  186   1HD2  ASN  25          1HD2      ASN  25  -4.789 -14.684   1.590
  187   2HD2  ASN  25          2HD2      ASN  25  -5.116 -16.216   2.329
  188    H    ASN  26           H        ASN  26  -1.426 -11.402   3.400
  189    HA   ASN  26           HA       ASN  26   0.200 -11.820   5.832
  190   1HB   ASN  26          2HB       ASN  26   1.198 -12.771   3.821
  191   2HB   ASN  26          1HB       ASN  26   1.047 -11.232   2.986
  192   1HD2  ASN  26          1HD2      ASN  26   2.444 -12.558   5.975
  193   2HD2  ASN  26          2HD2      ASN  26   3.921 -11.655   5.879
  194    H    ARG  27           H        ARG  27  -1.613  -9.560   4.225
  195    HA   ARG  27           HA       ARG  27  -1.940  -7.345   4.347
  196   1HB   ARG  27          2HB       ARG  27  -0.124  -7.270   6.752
  197   2HB   ARG  27          1HB       ARG  27  -1.424  -6.159   6.332
  198   1HG   ARG  27          2HG       ARG  27  -1.701  -9.013   7.231
  199   2HG   ARG  27          1HG       ARG  27  -2.164  -7.559   8.116
  200   1HD   ARG  27          2HD       ARG  27  -3.383  -7.713   5.479
  201   2HD   ARG  27          1HD       ARG  27  -3.803  -9.084   6.502
  202    HE   ARG  27           HE       ARG  27  -4.399  -6.264   7.045
  203   1HH1  ARG  27          2HH1      ARG  27  -4.707  -9.640   7.932
  204   2HH1  ARG  27          1HH1      ARG  27  -6.112  -9.376   8.924
  205   1HH2  ARG  27          2HH2      ARG  27  -6.212  -5.904   8.392
  206   2HH2  ARG  27          1HH2      ARG  27  -6.923  -7.252   9.240
  207    H    SER  28           H        SER  28   0.105  -8.271   2.667
  208    HA   SER  28           HA       SER  28   2.297  -6.433   2.768
  209   1HB   SER  28          2HB       SER  28   1.600  -7.667   0.170
  210   2HB   SER  28          1HB       SER  28   3.134  -7.664   1.045
  211    HG   SER  28           HG       SER  28   2.430  -9.349   2.301
  212    H    THR  29           H        THR  29   1.558  -4.353   2.808
  213    HA   THR  29           HA       THR  29  -0.551  -3.477   1.039
  214    HB   THR  29           HB       THR  29   0.254  -1.214   2.249
  215    HG1  THR  29           1HG      THR  29   0.942  -1.855   4.398
  216   1HG2  THR  29          1HG2      THR  29  -1.955  -2.463   2.398
  217   2HG2  THR  29          2HG2      THR  29  -1.470  -1.564   3.836
  218   3HG2  THR  29          3HG2      THR  29  -1.268  -3.316   3.780
  219    H    GLN  30           H        GLN  30   0.582  -3.802  -0.994
  220    HA   GLN  30           HA       GLN  30   2.692  -1.819  -1.538
  221   1HB   GLN  30          2HB       GLN  30   3.015  -3.221  -3.666
  222   2HB   GLN  30          1HB       GLN  30   3.553  -3.916  -2.147
  223   1HG   GLN  30          2HG       GLN  30   2.429  -5.729  -2.779
  224   2HG   GLN  30          1HG       GLN  30   0.985  -4.832  -2.328
  225   1HE2  GLN  30          1HE2      GLN  30   2.496  -6.497  -4.764
  226   2HE2  GLN  30          2HE2      GLN  30   1.534  -5.950  -6.090
  227    H    TRP  31           H        TRP  31   2.527  -0.457  -3.410
  228    HA   TRP  31           HA       TRP  31  -0.215  -0.268  -4.457
  229   1HB   TRP  31          2HB       TRP  31   1.226   2.061  -5.187
  230   2HB   TRP  31          1HB       TRP  31  -0.138   1.916  -4.100
  231    HD1  TRP  31           HD       TRP  31   3.657   1.217  -3.642
  232    HE1  TRP  31           1HE      TRP  31   4.412   2.389  -1.480
  233    HE3  TRP  31           3HE      TRP  31  -0.781   3.316  -2.302
  234    HZ2  TRP  31           2HZ      TRP  31   3.260   4.016   0.520
  235    HZ3  TRP  31           3HZ      TRP  31  -0.875   4.683  -0.269
  236    HH2  TRP  31           HH       TRP  31   1.103   5.026   1.112
  237    H    HIS  32           H        HIS  32   1.827  -2.090  -5.567
  238    HA   HIS  32           HA       HIS  32   1.965  -0.842  -8.239
  239   1HB   HIS  32          2HB       HIS  32   3.939  -2.450  -8.658
  240   2HB   HIS  32          1HB       HIS  32   4.225  -0.992  -7.723
  241    HD1  HIS  32           1HD      HIS  32   3.973  -4.732  -7.359
  242    HD2  HIS  32           2HD      HIS  32   5.099  -1.394  -5.147
  243    HE1  HIS  32           1HE      HIS  32   5.020  -5.627  -5.248
  244    HE2  HIS  32           2HE      HIS  32   5.675  -3.591  -3.915
  245    H    ARG  33           H        ARG  33   0.319  -2.969  -6.564
  246    HA   ARG  33           HA       ARG  33  -1.134  -4.616  -7.064
  247   1HB   ARG  33          2HB       ARG  33  -1.348  -3.185  -9.222
  248   2HB   ARG  33          1HB       ARG  33  -0.409  -4.469  -9.977
  249   1HG   ARG  33          2HG       ARG  33  -2.087  -6.082  -9.513
  250   2HG   ARG  33          1HG       ARG  33  -2.965  -4.965  -8.470
  251   1HD   ARG  33          2HD       ARG  33  -4.066  -5.162 -10.625
  252   2HD   ARG  33          1HD       ARG  33  -3.432  -3.535 -10.398
  253    HE   ARG  33           HE       ARG  33  -1.746  -5.398 -11.872
  254   1HH1  ARG  33          2HH1      ARG  33  -4.170  -2.874 -12.026
  255   2HH1  ARG  33          1HH1      ARG  33  -3.720  -2.355 -13.625
  256   1HH2  ARG  33          2HH2      ARG  33  -1.162  -4.749 -13.997
  257   2HH2  ARG  33          1HH2      ARG  33  -1.989  -3.398 -14.734
  258    HA   PRO  34           HA       PRO  34   1.499  -8.208  -7.164
  259   1HB   PRO  34          2HB       PRO  34  -0.423 -10.059  -6.711
  260   2HB   PRO  34          1HB       PRO  34   0.201  -9.003  -5.439
  261   1HG   PRO  34          2HG       PRO  34  -2.319  -8.763  -7.027
  262   2HG   PRO  34          1HG       PRO  34  -2.059  -8.489  -5.298
  263   1HD   PRO  34          2HD       PRO  34  -2.215  -6.477  -7.123
  264   2HD   PRO  34          1HD       PRO  34  -1.266  -6.366  -5.628
  265    H    SER  35           H        SER  35   1.144  -7.242  -9.630
  266    HA   SER  35           HA       SER  35   1.067  -9.523 -11.286
  267   1HB   SER  35          2HB       SER  35  -0.941  -9.239 -12.498
  268   2HB   SER  35          1HB       SER  35  -1.437  -9.006 -10.823
  269    HG   SER  35           HG       SER  35  -0.973  -7.037 -12.815
  270    H    LEU  36           H        LEU  36   1.027  -8.720 -13.685
  271    HA   LEU  36           HA       LEU  36   2.519  -6.199 -13.839
  272   1HB   LEU  36          2HB       LEU  36   2.909  -8.691 -15.058
  273   2HB   LEU  36          1HB       LEU  36   2.277  -7.665 -16.330
  274    HG   LEU  36           HG       LEU  36   4.933  -7.853 -15.410
  275   1HD1  LEU  36          1HD1      LEU  36   5.095  -7.267 -17.540
  276   2HD1  LEU  36          2HD1      LEU  36   3.416  -6.729 -17.566
  277   3HD1  LEU  36          3HD1      LEU  36   4.693  -5.612 -17.080
  278   1HD2  LEU  36          1HD2      LEU  36   3.640  -5.229 -14.690
  279   2HD2  LEU  36          2HD2      LEU  36   4.603  -6.288 -13.659
  280   3HD2  LEU  36          3HD2      LEU  36   5.372  -5.406 -14.979
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -8.175  -4.270 -13.394
    2   2H    GLY   1          2H        GLY   1  -7.809  -2.685 -13.865
    3   3H    GLY   1          3H        GLY   1  -7.809  -3.103 -12.220
    4   1HA   GLY   1          2HA       GLY   1  -5.581  -2.914 -13.524
    5   2HA   GLY   1          1HA       GLY   1  -5.819  -4.177 -12.324
    6    H    SER   2           H        SER   2  -3.926  -4.678 -14.087
    7    HA   SER   2           HA       SER   2  -4.861  -5.987 -16.438
    8   1HB   SER   2          2HB       SER   2  -2.245  -6.892 -15.690
    9   2HB   SER   2          1HB       SER   2  -2.708  -5.811 -17.004
   10    HG   SER   2           HG       SER   2  -1.221  -4.994 -15.278
   11    HA   PRO   3           HA       PRO   3  -4.176 -10.069 -14.134
   12   1HB   PRO   3          2HB       PRO   3  -3.201 -10.221 -11.678
   13   2HB   PRO   3          1HB       PRO   3  -2.139  -9.817 -13.032
   14   1HG   PRO   3          2HG       PRO   3  -3.373  -8.009 -10.991
   15   2HG   PRO   3          1HG       PRO   3  -1.726  -7.997 -11.648
   16   1HD   PRO   3          2HD       PRO   3  -3.797  -6.366 -12.513
   17   2HD   PRO   3          1HD       PRO   3  -2.340  -6.745 -13.451
   18    HA   PRO   4           HA       PRO   4  -7.986 -10.351 -11.740
   19   1HB   PRO   4          2HB       PRO   4  -7.201 -13.144 -11.248
   20   2HB   PRO   4          1HB       PRO   4  -8.628 -12.516 -12.077
   21   1HG   PRO   4          2HG       PRO   4  -6.638 -13.739 -13.407
   22   2HG   PRO   4          1HG       PRO   4  -7.557 -12.397 -14.114
   23   1HD   PRO   4          2HD       PRO   4  -4.830 -12.386 -12.876
   24   2HD   PRO   4          1HD       PRO   4  -5.413 -11.540 -14.325
   25    H    LEU   5           H        LEU   5  -8.209  -9.764  -9.674
   26    HA   LEU   5           HA       LEU   5  -5.961  -9.766  -7.926
   27   1HB   LEU   5          2HB       LEU   5  -8.180  -8.237  -8.123
   28   2HB   LEU   5          1HB       LEU   5  -8.637  -9.267  -6.779
   29    HG   LEU   5           HG       LEU   5  -6.656  -8.562  -5.534
   30   1HD1  LEU   5          1HD1      LEU   5  -6.052  -6.486  -7.584
   31   2HD1  LEU   5          2HD1      LEU   5  -5.011  -7.176  -6.340
   32   3HD1  LEU   5          3HD1      LEU   5  -5.401  -8.114  -7.781
   33   1HD2  LEU   5          1HD2      LEU   5  -7.320  -5.916  -5.870
   34   2HD2  LEU   5          2HD2      LEU   5  -8.765  -6.766  -6.419
   35   3HD2  LEU   5          3HD2      LEU   5  -8.133  -7.060  -4.799
   36    HA   PRO   6           HA       PRO   6  -6.605 -13.903  -6.380
   37   1HB   PRO   6          2HB       PRO   6  -4.514 -13.086  -4.461
   38   2HB   PRO   6          1HB       PRO   6  -4.531 -14.437  -5.597
   39   1HG   PRO   6          2HG       PRO   6  -2.986 -12.293  -6.013
   40   2HG   PRO   6          1HG       PRO   6  -3.776 -13.141  -7.357
   41   1HD   PRO   6          2HD       PRO   6  -4.556 -10.585  -6.007
   42   2HD   PRO   6          1HD       PRO   6  -4.574 -10.996  -7.734
   43    HA   PRO   7           HA       PRO   7  -9.355 -13.307  -3.036
   44   1HB   PRO   7          2HB       PRO   7  -8.432 -15.926  -1.997
   45   2HB   PRO   7          1HB       PRO   7 -10.052 -15.417  -2.491
   46   1HG   PRO   7          2HG       PRO   7  -8.624 -17.072  -4.016
   47   2HG   PRO   7          1HG       PRO   7  -9.628 -15.801  -4.743
   48   1HD   PRO   7          2HD       PRO   7  -6.664 -15.850  -4.300
   49   2HD   PRO   7          1HD       PRO   7  -7.577 -15.292  -5.715
   50    H    GLY   8           H        GLY   8  -8.756 -11.804  -1.622
   51   1HA   GLY   8          1HA       GLY   8  -8.132 -11.801   0.836
   52   2HA   GLY   8          2HA       GLY   8  -6.589 -12.440   0.277
   53    H    TRP   9           H        TRP   9  -6.923 -10.672  -2.195
   54    HA   TRP   9           HA       TRP   9  -5.568  -8.373  -1.080
   55   1HB   TRP   9          2HB       TRP   9  -6.230  -9.223  -3.900
   56   2HB   TRP   9          1HB       TRP   9  -5.465  -7.680  -3.531
   57    HD1  TRP   9           HD       TRP   9  -4.756 -11.419  -3.699
   58    HE1  TRP   9           1HE      TRP   9  -2.212 -11.785  -3.493
   59    HE3  TRP   9           3HE      TRP   9  -3.334  -6.655  -2.492
   60    HZ2  TRP   9           2HZ      TRP   9   0.086 -10.261  -2.876
   61    HZ3  TRP   9           3HZ      TRP   9  -0.953  -6.199  -2.094
   62    HH2  TRP   9           HH       TRP   9   0.724  -7.963  -2.291
   63    H    GLU  10           H        GLU  10  -6.375  -6.350  -0.820
   64    HA   GLU  10           HA       GLU  10  -9.114  -5.858  -1.795
   65   1HB   GLU  10          2HB       GLU  10  -9.229  -6.330   0.569
   66   2HB   GLU  10          1HB       GLU  10  -7.928  -5.200   0.901
   67   1HG   GLU  10          2HG       GLU  10  -9.316  -3.341   0.297
   68   2HG   GLU  10          1HG       GLU  10 -10.607  -4.426  -0.211
   69    H    GLU  11           H        GLU  11  -9.485  -3.876  -2.700
   70    HA   GLU  11           HA       GLU  11  -7.184  -2.232  -3.292
   71   1HB   GLU  11          2HB       GLU  11  -9.131  -2.838  -4.883
   72   2HB   GLU  11          1HB       GLU  11 -10.009  -1.559  -4.056
   73   1HG   GLU  11          2HG       GLU  11  -8.346   0.062  -4.708
   74   2HG   GLU  11          1HG       GLU  11  -7.359  -1.205  -5.437
   75    H    LYS  12           H        LYS  12  -6.516  -0.736  -1.929
   76    HA   LYS  12           HA       LYS  12  -8.510   0.906  -0.526
   77   1HB   LYS  12          2HB       LYS  12  -6.416  -0.811   0.633
   78   2HB   LYS  12          1HB       LYS  12  -6.455   0.829   1.267
   79   1HG   LYS  12          2HG       LYS  12  -8.992   0.382   1.553
   80   2HG   LYS  12          1HG       LYS  12  -8.521  -1.315   1.438
   81   1HD   LYS  12          2HD       LYS  12  -6.920  -0.960   3.284
   82   2HD   LYS  12          1HD       LYS  12  -7.481   0.707   3.418
   83   1HE   LYS  12          2HE       LYS  12  -9.366  -1.618   3.627
   84   2HE   LYS  12          1HE       LYS  12  -8.474  -1.017   5.025
   85   1HZ   LYS  12          1HZ       LYS  12 -10.789  -0.091   4.641
   86   2HZ   LYS  12          2HZ       LYS  12 -10.127   0.775   3.346
   87   3HZ   LYS  12          3HZ       LYS  12  -9.555   1.037   4.922
   88    H    VAL  13           H        VAL  13  -8.119   3.047  -0.750
   89    HA   VAL  13           HA       VAL  13  -5.561   3.869  -1.881
   90    HB   VAL  13           HB       VAL  13  -8.030   4.791  -2.437
   91   1HG1  VAL  13          1HG1      VAL  13  -8.709   6.633  -1.297
   92   2HG1  VAL  13          2HG1      VAL  13  -7.913   5.768   0.018
   93   3HG1  VAL  13          3HG1      VAL  13  -7.069   7.069  -0.817
   94   1HG2  VAL  13          1HG2      VAL  13  -5.325   5.945  -2.673
   95   2HG2  VAL  13          2HG2      VAL  13  -6.493   5.513  -3.923
   96   3HG2  VAL  13          3HG2      VAL  13  -6.682   7.017  -3.021
   97    H    ASP  14           H        ASP  14  -4.177   5.393  -0.875
   98    HA   ASP  14           HA       ASP  14  -4.339   5.281   2.039
   99   1HB   ASP  14          2HB       ASP  14  -2.074   5.298   2.081
  100   2HB   ASP  14          1HB       ASP  14  -2.248   4.773   0.413
  101    H    ASN  15           H        ASN  15  -3.147   7.350   3.027
  102    HA   ASN  15           HA       ASN  15  -5.084   9.377   2.902
  103   1HB   ASN  15          2HB       ASN  15  -3.919  10.411   4.627
  104   2HB   ASN  15          1HB       ASN  15  -3.458   8.723   4.812
  105   1HD2  ASN  15          1HD2      ASN  15  -1.393   8.082   3.819
  106   2HD2  ASN  15          2HD2      ASN  15  -0.096   9.229   3.817
  107    H    LEU  16           H        LEU  16  -2.168   8.955   1.053
  108    HA   LEU  16           HA       LEU  16  -2.140  11.787   0.318
  109   1HB   LEU  16          2HB       LEU  16  -0.140   9.740   0.543
  110   2HB   LEU  16          1HB       LEU  16  -0.114  10.419  -1.073
  111    HG   LEU  16           HG       LEU  16  -0.231  12.678   0.455
  112   1HD1  LEU  16          1HD1      LEU  16   0.585  12.414   2.503
  113   2HD1  LEU  16          2HD1      LEU  16   0.377  10.677   2.280
  114   3HD1  LEU  16          3HD1      LEU  16   1.928  11.433   1.913
  115   1HD2  LEU  16          1HD2      LEU  16   1.670  11.289  -1.178
  116   2HD2  LEU  16          2HD2      LEU  16   1.464  13.023  -0.934
  117   3HD2  LEU  16          3HD2      LEU  16   2.495  12.094   0.156
  118    H    GLY  17           H        GLY  17  -3.626   9.050  -0.712
  119   1HA   GLY  17          1HA       GLY  17  -5.164   9.121  -2.510
  120   2HA   GLY  17          2HA       GLY  17  -4.152  10.319  -3.296
  121    H    ARG  18           H        ARG  18  -2.636   7.500  -1.984
  122    HA   ARG  18           HA       ARG  18  -2.167   6.562  -4.733
  123   1HB   ARG  18          2HB       ARG  18  -0.696   5.266  -2.508
  124   2HB   ARG  18          1HB       ARG  18  -0.132   5.756  -4.093
  125   1HG   ARG  18          2HG       ARG  18   0.423   7.870  -3.402
  126   2HG   ARG  18          1HG       ARG  18  -0.748   7.855  -2.077
  127   1HD   ARG  18          2HD       ARG  18   0.632   6.697  -0.677
  128   2HD   ARG  18          1HD       ARG  18   1.473   5.888  -1.997
  129    HE   ARG  18           HE       ARG  18   2.679   7.989  -2.370
  130   1HH1  ARG  18          2HH1      ARG  18   0.960   7.619   0.666
  131   2HH1  ARG  18          1HH1      ARG  18   2.056   8.640   1.552
  132   1HH2  ARG  18          2HH2      ARG  18   4.109   9.365  -1.196
  133   2HH2  ARG  18          1HH2      ARG  18   3.826   9.630   0.504
  134    H    THR  19           H        THR  19  -3.836   5.295  -5.255
  135    HA   THR  19           HA       THR  19  -5.172   3.521  -3.521
  136    HB   THR  19           HB       THR  19  -5.189   2.707  -6.330
  137    HG1  THR  19           1HG      THR  19  -6.355   5.221  -6.064
  138   1HG2  THR  19          1HG2      THR  19  -7.549   2.845  -6.061
  139   2HG2  THR  19          2HG2      THR  19  -7.396   3.924  -4.678
  140   3HG2  THR  19          3HG2      THR  19  -6.908   2.237  -4.533
  141    H    TYR  20           H        TYR  20  -4.195   1.838  -2.568
  142    HA   TYR  20           HA       TYR  20  -2.258   0.281  -4.138
  143   1HB   TYR  20          2HB       TYR  20  -1.260  -0.416  -1.978
  144   2HB   TYR  20          1HB       TYR  20  -1.164   1.318  -2.231
  145    HD1  TYR  20           1HD      TYR  20  -2.449   2.851  -0.840
  146    HD2  TYR  20           2HD      TYR  20  -2.664  -1.354  -0.234
  147    HE1  TYR  20           1HE      TYR  20  -3.500   3.226   1.349
  148    HE2  TYR  20           2HE      TYR  20  -3.715  -0.987   1.955
  149    HH   TYR  20           HH       TYR  20  -4.582   2.266   3.064
  150    H    TYR  21           H        TYR  21  -2.067  -2.006  -2.965
  151    HA   TYR  21           HA       TYR  21  -4.798  -3.014  -2.576
  152   1HB   TYR  21          2HB       TYR  21  -2.546  -4.245  -4.174
  153   2HB   TYR  21          1HB       TYR  21  -3.948  -5.166  -3.635
  154    HD1  TYR  21           1HD      TYR  21  -6.191  -4.621  -4.493
  155    HD2  TYR  21           2HD      TYR  21  -2.711  -2.695  -6.009
  156    HE1  TYR  21           1HE      TYR  21  -7.481  -3.837  -6.429
  157    HE2  TYR  21           2HE      TYR  21  -4.001  -1.908  -7.949
  158    HH   TYR  21           HH       TYR  21  -7.238  -1.781  -8.084
  159    H    VAL  22           H        VAL  22  -5.064  -3.830  -0.660
  160    HA   VAL  22           HA       VAL  22  -2.681  -4.553   0.881
  161    HB   VAL  22           HB       VAL  22  -3.930  -2.849   1.971
  162   1HG1  VAL  22          1HG1      VAL  22  -6.338  -4.564   1.489
  163   2HG1  VAL  22          2HG1      VAL  22  -6.324  -3.265   2.682
  164   3HG1  VAL  22          3HG1      VAL  22  -6.052  -2.900   0.977
  165   1HG2  VAL  22          1HG2      VAL  22  -3.232  -4.034   3.751
  166   2HG2  VAL  22          2HG2      VAL  22  -4.951  -4.372   3.952
  167   3HG2  VAL  22          3HG2      VAL  22  -3.911  -5.543   3.141
  168    H    ASN  23           H        ASN  23  -2.240  -6.622   0.774
  169    HA   ASN  23           HA       ASN  23  -4.147  -8.683   0.395
  170   1HB   ASN  23          2HB       ASN  23  -1.676  -8.838  -0.092
  171   2HB   ASN  23          1HB       ASN  23  -1.405  -8.919   1.640
  172   1HD2  ASN  23          1HD2      ASN  23  -0.414 -10.900   0.257
  173   2HD2  ASN  23          2HD2      ASN  23  -1.341 -12.350   0.446
  174    H    HIS  24           H        HIS  24  -5.240  -9.907   1.902
  175    HA   HIS  24           HA       HIS  24  -5.257  -8.840   4.616
  176   1HB   HIS  24          2HB       HIS  24  -7.110 -10.547   3.004
  177   2HB   HIS  24          1HB       HIS  24  -7.207 -10.606   4.759
  178    HD1  HIS  24           1HD      HIS  24  -9.551  -9.557   4.717
  179    HD2  HIS  24           2HD      HIS  24  -6.581  -7.128   3.085
  180    HE1  HIS  24           1HE      HIS  24 -10.585  -7.274   4.484
  181    HE2  HIS  24           2HE      HIS  24  -8.840  -5.873   3.322
  182    H    ASN  25           H        ASN  25  -3.847 -11.363   2.891
  183    HA   ASN  25           HA       ASN  25  -3.888 -13.293   5.046
  184   1HB   ASN  25          2HB       ASN  25  -3.438 -13.359   2.236
  185   2HB   ASN  25          1HB       ASN  25  -2.003 -14.004   3.030
  186   1HD2  ASN  25          1HD2      ASN  25  -4.855 -14.820   1.731
  187   2HD2  ASN  25          2HD2      ASN  25  -5.185 -16.280   2.587
  188    H    ASN  26           H        ASN  26  -1.026 -12.388   3.149
  189    HA   ASN  26           HA       ASN  26   0.621 -12.363   5.498
  190   1HB   ASN  26          2HB       ASN  26   2.032 -12.959   3.846
  191   2HB   ASN  26          1HB       ASN  26   1.006 -12.260   2.601
  192   1HD2  ASN  26          1HD2      ASN  26   3.588 -11.643   4.869
  193   2HD2  ASN  26          2HD2      ASN  26   4.180 -10.209   4.090
  194    H    ARG  27           H        ARG  27  -1.158 -10.071   3.690
  195    HA   ARG  27           HA       ARG  27  -1.813  -7.967   4.127
  196   1HB   ARG  27          2HB       ARG  27  -0.165  -8.116   6.648
  197   2HB   ARG  27          1HB       ARG  27  -1.360  -6.887   6.248
  198   1HG   ARG  27          2HG       ARG  27  -2.683  -9.341   5.999
  199   2HG   ARG  27          1HG       ARG  27  -1.731  -9.441   7.482
  200   1HD   ARG  27          2HD       ARG  27  -3.625  -7.205   6.769
  201   2HD   ARG  27          1HD       ARG  27  -3.987  -8.532   7.872
  202    HE   ARG  27           HE       ARG  27  -1.703  -6.778   8.443
  203   1HH1  ARG  27          2HH1      ARG  27  -4.941  -7.842   9.219
  204   2HH1  ARG  27          1HH1      ARG  27  -4.893  -7.228  10.845
  205   1HH2  ARG  27          2HH2      ARG  27  -1.630  -5.953  10.580
  206   2HH2  ARG  27          1HH2      ARG  27  -3.020  -6.138  11.616
  207    H    SER  28           H        SER  28   0.116  -8.222   2.311
  208    HA   SER  28           HA       SER  28   2.098  -6.180   2.708
  209   1HB   SER  28          2HB       SER  28   1.768  -6.653  -0.043
  210   2HB   SER  28          1HB       SER  28   2.990  -7.361   1.014
  211    HG   SER  28           HG       SER  28   1.839  -9.168   1.198
  212    H    THR  29           H        THR  29   1.631  -4.067   2.643
  213    HA   THR  29           HA       THR  29  -0.793  -3.157   1.272
  214    HB   THR  29           HB       THR  29   0.139  -0.908   2.399
  215    HG1  THR  29           1HG      THR  29   1.972  -1.643   3.356
  216   1HG2  THR  29          1HG2      THR  29  -1.060  -2.780   4.362
  217   2HG2  THR  29          2HG2      THR  29  -1.955  -2.519   2.865
  218   3HG2  THR  29          3HG2      THR  29  -1.557  -1.150   3.904
  219    H    GLN  30           H        GLN  30   0.378  -3.686  -0.784
  220    HA   GLN  30           HA       GLN  30   2.510  -1.770  -1.430
  221   1HB   GLN  30          2HB       GLN  30   2.968  -3.390  -3.331
  222   2HB   GLN  30          1HB       GLN  30   3.307  -3.972  -1.708
  223   1HG   GLN  30          2HG       GLN  30   1.441  -5.378  -1.712
  224   2HG   GLN  30          1HG       GLN  30   0.697  -4.538  -3.055
  225   1HE2  GLN  30          1HE2      GLN  30   0.886  -5.396  -4.897
  226   2HE2  GLN  30          2HE2      GLN  30   2.031  -6.576  -5.378
  227    H    TRP  31           H        TRP  31   2.282  -0.313  -3.017
  228    HA   TRP  31           HA       TRP  31  -0.345  -0.092  -4.243
  229   1HB   TRP  31          2HB       TRP  31   1.354   2.027  -5.108
  230   2HB   TRP  31          1HB       TRP  31  -0.036   2.110  -4.038
  231    HD1  TRP  31           HD       TRP  31   3.750   1.275  -3.690
  232    HE1  TRP  31           1HE      TRP  31   4.571   2.265  -1.458
  233    HE3  TRP  31           3HE      TRP  31  -0.671   3.194  -2.001
  234    HZ2  TRP  31           2HZ      TRP  31   3.473   3.686   0.720
  235    HZ3  TRP  31           3HZ      TRP  31  -0.697   4.360   0.158
  236    HH2  TRP  31           HH       TRP  31   1.326   4.602   1.486
  237    H    HIS  32           H        HIS  32   2.665  -1.363  -5.104
  238    HA   HIS  32           HA       HIS  32   2.530  -0.636  -7.878
  239   1HB   HIS  32          2HB       HIS  32   4.452  -1.968  -8.227
  240   2HB   HIS  32          1HB       HIS  32   4.663  -1.219  -6.656
  241    HD1  HIS  32           1HD      HIS  32   4.717  -2.751  -4.611
  242    HD2  HIS  32           2HD      HIS  32   4.239  -4.756  -8.224
  243    HE1  HIS  32           1HE      HIS  32   5.150  -5.177  -4.108
  244    HE2  HIS  32           2HE      HIS  32   4.962  -6.355  -6.325
  245    H    ARG  33           H        ARG  33   0.511  -2.409  -6.193
  246    HA   ARG  33           HA       ARG  33  -1.107  -3.923  -6.661
  247   1HB   ARG  33          2HB       ARG  33  -0.118  -3.558  -9.502
  248   2HB   ARG  33          1HB       ARG  33  -1.537  -4.497  -9.060
  249   1HG   ARG  33          2HG       ARG  33  -2.541  -2.539  -9.597
  250   2HG   ARG  33          1HG       ARG  33  -2.249  -2.257  -7.883
  251   1HD   ARG  33          2HD       ARG  33  -0.531  -0.766  -8.286
  252   2HD   ARG  33          1HD       ARG  33  -0.196  -1.428  -9.886
  253    HE   ARG  33           HE       ARG  33  -2.358  -0.379 -10.574
  254   1HH1  ARG  33          2HH1      ARG  33  -0.577   0.885  -7.811
  255   2HH1  ARG  33          1HH1      ARG  33  -1.235   2.492  -7.972
  256   1HH2  ARG  33          2HH2      ARG  33  -3.191   1.748 -10.785
  257   2HH2  ARG  33          1HH2      ARG  33  -2.704   2.971  -9.646
  258    HA   PRO  34           HA       PRO  34   0.911  -7.769  -6.230
  259   1HB   PRO  34          2HB       PRO  34  -1.270  -9.228  -7.512
  260   2HB   PRO  34          1HB       PRO  34  -0.714  -9.301  -5.846
  261   1HG   PRO  34          2HG       PRO  34  -3.056  -8.135  -6.564
  262   2HG   PRO  34          1HG       PRO  34  -2.105  -7.610  -5.165
  263   1HD   PRO  34          2HD       PRO  34  -2.383  -6.355  -7.850
  264   2HD   PRO  34          1HD       PRO  34  -2.161  -5.590  -6.265
  265    H    SER  35           H        SER  35  -0.272  -6.857  -9.261
  266    HA   SER  35           HA       SER  35   2.087  -7.770 -10.591
  267   1HB   SER  35          2HB       SER  35  -0.592  -8.962 -11.375
  268   2HB   SER  35          1HB       SER  35   0.869  -9.065 -12.353
  269    HG   SER  35           HG       SER  35   1.369  -9.868  -9.828
  270    H    LEU  36           H        LEU  36   2.400  -6.650 -12.548
  271    HA   LEU  36           HA       LEU  36   0.293  -4.703 -13.235
  272   1HB   LEU  36          2HB       LEU  36   2.826  -4.103 -12.282
  273   2HB   LEU  36          1HB       LEU  36   3.005  -3.946 -14.019
  274    HG   LEU  36           HG       LEU  36   2.484  -1.795 -13.029
  275   1HD1  LEU  36          1HD1      LEU  36   0.517  -3.096 -14.835
  276   2HD1  LEU  36          2HD1      LEU  36   0.148  -1.486 -14.215
  277   3HD1  LEU  36          3HD1      LEU  36   1.625  -1.758 -15.139
  278   1HD2  LEU  36          1HD2      LEU  36  -0.112  -1.829 -12.211
  279   2HD2  LEU  36          2HD2      LEU  36   0.480  -3.373 -11.599
  280   3HD2  LEU  36          3HD2      LEU  36   1.288  -1.876 -11.139
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1 -11.227 -14.683  -8.768
    2   2H    GLY   1          2H        GLY   1 -10.373 -13.413  -9.498
    3   3H    GLY   1          3H        GLY   1 -10.654 -14.847 -10.355
    4   1HA   GLY   1          2HA       GLY   1 -13.027 -14.426 -10.360
    5   2HA   GLY   1          1HA       GLY   1 -12.746 -12.947  -9.448
    6    H    SER   2           H        SER   2 -13.892 -11.951 -11.281
    7    HA   SER   2           HA       SER   2 -12.838 -11.926 -13.885
    8   1HB   SER   2          2HB       SER   2 -14.329  -9.599 -12.685
    9   2HB   SER   2          1HB       SER   2 -14.356 -10.184 -14.348
   10    HG   SER   2           HG       SER   2 -15.360 -12.115 -13.522
   11    HA   PRO   3           HA       PRO   3 -10.193  -8.105 -12.679
   12   1HB   PRO   3          2HB       PRO   3 -10.397  -7.731  -9.800
   13   2HB   PRO   3          1HB       PRO   3 -10.707  -6.567 -11.088
   14   1HG   PRO   3          2HG       PRO   3 -12.666  -7.583  -9.501
   15   2HG   PRO   3          1HG       PRO   3 -12.943  -7.064 -11.174
   16   1HD   PRO   3          2HD       PRO   3 -12.551  -9.825 -10.083
   17   2HD   PRO   3          1HD       PRO   3 -13.693  -9.254 -11.320
   18    HA   PRO   4           HA       PRO   4  -7.330 -11.373 -11.523
   19   1HB   PRO   4          2HB       PRO   4  -5.321  -9.387 -12.396
   20   2HB   PRO   4          1HB       PRO   4  -5.588 -11.046 -12.939
   21   1HG   PRO   4          2HG       PRO   4  -6.264  -8.962 -14.472
   22   2HG   PRO   4          1HG       PRO   4  -7.255 -10.433 -14.424
   23   1HD   PRO   4          2HD       PRO   4  -7.713  -7.795 -13.076
   24   2HD   PRO   4          1HD       PRO   4  -8.881  -8.875 -13.867
   25    H    LEU   5           H        LEU   5  -7.399 -11.411  -9.360
   26    HA   LEU   5           HA       LEU   5  -5.412  -9.881  -7.908
   27   1HB   LEU   5          2HB       LEU   5  -7.907  -8.853  -7.983
   28   2HB   LEU   5          1HB       LEU   5  -8.084  -9.956  -6.633
   29    HG   LEU   5           HG       LEU   5  -6.310  -8.833  -5.425
   30   1HD1  LEU   5          1HD1      LEU   5  -5.360  -8.101  -7.875
   31   2HD1  LEU   5          2HD1      LEU   5  -6.027  -6.585  -7.268
   32   3HD1  LEU   5          3HD1      LEU   5  -4.806  -7.451  -6.331
   33   1HD2  LEU   5          1HD2      LEU   5  -7.440  -6.369  -5.771
   34   2HD2  LEU   5          2HD2      LEU   5  -8.695  -7.444  -6.385
   35   3HD2  LEU   5          3HD2      LEU   5  -8.084  -7.650  -4.743
   36    HA   PRO   6           HA       PRO   6  -5.134 -14.032  -6.186
   37   1HB   PRO   6          2HB       PRO   6  -3.238 -12.674  -4.360
   38   2HB   PRO   6          1HB       PRO   6  -2.993 -14.087  -5.392
   39   1HG   PRO   6          2HG       PRO   6  -1.910 -11.731  -6.023
   40   2HG   PRO   6          1HG       PRO   6  -2.562 -12.806  -7.275
   41   1HD   PRO   6          2HD       PRO   6  -3.786 -10.355  -6.058
   42   2HD   PRO   6          1HD       PRO   6  -3.762 -10.875  -7.756
   43    HA   PRO   7           HA       PRO   7  -7.998 -13.902  -2.942
   44   1HB   PRO   7          2HB       PRO   7  -6.491 -16.059  -1.579
   45   2HB   PRO   7          1HB       PRO   7  -8.156 -16.045  -2.170
   46   1HG   PRO   7          2HG       PRO   7  -6.262 -17.416  -3.451
   47   2HG   PRO   7          1HG       PRO   7  -7.533 -16.553  -4.340
   48   1HD   PRO   7          2HD       PRO   7  -4.681 -15.766  -3.870
   49   2HD   PRO   7          1HD       PRO   7  -5.664 -15.609  -5.341
   50    H    GLY   8           H        GLY   8  -7.908 -12.136  -1.693
   51   1HA   GLY   8          1HA       GLY   8  -7.656 -11.799   0.798
   52   2HA   GLY   8          2HA       GLY   8  -5.956 -12.153   0.525
   53    H    TRP   9           H        TRP   9  -6.167 -10.659  -2.104
   54    HA   TRP   9           HA       TRP   9  -5.134  -8.235  -1.027
   55   1HB   TRP   9          2HB       TRP   9  -5.657  -9.228  -3.813
   56   2HB   TRP   9          1HB       TRP   9  -5.112  -7.580  -3.519
   57    HD1  TRP   9           HD       TRP   9  -3.864 -11.116  -3.745
   58    HE1  TRP   9           1HE      TRP   9  -1.308 -11.151  -3.368
   59    HE3  TRP   9           3HE      TRP   9  -3.250  -6.343  -2.087
   60    HZ2  TRP   9           2HZ      TRP   9   0.698  -9.348  -2.466
   61    HZ3  TRP   9           3HZ      TRP   9  -1.002  -5.577  -1.474
   62    HH2  TRP   9           HH       TRP   9   0.934  -7.048  -1.657
   63    H    GLU  10           H        GLU  10  -6.142  -6.426  -0.531
   64    HA   GLU  10           HA       GLU  10  -8.862  -5.980  -1.579
   65   1HB   GLU  10          2HB       GLU  10  -8.468  -6.440   0.937
   66   2HB   GLU  10          1HB       GLU  10  -7.793  -4.818   0.983
   67   1HG   GLU  10          2HG       GLU  10 -10.095  -4.279  -0.234
   68   2HG   GLU  10          1HG       GLU  10 -10.587  -5.707   0.674
   69    H    GLU  11           H        GLU  11  -9.413  -3.840  -2.193
   70    HA   GLU  11           HA       GLU  11  -7.091  -2.270  -2.998
   71   1HB   GLU  11          2HB       GLU  11  -9.045  -2.948  -4.541
   72   2HB   GLU  11          1HB       GLU  11  -9.943  -1.672  -3.731
   73   1HG   GLU  11          2HG       GLU  11  -8.194  -0.069  -4.404
   74   2HG   GLU  11          1HG       GLU  11  -7.392  -1.365  -5.291
   75    H    LYS  12           H        LYS  12  -6.449  -0.573  -1.877
   76    HA   LYS  12           HA       LYS  12  -8.423   0.961  -0.328
   77   1HB   LYS  12          2HB       LYS  12  -6.393  -0.709   0.752
   78   2HB   LYS  12          1HB       LYS  12  -5.915   0.957   1.046
   79   1HG   LYS  12          2HG       LYS  12  -7.400   1.168   2.674
   80   2HG   LYS  12          1HG       LYS  12  -8.698   0.566   1.644
   81   1HD   LYS  12          2HD       LYS  12  -7.778  -1.757   2.086
   82   2HD   LYS  12          1HD       LYS  12  -6.796  -1.017   3.353
   83   1HE   LYS  12          2HE       LYS  12  -8.855  -1.961   4.262
   84   2HE   LYS  12          1HE       LYS  12  -8.813  -0.210   4.455
   85   1HZ   LYS  12          1HZ       LYS  12 -10.898  -0.444   3.636
   86   2HZ   LYS  12          2HZ       LYS  12 -10.534  -1.858   2.764
   87   3HZ   LYS  12          3HZ       LYS  12 -10.076  -0.342   2.158
   88    H    VAL  13           H        VAL  13  -8.115   3.166  -0.381
   89    HA   VAL  13           HA       VAL  13  -5.661   4.104  -1.706
   90    HB   VAL  13           HB       VAL  13  -8.418   5.009  -1.816
   91   1HG1  VAL  13          1HG1      VAL  13  -7.840   7.451  -1.921
   92   2HG1  VAL  13          2HG1      VAL  13  -7.890   6.750  -0.302
   93   3HG1  VAL  13          3HG1      VAL  13  -6.339   7.047  -1.087
   94   1HG2  VAL  13          1HG2      VAL  13  -6.126   6.089  -3.405
   95   2HG2  VAL  13          2HG2      VAL  13  -6.718   4.445  -3.656
   96   3HG2  VAL  13          3HG2      VAL  13  -7.797   5.819  -3.904
   97    H    ASP  14           H        ASP  14  -4.276   5.492  -0.683
   98    HA   ASP  14           HA       ASP  14  -4.504   5.528   2.212
   99   1HB   ASP  14          2HB       ASP  14  -2.213   5.788   2.276
  100   2HB   ASP  14          1HB       ASP  14  -2.395   4.953   0.737
  101    H    ASN  15           H        ASN  15  -3.132   7.739   2.970
  102    HA   ASN  15           HA       ASN  15  -5.124   9.760   2.790
  103   1HB   ASN  15          2HB       ASN  15  -3.974  10.844   4.462
  104   2HB   ASN  15          1HB       ASN  15  -3.401   9.200   4.695
  105   1HD2  ASN  15          1HD2      ASN  15  -1.280   8.678   4.122
  106   2HD2  ASN  15          2HD2      ASN  15  -0.078   9.894   3.866
  107    H    LEU  16           H        LEU  16  -2.182   9.161   1.020
  108    HA   LEU  16           HA       LEU  16  -1.995  11.872   0.025
  109   1HB   LEU  16          2HB       LEU  16  -0.475   9.334  -0.414
  110   2HB   LEU  16          1HB       LEU  16  -0.302  10.649  -1.561
  111    HG   LEU  16           HG       LEU  16   0.136  11.075   1.381
  112   1HD1  LEU  16          1HD1      LEU  16   2.072  10.063  -0.684
  113   2HD1  LEU  16          2HD1      LEU  16   2.580  10.850   0.811
  114   3HD1  LEU  16          3HD1      LEU  16   1.664   9.344   0.874
  115   1HD2  LEU  16          1HD2      LEU  16   1.449  12.966   0.610
  116   2HD2  LEU  16          2HD2      LEU  16   1.149  12.509  -1.068
  117   3HD2  LEU  16          3HD2      LEU  16  -0.187  13.043  -0.048
  118    H    GLY  17           H        GLY  17  -3.535   8.925  -0.899
  119   1HA   GLY  17          1HA       GLY  17  -5.379   9.009  -2.436
  120   2HA   GLY  17          2HA       GLY  17  -4.540  10.284  -3.311
  121    H    ARG  18           H        ARG  18  -2.877   7.463  -2.164
  122    HA   ARG  18           HA       ARG  18  -2.436   6.654  -4.955
  123   1HB   ARG  18          2HB       ARG  18  -0.898   5.484  -2.656
  124   2HB   ARG  18          1HB       ARG  18  -0.388   5.750  -4.312
  125   1HG   ARG  18          2HG       ARG  18   0.060   7.997  -3.961
  126   2HG   ARG  18          1HG       ARG  18  -0.943   8.067  -2.511
  127   1HD   ARG  18          2HD       ARG  18   0.732   7.413  -1.187
  128   2HD   ARG  18          1HD       ARG  18   1.241   6.150  -2.306
  129    HE   ARG  18           HE       ARG  18   1.928   8.819  -3.147
  130   1HH1  ARG  18          2HH1      ARG  18   2.935   6.040  -1.276
  131   2HH1  ARG  18          1HH1      ARG  18   4.625   6.418  -1.376
  132   1HH2  ARG  18          2HH2      ARG  18   4.148   9.344  -3.259
  133   2HH2  ARG  18          1HH2      ARG  18   5.315   8.305  -2.488
  134    H    THR  19           H        THR  19  -3.780   5.121  -5.631
  135    HA   THR  19           HA       THR  19  -5.240   3.430  -3.896
  136    HB   THR  19           HB       THR  19  -4.925   2.403  -6.612
  137    HG1  THR  19           1HG      THR  19  -4.974   4.244  -7.633
  138   1HG2  THR  19          1HG2      THR  19  -6.785   1.995  -4.902
  139   2HG2  THR  19          2HG2      THR  19  -7.274   2.314  -6.566
  140   3HG2  THR  19          3HG2      THR  19  -7.385   3.591  -5.356
  141    H    TYR  20           H        TYR  20  -4.206   1.965  -2.668
  142    HA   TYR  20           HA       TYR  20  -2.208   0.290  -3.999
  143   1HB   TYR  20          2HB       TYR  20  -1.102  -0.058  -1.897
  144   2HB   TYR  20          1HB       TYR  20  -1.294   1.667  -2.143
  145    HD1  TYR  20           1HD      TYR  20  -2.247  -1.206  -0.112
  146    HD2  TYR  20           2HD      TYR  20  -2.826   2.966  -0.715
  147    HE1  TYR  20           1HE      TYR  20  -3.227  -1.021   2.129
  148    HE2  TYR  20           2HE      TYR  20  -3.807   3.156   1.528
  149    HH   TYR  20           HH       TYR  20  -4.897   1.768   3.191
  150    H    TYR  21           H        TYR  21  -1.996  -1.880  -2.926
  151    HA   TYR  21           HA       TYR  21  -4.684  -2.898  -2.341
  152   1HB   TYR  21          2HB       TYR  21  -2.476  -4.132  -3.994
  153   2HB   TYR  21          1HB       TYR  21  -3.831  -5.069  -3.368
  154    HD1  TYR  21           1HD      TYR  21  -6.096  -4.692  -4.195
  155    HD2  TYR  21           2HD      TYR  21  -2.789  -2.566  -5.834
  156    HE1  TYR  21           1HE      TYR  21  -7.489  -4.002  -6.097
  157    HE2  TYR  21           2HE      TYR  21  -4.180  -1.869  -7.737
  158    HH   TYR  21           HH       TYR  21  -7.417  -1.914  -7.766
  159    H    VAL  22           H        VAL  22  -4.914  -4.019  -0.553
  160    HA   VAL  22           HA       VAL  22  -2.489  -4.609   1.005
  161    HB   VAL  22           HB       VAL  22  -3.658  -2.864   2.120
  162   1HG1  VAL  22          1HG1      VAL  22  -5.996  -2.934   2.737
  163   2HG1  VAL  22          2HG1      VAL  22  -5.823  -3.101   0.990
  164   3HG1  VAL  22          3HG1      VAL  22  -6.170  -4.520   1.984
  165   1HG2  VAL  22          1HG2      VAL  22  -3.409  -5.464   3.277
  166   2HG2  VAL  22          2HG2      VAL  22  -3.197  -3.885   4.035
  167   3HG2  VAL  22          3HG2      VAL  22  -4.791  -4.633   3.992
  168    H    ASN  23           H        ASN  23  -2.112  -6.690   1.083
  169    HA   ASN  23           HA       ASN  23  -4.058  -8.662   0.489
  170   1HB   ASN  23          2HB       ASN  23  -1.456  -8.776   0.323
  171   2HB   ASN  23          1HB       ASN  23  -1.548  -9.278   2.009
  172   1HD2  ASN  23          1HD2      ASN  23  -0.567 -10.833  -0.149
  173   2HD2  ASN  23          2HD2      ASN  23  -1.596 -12.216  -0.319
  174    H    HIS  24           H        HIS  24  -5.349  -9.855   1.825
  175    HA   HIS  24           HA       HIS  24  -5.323  -9.127   4.658
  176   1HB   HIS  24          2HB       HIS  24  -7.355 -10.371   2.839
  177   2HB   HIS  24          1HB       HIS  24  -7.484 -10.614   4.578
  178    HD1  HIS  24           1HD      HIS  24  -9.673  -9.241   4.659
  179    HD2  HIS  24           2HD      HIS  24  -6.371  -7.107   3.304
  180    HE1  HIS  24           1HE      HIS  24 -10.374  -6.826   4.677
  181    HE2  HIS  24           2HE      HIS  24  -8.461  -5.584   3.608
  182    H    ASN  25           H        ASN  25  -4.042 -11.414   2.657
  183    HA   ASN  25           HA       ASN  25  -4.241 -13.649   4.482
  184   1HB   ASN  25          2HB       ASN  25  -3.699 -13.363   1.741
  185   2HB   ASN  25          1HB       ASN  25  -2.203 -13.957   2.457
  186   1HD2  ASN  25          1HD2      ASN  25  -5.005 -14.896   1.059
  187   2HD2  ASN  25          2HD2      ASN  25  -5.157 -16.486   1.739
  188    H    ASN  26           H        ASN  26  -1.510 -11.746   3.150
  189    HA   ASN  26           HA       ASN  26  -0.067 -12.331   5.649
  190   1HB   ASN  26          2HB       ASN  26   0.775 -13.004   3.190
  191   2HB   ASN  26          1HB       ASN  26   1.452 -11.380   3.285
  192   1HD2  ASN  26          1HD2      ASN  26   1.167 -14.325   5.230
  193   2HD2  ASN  26          2HD2      ASN  26   2.766 -14.256   5.886
  194    H    ARG  27           H        ARG  27  -1.745  -9.969   4.186
  195    HA   ARG  27           HA       ARG  27  -1.984  -7.748   4.414
  196   1HB   ARG  27          2HB       ARG  27  -0.450  -8.283   6.953
  197   2HB   ARG  27          1HB       ARG  27  -1.260  -6.764   6.579
  198   1HG   ARG  27          2HG       ARG  27  -3.341  -7.631   6.868
  199   2HG   ARG  27          1HG       ARG  27  -2.855  -9.257   6.390
  200   1HD   ARG  27          2HD       ARG  27  -1.839  -8.043   8.929
  201   2HD   ARG  27          1HD       ARG  27  -3.435  -8.786   8.865
  202    HE   ARG  27           HE       ARG  27  -0.867 -10.135   8.731
  203   1HH1  ARG  27          2HH1      ARG  27  -4.334 -10.378   8.256
  204   2HH1  ARG  27          1HH1      ARG  27  -4.347 -12.118   8.353
  205   1HH2  ARG  27          2HH2      ARG  27  -0.881 -12.405   8.883
  206   2HH2  ARG  27          1HH2      ARG  27  -2.389 -13.274   8.732
  207    H    SER  28           H        SER  28  -0.138  -8.219   2.591
  208    HA   SER  28           HA       SER  28   2.062  -6.377   3.013
  209   1HB   SER  28          2HB       SER  28   1.513  -7.269   0.268
  210   2HB   SER  28          1HB       SER  28   2.991  -7.412   1.222
  211    HG   SER  28           HG       SER  28   2.244  -9.277   2.128
  212    H    THR  29           H        THR  29   2.196  -4.328   1.994
  213    HA   THR  29           HA       THR  29  -0.375  -3.329   0.938
  214    HB   THR  29           HB       THR  29   0.616  -1.095   2.053
  215    HG1  THR  29           1HG      THR  29   2.419  -2.457   2.892
  216   1HG2  THR  29          1HG2      THR  29  -1.178  -3.238   3.037
  217   2HG2  THR  29          2HG2      THR  29  -1.514  -1.535   2.728
  218   3HG2  THR  29          3HG2      THR  29  -0.678  -2.018   4.205
  219    H    GLN  30           H        GLN  30   0.587  -3.715  -1.201
  220    HA   GLN  30           HA       GLN  30   2.691  -1.778  -1.891
  221   1HB   GLN  30          2HB       GLN  30   3.047  -3.122  -3.929
  222   2HB   GLN  30          1HB       GLN  30   3.284  -4.059  -2.460
  223   1HG   GLN  30          2HG       GLN  30   0.928  -4.875  -2.754
  224   2HG   GLN  30          1HG       GLN  30   0.953  -4.149  -4.346
  225   1HE2  GLN  30          1HE2      GLN  30   1.452  -5.459  -5.923
  226   2HE2  GLN  30          2HE2      GLN  30   2.436  -6.876  -5.808
  227    H    TRP  31           H        TRP  31   2.335  -0.186  -3.363
  228    HA   TRP  31           HA       TRP  31  -0.373   0.048  -4.423
  229   1HB   TRP  31          2HB       TRP  31   1.123   2.363  -5.109
  230   2HB   TRP  31          1HB       TRP  31  -0.235   2.226  -4.015
  231    HD1  TRP  31           HD       TRP  31   3.552   1.417  -3.630
  232    HE1  TRP  31           1HE      TRP  31   4.346   2.473  -1.419
  233    HE3  TRP  31           3HE      TRP  31  -0.838   3.545  -2.147
  234    HZ2  TRP  31           2HZ      TRP  31   3.242   4.022   0.671
  235    HZ3  TRP  31           3HZ      TRP  31  -0.890   4.800  -0.040
  236    HH2  TRP  31           HH       TRP  31   1.105   5.041   1.334
  237    H    HIS  32           H        HIS  32   1.865  -1.667  -5.556
  238    HA   HIS  32           HA       HIS  32   1.849  -0.414  -8.221
  239   1HB   HIS  32          2HB       HIS  32   3.630  -2.427  -8.577
  240   2HB   HIS  32          1HB       HIS  32   4.070  -0.785  -8.144
  241    HD1  HIS  32           1HD      HIS  32   4.322  -4.249  -7.011
  242    HD2  HIS  32           2HD      HIS  32   4.674  -0.460  -5.345
  243    HE1  HIS  32           1HE      HIS  32   5.508  -4.581  -4.818
  244    HE2  HIS  32           2HE      HIS  32   5.973  -2.240  -4.001
  245    H    ARG  33           H        ARG  33   0.029  -2.319  -6.564
  246    HA   ARG  33           HA       ARG  33  -1.604  -3.807  -7.073
  247   1HB   ARG  33          2HB       ARG  33  -1.503  -2.416  -9.266
  248   2HB   ARG  33          1HB       ARG  33  -0.716  -3.835  -9.942
  249   1HG   ARG  33          2HG       ARG  33  -2.634  -5.163  -9.637
  250   2HG   ARG  33          1HG       ARG  33  -3.382  -3.974  -8.567
  251   1HD   ARG  33          2HD       ARG  33  -3.956  -2.571 -10.299
  252   2HD   ARG  33          1HD       ARG  33  -2.678  -3.174 -11.350
  253    HE   ARG  33           HE       ARG  33  -5.280  -4.453 -10.865
  254   1HH1  ARG  33          2HH1      ARG  33  -2.243  -4.351 -12.615
  255   2HH1  ARG  33          1HH1      ARG  33  -2.796  -5.396 -13.886
  256   1HH2  ARG  33          2HH2      ARG  33  -6.013  -5.814 -12.522
  257   2HH2  ARG  33          1HH2      ARG  33  -4.957  -6.216 -13.846
  258    HA   PRO  34           HA       PRO  34   0.704  -7.614  -7.113
  259   1HB   PRO  34          2HB       PRO  34  -1.520  -9.204  -6.541
  260   2HB   PRO  34          1HB       PRO  34  -0.463  -8.436  -5.362
  261   1HG   PRO  34          2HG       PRO  34  -3.188  -7.831  -5.903
  262   2HG   PRO  34          1HG       PRO  34  -2.100  -7.002  -4.785
  263   1HD   PRO  34          2HD       PRO  34  -2.957  -6.226  -7.492
  264   2HD   PRO  34          1HD       PRO  34  -2.318  -5.223  -6.175
  265    H    SER  35           H        SER  35   0.732  -7.094  -9.526
  266    HA   SER  35           HA       SER  35  -0.757  -9.177 -10.978
  267   1HB   SER  35          2HB       SER  35  -0.468  -7.261 -12.879
  268   2HB   SER  35          1HB       SER  35  -1.904  -7.422 -11.865
  269    HG   SER  35           HG       SER  35   0.341  -5.818 -11.171
  270    H    LEU  36           H        LEU  36   0.280  -9.896 -12.951
  271    HA   LEU  36           HA       LEU  36   3.174  -9.800 -12.799
  272   1HB   LEU  36          2HB       LEU  36   1.166 -11.513 -14.063
  273   2HB   LEU  36          1HB       LEU  36   2.531 -11.171 -15.108
  274    HG   LEU  36           HG       LEU  36   3.139 -13.154 -14.048
  275   1HD1  LEU  36          1HD1      LEU  36   4.357 -10.755 -12.784
  276   2HD1  LEU  36          2HD1      LEU  36   4.775 -12.347 -12.154
  277   3HD1  LEU  36          3HD1      LEU  36   5.080 -11.962 -13.847
  278   1HD2  LEU  36          1HD2      LEU  36   2.735 -13.732 -11.799
  279   2HD2  LEU  36          2HD2      LEU  36   2.371 -12.066 -11.355
  280   3HD2  LEU  36          3HD2      LEU  36   1.250 -12.974 -12.371
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  -3.256 -13.409 -19.481
    2   2H    GLY   1          2H        GLY   1  -4.663 -12.935 -18.663
    3   3H    GLY   1          3H        GLY   1  -3.172 -12.931 -17.855
    4   1HA   GLY   1          2HA       GLY   1  -2.411 -11.242 -19.563
    5   2HA   GLY   1          1HA       GLY   1  -4.118 -11.096 -19.974
    6    H    SER   2           H        SER   2  -5.236  -9.609 -18.899
    7    HA   SER   2           HA       SER   2  -4.106  -8.303 -16.591
    8   1HB   SER   2          2HB       SER   2  -6.799  -7.491 -17.001
    9   2HB   SER   2          1HB       SER   2  -5.328  -6.609 -17.415
   10    HG   SER   2           HG       SER   2  -7.112  -7.695 -19.058
   11    HA   PRO   3           HA       PRO   3  -6.335 -11.281 -14.037
   12   1HB   PRO   3          2HB       PRO   3  -4.504 -10.801 -11.921
   13   2HB   PRO   3          1HB       PRO   3  -4.484 -12.143 -13.065
   14   1HG   PRO   3          2HG       PRO   3  -2.567 -10.131 -12.901
   15   2HG   PRO   3          1HG       PRO   3  -2.813 -11.212 -14.284
   16   1HD   PRO   3          2HD       PRO   3  -3.753  -8.404 -13.873
   17   2HD   PRO   3          1HD       PRO   3  -3.170  -9.198 -15.354
   18    HA   PRO   4           HA       PRO   4  -8.736  -8.446 -11.593
   19   1HB   PRO   4          2HB       PRO   4  -9.853 -10.254  -9.869
   20   2HB   PRO   4          1HB       PRO   4 -10.414  -9.996 -11.523
   21   1HG   PRO   4          2HG       PRO   4  -8.639 -12.142 -10.436
   22   2HG   PRO   4          1HG       PRO   4  -9.935 -12.263 -11.640
   23   1HD   PRO   4          2HD       PRO   4  -7.309 -12.211 -12.308
   24   2HD   PRO   4          1HD       PRO   4  -8.575 -11.539 -13.355
   25    H    LEU   5           H        LEU   5  -8.268 -10.765  -9.026
   26    HA   LEU   5           HA       LEU   5  -5.981  -9.458  -7.881
   27   1HB   LEU   5          2HB       LEU   5  -8.361  -8.240  -7.420
   28   2HB   LEU   5          1HB       LEU   5  -8.321  -9.377  -6.092
   29    HG   LEU   5           HG       LEU   5  -6.430  -8.376  -5.139
   30   1HD1  LEU   5          1HD1      LEU   5  -5.357  -8.189  -7.514
   31   2HD1  LEU   5          2HD1      LEU   5  -5.956  -6.531  -7.419
   32   3HD1  LEU   5          3HD1      LEU   5  -4.832  -7.132  -6.202
   33   1HD2  LEU   5          1HD2      LEU   5  -8.513  -6.560  -6.116
   34   2HD2  LEU   5          2HD2      LEU   5  -7.926  -6.840  -4.477
   35   3HD2  LEU   5          3HD2      LEU   5  -7.031  -5.780  -5.569
   36    HA   PRO   6           HA       PRO   6  -5.821 -13.629  -6.264
   37   1HB   PRO   6          2HB       PRO   6  -3.735 -12.641  -4.442
   38   2HB   PRO   6          1HB       PRO   6  -3.618 -13.845  -5.726
   39   1HG   PRO   6          2HG       PRO   6  -2.482 -11.424  -5.961
   40   2HG   PRO   6          1HG       PRO   6  -3.192 -12.263  -7.357
   41   1HD   PRO   6          2HD       PRO   6  -4.354 -10.062  -5.680
   42   2HD   PRO   6          1HD       PRO   6  -4.343 -10.245  -7.442
   43    HA   PRO   7           HA       PRO   7  -8.287 -13.818  -2.653
   44   1HB   PRO   7          2HB       PRO   7  -6.299 -15.723  -1.517
   45   2HB   PRO   7          1HB       PRO   7  -8.045 -15.912  -1.730
   46   1HG   PRO   7          2HG       PRO   7  -6.354 -17.142  -3.359
   47   2HG   PRO   7          1HG       PRO   7  -7.843 -16.415  -3.987
   48   1HD   PRO   7          2HD       PRO   7  -5.028 -15.419  -4.145
   49   2HD   PRO   7          1HD       PRO   7  -6.326 -15.333  -5.353
   50    H    GLY   8           H        GLY   8  -8.350 -12.158  -1.283
   51   1HA   GLY   8          1HA       GLY   8  -7.893 -11.551   1.005
   52   2HA   GLY   8          2HA       GLY   8  -6.225 -12.033   0.752
   53    H    TRP   9           H        TRP   9  -6.530 -10.542  -1.965
   54    HA   TRP   9           HA       TRP   9  -5.347  -8.129  -0.920
   55   1HB   TRP   9          2HB       TRP   9  -5.856  -9.114  -3.720
   56   2HB   TRP   9          1HB       TRP   9  -5.101  -7.561  -3.373
   57    HD1  TRP   9           HD       TRP   9  -4.457 -11.305  -3.259
   58    HE1  TRP   9           1HE      TRP   9  -1.939 -11.717  -2.940
   59    HE3  TRP   9           3HE      TRP   9  -2.986  -6.499  -2.389
   60    HZ2  TRP   9           2HZ      TRP   9   0.369 -10.190  -2.353
   61    HZ3  TRP   9           3HZ      TRP   9  -0.618  -6.066  -1.948
   62    HH2  TRP   9           HH       TRP   9   1.035  -7.861  -1.937
   63    H    GLU  10           H        GLU  10  -6.160  -6.084  -0.942
   64    HA   GLU  10           HA       GLU  10  -8.876  -5.706  -2.020
   65   1HB   GLU  10          2HB       GLU  10  -8.026  -5.619   0.725
   66   2HB   GLU  10          1HB       GLU  10  -8.585  -4.028   0.228
   67   1HG   GLU  10          2HG       GLU  10 -10.727  -4.737  -0.119
   68   2HG   GLU  10          1HG       GLU  10 -10.245  -6.402  -0.433
   69    H    GLU  11           H        GLU  11  -9.201  -3.843  -3.114
   70    HA   GLU  11           HA       GLU  11  -6.927  -2.082  -3.517
   71   1HB   GLU  11          2HB       GLU  11  -8.658  -2.938  -5.290
   72   2HB   GLU  11          1HB       GLU  11  -9.638  -1.604  -4.702
   73   1HG   GLU  11          2HG       GLU  11  -7.747  -0.076  -5.204
   74   2HG   GLU  11          1HG       GLU  11  -6.901  -1.439  -5.932
   75    H    LYS  12           H        LYS  12  -6.572  -0.419  -2.236
   76    HA   LYS  12           HA       LYS  12  -8.861   1.050  -1.110
   77   1HB   LYS  12          2HB       LYS  12  -6.999  -0.543   0.332
   78   2HB   LYS  12          1HB       LYS  12  -6.650   1.139   0.702
   79   1HG   LYS  12          2HG       LYS  12  -8.419   1.299   2.019
   80   2HG   LYS  12          1HG       LYS  12  -9.479   0.617   0.786
   81   1HD   LYS  12          2HD       LYS  12  -9.462  -1.406   1.743
   82   2HD   LYS  12          1HD       LYS  12  -7.713  -1.360   1.989
   83   1HE   LYS  12          2HE       LYS  12  -8.276  -1.265   4.169
   84   2HE   LYS  12          1HE       LYS  12  -8.520   0.448   3.829
   85   1HZ   LYS  12          1HZ       LYS  12 -10.391  -0.578   5.016
   86   2HZ   LYS  12          2HZ       LYS  12 -10.653  -1.619   3.695
   87   3HZ   LYS  12          3HZ       LYS  12 -10.854   0.051   3.508
   88    H    VAL  13           H        VAL  13  -8.043   3.224  -0.167
   89    HA   VAL  13           HA       VAL  13  -5.705   4.165  -1.693
   90    HB   VAL  13           HB       VAL  13  -8.378   5.325  -1.545
   91   1HG1  VAL  13          1HG1      VAL  13  -6.063   7.185  -1.041
   92   2HG1  VAL  13          2HG1      VAL  13  -7.744   7.649  -1.328
   93   3HG1  VAL  13          3HG1      VAL  13  -7.307   6.773   0.145
   94   1HG2  VAL  13          1HG2      VAL  13  -6.098   6.321  -3.197
   95   2HG2  VAL  13          2HG2      VAL  13  -6.838   4.756  -3.539
   96   3HG2  VAL  13          3HG2      VAL  13  -7.812   6.226  -3.603
   97    H    ASP  14           H        ASP  14  -4.153   5.226  -0.583
   98    HA   ASP  14           HA       ASP  14  -4.173   4.844   2.266
   99   1HB   ASP  14          2HB       ASP  14  -1.897   5.044   2.162
  100   2HB   ASP  14          1HB       ASP  14  -2.221   4.606   0.488
  101    H    ASN  15           H        ASN  15  -2.825   6.763   3.416
  102    HA   ASN  15           HA       ASN  15  -4.660   8.789   3.936
  103   1HB   ASN  15          2HB       ASN  15  -3.291   8.846   5.702
  104   2HB   ASN  15          1HB       ASN  15  -2.019   8.017   4.815
  105   1HD2  ASN  15          1HD2      ASN  15  -0.324   9.177   4.012
  106   2HD2  ASN  15          2HD2      ASN  15  -0.097  10.864   4.301
  107    H    LEU  16           H        LEU  16  -1.950   8.706   1.688
  108    HA   LEU  16           HA       LEU  16  -2.155  11.528   1.121
  109   1HB   LEU  16          2HB       LEU  16  -0.238   9.468   0.748
  110   2HB   LEU  16          1HB       LEU  16  -0.604  10.151  -0.825
  111    HG   LEU  16           HG       LEU  16   0.739  11.866  -0.413
  112   1HD1  LEU  16          1HD1      LEU  16  -1.095  12.288   1.910
  113   2HD1  LEU  16          2HD1      LEU  16   0.332  13.302   1.691
  114   3HD1  LEU  16          3HD1      LEU  16  -0.912  13.248   0.442
  115   1HD2  LEU  16          1HD2      LEU  16   2.092  10.332   0.833
  116   2HD2  LEU  16          2HD2      LEU  16   2.112  11.899   1.644
  117   3HD2  LEU  16          3HD2      LEU  16   1.118  10.589   2.283
  118    H    GLY  17           H        GLY  17  -2.960   8.475  -0.537
  119   1HA   GLY  17          1HA       GLY  17  -5.240   8.744  -1.609
  120   2HA   GLY  17          2HA       GLY  17  -4.515  10.104  -2.447
  121    H    ARG  18           H        ARG  18  -2.623   7.212  -1.891
  122    HA   ARG  18           HA       ARG  18  -2.737   6.691  -4.780
  123   1HB   ARG  18          2HB       ARG  18  -0.879   5.451  -2.703
  124   2HB   ARG  18          1HB       ARG  18  -0.868   5.124  -4.417
  125   1HG   ARG  18          2HG       ARG  18   0.884   6.570  -4.121
  126   2HG   ARG  18          1HG       ARG  18  -0.407   7.610  -4.729
  127   1HD   ARG  18          2HD       ARG  18  -0.320   7.358  -1.817
  128   2HD   ARG  18          1HD       ARG  18   1.126   8.086  -2.517
  129    HE   ARG  18           HE       ARG  18  -1.609   9.118  -2.729
  130   1HH1  ARG  18          2HH1      ARG  18   1.842   9.559  -3.154
  131   2HH1  ARG  18          1HH1      ARG  18   1.712  11.278  -3.396
  132   1HH2  ARG  18          2HH2      ARG  18  -1.762  11.396  -3.041
  133   2HH2  ARG  18          1HH2      ARG  18  -0.313  12.311  -3.334
  134    H    THR  19           H        THR  19  -3.878   5.039  -5.575
  135    HA   THR  19           HA       THR  19  -5.469   3.458  -3.794
  136    HB   THR  19           HB       THR  19  -5.248   2.692  -6.654
  137    HG1  THR  19           1HG      THR  19  -6.796   4.971  -6.148
  138   1HG2  THR  19          1HG2      THR  19  -6.992   1.598  -5.605
  139   2HG2  THR  19          2HG2      THR  19  -7.823   2.991  -6.297
  140   3HG2  THR  19          3HG2      THR  19  -7.388   2.983  -4.586
  141    H    TYR  20           H        TYR  20  -4.251   2.076  -2.606
  142    HA   TYR  20           HA       TYR  20  -2.312   0.413  -4.028
  143   1HB   TYR  20          2HB       TYR  20  -1.126   0.114  -1.990
  144   2HB   TYR  20          1HB       TYR  20  -1.497   1.826  -2.098
  145    HD1  TYR  20           1HD      TYR  20  -3.735   2.544  -0.844
  146    HD2  TYR  20           2HD      TYR  20  -1.522  -0.999  -0.038
  147    HE1  TYR  20           1HE      TYR  20  -4.732   2.443   1.399
  148    HE2  TYR  20           2HE      TYR  20  -2.519  -1.114   2.206
  149    HH   TYR  20           HH       TYR  20  -3.920   1.360   3.719
  150    H    TYR  21           H        TYR  21  -1.997  -1.788  -3.053
  151    HA   TYR  21           HA       TYR  21  -4.665  -2.987  -2.751
  152   1HB   TYR  21          2HB       TYR  21  -2.207  -4.083  -4.154
  153   2HB   TYR  21          1HB       TYR  21  -3.664  -5.014  -3.851
  154    HD1  TYR  21           1HD      TYR  21  -3.889  -1.468  -4.803
  155    HD2  TYR  21           2HD      TYR  21  -3.994  -5.471  -6.220
  156    HE1  TYR  21           1HE      TYR  21  -4.873  -0.685  -6.910
  157    HE2  TYR  21           2HE      TYR  21  -4.983  -4.698  -8.333
  158    HH   TYR  21           HH       TYR  21  -6.379  -1.733  -8.727
  159    H    VAL  22           H        VAL  22  -4.903  -3.506  -0.708
  160    HA   VAL  22           HA       VAL  22  -2.575  -4.295   0.863
  161    HB   VAL  22           HB       VAL  22  -3.860  -2.582   1.897
  162   1HG1  VAL  22          1HG1      VAL  22  -5.957  -2.800   0.768
  163   2HG1  VAL  22          2HG1      VAL  22  -6.260  -4.359   1.534
  164   3HG1  VAL  22          3HG1      VAL  22  -6.240  -2.886   2.504
  165   1HG2  VAL  22          1HG2      VAL  22  -4.681  -3.775   3.989
  166   2HG2  VAL  22          2HG2      VAL  22  -4.218  -5.272   3.180
  167   3HG2  VAL  22          3HG2      VAL  22  -3.001  -4.041   3.519
  168    H    ASN  23           H        ASN  23  -2.116  -6.341   1.072
  169    HA   ASN  23           HA       ASN  23  -4.020  -8.410   0.515
  170   1HB   ASN  23          2HB       ASN  23  -1.661  -8.697  -0.035
  171   2HB   ASN  23          1HB       ASN  23  -1.228  -8.527   1.659
  172   1HD2  ASN  23          1HD2      ASN  23  -2.708 -10.578  -0.726
  173   2HD2  ASN  23          2HD2      ASN  23  -2.624 -12.046   0.195
  174    H    HIS  24           H        HIS  24  -5.073  -9.754   2.000
  175    HA   HIS  24           HA       HIS  24  -5.046  -8.752   4.763
  176   1HB   HIS  24          2HB       HIS  24  -7.149  -9.970   3.044
  177   2HB   HIS  24          1HB       HIS  24  -7.244 -10.244   4.780
  178    HD1  HIS  24           1HD      HIS  24  -9.154  -8.762   5.398
  179    HD2  HIS  24           2HD      HIS  24  -6.302  -6.802   3.092
  180    HE1  HIS  24           1HE      HIS  24  -9.853  -6.349   5.363
  181    HE2  HIS  24           2HE      HIS  24  -8.278  -5.260   3.734
  182    H    ASN  25           H        ASN  25  -3.806 -11.255   3.009
  183    HA   ASN  25           HA       ASN  25  -4.234 -13.363   4.956
  184   1HB   ASN  25          2HB       ASN  25  -3.580 -13.274   2.225
  185   2HB   ASN  25          1HB       ASN  25  -2.139 -13.902   3.018
  186   1HD2  ASN  25          1HD2      ASN  25  -5.608 -14.385   2.615
  187   2HD2  ASN  25          2HD2      ASN  25  -5.583 -16.079   2.942
  188    H    ASN  26           H        ASN  26  -1.252 -12.096   3.481
  189    HA   ASN  26           HA       ASN  26   0.088 -12.366   6.082
  190   1HB   ASN  26          2HB       ASN  26   0.994 -13.373   3.846
  191   2HB   ASN  26          1HB       ASN  26   1.507 -11.721   3.512
  192   1HD2  ASN  26          1HD2      ASN  26   3.665 -11.971   3.677
  193   2HD2  ASN  26          2HD2      ASN  26   4.488 -12.460   5.129
  194    H    ARG  27           H        ARG  27  -1.380 -10.137   4.127
  195    HA   ARG  27           HA       ARG  27  -1.780  -7.938   4.351
  196   1HB   ARG  27          2HB       ARG  27  -0.064  -8.026   6.829
  197   2HB   ARG  27          1HB       ARG  27  -1.184  -6.749   6.368
  198   1HG   ARG  27          2HG       ARG  27  -2.385  -9.415   6.508
  199   2HG   ARG  27          1HG       ARG  27  -1.776  -8.794   8.045
  200   1HD   ARG  27          2HD       ARG  27  -3.037  -6.608   7.057
  201   2HD   ARG  27          1HD       ARG  27  -4.043  -7.901   6.402
  202    HE   ARG  27           HE       ARG  27  -4.139  -8.710   8.807
  203   1HH1  ARG  27          2HH1      ARG  27  -3.764  -5.333   7.950
  204   2HH1  ARG  27          1HH1      ARG  27  -4.498  -4.749   9.411
  205   1HH2  ARG  27          2HH2      ARG  27  -5.110  -7.941  10.723
  206   2HH2  ARG  27          1HH2      ARG  27  -5.282  -6.237  10.979
  207    H    SER  28           H        SER  28   0.284  -8.733   2.646
  208    HA   SER  28           HA       SER  28   2.369  -6.804   2.720
  209   1HB   SER  28          2HB       SER  28   1.627  -7.604   0.037
  210   2HB   SER  28          1HB       SER  28   3.084  -8.000   0.952
  211    HG   SER  28           HG       SER  28   2.266  -9.880   1.459
  212    H    THR  29           H        THR  29   2.353  -4.689   2.057
  213    HA   THR  29           HA       THR  29  -0.208  -3.682   0.990
  214    HB   THR  29           HB       THR  29   0.760  -1.501   2.229
  215    HG1  THR  29           1HG      THR  29   2.388  -2.082   3.458
  216   1HG2  THR  29          1HG2      THR  29  -1.389  -3.072   2.553
  217   2HG2  THR  29          2HG2      THR  29  -0.986  -1.757   3.659
  218   3HG2  THR  29          3HG2      THR  29  -0.550  -3.418   4.065
  219    H    GLN  30           H        GLN  30   0.797  -3.952  -1.159
  220    HA   GLN  30           HA       GLN  30   2.732  -1.822  -1.758
  221   1HB   GLN  30          2HB       GLN  30   3.003  -3.046  -3.958
  222   2HB   GLN  30          1HB       GLN  30   3.612  -3.872  -2.532
  223   1HG   GLN  30          2HG       GLN  30   1.472  -5.172  -2.492
  224   2HG   GLN  30          1HG       GLN  30   1.082  -4.450  -4.045
  225   1HE2  GLN  30          1HE2      GLN  30   1.285  -5.998  -5.458
  226   2HE2  GLN  30          2HE2      GLN  30   2.637  -7.064  -5.602
  227    H    TRP  31           H        TRP  31   2.316  -0.373  -3.520
  228    HA   TRP  31           HA       TRP  31  -0.503   0.100  -3.864
  229   1HB   TRP  31          2HB       TRP  31   1.391   1.788  -5.377
  230   2HB   TRP  31          1HB       TRP  31  -0.011   2.238  -4.425
  231    HD1  TRP  31           HD       TRP  31   3.624   1.159  -3.846
  232    HE1  TRP  31           1HE      TRP  31   4.519   2.333  -1.747
  233    HE3  TRP  31           3HE      TRP  31  -0.628   3.531  -2.459
  234    HZ2  TRP  31           2HZ      TRP  31   3.530   4.085   0.231
  235    HZ3  TRP  31           3HZ      TRP  31  -0.584   4.969  -0.475
  236    HH2  TRP  31           HH       TRP  31   1.448   5.233   0.857
  237    H    HIS  32           H        HIS  32   1.309  -2.037  -5.317
  238    HA   HIS  32           HA       HIS  32   0.076  -1.572  -7.945
  239   1HB   HIS  32          2HB       HIS  32   2.082  -3.066  -8.765
  240   2HB   HIS  32          1HB       HIS  32   2.277  -1.332  -8.562
  241    HD1  HIS  32           1HD      HIS  32   3.400  -4.611  -7.180
  242    HD2  HIS  32           2HD      HIS  32   3.955  -0.553  -6.447
  243    HE1  HIS  32           1HE      HIS  32   5.307  -4.468  -5.550
  244    HE2  HIS  32           2HE      HIS  32   5.775  -1.997  -5.315
  245    H    ARG  33           H        ARG  33  -0.883  -3.288  -8.950
  246    HA   ARG  33           HA       ARG  33  -1.917  -5.369  -7.394
  247   1HB   ARG  33          2HB       ARG  33  -2.958  -4.502  -9.454
  248   2HB   ARG  33          1HB       ARG  33  -1.660  -5.214 -10.401
  249   1HG   ARG  33          2HG       ARG  33  -2.348  -7.439  -9.729
  250   2HG   ARG  33          1HG       ARG  33  -3.607  -6.756  -8.697
  251   1HD   ARG  33          2HD       ARG  33  -4.319  -7.606 -10.992
  252   2HD   ARG  33          1HD       ARG  33  -4.852  -5.991 -10.527
  253    HE   ARG  33           HE       ARG  33  -2.383  -5.951 -11.988
  254   1HH1  ARG  33          2HH1      ARG  33  -5.869  -6.139 -12.318
  255   2HH1  ARG  33          1HH1      ARG  33  -5.882  -5.465 -13.915
  256   1HH2  ARG  33          2HH2      ARG  33  -2.386  -5.103 -14.101
  257   2HH2  ARG  33          1HH2      ARG  33  -3.897  -4.892 -14.947
  258    HA   PRO  34           HA       PRO  34   1.584  -8.119  -7.339
  259   1HB   PRO  34          2HB       PRO  34   0.328 -10.145  -6.042
  260   2HB   PRO  34          1HB       PRO  34   0.910  -8.687  -5.228
  261   1HG   PRO  34          2HG       PRO  34  -1.849  -9.397  -6.114
  262   2HG   PRO  34          1HG       PRO  34  -1.322  -8.598  -4.629
  263   1HD   PRO  34          2HD       PRO  34  -2.376  -7.267  -6.745
  264   2HD   PRO  34          1HD       PRO  34  -1.199  -6.545  -5.630
  265    H    SER  35           H        SER  35   0.580  -8.100  -9.854
  266    HA   SER  35           HA       SER  35   1.021 -10.769 -10.671
  267   1HB   SER  35          2HB       SER  35  -1.426 -10.278 -12.008
  268   2HB   SER  35          1HB       SER  35  -1.061 -11.585 -10.882
  269    HG   SER  35           HG       SER  35  -1.675 -10.188  -9.183
  270    H    LEU  36           H        LEU  36  -0.624  -7.952 -11.756
  271    HA   LEU  36           HA       LEU  36   1.372  -7.200 -13.647
  272   1HB   LEU  36          2HB       LEU  36  -0.154  -9.128 -14.645
  273   2HB   LEU  36          1HB       LEU  36  -1.256  -7.796 -14.927
  274    HG   LEU  36           HG       LEU  36   0.214  -6.744 -16.439
  275   1HD1  LEU  36          1HD1      LEU  36   2.243  -7.581 -14.845
  276   2HD1  LEU  36          2HD1      LEU  36   2.454  -8.628 -16.247
  277   3HD1  LEU  36          3HD1      LEU  36   2.454  -6.876 -16.447
  278   1HD2  LEU  36          1HD2      LEU  36   0.245  -9.726 -16.807
  279   2HD2  LEU  36          2HD2      LEU  36  -0.871  -8.552 -17.504
  280   3HD2  LEU  36          3HD2      LEU  36   0.809  -8.595 -18.036
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   2.953 -15.104  -8.528
    2   2H    GLY   1          2H        GLY   1   1.545 -16.044  -8.442
    3   3H    GLY   1          3H        GLY   1   2.171 -15.322  -7.041
    4   1HA   GLY   1          2HA       GLY   1   0.547 -13.823  -7.487
    5   2HA   GLY   1          1HA       GLY   1   1.860 -13.136  -8.436
    6    H    SER   2           H        SER   2  -0.806 -12.618  -9.039
    7    HA   SER   2           HA       SER   2  -1.019 -13.900 -11.659
    8   1HB   SER   2          2HB       SER   2  -3.634 -13.462 -10.420
    9   2HB   SER   2          1HB       SER   2  -3.013 -14.884 -11.264
   10    HG   SER   2           HG       SER   2  -3.111 -14.331  -8.571
   11    HA   PRO   3           HA       PRO   3  -1.714  -9.758 -13.133
   12   1HB   PRO   3          2HB       PRO   3  -3.623 -11.094 -14.985
   13   2HB   PRO   3          1HB       PRO   3  -2.301  -9.977 -15.340
   14   1HG   PRO   3          2HG       PRO   3  -2.015 -12.573 -15.816
   15   2HG   PRO   3          1HG       PRO   3  -0.677 -11.626 -15.140
   16   1HD   PRO   3          2HD       PRO   3  -2.525 -13.537 -13.771
   17   2HD   PRO   3          1HD       PRO   3  -0.784 -13.275 -13.524
   18    HA   PRO   4           HA       PRO   4  -6.393  -9.459 -12.117
   19   1HB   PRO   4          2HB       PRO   4  -7.443 -12.073 -11.456
   20   2HB   PRO   4          1HB       PRO   4  -7.976 -10.964 -12.720
   21   1HG   PRO   4          2HG       PRO   4  -6.764 -13.360 -13.222
   22   2HG   PRO   4          1HG       PRO   4  -6.699 -11.969 -14.321
   23   1HD   PRO   4          2HD       PRO   4  -4.650 -12.935 -12.361
   24   2HD   PRO   4          1HD       PRO   4  -4.428 -12.310 -14.009
   25    H    LEU   5           H        LEU   5  -7.411  -9.288 -10.023
   26    HA   LEU   5           HA       LEU   5  -5.552  -9.414  -7.915
   27   1HB   LEU   5          2HB       LEU   5  -7.919  -8.124  -8.378
   28   2HB   LEU   5          1HB       LEU   5  -8.375  -9.280  -7.143
   29    HG   LEU   5           HG       LEU   5  -6.748  -8.386  -5.610
   30   1HD1  LEU   5          1HD1      LEU   5  -4.863  -7.564  -6.468
   31   2HD1  LEU   5          2HD1      LEU   5  -5.613  -7.260  -8.034
   32   3HD1  LEU   5          3HD1      LEU   5  -5.760  -6.070  -6.742
   33   1HD2  LEU   5          1HD2      LEU   5  -7.549  -5.822  -5.912
   34   2HD2  LEU   5          2HD2      LEU   5  -8.742  -6.659  -6.909
   35   3HD2  LEU   5          3HD2      LEU   5  -8.551  -7.097  -5.211
   36    HA   PRO   6           HA       PRO   6  -6.278 -13.721  -6.800
   37   1HB   PRO   6          2HB       PRO   6  -4.137 -13.205  -4.861
   38   2HB   PRO   6          1HB       PRO   6  -4.171 -14.348  -6.204
   39   1HG   PRO   6          2HG       PRO   6  -2.606 -12.159  -6.241
   40   2HG   PRO   6          1HG       PRO   6  -3.350 -12.812  -7.713
   41   1HD   PRO   6          2HD       PRO   6  -4.220 -10.489  -6.025
   42   2HD   PRO   6          1HD       PRO   6  -4.136 -10.627  -7.797
   43    HA   PRO   7           HA       PRO   7  -8.722 -13.362  -3.105
   44   1HB   PRO   7          2HB       PRO   7  -7.419 -15.848  -2.146
   45   2HB   PRO   7          1HB       PRO   7  -9.132 -15.499  -2.396
   46   1HG   PRO   7          2HG       PRO   7  -7.800 -17.080  -4.076
   47   2HG   PRO   7          1HG       PRO   7  -9.025 -15.941  -4.670
   48   1HD   PRO   7          2HD       PRO   7  -6.042 -15.726  -4.734
   49   2HD   PRO   7          1HD       PRO   7  -7.230 -15.262  -5.970
   50    H    GLY   8           H        GLY   8  -8.523 -12.442  -1.124
   51   1HA   GLY   8          1HA       GLY   8  -7.474 -11.968   0.935
   52   2HA   GLY   8          2HA       GLY   8  -5.970 -12.638   0.303
   53    H    TRP   9           H        TRP   9  -6.973 -10.814  -2.147
   54    HA   TRP   9           HA       TRP   9  -5.379  -8.531  -1.235
   55   1HB   TRP   9          2HB       TRP   9  -6.044  -9.615  -3.961
   56   2HB   TRP   9          1HB       TRP   9  -5.386  -7.998  -3.747
   57    HD1  TRP   9           HD       TRP   9  -4.378 -11.629  -3.814
   58    HE1  TRP   9           1HE      TRP   9  -1.814 -11.807  -3.561
   59    HE3  TRP   9           3HE      TRP   9  -3.381  -6.800  -2.533
   60    HZ2  TRP   9           2HZ      TRP   9   0.337 -10.097  -2.898
   61    HZ3  TRP   9           3HZ      TRP   9  -1.054  -6.148  -2.101
   62    HH2  TRP   9           HH       TRP   9   0.772  -7.753  -2.290
   63    H    GLU  10           H        GLU  10  -6.159  -6.506  -1.147
   64    HA   GLU  10           HA       GLU  10  -8.877  -5.995  -2.148
   65   1HB   GLU  10          2HB       GLU  10  -8.832  -6.560   0.321
   66   2HB   GLU  10          1HB       GLU  10  -7.888  -5.099   0.561
   67   1HG   GLU  10          2HG       GLU  10  -9.954  -4.082  -0.802
   68   2HG   GLU  10          1HG       GLU  10 -10.753  -5.439  -0.010
   69    H    GLU  11           H        GLU  11  -9.137  -3.992  -3.055
   70    HA   GLU  11           HA       GLU  11  -6.810  -2.324  -3.388
   71   1HB   GLU  11          2HB       GLU  11  -8.720  -2.780  -5.080
   72   2HB   GLU  11          1HB       GLU  11  -9.605  -1.556  -4.183
   73   1HG   GLU  11          2HG       GLU  11  -7.688   0.000  -4.609
   74   2HG   GLU  11          1HG       GLU  11  -7.029  -1.229  -5.688
   75    H    LYS  12           H        LYS  12  -6.180  -0.941  -1.882
   76    HA   LYS  12           HA       LYS  12  -8.222   0.406  -0.244
   77   1HB   LYS  12          2HB       LYS  12  -5.936  -1.244   0.585
   78   2HB   LYS  12          1HB       LYS  12  -6.090   0.266   1.457
   79   1HG   LYS  12          2HG       LYS  12  -8.653  -0.692   1.475
   80   2HG   LYS  12          1HG       LYS  12  -7.687  -2.162   1.614
   81   1HD   LYS  12          2HD       LYS  12  -6.433  -1.065   3.479
   82   2HD   LYS  12          1HD       LYS  12  -7.587   0.268   3.399
   83   1HE   LYS  12          2HE       LYS  12  -8.008  -2.555   4.279
   84   2HE   LYS  12          1HE       LYS  12  -8.477  -1.056   5.075
   85   1HZ   LYS  12          1HZ       LYS  12  -9.936  -0.863   2.888
   86   2HZ   LYS  12          2HZ       LYS  12 -10.485  -1.672   4.273
   87   3HZ   LYS  12          3HZ       LYS  12  -9.843  -2.555   2.975
   88    H    VAL  13           H        VAL  13  -7.977   2.546  -0.052
   89    HA   VAL  13           HA       VAL  13  -5.710   3.730  -1.457
   90    HB   VAL  13           HB       VAL  13  -8.479   4.432  -1.268
   91   1HG1  VAL  13          1HG1      VAL  13  -7.960   6.973  -1.102
   92   2HG1  VAL  13          2HG1      VAL  13  -8.242   6.033   0.367
   93   3HG1  VAL  13          3HG1      VAL  13  -6.594   6.431  -0.126
   94   1HG2  VAL  13          1HG2      VAL  13  -6.914   4.319  -3.259
   95   2HG2  VAL  13          2HG2      VAL  13  -8.043   5.675  -3.205
   96   3HG2  VAL  13          3HG2      VAL  13  -6.351   5.915  -2.765
   97    H    ASP  14           H        ASP  14  -4.142   4.803  -0.494
   98    HA   ASP  14           HA       ASP  14  -4.180   5.231   2.368
   99   1HB   ASP  14          2HB       ASP  14  -2.081   4.521   1.440
  100   2HB   ASP  14          1HB       ASP  14  -2.129   5.781   0.212
  101    H    ASN  15           H        ASN  15  -3.800   7.407   3.290
  102    HA   ASN  15           HA       ASN  15  -5.773   9.162   2.244
  103   1HB   ASN  15          2HB       ASN  15  -5.402  10.533   4.155
  104   2HB   ASN  15          1HB       ASN  15  -5.256   8.860   4.682
  105   1HD2  ASN  15          1HD2      ASN  15  -3.745  11.896   4.469
  106   2HD2  ASN  15          2HD2      ASN  15  -2.207  11.430   5.117
  107    H    LEU  16           H        LEU  16  -2.478   8.859   1.481
  108    HA   LEU  16           HA       LEU  16  -2.115  11.601   0.647
  109   1HB   LEU  16          2HB       LEU  16  -0.448   9.403   0.996
  110   2HB   LEU  16          1HB       LEU  16  -0.480   9.632  -0.742
  111    HG   LEU  16           HG       LEU  16  -0.074  12.190   0.192
  112   1HD1  LEU  16          1HD1      LEU  16   0.800  10.287   2.208
  113   2HD1  LEU  16          2HD1      LEU  16   2.101  11.335   1.637
  114   3HD1  LEU  16          3HD1      LEU  16   0.626  12.041   2.301
  115   1HD2  LEU  16          1HD2      LEU  16   2.454  11.033  -0.266
  116   2HD2  LEU  16          2HD2      LEU  16   1.306  10.179  -1.296
  117   3HD2  LEU  16          3HD2      LEU  16   1.449  11.933  -1.403
  118    H    GLY  17           H        GLY  17  -3.945   9.049  -0.470
  119   1HA   GLY  17          1HA       GLY  17  -5.387   9.164  -2.322
  120   2HA   GLY  17          2HA       GLY  17  -4.337  10.379  -3.044
  121    H    ARG  18           H        ARG  18  -3.174   7.351  -1.733
  122    HA   ARG  18           HA       ARG  18  -2.451   6.557  -4.472
  123   1HB   ARG  18          2HB       ARG  18  -0.975   5.148  -2.385
  124   2HB   ARG  18          1HB       ARG  18  -0.380   5.993  -3.800
  125   1HG   ARG  18          2HG       ARG  18  -1.261   7.931  -1.920
  126   2HG   ARG  18          1HG       ARG  18  -0.216   6.774  -1.095
  127   1HD   ARG  18          2HD       ARG  18   1.165   8.529  -1.946
  128   2HD   ARG  18          1HD       ARG  18   1.454   7.095  -2.931
  129    HE   ARG  18           HE       ARG  18  -0.367   9.239  -3.818
  130   1HH1  ARG  18          2HH1      ARG  18   2.374   7.123  -4.363
  131   2HH1  ARG  18          1HH1      ARG  18   2.579   7.616  -6.021
  132   1HH2  ARG  18          2HH2      ARG  18  -0.112   9.881  -5.998
  133   2HH2  ARG  18          1HH2      ARG  18   1.169   9.181  -6.953
  134    H    THR  19           H        THR  19  -4.014   5.231  -5.111
  135    HA   THR  19           HA       THR  19  -5.346   3.357  -3.463
  136    HB   THR  19           HB       THR  19  -5.185   2.692  -6.325
  137    HG1  THR  19           1HG      THR  19  -6.593   4.662  -6.717
  138   1HG2  THR  19          1HG2      THR  19  -6.885   1.982  -4.485
  139   2HG2  THR  19          2HG2      THR  19  -7.469   2.341  -6.109
  140   3HG2  THR  19          3HG2      THR  19  -7.635   3.542  -4.828
  141    H    TYR  20           H        TYR  20  -3.912   2.012  -2.389
  142    HA   TYR  20           HA       TYR  20  -2.136   0.443  -4.088
  143   1HB   TYR  20          2HB       TYR  20  -0.913  -0.192  -2.081
  144   2HB   TYR  20          1HB       TYR  20  -1.033   1.554  -2.190
  145    HD1  TYR  20           1HD      TYR  20  -2.395   2.815  -0.595
  146    HD2  TYR  20           2HD      TYR  20  -2.005  -1.412  -0.288
  147    HE1  TYR  20           1HE      TYR  20  -3.245   2.909   1.708
  148    HE2  TYR  20           2HE      TYR  20  -2.860  -1.327   2.012
  149    HH   TYR  20           HH       TYR  20  -3.278   1.674   3.708
  150    H    TYR  21           H        TYR  21  -1.825  -1.862  -3.151
  151    HA   TYR  21           HA       TYR  21  -4.524  -2.956  -2.806
  152   1HB   TYR  21          2HB       TYR  21  -2.240  -3.962  -4.512
  153   2HB   TYR  21          1HB       TYR  21  -3.644  -4.951  -4.103
  154    HD1  TYR  21           1HD      TYR  21  -5.609  -4.787  -5.368
  155    HD2  TYR  21           2HD      TYR  21  -2.683  -1.720  -5.697
  156    HE1  TYR  21           1HE      TYR  21  -6.890  -3.769  -7.202
  157    HE2  TYR  21           2HE      TYR  21  -3.953  -0.696  -7.536
  158    HH   TYR  21           HH       TYR  21  -6.997  -1.139  -8.134
  159    H    VAL  22           H        VAL  22  -4.778  -3.836  -0.968
  160    HA   VAL  22           HA       VAL  22  -2.419  -4.554   0.613
  161    HB   VAL  22           HB       VAL  22  -3.960  -2.731   1.407
  162   1HG1  VAL  22          1HG1      VAL  22  -6.101  -3.126   2.177
  163   2HG1  VAL  22          2HG1      VAL  22  -6.031  -4.041   0.671
  164   3HG1  VAL  22          3HG1      VAL  22  -5.868  -4.874   2.217
  165   1HG2  VAL  22          1HG2      VAL  22  -3.622  -3.200   3.608
  166   2HG2  VAL  22          2HG2      VAL  22  -4.068  -4.900   3.432
  167   3HG2  VAL  22          3HG2      VAL  22  -2.496  -4.335   2.860
  168    H    ASN  23           H        ASN  23  -2.126  -6.597   1.274
  169    HA   ASN  23           HA       ASN  23  -4.154  -8.569   0.640
  170   1HB   ASN  23          2HB       ASN  23  -1.605  -8.931   0.399
  171   2HB   ASN  23          1HB       ASN  23  -1.611  -9.151   2.147
  172   1HD2  ASN  23          1HD2      ASN  23  -2.150 -10.595  -0.864
  173   2HD2  ASN  23          2HD2      ASN  23  -2.761 -12.111  -0.299
  174    H    HIS  24           H        HIS  24  -5.111  -9.945   2.270
  175    HA   HIS  24           HA       HIS  24  -5.401  -8.495   4.806
  176   1HB   HIS  24          2HB       HIS  24  -7.227 -10.200   3.180
  177   2HB   HIS  24          1HB       HIS  24  -7.474 -10.134   4.924
  178    HD1  HIS  24           1HD      HIS  24  -9.627  -8.778   4.860
  179    HD2  HIS  24           2HD      HIS  24  -6.452  -6.955   2.883
  180    HE1  HIS  24           1HE      HIS  24 -10.393  -6.430   4.366
  181    HE2  HIS  24           2HE      HIS  24  -8.541  -5.408   2.998
  182    H    ASN  25           H        ASN  25  -4.384 -11.508   3.461
  183    HA   ASN  25           HA       ASN  25  -4.336 -12.745   6.114
  184   1HB   ASN  25          2HB       ASN  25  -4.861 -14.628   5.035
  185   2HB   ASN  25          1HB       ASN  25  -4.897 -13.728   3.526
  186   1HD2  ASN  25          1HD2      ASN  25  -3.237 -13.927   2.099
  187   2HD2  ASN  25          2HD2      ASN  25  -1.969 -15.082   2.274
  188    H    ASN  26           H        ASN  26  -2.223 -11.678   3.513
  189    HA   ASN  26           HA       ASN  26   0.116 -12.260   5.198
  190   1HB   ASN  26          2HB       ASN  26   0.024 -12.909   2.713
  191   2HB   ASN  26          1HB       ASN  26   0.193 -11.191   2.378
  192   1HD2  ASN  26          1HD2      ASN  26   1.706 -13.988   3.825
  193   2HD2  ASN  26          2HD2      ASN  26   3.331 -13.372   3.795
  194    H    ARG  27           H        ARG  27  -1.877  -9.761   4.002
  195    HA   ARG  27           HA       ARG  27  -1.994  -7.535   4.252
  196   1HB   ARG  27          2HB       ARG  27  -0.220  -7.863   6.663
  197   2HB   ARG  27          1HB       ARG  27  -1.391  -6.587   6.341
  198   1HG   ARG  27          2HG       ARG  27  -2.371  -9.388   6.462
  199   2HG   ARG  27          1HG       ARG  27  -1.947  -8.571   7.969
  200   1HD   ARG  27          2HD       ARG  27  -3.625  -7.093   6.019
  201   2HD   ARG  27          1HD       ARG  27  -4.373  -8.419   6.906
  202    HE   ARG  27           HE       ARG  27  -3.268  -5.954   8.064
  203   1HH1  ARG  27          2HH1      ARG  27  -5.057  -8.940   8.415
  204   2HH1  ARG  27          1HH1      ARG  27  -5.708  -8.530   9.972
  205   1HH2  ARG  27          2HH2      ARG  27  -4.136  -5.374  10.097
  206   2HH2  ARG  27          1HH2      ARG  27  -5.209  -6.476  10.921
  207    H    SER  28           H        SER  28  -0.149  -8.208   2.378
  208    HA   SER  28           HA       SER  28   2.084  -6.401   2.674
  209   1HB   SER  28          2HB       SER  28   1.465  -7.137  -0.058
  210   2HB   SER  28          1HB       SER  28   2.876  -7.564   0.914
  211    HG   SER  28           HG       SER  28   2.064  -9.484   1.104
  212    H    THR  29           H        THR  29   2.230  -4.340   1.695
  213    HA   THR  29           HA       THR  29  -0.327  -3.266   0.700
  214    HB   THR  29           HB       THR  29   0.161  -1.144   1.897
  215    HG1  THR  29           1HG      THR  29   2.481  -1.714   2.141
  216   1HG2  THR  29          1HG2      THR  29  -1.419  -2.494   2.975
  217   2HG2  THR  29          2HG2      THR  29  -0.249  -2.102   4.238
  218   3HG2  THR  29          3HG2      THR  29  -0.206  -3.684   3.456
  219    H    GLN  30           H        GLN  30   0.588  -3.559  -1.398
  220    HA   GLN  30           HA       GLN  30   2.779  -1.715  -2.094
  221   1HB   GLN  30          2HB       GLN  30   2.676  -3.082  -4.316
  222   2HB   GLN  30          1HB       GLN  30   3.469  -3.780  -2.914
  223   1HG   GLN  30          2HG       GLN  30   2.203  -5.564  -3.252
  224   2HG   GLN  30          1HG       GLN  30   0.865  -4.605  -2.647
  225   1HE2  GLN  30          1HE2      GLN  30   2.172  -6.220  -5.281
  226   2HE2  GLN  30          2HE2      GLN  30   0.971  -5.808  -6.434
  227    H    TRP  31           H        TRP  31   2.467  -0.168  -3.718
  228    HA   TRP  31           HA       TRP  31  -0.327   0.202  -4.472
  229   1HB   TRP  31          2HB       TRP  31   1.235   2.433  -5.302
  230   2HB   TRP  31          1HB       TRP  31  -0.035   2.371  -4.111
  231    HD1  TRP  31           HD       TRP  31   3.724   1.631  -4.210
  232    HE1  TRP  31           1HE      TRP  31   4.780   2.471  -2.011
  233    HE3  TRP  31           3HE      TRP  31  -0.495   3.300  -1.929
  234    HZ2  TRP  31           2HZ      TRP  31   3.901   3.707   0.375
  235    HZ3  TRP  31           3HZ      TRP  31  -0.318   4.316   0.301
  236    HH2  TRP  31           HH       TRP  31   1.832   4.517   1.425
  237    H    HIS  32           H        HIS  32   1.568  -1.688  -5.831
  238    HA   HIS  32           HA       HIS  32   1.452  -0.399  -8.480
  239   1HB   HIS  32          2HB       HIS  32   3.362  -1.618  -9.210
  240   2HB   HIS  32          1HB       HIS  32   3.766  -0.878  -7.670
  241    HD1  HIS  32           1HD      HIS  32   4.356  -2.406  -5.738
  242    HD2  HIS  32           2HD      HIS  32   3.192  -4.456  -9.167
  243    HE1  HIS  32           1HE      HIS  32   4.967  -4.813  -5.333
  244    HE2  HIS  32           2HE      HIS  32   4.487  -5.971  -7.519
  245    H    ARG  33           H        ARG  33  -0.005  -2.659  -6.626
  246    HA   ARG  33           HA       ARG  33  -1.640  -4.162  -7.038
  247   1HB   ARG  33          2HB       ARG  33  -2.249  -2.478  -8.834
  248   2HB   ARG  33          1HB       ARG  33  -1.388  -3.504  -9.972
  249   1HG   ARG  33          2HG       ARG  33  -2.907  -5.333  -9.516
  250   2HG   ARG  33          1HG       ARG  33  -3.738  -4.363  -8.300
  251   1HD   ARG  33          2HD       ARG  33  -5.086  -4.187 -10.204
  252   2HD   ARG  33          1HD       ARG  33  -4.164  -2.686 -10.176
  253    HE   ARG  33           HE       ARG  33  -3.180  -3.291 -12.147
  254   1HH1  ARG  33          2HH1      ARG  33  -4.662  -6.124 -10.724
  255   2HH1  ARG  33          1HH1      ARG  33  -4.379  -7.134 -12.106
  256   1HH2  ARG  33          2HH2      ARG  33  -2.820  -4.600 -13.982
  257   2HH2  ARG  33          1HH2      ARG  33  -3.352  -6.259 -13.973
  258    HA   PRO  34           HA       PRO  34   0.641  -7.898  -7.920
  259   1HB   PRO  34          2HB       PRO  34  -2.069  -9.094  -7.977
  260   2HB   PRO  34          1HB       PRO  34  -0.669  -9.528  -6.990
  261   1HG   PRO  34          2HG       PRO  34  -2.778  -8.256  -5.936
  262   2HG   PRO  34          1HG       PRO  34  -1.125  -7.911  -5.397
  263   1HD   PRO  34          2HD       PRO  34  -2.902  -6.329  -7.208
  264   2HD   PRO  34          1HD       PRO  34  -1.750  -5.766  -5.979
  265    H    SER  35           H        SER  35   1.367  -7.821  -9.978
  266    HA   SER  35           HA       SER  35  -0.406  -8.888 -12.032
  267   1HB   SER  35          2HB       SER  35   1.137  -6.968 -13.393
  268   2HB   SER  35          1HB       SER  35  -0.598  -6.907 -13.090
  269    HG   SER  35           HG       SER  35   0.421  -6.100 -10.871
  270    H    LEU  36           H        LEU  36   1.135  -9.131 -14.141
  271    HA   LEU  36           HA       LEU  36   3.696 -10.203 -13.161
  272   1HB   LEU  36          2HB       LEU  36   1.607 -11.429 -14.784
  273   2HB   LEU  36          1HB       LEU  36   3.178 -11.503 -15.555
  274    HG   LEU  36           HG       LEU  36   3.185 -13.482 -14.397
  275   1HD1  LEU  36          1HD1      LEU  36   4.251 -11.464 -12.433
  276   2HD1  LEU  36          2HD1      LEU  36   4.487 -13.206 -12.293
  277   3HD1  LEU  36          3HD1      LEU  36   5.150 -12.336 -13.674
  278   1HD2  LEU  36          1HD2      LEU  36   2.283 -13.534 -11.965
  279   2HD2  LEU  36          2HD2      LEU  36   1.459 -12.045 -12.431
  280   3HD2  LEU  36          3HD2      LEU  36   1.149 -13.539 -13.315
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1   3.109 -12.827 -18.085
    2   2H    GLY   1          2H        GLY   1   3.228 -14.229 -17.137
    3   3H    GLY   1          3H        GLY   1   4.608 -13.297 -17.453
    4   1HA   GLY   1          2HA       GLY   1   3.106 -13.117 -15.225
    5   2HA   GLY   1          1HA       GLY   1   4.215 -11.884 -15.808
    6    H    SER   2           H        SER   2   0.890 -12.939 -15.705
    7    HA   SER   2           HA       SER   2  -0.044 -10.225 -15.657
    8   1HB   SER   2          2HB       SER   2  -0.732 -12.004 -18.011
    9   2HB   SER   2          1HB       SER   2  -1.629 -10.545 -17.589
   10    HG   SER   2           HG       SER   2   1.074 -10.134 -17.725
   11    HA   PRO   3           HA       PRO   3  -2.675 -13.454 -13.608
   12   1HB   PRO   3          2HB       PRO   3  -1.879 -13.222 -11.059
   13   2HB   PRO   3          1HB       PRO   3  -0.963 -14.171 -12.235
   14   1HG   PRO   3          2HG       PRO   3  -0.347 -11.529 -11.053
   15   2HG   PRO   3          1HG       PRO   3   0.750 -12.762 -11.693
   16   1HD   PRO   3          2HD       PRO   3  -0.184 -10.400 -13.001
   17   2HD   PRO   3          1HD       PRO   3   0.854 -11.671 -13.672
   18    HA   PRO   4           HA       PRO   4  -5.629 -10.384 -12.244
   19   1HB   PRO   4          2HB       PRO   4  -7.512 -12.078 -11.286
   20   2HB   PRO   4          1HB       PRO   4  -7.260 -11.816 -13.015
   21   1HG   PRO   4          2HG       PRO   4  -6.306 -14.056 -11.282
   22   2HG   PRO   4          1HG       PRO   4  -6.982 -14.118 -12.920
   23   1HD   PRO   4          2HD       PRO   4  -4.313 -14.263 -12.410
   24   2HD   PRO   4          1HD       PRO   4  -4.976 -13.561 -13.901
   25    H    LEU   5           H        LEU   5  -6.621  -9.677 -10.244
   26    HA   LEU   5           HA       LEU   5  -4.830  -9.819  -8.068
   27   1HB   LEU   5          2HB       LEU   5  -6.547  -7.989  -8.737
   28   2HB   LEU   5          1HB       LEU   5  -7.681  -8.936  -7.793
   29    HG   LEU   5           HG       LEU   5  -5.960  -8.740  -5.889
   30   1HD1  LEU   5          1HD1      LEU   5  -4.548  -7.408  -7.911
   31   2HD1  LEU   5          2HD1      LEU   5  -5.064  -6.166  -6.768
   32   3HD1  LEU   5          3HD1      LEU   5  -4.120  -7.545  -6.205
   33   1HD2  LEU   5          1HD2      LEU   5  -7.764  -7.550  -5.288
   34   2HD2  LEU   5          2HD2      LEU   5  -6.795  -6.152  -5.749
   35   3HD2  LEU   5          3HD2      LEU   5  -7.949  -6.839  -6.891
   36    HA   PRO   6           HA       PRO   6  -6.334 -13.687  -6.329
   37   1HB   PRO   6          2HB       PRO   6  -4.502 -12.873  -4.151
   38   2HB   PRO   6          1HB       PRO   6  -4.552 -14.375  -5.080
   39   1HG   PRO   6          2HG       PRO   6  -2.625 -12.572  -5.490
   40   2HG   PRO   6          1HG       PRO   6  -3.327 -13.491  -6.833
   41   1HD   PRO   6          2HD       PRO   6  -3.851 -10.667  -5.991
   42   2HD   PRO   6          1HD       PRO   6  -3.678 -11.344  -7.625
   43    HA   PRO   7           HA       PRO   7  -9.436 -12.137  -3.735
   44   1HB   PRO   7          2HB       PRO   7  -9.568 -14.652  -2.243
   45   2HB   PRO   7          1HB       PRO   7 -10.729 -13.972  -3.386
   46   1HG   PRO   7          2HG       PRO   7  -9.238 -16.143  -3.972
   47   2HG   PRO   7          1HG       PRO   7  -9.721 -14.963  -5.205
   48   1HD   PRO   7          2HD       PRO   7  -7.095 -15.251  -3.784
   49   2HD   PRO   7          1HD       PRO   7  -7.412 -14.926  -5.501
   50    H    GLY   8           H        GLY   8  -6.490 -12.978  -2.398
   51   1HA   GLY   8          1HA       GLY   8  -7.237 -12.171   0.313
   52   2HA   GLY   8          2HA       GLY   8  -5.646 -12.736  -0.205
   53    H    TRP   9           H        TRP   9  -7.160 -10.379  -2.205
   54    HA   TRP   9           HA       TRP   9  -5.428  -8.308  -1.025
   55   1HB   TRP   9          2HB       TRP   9  -5.933  -8.977  -3.916
   56   2HB   TRP   9          1HB       TRP   9  -5.241  -7.439  -3.410
   57    HD1  TRP   9           HD       TRP   9  -4.410 -11.138  -3.753
   58    HE1  TRP   9           1HE      TRP   9  -1.855 -11.437  -3.472
   59    HE3  TRP   9           3HE      TRP   9  -3.208  -6.426  -2.216
   60    HZ2  TRP   9           2HZ      TRP   9   0.373  -9.842  -2.698
   61    HZ3  TRP   9           3HZ      TRP   9  -0.871  -5.897  -1.717
   62    HH2  TRP   9           HH       TRP   9   0.886  -7.570  -1.952
   63    H    GLU  10           H        GLU  10  -6.161  -6.186  -1.031
   64    HA   GLU  10           HA       GLU  10  -8.873  -5.701  -2.054
   65   1HB   GLU  10          2HB       GLU  10  -8.895  -6.168   0.409
   66   2HB   GLU  10          1HB       GLU  10  -7.875  -4.754   0.633
   67   1HG   GLU  10          2HG       GLU  10  -9.571  -3.306   0.283
   68   2HG   GLU  10          1HG       GLU  10 -10.379  -4.358  -0.877
   69    H    GLU  11           H        GLU  11  -9.138  -3.740  -3.045
   70    HA   GLU  11           HA       GLU  11  -6.792  -2.033  -3.288
   71   1HB   GLU  11          2HB       GLU  11  -8.481  -2.697  -5.176
   72   2HB   GLU  11          1HB       GLU  11  -9.453  -1.388  -4.515
   73   1HG   GLU  11          2HG       GLU  11  -7.908   0.236  -5.112
   74   2HG   GLU  11          1HG       GLU  11  -6.587  -0.926  -5.226
   75    H    LYS  12           H        LYS  12  -6.419  -0.508  -1.847
   76    HA   LYS  12           HA       LYS  12  -8.691   0.988  -0.725
   77   1HB   LYS  12          2HB       LYS  12  -6.389  -0.253   0.788
   78   2HB   LYS  12          1HB       LYS  12  -7.346   1.063   1.450
   79   1HG   LYS  12          2HG       LYS  12  -9.374  -0.435   1.034
   80   2HG   LYS  12          1HG       LYS  12  -8.202  -1.740   0.829
   81   1HD   LYS  12          2HD       LYS  12  -7.257  -0.872   3.102
   82   2HD   LYS  12          1HD       LYS  12  -8.854  -0.140   3.274
   83   1HE   LYS  12          2HE       LYS  12  -9.533  -2.645   2.518
   84   2HE   LYS  12          1HE       LYS  12  -8.033  -2.968   3.384
   85   1HZ   LYS  12          1HZ       LYS  12  -8.974  -1.707   5.280
   86   2HZ   LYS  12          2HZ       LYS  12  -9.843  -3.113   4.912
   87   3HZ   LYS  12          3HZ       LYS  12 -10.445  -1.600   4.443
   88    H    VAL  13           H        VAL  13  -8.143   3.141  -0.006
   89    HA   VAL  13           HA       VAL  13  -5.773   4.219  -1.345
   90    HB   VAL  13           HB       VAL  13  -8.261   5.501  -0.241
   91   1HG1  VAL  13          1HG1      VAL  13  -5.585   6.702  -0.454
   92   2HG1  VAL  13          2HG1      VAL  13  -6.895   7.630  -1.185
   93   3HG1  VAL  13          3HG1      VAL  13  -6.973   7.187   0.521
   94   1HG2  VAL  13          1HG2      VAL  13  -8.634   6.210  -2.431
   95   2HG2  VAL  13          2HG2      VAL  13  -6.940   6.006  -2.881
   96   3HG2  VAL  13          3HG2      VAL  13  -7.964   4.591  -2.631
   97    H    ASP  14           H        ASP  14  -4.077   5.093  -0.248
   98    HA   ASP  14           HA       ASP  14  -3.622   4.120   2.365
   99   1HB   ASP  14          2HB       ASP  14  -1.457   5.160   2.203
  100   2HB   ASP  14          1HB       ASP  14  -1.858   4.473   0.635
  101    H    ASN  15           H        ASN  15  -3.869   7.452   1.189
  102    HA   ASN  15           HA       ASN  15  -5.350   8.639   3.153
  103   1HB   ASN  15          2HB       ASN  15  -4.056   9.112   4.974
  104   2HB   ASN  15          1HB       ASN  15  -3.136   7.710   4.450
  105   1HD2  ASN  15          1HD2      ASN  15  -1.235   8.125   3.083
  106   2HD2  ASN  15          2HD2      ASN  15  -0.340   9.591   3.333
  107    H    LEU  16           H        LEU  16  -2.531   8.766   1.108
  108    HA   LEU  16           HA       LEU  16  -2.791  11.598   0.569
  109   1HB   LEU  16          2HB       LEU  16  -0.729   9.778   0.429
  110   2HB   LEU  16          1HB       LEU  16  -1.160   9.995  -1.256
  111    HG   LEU  16           HG       LEU  16  -0.745  12.434   0.400
  112   1HD1  LEU  16          1HD1      LEU  16   1.635  11.214  -0.883
  113   2HD1  LEU  16          2HD1      LEU  16   1.525  12.297   0.504
  114   3HD1  LEU  16          3HD1      LEU  16   1.131  10.588   0.686
  115   1HD2  LEU  16          1HD2      LEU  16  -0.234  13.429  -1.619
  116   2HD2  LEU  16          2HD2      LEU  16   0.263  11.910  -2.363
  117   3HD2  LEU  16          3HD2      LEU  16  -1.450  12.243  -2.096
  118    H    GLY  17           H        GLY  17  -3.557   8.526  -0.944
  119   1HA   GLY  17          1HA       GLY  17  -5.641   8.757  -2.383
  120   2HA   GLY  17          2HA       GLY  17  -4.707   9.979  -3.240
  121    H    ARG  18           H        ARG  18  -2.823   7.427  -2.066
  122    HA   ARG  18           HA       ARG  18  -2.457   6.426  -4.784
  123   1HB   ARG  18          2HB       ARG  18  -0.833   5.188  -2.661
  124   2HB   ARG  18          1HB       ARG  18  -0.325   5.898  -4.185
  125   1HG   ARG  18          2HG       ARG  18  -0.936   8.142  -2.903
  126   2HG   ARG  18          1HG       ARG  18  -0.566   7.132  -1.505
  127   1HD   ARG  18          2HD       ARG  18   1.440   8.241  -2.125
  128   2HD   ARG  18          1HD       ARG  18   1.607   6.558  -2.614
  129    HE   ARG  18           HE       ARG  18   1.950   7.317  -4.725
  130   1HH1  ARG  18          2HH1      ARG  18  -0.033   9.710  -3.093
  131   2HH1  ARG  18          1HH1      ARG  18  -0.116  10.764  -4.469
  132   1HH2  ARG  18          2HH2      ARG  18   1.880   8.737  -6.510
  133   2HH2  ARG  18          1HH2      ARG  18   0.985  10.226  -6.401
  134    H    THR  19           H        THR  19  -4.008   4.993  -5.290
  135    HA   THR  19           HA       THR  19  -5.275   3.306  -3.406
  136    HB   THR  19           HB       THR  19  -5.498   2.282  -6.071
  137    HG1  THR  19           1HG      THR  19  -6.400   4.924  -6.094
  138   1HG2  THR  19          1HG2      THR  19  -7.866   3.301  -5.686
  139   2HG2  THR  19          2HG2      THR  19  -7.271   3.586  -4.050
  140   3HG2  THR  19          3HG2      THR  19  -7.325   1.945  -4.696
  141    H    TYR  20           H        TYR  20  -4.023   1.882  -2.370
  142    HA   TYR  20           HA       TYR  20  -2.157   0.264  -3.944
  143   1HB   TYR  20          2HB       TYR  20  -1.013  -0.252  -1.887
  144   2HB   TYR  20          1HB       TYR  20  -1.214   1.485  -1.992
  145    HD1  TYR  20           1HD      TYR  20  -3.142   2.532  -0.650
  146    HD2  TYR  20           2HD      TYR  20  -1.724  -1.421  -0.003
  147    HE1  TYR  20           1HE      TYR  20  -4.143   2.548   1.594
  148    HE2  TYR  20           2HE      TYR  20  -2.721  -1.418   2.241
  149    HH   TYR  20           HH       TYR  20  -4.330   1.469   3.541
  150    H    TYR  21           H        TYR  21  -1.885  -1.986  -2.981
  151    HA   TYR  21           HA       TYR  21  -4.566  -3.120  -2.591
  152   1HB   TYR  21          2HB       TYR  21  -2.139  -4.253  -3.997
  153   2HB   TYR  21          1HB       TYR  21  -3.556  -5.216  -3.589
  154    HD1  TYR  21           1HD      TYR  21  -2.105  -2.948  -5.958
  155    HD2  TYR  21           2HD      TYR  21  -5.793  -4.512  -4.543
  156    HE1  TYR  21           1HE      TYR  21  -3.210  -2.197  -8.022
  157    HE2  TYR  21           2HE      TYR  21  -6.907  -3.779  -6.602
  158    HH   TYR  21           HH       TYR  21  -6.215  -1.683  -8.397
  159    H    VAL  22           H        VAL  22  -4.890  -3.888  -0.658
  160    HA   VAL  22           HA       VAL  22  -2.567  -4.573   0.996
  161    HB   VAL  22           HB       VAL  22  -3.841  -2.890   2.065
  162   1HG1  VAL  22          1HG1      VAL  22  -5.907  -2.624   1.270
  163   2HG1  VAL  22          2HG1      VAL  22  -6.129  -4.350   0.988
  164   3HG1  VAL  22          3HG1      VAL  22  -6.362  -3.685   2.605
  165   1HG2  VAL  22          1HG2      VAL  22  -5.136  -4.800   3.736
  166   2HG2  VAL  22          2HG2      VAL  22  -3.583  -5.454   3.212
  167   3HG2  VAL  22          3HG2      VAL  22  -3.651  -3.896   4.034
  168    H    ASN  23           H        ASN  23  -2.137  -6.646   1.171
  169    HA   ASN  23           HA       ASN  23  -4.019  -8.675   0.523
  170   1HB   ASN  23          2HB       ASN  23  -1.463  -8.823   0.386
  171   2HB   ASN  23          1HB       ASN  23  -1.500  -9.090   2.121
  172   1HD2  ASN  23          1HD2      ASN  23  -1.436 -10.578  -0.800
  173   2HD2  ASN  23          2HD2      ASN  23  -2.050 -12.133  -0.352
  174    H    HIS  24           H        HIS  24  -5.193 -10.021   1.895
  175    HA   HIS  24           HA       HIS  24  -5.744  -8.853   4.515
  176   1HB   HIS  24          2HB       HIS  24  -7.196 -10.663   2.650
  177   2HB   HIS  24          1HB       HIS  24  -7.556 -10.805   4.367
  178    HD1  HIS  24           1HD      HIS  24  -9.907  -9.832   4.164
  179    HD2  HIS  24           2HD      HIS  24  -6.912  -7.288   2.795
  180    HE1  HIS  24           1HE      HIS  24 -11.014  -7.601   3.841
  181    HE2  HIS  24           2HE      HIS  24  -9.244  -6.125   2.834
  182    H    ASN  25           H        ASN  25  -4.073 -11.475   3.159
  183    HA   ASN  25           HA       ASN  25  -4.116 -12.953   5.691
  184   1HB   ASN  25          2HB       ASN  25  -4.262 -14.797   4.441
  185   2HB   ASN  25          1HB       ASN  25  -4.378 -13.775   3.019
  186   1HD2  ASN  25          1HD2      ASN  25  -2.775 -13.754   1.593
  187   2HD2  ASN  25          2HD2      ASN  25  -1.317 -14.664   1.732
  188    H    ASN  26           H        ASN  26  -1.886 -11.646   3.253
  189    HA   ASN  26           HA       ASN  26   0.350 -12.044   5.119
  190   1HB   ASN  26          2HB       ASN  26   0.509 -12.806   2.711
  191   2HB   ASN  26          1HB       ASN  26   0.474 -11.108   2.247
  192   1HD2  ASN  26          1HD2      ASN  26   2.259 -13.520   4.068
  193   2HD2  ASN  26          2HD2      ASN  26   3.796 -12.728   3.957
  194    H    ARG  27           H        ARG  27  -1.805  -9.724   4.046
  195    HA   ARG  27           HA       ARG  27  -1.984  -7.479   4.057
  196   1HB   ARG  27          2HB       ARG  27  -0.215  -7.267   6.442
  197   2HB   ARG  27          1HB       ARG  27  -1.766  -6.501   6.099
  198   1HG   ARG  27          2HG       ARG  27  -1.629  -9.448   6.562
  199   2HG   ARG  27          1HG       ARG  27  -1.613  -8.324   7.924
  200   1HD   ARG  27          2HD       ARG  27  -3.683  -8.054   5.783
  201   2HD   ARG  27          1HD       ARG  27  -3.876  -9.265   7.048
  202    HE   ARG  27           HE       ARG  27  -4.114  -6.398   7.319
  203   1HH1  ARG  27          2HH1      ARG  27  -3.649  -9.458   8.973
  204   2HH1  ARG  27          1HH1      ARG  27  -4.160  -8.838  10.516
  205   1HH2  ARG  27          2HH2      ARG  27  -4.796  -5.593   9.318
  206   2HH2  ARG  27          1HH2      ARG  27  -4.838  -6.636  10.710
  207    H    SER  28           H        SER  28   0.187  -8.406   2.443
  208    HA   SER  28           HA       SER  28   2.309  -6.546   2.570
  209   1HB   SER  28          2HB       SER  28   1.515  -7.406  -0.120
  210   2HB   SER  28          1HB       SER  28   3.037  -7.662   0.736
  211    HG   SER  28           HG       SER  28   2.238  -9.479   1.661
  212    H    THR  29           H        THR  29   2.218  -4.407   2.236
  213    HA   THR  29           HA       THR  29  -0.256  -3.337   1.067
  214    HB   THR  29           HB       THR  29   0.686  -1.185   2.265
  215    HG1  THR  29           1HG      THR  29   1.636  -2.872   4.231
  216   1HG2  THR  29          1HG2      THR  29  -1.145  -3.213   2.943
  217   2HG2  THR  29          2HG2      THR  29  -1.086  -1.563   3.563
  218   3HG2  THR  29          3HG2      THR  29  -0.235  -2.856   4.412
  219    H    GLN  30           H        GLN  30   0.846  -3.812  -1.065
  220    HA   GLN  30           HA       GLN  30   2.796  -1.724  -1.746
  221   1HB   GLN  30          2HB       GLN  30   3.105  -3.089  -3.863
  222   2HB   GLN  30          1HB       GLN  30   3.677  -3.824  -2.370
  223   1HG   GLN  30          2HG       GLN  30   1.489  -5.033  -2.280
  224   2HG   GLN  30          1HG       GLN  30   1.186  -4.487  -3.914
  225   1HE2  GLN  30          1HE2      GLN  30   1.917  -5.676  -5.520
  226   2HE2  GLN  30          2HE2      GLN  30   3.094  -6.936  -5.402
  227    H    TRP  31           H        TRP  31   2.446  -0.313  -3.394
  228    HA   TRP  31           HA       TRP  31  -0.291  -0.183  -4.447
  229   1HB   TRP  31          2HB       TRP  31   1.182   2.086  -5.309
  230   2HB   TRP  31          1HB       TRP  31  -0.117   2.033  -4.129
  231    HD1  TRP  31           HD       TRP  31   3.693   1.344  -4.050
  232    HE1  TRP  31           1HE      TRP  31   4.662   2.371  -1.903
  233    HE3  TRP  31           3HE      TRP  31  -0.603   3.280  -2.096
  234    HZ2  TRP  31           2HZ      TRP  31   3.722   3.840   0.314
  235    HZ3  TRP  31           3HZ      TRP  31  -0.483   4.488   0.035
  236    HH2  TRP  31           HH       TRP  31   1.634   4.768   1.212
  237    H    HIS  32           H        HIS  32   2.270  -1.793  -5.266
  238    HA   HIS  32           HA       HIS  32   2.489  -0.800  -8.014
  239   1HB   HIS  32          2HB       HIS  32   4.619  -1.622  -8.121
  240   2HB   HIS  32          1HB       HIS  32   4.502  -1.348  -6.397
  241    HD1  HIS  32           1HD      HIS  32   5.038  -3.279  -4.913
  242    HD2  HIS  32           2HD      HIS  32   4.434  -4.427  -8.869
  243    HE1  HIS  32           1HE      HIS  32   5.663  -5.712  -5.020
  244    HE2  HIS  32           2HE      HIS  32   5.268  -6.401  -7.416
  245    H    ARG  33           H        ARG  33   0.597  -2.844  -6.427
  246    HA   ARG  33           HA       ARG  33  -0.824  -4.511  -6.996
  247   1HB   ARG  33          2HB       ARG  33  -0.635  -3.095  -9.271
  248   2HB   ARG  33          1HB       ARG  33   0.024  -4.625  -9.837
  249   1HG   ARG  33          2HG       ARG  33  -1.981  -5.784  -9.191
  250   2HG   ARG  33          1HG       ARG  33  -2.634  -4.320  -8.460
  251   1HD   ARG  33          2HD       ARG  33  -2.467  -5.121 -11.301
  252   2HD   ARG  33          1HD       ARG  33  -3.711  -4.208 -10.453
  253    HE   ARG  33           HE       ARG  33  -1.166  -3.089 -11.442
  254   1HH1  ARG  33          2HH1      ARG  33  -4.505  -2.685 -10.436
  255   2HH1  ARG  33          1HH1      ARG  33  -4.598  -1.046 -10.993
  256   1HH2  ARG  33          2HH2      ARG  33  -1.301  -0.922 -12.144
  257   2HH2  ARG  33          1HH2      ARG  33  -2.787  -0.039 -11.939
  258    HA   PRO  34           HA       PRO  34   1.830  -8.035  -6.799
  259   1HB   PRO  34          2HB       PRO  34  -0.274  -9.886  -6.678
  260   2HB   PRO  34          1HB       PRO  34   0.551  -9.135  -5.319
  261   1HG   PRO  34          2HG       PRO  34  -2.127  -8.712  -6.186
  262   2HG   PRO  34          1HG       PRO  34  -1.279  -7.924  -4.851
  263   1HD   PRO  34          2HD       PRO  34  -1.922  -6.898  -7.501
  264   2HD   PRO  34          1HD       PRO  34  -1.392  -6.025  -6.054
  265    H    SER  35           H        SER  35   1.431  -7.074  -9.392
  266    HA   SER  35           HA       SER  35   0.943  -9.486 -10.974
  267   1HB   SER  35          2HB       SER  35   1.631  -6.868 -12.235
  268   2HB   SER  35          1HB       SER  35   0.511  -8.117 -12.780
  269    HG   SER  35           HG       SER  35  -1.009  -7.002 -11.885
  270    H    LEU  36           H        LEU  36   2.632 -10.686 -11.547
  271    HA   LEU  36           HA       LEU  36   5.299  -9.447 -11.470
  272   1HB   LEU  36          2HB       LEU  36   4.246 -11.939 -10.360
  273   2HB   LEU  36          1HB       LEU  36   5.713 -12.168 -11.292
  274    HG   LEU  36           HG       LEU  36   6.277  -9.973  -9.683
  275   1HD1  LEU  36          1HD1      LEU  36   4.106 -10.894  -8.489
  276   2HD1  LEU  36          2HD1      LEU  36   5.265 -12.026  -7.792
  277   3HD1  LEU  36          3HD1      LEU  36   5.485 -10.291  -7.573
  278   1HD2  LEU  36          1HD2      LEU  36   8.083 -11.210  -9.285
  279   2HD2  LEU  36          2HD2      LEU  36   7.131 -12.500  -8.547
  280   3HD2  LEU  36          3HD2      LEU  36   7.339 -12.448 -10.297
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -16.607 -16.128  -8.430
    2   2H    GLY   1          2H        GLY   1 -17.585 -15.304  -9.545
    3   3H    GLY   1          3H        GLY   1 -16.869 -14.461  -8.262
    4   1HA   GLY   1          2HA       GLY   1 -14.736 -14.619  -9.160
    5   2HA   GLY   1          1HA       GLY   1 -15.246 -15.869 -10.289
    6    H    SER   2           H        SER   2 -14.494 -12.665 -10.002
    7    HA   SER   2           HA       SER   2 -15.589 -12.126 -12.624
    8   1HB   SER   2          2HB       SER   2 -16.150  -9.729 -11.279
    9   2HB   SER   2          1HB       SER   2 -17.310 -10.883 -11.928
   10    HG   SER   2           HG       SER   2 -17.272 -10.234  -9.527
   11    HA   PRO   3           HA       PRO   3 -12.278  -8.825 -11.756
   12   1HB   PRO   3          2HB       PRO   3 -11.118  -8.553  -9.352
   13   2HB   PRO   3          1HB       PRO   3 -12.684  -7.817  -9.718
   14   1HG   PRO   3          2HG       PRO   3 -12.076 -10.327  -8.207
   15   2HG   PRO   3          1HG       PRO   3 -13.259  -9.058  -7.846
   16   1HD   PRO   3          2HD       PRO   3 -13.886 -11.440  -9.057
   17   2HD   PRO   3          1HD       PRO   3 -14.824  -9.947  -9.255
   18    HA   PRO   4           HA       PRO   4  -8.759 -11.534 -12.203
   19   1HB   PRO   4          2HB       PRO   4  -6.877  -9.748 -12.901
   20   2HB   PRO   4          1HB       PRO   4  -8.218 -10.153 -13.980
   21   1HG   PRO   4          2HG       PRO   4  -7.876  -7.780 -12.193
   22   2HG   PRO   4          1HG       PRO   4  -8.493  -7.853 -13.854
   23   1HD   PRO   4          2HD       PRO   4 -10.100  -7.712 -11.633
   24   2HD   PRO   4          1HD       PRO   4 -10.604  -8.432 -13.174
   25    H    LEU   5           H        LEU   5  -9.027  -9.127  -9.830
   26    HA   LEU   5           HA       LEU   5  -6.472  -9.408  -8.586
   27   1HB   LEU   5          2HB       LEU   5  -8.236  -7.510  -8.371
   28   2HB   LEU   5          1HB       LEU   5  -8.966  -8.543  -7.159
   29    HG   LEU   5           HG       LEU   5  -6.724  -8.518  -5.965
   30   1HD1  LEU   5          1HD1      LEU   5  -5.566  -6.216  -6.620
   31   2HD1  LEU   5          2HD1      LEU   5  -5.087  -7.757  -7.331
   32   3HD1  LEU   5          3HD1      LEU   5  -6.171  -6.676  -8.211
   33   1HD2  LEU   5          1HD2      LEU   5  -8.732  -7.188  -5.323
   34   2HD2  LEU   5          2HD2      LEU   5  -7.194  -6.455  -4.862
   35   3HD2  LEU   5          3HD2      LEU   5  -8.075  -5.847  -6.263
   36    HA   PRO   6           HA       PRO   6  -7.256 -13.436  -6.895
   37   1HB   PRO   6          2HB       PRO   6  -4.968 -12.842  -5.131
   38   2HB   PRO   6          1HB       PRO   6  -5.163 -14.126  -6.326
   39   1HG   PRO   6          2HG       PRO   6  -3.517 -12.059  -6.761
   40   2HG   PRO   6          1HG       PRO   6  -4.456 -12.792  -8.077
   41   1HD   PRO   6          2HD       PRO   6  -4.984 -10.268  -6.548
   42   2HD   PRO   6          1HD       PRO   6  -5.135 -10.582  -8.290
   43    HA   PRO   7           HA       PRO   7  -9.541 -12.832  -3.165
   44   1HB   PRO   7          2HB       PRO   7  -8.650 -15.546  -2.388
   45   2HB   PRO   7          1HB       PRO   7 -10.287 -14.928  -2.633
   46   1HG   PRO   7          2HG       PRO   7  -9.174 -16.589  -4.402
   47   2HG   PRO   7          1HG       PRO   7 -10.208 -15.245  -4.927
   48   1HD   PRO   7          2HD       PRO   7  -7.215 -15.445  -4.932
   49   2HD   PRO   7          1HD       PRO   7  -8.295 -14.773  -6.171
   50    H    GLY   8           H        GLY   8  -9.014 -11.848  -1.331
   51   1HA   GLY   8          1HA       GLY   8  -7.877 -11.712   0.766
   52   2HA   GLY   8          2HA       GLY   8  -6.537 -12.625   0.072
   53    H    TRP   9           H        TRP   9  -7.509 -10.446  -2.209
   54    HA   TRP   9           HA       TRP   9  -5.653  -8.370  -1.244
   55   1HB   TRP   9          2HB       TRP   9  -6.456  -9.204  -4.031
   56   2HB   TRP   9          1HB       TRP   9  -5.662  -7.670  -3.712
   57    HD1  TRP   9           HD       TRP   9  -4.983 -11.359  -4.114
   58    HE1  TRP   9           1HE      TRP   9  -2.435 -11.773  -3.995
   59    HE3  TRP   9           3HE      TRP   9  -3.484  -6.739  -2.526
   60    HZ2  TRP   9           2HZ      TRP   9  -0.106 -10.324  -3.300
   61    HZ3  TRP   9           3HZ      TRP   9  -1.085  -6.330  -2.148
   62    HH2  TRP   9           HH       TRP   9   0.569  -8.088  -2.530
   63    H    GLU  10           H        GLU  10  -6.410  -6.300  -0.971
   64    HA   GLU  10           HA       GLU  10  -9.177  -5.765  -1.834
   65   1HB   GLU  10          2HB       GLU  10  -8.087  -5.854   0.837
   66   2HB   GLU  10          1HB       GLU  10  -8.720  -4.254   0.483
   67   1HG   GLU  10          2HG       GLU  10 -10.872  -5.215  -0.092
   68   2HG   GLU  10          1HG       GLU  10 -10.236  -6.834   0.192
   69    H    GLU  11           H        GLU  11  -9.486  -3.890  -2.873
   70    HA   GLU  11           HA       GLU  11  -7.232  -2.184  -3.407
   71   1HB   GLU  11          2HB       GLU  11  -8.978  -2.737  -5.103
   72   2HB   GLU  11          1HB       GLU  11 -10.125  -1.776  -4.177
   73   1HG   GLU  11          2HG       GLU  11  -8.000  -0.065  -4.515
   74   2HG   GLU  11          1HG       GLU  11  -8.061  -0.943  -6.042
   75    H    LYS  12           H        LYS  12  -6.607  -0.558  -2.197
   76    HA   LYS  12           HA       LYS  12  -8.610   0.949  -0.666
   77   1HB   LYS  12          2HB       LYS  12  -6.664  -0.805   0.446
   78   2HB   LYS  12          1HB       LYS  12  -6.178   0.839   0.832
   79   1HG   LYS  12          2HG       LYS  12  -7.542   0.602   2.583
   80   2HG   LYS  12          1HG       LYS  12  -8.828   0.920   1.416
   81   1HD   LYS  12          2HD       LYS  12  -9.614  -1.170   1.569
   82   2HD   LYS  12          1HD       LYS  12  -7.999  -1.872   1.457
   83   1HE   LYS  12          2HE       LYS  12  -8.090  -2.352   3.621
   84   2HE   LYS  12          1HE       LYS  12  -8.176  -0.627   3.981
   85   1HZ   LYS  12          1HZ       LYS  12 -10.658  -1.909   3.161
   86   2HZ   LYS  12          2HZ       LYS  12 -10.388  -0.722   4.340
   87   3HZ   LYS  12          3HZ       LYS  12 -10.061  -2.347   4.687
   88    H    VAL  13           H        VAL  13  -7.843   3.097  -0.025
   89    HA   VAL  13           HA       VAL  13  -5.497   4.014  -1.546
   90    HB   VAL  13           HB       VAL  13  -8.214   5.076  -1.527
   91   1HG1  VAL  13          1HG1      VAL  13  -6.992   6.643   0.087
   92   2HG1  VAL  13          2HG1      VAL  13  -6.091   7.173  -1.332
   93   3HG1  VAL  13          3HG1      VAL  13  -7.844   7.363  -1.279
   94   1HG2  VAL  13          1HG2      VAL  13  -7.639   5.880  -3.632
   95   2HG2  VAL  13          2HG2      VAL  13  -5.927   5.998  -3.216
   96   3HG2  VAL  13          3HG2      VAL  13  -6.667   4.418  -3.457
   97    H    ASP  14           H        ASP  14  -4.059   5.363  -0.465
   98    HA   ASP  14           HA       ASP  14  -4.254   5.210   2.429
   99   1HB   ASP  14          2HB       ASP  14  -1.957   5.525   2.508
  100   2HB   ASP  14          1HB       ASP  14  -2.152   4.691   0.971
  101    H    ASN  15           H        ASN  15  -2.866   7.387   3.312
  102    HA   ASN  15           HA       ASN  15  -4.912   9.356   3.339
  103   1HB   ASN  15          2HB       ASN  15  -3.599  10.505   4.935
  104   2HB   ASN  15          1HB       ASN  15  -3.293   8.797   5.224
  105   1HD2  ASN  15          1HD2      ASN  15  -1.879  11.747   4.928
  106   2HD2  ASN  15          2HD2      ASN  15  -0.267  11.245   4.545
  107    H    LEU  16           H        LEU  16  -2.125   8.910   1.343
  108    HA   LEU  16           HA       LEU  16  -2.023  11.709   0.558
  109   1HB   LEU  16          2HB       LEU  16  -0.226   9.510   0.507
  110   2HB   LEU  16          1HB       LEU  16  -0.453  10.048  -1.147
  111    HG   LEU  16           HG       LEU  16  -0.065  12.418   0.193
  112   1HD1  LEU  16          1HD1      LEU  16   1.878  12.119   1.608
  113   2HD1  LEU  16          2HD1      LEU  16   0.521  11.186   2.242
  114   3HD1  LEU  16          3HD1      LEU  16   1.816  10.373   1.365
  115   1HD2  LEU  16          1HD2      LEU  16   1.554  10.623  -1.509
  116   2HD2  LEU  16          2HD2      LEU  16   1.063  12.296  -1.768
  117   3HD2  LEU  16          3HD2      LEU  16   2.407  11.927  -0.685
  118    H    GLY  17           H        GLY  17  -3.115   8.616  -0.714
  119   1HA   GLY  17          1HA       GLY  17  -5.115   8.839  -2.201
  120   2HA   GLY  17          2HA       GLY  17  -4.192  10.056  -3.071
  121    H    ARG  18           H        ARG  18  -2.568   7.279  -1.827
  122    HA   ARG  18           HA       ARG  18  -1.973   6.418  -4.551
  123   1HB   ARG  18          2HB       ARG  18  -0.871   5.032  -2.134
  124   2HB   ARG  18          1HB       ARG  18  -0.115   5.316  -3.688
  125   1HG   ARG  18          2HG       ARG  18  -0.573   7.840  -2.492
  126   2HG   ARG  18          1HG       ARG  18   0.163   6.788  -1.285
  127   1HD   ARG  18          2HD       ARG  18   2.056   7.545  -2.278
  128   2HD   ARG  18          1HD       ARG  18   1.728   6.174  -3.341
  129    HE   ARG  18           HE       ARG  18   0.606   7.840  -4.834
  130   1HH1  ARG  18          2HH1      ARG  18   3.108   8.837  -2.599
  131   2HH1  ARG  18          1HH1      ARG  18   3.552  10.240  -3.532
  132   1HH2  ARG  18          2HH2      ARG  18   1.175   9.659  -6.049
  133   2HH2  ARG  18          1HH2      ARG  18   2.432  10.716  -5.485
  134    H    THR  19           H        THR  19  -3.575   5.196  -5.378
  135    HA   THR  19           HA       THR  19  -5.182   3.436  -3.868
  136    HB   THR  19           HB       THR  19  -4.756   2.845  -6.750
  137    HG1  THR  19           1HG      THR  19  -6.398   5.035  -6.288
  138   1HG2  THR  19          1HG2      THR  19  -6.945   2.841  -4.750
  139   2HG2  THR  19          2HG2      THR  19  -6.588   1.692  -6.040
  140   3HG2  THR  19          3HG2      THR  19  -7.398   3.211  -6.418
  141    H    TYR  20           H        TYR  20  -4.282   1.834  -2.759
  142    HA   TYR  20           HA       TYR  20  -2.303   0.148  -4.117
  143   1HB   TYR  20          2HB       TYR  20  -1.279  -0.323  -1.979
  144   2HB   TYR  20          1HB       TYR  20  -1.359   1.413  -2.212
  145    HD1  TYR  20           1HD      TYR  20  -2.908   2.785  -0.844
  146    HD2  TYR  20           2HD      TYR  20  -2.494  -1.406  -0.219
  147    HE1  TYR  20           1HE      TYR  20  -3.959   3.010   1.362
  148    HE2  TYR  20           2HE      TYR  20  -3.548  -1.179   1.983
  149    HH   TYR  20           HH       TYR  20  -4.316   1.956   3.352
  150    H    TYR  21           H        TYR  21  -2.190  -2.075  -3.023
  151    HA   TYR  21           HA       TYR  21  -4.936  -3.029  -2.594
  152   1HB   TYR  21          2HB       TYR  21  -2.760  -4.462  -4.147
  153   2HB   TYR  21          1HB       TYR  21  -4.398  -5.051  -3.870
  154    HD1  TYR  21           1HD      TYR  21  -2.299  -2.814  -5.829
  155    HD2  TYR  21           2HD      TYR  21  -6.312  -3.966  -5.007
  156    HE1  TYR  21           1HE      TYR  21  -3.047  -1.641  -7.852
  157    HE2  TYR  21           2HE      TYR  21  -7.068  -2.801  -7.036
  158    HH   TYR  21           HH       TYR  21  -4.783  -0.980  -9.072
  159    H    VAL  22           H        VAL  22  -5.138  -3.789  -0.635
  160    HA   VAL  22           HA       VAL  22  -2.732  -4.579   0.814
  161    HB   VAL  22           HB       VAL  22  -3.981  -2.956   2.003
  162   1HG1  VAL  22          1HG1      VAL  22  -6.104  -2.956   1.036
  163   2HG1  VAL  22          2HG1      VAL  22  -6.370  -4.656   1.425
  164   3HG1  VAL  22          3HG1      VAL  22  -6.372  -3.448   2.709
  165   1HG2  VAL  22          1HG2      VAL  22  -4.637  -4.145   4.067
  166   2HG2  VAL  22          2HG2      VAL  22  -4.506  -5.670   3.189
  167   3HG2  VAL  22          3HG2      VAL  22  -3.076  -4.667   3.431
  168    H    ASN  23           H        ASN  23  -2.239  -6.636   0.782
  169    HA   ASN  23           HA       ASN  23  -4.111  -8.741   0.388
  170   1HB   ASN  23          2HB       ASN  23  -1.644  -8.846  -0.121
  171   2HB   ASN  23          1HB       ASN  23  -1.349  -8.916   1.613
  172   1HD2  ASN  23          1HD2      ASN  23  -2.668 -10.621  -1.137
  173   2HD2  ASN  23          2HD2      ASN  23  -2.683 -12.187  -0.397
  174    H    HIS  24           H        HIS  24  -5.132 -10.045   1.908
  175    HA   HIS  24           HA       HIS  24  -5.086  -8.949   4.639
  176   1HB   HIS  24          2HB       HIS  24  -7.199 -10.169   2.948
  177   2HB   HIS  24          1HB       HIS  24  -7.276 -10.498   4.677
  178    HD1  HIS  24           1HD      HIS  24  -9.144  -9.020   5.410
  179    HD2  HIS  24           2HD      HIS  24  -6.358  -7.009   3.077
  180    HE1  HIS  24           1HE      HIS  24  -9.855  -6.614   5.448
  181    HE2  HIS  24           2HE      HIS  24  -8.335  -5.480   3.796
  182    H    ASN  25           H        ASN  25  -3.454 -11.186   3.184
  183    HA   ASN  25           HA       ASN  25  -3.778 -13.215   5.296
  184   1HB   ASN  25          2HB       ASN  25  -3.419 -13.422   2.465
  185   2HB   ASN  25          1HB       ASN  25  -1.997 -14.102   3.248
  186   1HD2  ASN  25          1HD2      ASN  25  -5.030 -14.740   2.150
  187   2HD2  ASN  25          2HD2      ASN  25  -5.372 -16.166   3.054
  188    H    ASN  26           H        ASN  26  -1.221 -11.873   3.238
  189    HA   ASN  26           HA       ASN  26   0.702 -12.038   5.436
  190   1HB   ASN  26          2HB       ASN  26   1.299 -12.869   3.165
  191   2HB   ASN  26          1HB       ASN  26   1.100 -11.236   2.542
  192   1HD2  ASN  26          1HD2      ASN  26   3.271 -11.361   1.817
  193   2HD2  ASN  26          2HD2      ASN  26   4.582 -11.095   2.927
  194    H    ARG  27           H        ARG  27  -1.416  -9.860   4.025
  195    HA   ARG  27           HA       ARG  27  -1.867  -7.664   4.248
  196   1HB   ARG  27          2HB       ARG  27  -0.080  -7.828   6.671
  197   2HB   ARG  27          1HB       ARG  27  -1.256  -6.567   6.323
  198   1HG   ARG  27          2HG       ARG  27  -3.065  -8.202   6.475
  199   2HG   ARG  27          1HG       ARG  27  -1.885  -9.467   6.828
  200   1HD   ARG  27          2HD       ARG  27  -2.613  -7.078   8.500
  201   2HD   ARG  27          1HD       ARG  27  -2.764  -8.785   8.914
  202    HE   ARG  27           HE       ARG  27  -0.209  -8.765   8.755
  203   1HH1  ARG  27          2HH1      ARG  27  -2.135  -6.033   9.825
  204   2HH1  ARG  27          1HH1      ARG  27  -0.861  -5.358  10.801
  205   1HH2  ARG  27          2HH2      ARG  27   1.467  -7.881  10.036
  206   2HH2  ARG  27          1HH2      ARG  27   1.187  -6.410  10.925
  207    H    SER  28           H        SER  28   0.232  -8.255   2.484
  208    HA   SER  28           HA       SER  28   2.250  -6.238   2.794
  209   1HB   SER  28          2HB       SER  28   1.492  -7.622   0.218
  210   2HB   SER  28          1HB       SER  28   3.063  -6.969   0.688
  211    HG   SER  28           HG       SER  28   2.846  -8.618   2.484
  212    H    THR  29           H        THR  29   1.647  -4.178   2.764
  213    HA   THR  29           HA       THR  29  -0.653  -3.315   1.203
  214    HB   THR  29           HB       THR  29   0.315  -1.048   2.385
  215    HG1  THR  29           1HG      THR  29   1.937  -2.602   3.400
  216   1HG2  THR  29          1HG2      THR  29  -1.265  -2.719   4.212
  217   2HG2  THR  29          2HG2      THR  29  -1.917  -2.603   2.578
  218   3HG2  THR  29          3HG2      THR  29  -1.632  -1.140   3.519
  219    H    GLN  30           H        GLN  30   0.528  -3.765  -0.837
  220    HA   GLN  30           HA       GLN  30   2.576  -1.755  -1.453
  221   1HB   GLN  30          2HB       GLN  30   3.036  -3.236  -3.448
  222   2HB   GLN  30          1HB       GLN  30   3.415  -3.926  -1.879
  223   1HG   GLN  30          2HG       GLN  30   1.521  -5.339  -1.948
  224   2HG   GLN  30          1HG       GLN  30   0.831  -4.473  -3.311
  225   1HE2  GLN  30          1HE2      GLN  30   0.937  -5.594  -5.039
  226   2HE2  GLN  30          2HE2      GLN  30   2.236  -6.610  -5.536
  227    H    TRP  31           H        TRP  31   2.339  -0.309  -3.101
  228    HA   TRP  31           HA       TRP  31  -0.394  -0.015  -4.060
  229   1HB   TRP  31          2HB       TRP  31   1.205   2.184  -4.909
  230   2HB   TRP  31          1HB       TRP  31  -0.101   2.162  -3.734
  231    HD1  TRP  31           HD       TRP  31   3.707   1.396  -3.745
  232    HE1  TRP  31           1HE      TRP  31   4.686   2.238  -1.518
  233    HE3  TRP  31           3HE      TRP  31  -0.598   3.072  -1.559
  234    HZ2  TRP  31           2HZ      TRP  31   3.748   3.478   0.840
  235    HZ3  TRP  31           3HZ      TRP  31  -0.469   4.077   0.676
  236    HH2  TRP  31           HH       TRP  31   1.655   4.278   1.841
  237    H    HIS  32           H        HIS  32   2.307  -1.453  -5.252
  238    HA   HIS  32           HA       HIS  32   1.987  -0.395  -7.954
  239   1HB   HIS  32          2HB       HIS  32   3.901  -2.025  -8.479
  240   2HB   HIS  32          1HB       HIS  32   4.265  -0.599  -7.521
  241    HD1  HIS  32           1HD      HIS  32   3.533  -4.299  -6.996
  242    HD2  HIS  32           2HD      HIS  32   5.638  -1.157  -5.264
  243    HE1  HIS  32           1HE      HIS  32   4.863  -5.321  -5.126
  244    HE2  HIS  32           2HE      HIS  32   6.321  -3.450  -4.275
  245    H    ARG  33           H        ARG  33   0.214  -2.440  -6.361
  246    HA   ARG  33           HA       ARG  33  -1.175  -4.173  -6.894
  247   1HB   ARG  33          2HB       ARG  33  -0.967  -2.806  -9.223
  248   2HB   ARG  33          1HB       ARG  33  -0.285  -4.347  -9.722
  249   1HG   ARG  33          2HG       ARG  33  -2.277  -5.472  -9.435
  250   2HG   ARG  33          1HG       ARG  33  -2.901  -4.288  -8.285
  251   1HD   ARG  33          2HD       ARG  33  -4.058  -4.153 -10.436
  252   2HD   ARG  33          1HD       ARG  33  -3.171  -2.670 -10.081
  253    HE   ARG  33           HE       ARG  33  -2.218  -4.759 -11.947
  254   1HH1  ARG  33          2HH1      ARG  33  -2.585  -1.390 -11.012
  255   2HH1  ARG  33          1HH1      ARG  33  -1.698  -0.782 -12.375
  256   1HH2  ARG  33          2HH2      ARG  33  -1.054  -3.965 -13.731
  257   2HH2  ARG  33          1HH2      ARG  33  -0.838  -2.247 -13.938
  258    HA   PRO  34           HA       PRO  34   1.395  -7.816  -6.620
  259   1HB   PRO  34          2HB       PRO  34  -0.806  -9.336  -7.852
  260   2HB   PRO  34          1HB       PRO  34  -0.049  -9.534  -6.275
  261   1HG   PRO  34          2HG       PRO  34  -2.517  -8.511  -6.559
  262   2HG   PRO  34          1HG       PRO  34  -1.414  -7.990  -5.273
  263   1HD   PRO  34          2HD       PRO  34  -2.166  -6.608  -7.803
  264   2HD   PRO  34          1HD       PRO  34  -1.807  -5.929  -6.207
  265    H    SER  35           H        SER  35   2.269  -6.448  -8.680
  266    HA   SER  35           HA       SER  35   3.373  -6.541 -10.651
  267   1HB   SER  35          2HB       SER  35   3.592  -9.477  -9.980
  268   2HB   SER  35          1HB       SER  35   4.718  -8.516 -10.940
  269    HG   SER  35           HG       SER  35   5.078  -7.240  -9.020
  270    H    LEU  36           H        LEU  36   0.670  -6.577 -11.192
  271    HA   LEU  36           HA       LEU  36   0.708  -7.547 -13.859
  272   1HB   LEU  36          2HB       LEU  36  -0.057  -9.477 -12.089
  273   2HB   LEU  36          1HB       LEU  36  -1.601  -8.744 -12.469
  274    HG   LEU  36           HG       LEU  36  -1.058 -10.735 -13.860
  275   1HD1  LEU  36          1HD1      LEU  36  -2.590  -9.669 -15.076
  276   2HD1  LEU  36          2HD1      LEU  36  -1.826  -8.097 -14.837
  277   3HD1  LEU  36          3HD1      LEU  36  -1.237  -9.180 -16.098
  278   1HD2  LEU  36          1HD2      LEU  36   0.929  -9.048 -15.329
  279   2HD2  LEU  36          2HD2      LEU  36   1.428 -10.051 -13.966
  280   3HD2  LEU  36          3HD2      LEU  36   0.685 -10.794 -15.383
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1 -11.269 -13.521 -18.714
    2   2H    GLY   1          2H        GLY   1 -11.222 -12.038 -19.533
    3   3H    GLY   1          3H        GLY   1 -12.566 -13.057 -19.702
    4   1HA   GLY   1          2HA       GLY   1 -12.296 -10.992 -17.911
    5   2HA   GLY   1          1HA       GLY   1 -13.559 -12.216 -17.928
    6    H    SER   2           H        SER   2 -11.200 -10.822 -16.092
    7    HA   SER   2           HA       SER   2 -11.450 -12.771 -14.003
    8   1HB   SER   2          2HB       SER   2  -8.747 -12.330 -15.300
    9   2HB   SER   2          1HB       SER   2  -8.988 -13.142 -13.757
   10    HG   SER   2           HG       SER   2 -10.571 -14.164 -15.736
   11    HA   PRO   3           HA       PRO   3 -11.111  -8.949 -11.734
   12   1HB   PRO   3          2HB       PRO   3 -10.206 -10.702  -9.523
   13   2HB   PRO   3          1HB       PRO   3 -11.543  -9.551  -9.566
   14   1HG   PRO   3          2HG       PRO   3 -11.990 -12.184  -9.634
   15   2HG   PRO   3          1HG       PRO   3 -12.984 -11.060 -10.580
   16   1HD   PRO   3          2HD       PRO   3 -10.777 -12.860 -11.478
   17   2HD   PRO   3          1HD       PRO   3 -12.298 -12.443 -12.294
   18    HA   PRO   4           HA       PRO   4  -6.715  -8.309 -12.374
   19   1HB   PRO   4          2HB       PRO   4  -6.716  -5.698 -11.511
   20   2HB   PRO   4          1HB       PRO   4  -7.185  -6.202 -13.138
   21   1HG   PRO   4          2HG       PRO   4  -8.912  -5.556 -10.781
   22   2HG   PRO   4          1HG       PRO   4  -9.135  -5.126 -12.489
   23   1HD   PRO   4          2HD       PRO   4 -10.496  -7.142 -11.341
   24   2HD   PRO   4          1HD       PRO   4  -9.967  -7.218 -13.034
   25    H    LEU   5           H        LEU   5  -8.458  -7.655  -9.411
   26    HA   LEU   5           HA       LEU   5  -5.968  -7.916  -7.880
   27   1HB   LEU   5          2HB       LEU   5  -7.855  -6.021  -7.629
   28   2HB   LEU   5          1HB       LEU   5  -8.524  -7.224  -6.545
   29    HG   LEU   5           HG       LEU   5  -6.422  -7.219  -5.262
   30   1HD1  LEU   5          1HD1      LEU   5  -4.836  -6.594  -6.931
   31   2HD1  LEU   5          2HD1      LEU   5  -5.647  -5.050  -7.199
   32   3HD1  LEU   5          3HD1      LEU   5  -4.822  -5.360  -5.669
   33   1HD2  LEU   5          1HD2      LEU   5  -8.365  -5.730  -4.731
   34   2HD2  LEU   5          2HD2      LEU   5  -6.806  -5.172  -4.126
   35   3HD2  LEU   5          3HD2      LEU   5  -7.510  -4.432  -5.562
   36    HA   PRO   6           HA       PRO   6  -7.326 -12.125  -7.195
   37   1HB   PRO   6          2HB       PRO   6  -5.136 -12.097  -5.206
   38   2HB   PRO   6          1HB       PRO   6  -5.387 -13.167  -6.585
   39   1HG   PRO   6          2HG       PRO   6  -3.482 -11.293  -6.622
   40   2HG   PRO   6          1HG       PRO   6  -4.414 -11.692  -8.079
   41   1HD   PRO   6          2HD       PRO   6  -4.716  -9.368  -6.213
   42   2HD   PRO   6          1HD       PRO   6  -4.803  -9.407  -7.986
   43    HA   PRO   7           HA       PRO   7  -9.967 -11.673  -3.708
   44   1HB   PRO   7          2HB       PRO   7  -9.777 -14.615  -3.424
   45   2HB   PRO   7          1HB       PRO   7 -11.195 -13.604  -3.722
   46   1HG   PRO   7          2HG       PRO   7 -10.172 -15.115  -5.669
   47   2HG   PRO   7          1HG       PRO   7 -10.799 -13.490  -6.010
   48   1HD   PRO   7          2HD       PRO   7  -7.955 -14.388  -5.670
   49   2HD   PRO   7          1HD       PRO   7  -8.640 -13.283  -6.877
   50    H    GLY   8           H        GLY   8  -9.055 -10.810  -1.982
   51   1HA   GLY   8          1HA       GLY   8  -8.276 -11.530   0.334
   52   2HA   GLY   8          2HA       GLY   8  -6.953 -12.305  -0.542
   53    H    TRP   9           H        TRP   9  -7.217  -9.982  -2.506
   54    HA   TRP   9           HA       TRP   9  -5.557  -8.083  -1.034
   55   1HB   TRP   9          2HB       TRP   9  -6.205  -8.419  -3.966
   56   2HB   TRP   9          1HB       TRP   9  -5.264  -7.069  -3.339
   57    HD1  TRP   9           HD       TRP   9  -5.062 -10.858  -3.918
   58    HE1  TRP   9           1HE      TRP   9  -2.580 -11.563  -3.787
   59    HE3  TRP   9           3HE      TRP   9  -3.038  -6.435  -2.364
   60    HZ2  TRP   9           2HZ      TRP   9  -0.092 -10.375  -3.110
   61    HZ3  TRP   9           3HZ      TRP   9  -0.617  -6.305  -2.000
   62    HH2  TRP   9           HH       TRP   9   0.830  -8.232  -2.365
   63    H    GLU  10           H        GLU  10  -6.147  -5.949  -0.704
   64    HA   GLU  10           HA       GLU  10  -8.940  -5.287  -1.384
   65   1HB   GLU  10          2HB       GLU  10  -7.855  -5.610   1.138
   66   2HB   GLU  10          1HB       GLU  10  -7.818  -3.869   0.901
   67   1HG   GLU  10          2HG       GLU  10 -10.240  -3.977   0.309
   68   2HG   GLU  10          1HG       GLU  10 -10.219  -5.673   0.789
   69    H    GLU  11           H        GLU  11  -9.108  -3.636  -2.740
   70    HA   GLU  11           HA       GLU  11  -6.933  -1.831  -3.254
   71   1HB   GLU  11          2HB       GLU  11  -9.073  -2.684  -4.716
   72   2HB   GLU  11          1HB       GLU  11  -9.620  -1.092  -4.212
   73   1HG   GLU  11          2HG       GLU  11  -8.079  -0.008  -5.472
   74   2HG   GLU  11          1HG       GLU  11  -6.883  -1.294  -5.312
   75    H    LYS  12           H        LYS  12  -6.435  -0.367  -1.750
   76    HA   LYS  12           HA       LYS  12  -8.630   1.195  -0.548
   77   1HB   LYS  12          2HB       LYS  12  -6.103   0.329   0.865
   78   2HB   LYS  12          1HB       LYS  12  -7.412   1.274   1.556
   79   1HG   LYS  12          2HG       LYS  12  -8.756  -0.931   0.754
   80   2HG   LYS  12          1HG       LYS  12  -7.180  -1.621   1.143
   81   1HD   LYS  12          2HD       LYS  12  -9.100  -0.167   2.933
   82   2HD   LYS  12          1HD       LYS  12  -8.366  -1.755   3.150
   83   1HE   LYS  12          2HE       LYS  12  -6.786  -0.824   4.395
   84   2HE   LYS  12          1HE       LYS  12  -6.259   0.103   2.991
   85   1HZ   LYS  12          1HZ       LYS  12  -6.719   1.659   4.676
   86   2HZ   LYS  12          2HZ       LYS  12  -8.184   0.920   5.095
   87   3HZ   LYS  12          3HZ       LYS  12  -8.040   1.752   3.618
   88    H    VAL  13           H        VAL  13  -8.351   3.362  -0.545
   89    HA   VAL  13           HA       VAL  13  -5.970   4.447  -1.787
   90    HB   VAL  13           HB       VAL  13  -8.611   5.567  -0.951
   91   1HG1  VAL  13          1HG1      VAL  13  -7.891   7.858  -1.232
   92   2HG1  VAL  13          2HG1      VAL  13  -6.966   7.108   0.069
   93   3HG1  VAL  13          3HG1      VAL  13  -6.231   7.334  -1.520
   94   1HG2  VAL  13          1HG2      VAL  13  -8.922   5.775  -3.145
   95   2HG2  VAL  13          2HG2      VAL  13  -7.353   6.550  -3.376
   96   3HG2  VAL  13          3HG2      VAL  13  -7.470   4.792  -3.330
   97    H    ASP  14           H        ASP  14  -4.348   5.496  -0.786
   98    HA   ASP  14           HA       ASP  14  -3.760   4.908   1.878
   99   1HB   ASP  14          2HB       ASP  14  -1.777   6.158   1.579
  100   2HB   ASP  14          1HB       ASP  14  -2.141   5.480  -0.002
  101    H    ASN  15           H        ASN  15  -4.840   7.910   0.388
  102    HA   ASN  15           HA       ASN  15  -6.390   8.915   2.433
  103   1HB   ASN  15          2HB       ASN  15  -4.640   9.162   3.967
  104   2HB   ASN  15          1HB       ASN  15  -3.466   9.548   2.715
  105   1HD2  ASN  15          1HD2      ASN  15  -2.985  11.616   2.360
  106   2HD2  ASN  15          2HD2      ASN  15  -3.853  12.969   3.015
  107    H    LEU  16           H        LEU  16  -3.854   9.780   0.127
  108    HA   LEU  16           HA       LEU  16  -5.407  12.124  -0.675
  109   1HB   LEU  16          2HB       LEU  16  -3.427  13.117  -0.674
  110   2HB   LEU  16          1HB       LEU  16  -2.623  11.593  -0.360
  111    HG   LEU  16           HG       LEU  16  -3.133  11.475  -3.071
  112   1HD1  LEU  16          1HD1      LEU  16  -2.054  14.221  -2.534
  113   2HD1  LEU  16          2HD1      LEU  16  -2.574  13.518  -4.066
  114   3HD1  LEU  16          3HD1      LEU  16  -3.767  13.934  -2.836
  115   1HD2  LEU  16          1HD2      LEU  16  -0.962  11.008  -3.045
  116   2HD2  LEU  16          2HD2      LEU  16  -0.556  12.632  -2.487
  117   3HD2  LEU  16          3HD2      LEU  16  -0.980  11.381  -1.321
  118    H    GLY  17           H        GLY  17  -3.867   9.219  -2.077
  119   1HA   GLY  17          1HA       GLY  17  -5.772   8.634  -3.924
  120   2HA   GLY  17          2HA       GLY  17  -4.845   9.895  -4.712
  121    H    ARG  18           H        ARG  18  -3.210   7.620  -2.592
  122    HA   ARG  18           HA       ARG  18  -2.219   6.256  -5.007
  123   1HB   ARG  18          2HB       ARG  18  -0.834   5.518  -2.540
  124   2HB   ARG  18          1HB       ARG  18  -0.185   6.060  -4.076
  125   1HG   ARG  18          2HG       ARG  18  -0.481   8.356  -3.476
  126   2HG   ARG  18          1HG       ARG  18  -1.332   7.900  -1.998
  127   1HD   ARG  18          2HD       ARG  18   0.615   7.024  -1.021
  128   2HD   ARG  18          1HD       ARG  18   1.478   7.015  -2.559
  129    HE   ARG  18           HE       ARG  18   1.416   9.485  -2.436
  130   1HH1  ARG  18          2HH1      ARG  18   1.024   7.607   0.497
  131   2HH1  ARG  18          1HH1      ARG  18   1.612   8.862   1.542
  132   1HH2  ARG  18          2HH2      ARG  18   2.181  11.155  -1.070
  133   2HH2  ARG  18          1HH2      ARG  18   2.288  10.875   0.644
  134    H    THR  19           H        THR  19  -3.940   4.951  -5.323
  135    HA   THR  19           HA       THR  19  -5.203   3.399  -3.344
  136    HB   THR  19           HB       THR  19  -5.308   2.213  -5.989
  137    HG1  THR  19           1HG      THR  19  -4.994   4.090  -6.988
  138   1HG2  THR  19          1HG2      THR  19  -7.316   1.783  -5.114
  139   2HG2  THR  19          2HG2      THR  19  -7.735   3.477  -5.364
  140   3HG2  THR  19          3HG2      THR  19  -7.057   2.953  -3.823
  141    H    TYR  20           H        TYR  20  -3.905   2.096  -2.154
  142    HA   TYR  20           HA       TYR  20  -2.089   0.332  -3.583
  143   1HB   TYR  20          2HB       TYR  20  -1.095  -0.216  -1.429
  144   2HB   TYR  20          1HB       TYR  20  -1.145   1.526  -1.650
  145    HD1  TYR  20           1HD      TYR  20  -2.633   2.909  -0.308
  146    HD2  TYR  20           2HD      TYR  20  -2.429  -1.303   0.269
  147    HE1  TYR  20           1HE      TYR  20  -3.790   3.151   1.844
  148    HE2  TYR  20           2HE      TYR  20  -3.603  -1.063   2.416
  149    HH   TYR  20           HH       TYR  20  -3.961   1.902   3.983
  150    H    TYR  21           H        TYR  21  -1.925  -1.900  -2.589
  151    HA   TYR  21           HA       TYR  21  -4.657  -2.965  -2.376
  152   1HB   TYR  21          2HB       TYR  21  -2.397  -4.409  -3.763
  153   2HB   TYR  21          1HB       TYR  21  -4.131  -4.708  -3.892
  154    HD1  TYR  21           1HD      TYR  21  -1.413  -3.413  -5.622
  155    HD2  TYR  21           2HD      TYR  21  -5.468  -2.500  -4.715
  156    HE1  TYR  21           1HE      TYR  21  -1.514  -1.930  -7.577
  157    HE2  TYR  21           2HE      TYR  21  -5.577  -1.025  -6.676
  158    HH   TYR  21           HH       TYR  21  -4.521  -0.234  -8.454
  159    H    VAL  22           H        VAL  22  -4.796  -3.500  -0.304
  160    HA   VAL  22           HA       VAL  22  -2.452  -4.583   1.041
  161    HB   VAL  22           HB       VAL  22  -3.491  -2.929   2.345
  162   1HG1  VAL  22          1HG1      VAL  22  -6.076  -4.288   1.700
  163   2HG1  VAL  22          2HG1      VAL  22  -5.921  -3.168   3.053
  164   3HG1  VAL  22          3HG1      VAL  22  -5.599  -2.617   1.410
  165   1HG2  VAL  22          1HG2      VAL  22  -3.021  -5.340   3.369
  166   2HG2  VAL  22          2HG2      VAL  22  -3.633  -4.002   4.340
  167   3HG2  VAL  22          3HG2      VAL  22  -4.744  -5.227   3.730
  168    H    ASN  23           H        ASN  23  -2.114  -6.632   0.890
  169    HA   ASN  23           HA       ASN  23  -4.105  -8.579   0.330
  170   1HB   ASN  23          2HB       ASN  23  -1.741  -8.863  -0.290
  171   2HB   ASN  23          1HB       ASN  23  -1.292  -8.892   1.413
  172   1HD2  ASN  23          1HD2      ASN  23  -3.003 -10.610  -1.122
  173   2HD2  ASN  23          2HD2      ASN  23  -2.934 -12.166  -0.367
  174    H    HIS  24           H        HIS  24  -5.112 -10.050   1.755
  175    HA   HIS  24           HA       HIS  24  -4.983  -9.227   4.579
  176   1HB   HIS  24          2HB       HIS  24  -7.169 -10.305   2.857
  177   2HB   HIS  24          1HB       HIS  24  -7.208 -10.659   4.582
  178    HD1  HIS  24           1HD      HIS  24  -9.043  -9.149   5.356
  179    HD2  HIS  24           2HD      HIS  24  -6.222  -7.183   3.026
  180    HE1  HIS  24           1HE      HIS  24  -9.660  -6.715   5.460
  181    HE2  HIS  24           2HE      HIS  24  -8.111  -5.582   3.825
  182    H    ASN  25           H        ASN  25  -3.586 -11.451   2.755
  183    HA   ASN  25           HA       ASN  25  -4.030 -13.748   4.512
  184   1HB   ASN  25          2HB       ASN  25  -3.272 -13.378   1.768
  185   2HB   ASN  25          1HB       ASN  25  -1.997 -14.265   2.592
  186   1HD2  ASN  25          1HD2      ASN  25  -4.599 -14.656   0.772
  187   2HD2  ASN  25          2HD2      ASN  25  -5.176 -16.184   1.339
  188    H    ASN  26           H        ASN  26  -1.149 -12.243   3.059
  189    HA   ASN  26           HA       ASN  26   0.297 -12.636   5.589
  190   1HB   ASN  26          2HB       ASN  26   1.038 -12.811   2.838
  191   2HB   ASN  26          1HB       ASN  26   1.967 -11.506   3.572
  192   1HD2  ASN  26          1HD2      ASN  26   2.610 -14.301   2.638
  193   2HD2  ASN  26          2HD2      ASN  26   3.459 -15.011   3.978
  194    H    ARG  27           H        ARG  27  -1.325 -10.326   3.784
  195    HA   ARG  27           HA       ARG  27  -1.872  -8.189   4.170
  196   1HB   ARG  27          2HB       ARG  27  -0.482  -8.736   6.771
  197   2HB   ARG  27          1HB       ARG  27  -1.165  -7.157   6.390
  198   1HG   ARG  27          2HG       ARG  27  -3.323  -7.917   6.441
  199   2HG   ARG  27          1HG       ARG  27  -2.859  -9.581   6.075
  200   1HD   ARG  27          2HD       ARG  27  -1.603  -9.059   8.477
  201   2HD   ARG  27          1HD       ARG  27  -3.159  -8.243   8.632
  202    HE   ARG  27           HE       ARG  27  -2.797 -11.116   8.088
  203   1HH1  ARG  27          2HH1      ARG  27  -4.707  -8.440   9.276
  204   2HH1  ARG  27          1HH1      ARG  27  -5.982  -9.457   9.878
  205   1HH2  ARG  27          2HH2      ARG  27  -4.479 -12.455   8.875
  206   2HH2  ARG  27          1HH2      ARG  27  -5.854 -11.725   9.650
  207    H    SER  28           H        SER  28   0.226  -8.613   2.492
  208    HA   SER  28           HA       SER  28   2.212  -6.592   2.911
  209   1HB   SER  28          2HB       SER  28   1.628  -7.287   0.127
  210   2HB   SER  28          1HB       SER  28   3.124  -7.489   1.044
  211    HG   SER  28           HG       SER  28   2.511  -9.461   1.682
  212    H    THR  29           H        THR  29   2.097  -4.448   2.339
  213    HA   THR  29           HA       THR  29  -0.496  -3.529   1.271
  214    HB   THR  29           HB       THR  29   0.706  -1.380   2.612
  215    HG1  THR  29           1HG      THR  29   0.734  -3.720   4.251
  216   1HG2  THR  29          1HG2      THR  29  -1.268  -2.958   4.121
  217   2HG2  THR  29          2HG2      THR  29  -1.743  -2.528   2.480
  218   3HG2  THR  29          3HG2      THR  29  -1.305  -1.264   3.630
  219    H    GLN  30           H        GLN  30   0.510  -3.764  -0.857
  220    HA   GLN  30           HA       GLN  30   2.615  -1.788  -1.415
  221   1HB   GLN  30          2HB       GLN  30   2.963  -3.153  -3.523
  222   2HB   GLN  30          1HB       GLN  30   3.420  -3.922  -2.012
  223   1HG   GLN  30          2HG       GLN  30   1.262  -5.161  -2.065
  224   2HG   GLN  30          1HG       GLN  30   0.942  -4.452  -3.639
  225   1HE2  GLN  30          1HE2      GLN  30   1.283  -5.828  -5.144
  226   2HE2  GLN  30          2HE2      GLN  30   2.548  -6.997  -5.205
  227    H    TRP  31           H        TRP  31   2.343  -0.226  -3.011
  228    HA   TRP  31           HA       TRP  31  -0.354  -0.005  -4.068
  229   1HB   TRP  31          2HB       TRP  31   1.296   2.125  -5.036
  230   2HB   TRP  31          1HB       TRP  31  -0.090   2.205  -3.966
  231    HD1  TRP  31           HD       TRP  31   3.686   1.458  -3.616
  232    HE1  TRP  31           1HE      TRP  31   4.517   2.531  -1.436
  233    HE3  TRP  31           3HE      TRP  31  -0.732   3.381  -1.956
  234    HZ2  TRP  31           2HZ      TRP  31   3.435   4.022   0.703
  235    HZ3  TRP  31           3HZ      TRP  31  -0.752   4.631   0.161
  236    HH2  TRP  31           HH       TRP  31   1.286   4.949   1.459
  237    H    HIS  32           H        HIS  32   2.064  -1.766  -4.994
  238    HA   HIS  32           HA       HIS  32   1.507  -1.290  -7.842
  239   1HB   HIS  32          2HB       HIS  32   3.542  -2.702  -8.300
  240   2HB   HIS  32          1HB       HIS  32   3.883  -1.161  -7.530
  241    HD1  HIS  32           1HD      HIS  32   3.961  -4.860  -6.914
  242    HD2  HIS  32           2HD      HIS  32   5.010  -1.327  -4.976
  243    HE1  HIS  32           1HE      HIS  32   5.306  -5.553  -4.905
  244    HE2  HIS  32           2HE      HIS  32   5.813  -3.421  -3.678
  245    H    ARG  33           H        ARG  33   0.484  -2.876  -8.965
  246    HA   ARG  33           HA       ARG  33  -0.875  -4.785  -7.290
  247   1HB   ARG  33          2HB       ARG  33  -1.808  -3.373  -9.278
  248   2HB   ARG  33          1HB       ARG  33  -1.203  -4.702 -10.262
  249   1HG   ARG  33          2HG       ARG  33  -2.595  -6.265  -9.103
  250   2HG   ARG  33          1HG       ARG  33  -3.090  -5.034  -7.945
  251   1HD   ARG  33          2HD       ARG  33  -4.476  -5.739 -10.194
  252   2HD   ARG  33          1HD       ARG  33  -4.668  -4.232  -9.304
  253    HE   ARG  33           HE       ARG  33  -2.650  -4.241 -11.408
  254   1HH1  ARG  33          2HH1      ARG  33  -5.933  -3.453 -10.434
  255   2HH1  ARG  33          1HH1      ARG  33  -6.172  -2.315 -11.727
  256   1HH2  ARG  33          2HH2      ARG  33  -2.983  -2.754 -13.115
  257   2HH2  ARG  33          1HH2      ARG  33  -4.509  -1.938 -13.268
  258    HA   PRO  34           HA       PRO  34   1.826  -8.242  -8.071
  259   1HB   PRO  34          2HB       PRO  34  -0.079 -10.129  -7.338
  260   2HB   PRO  34          1HB       PRO  34   1.053  -9.340  -6.240
  261   1HG   PRO  34          2HG       PRO  34  -1.821  -8.753  -6.735
  262   2HG   PRO  34          1HG       PRO  34  -0.878  -8.613  -5.243
  263   1HD   PRO  34          2HD       PRO  34  -1.592  -6.475  -6.741
  264   2HD   PRO  34          1HD       PRO  34  -0.104  -6.527  -5.777
  265    H    SER  35           H        SER  35   2.036  -8.322 -10.254
  266    HA   SER  35           HA       SER  35  -0.106  -8.585 -12.067
  267   1HB   SER  35          2HB       SER  35   2.337  -9.420 -13.275
  268   2HB   SER  35          1HB       SER  35   1.510  -7.868 -13.434
  269    HG   SER  35           HG       SER  35   3.676  -8.585 -11.843
  270    H    LEU  36           H        LEU  36  -1.103 -10.300 -12.854
  271    HA   LEU  36           HA       LEU  36   0.254 -12.889 -12.866
  272   1HB   LEU  36          2HB       LEU  36  -1.954 -12.202 -11.166
  273   2HB   LEU  36          1HB       LEU  36  -2.489 -13.385 -12.343
  274    HG   LEU  36           HG       LEU  36  -0.679 -13.697 -10.037
  275   1HD1  LEU  36          1HD1      LEU  36  -2.336 -15.693 -11.565
  276   2HD1  LEU  36          2HD1      LEU  36  -1.671 -15.869  -9.942
  277   3HD1  LEU  36          3HD1      LEU  36  -2.947 -14.691 -10.248
  278   1HD2  LEU  36          1HD2      LEU  36   0.228 -14.400 -12.690
  279   2HD2  LEU  36          2HD2      LEU  36   1.085 -14.471 -11.149
  280   3HD2  LEU  36          3HD2      LEU  36   0.073 -15.823 -11.660
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -7.200 -14.437 -14.761
    2   2H    GLY   1          2H        GLY   1  -8.550 -15.170 -15.478
    3   3H    GLY   1          3H        GLY   1  -7.491 -16.092 -14.523
    4   1HA   GLY   1          2HA       GLY   1  -9.079 -15.764 -12.974
    5   2HA   GLY   1          1HA       GLY   1  -8.138 -14.301 -12.725
    6    H    SER   2           H        SER   2 -11.176 -15.304 -12.846
    7    HA   SER   2           HA       SER   2 -12.378 -13.441 -14.627
    8   1HB   SER   2          2HB       SER   2 -13.971 -14.347 -12.305
    9   2HB   SER   2          1HB       SER   2 -14.347 -14.403 -14.027
   10    HG   SER   2           HG       SER   2 -14.052 -16.499 -13.255
   11    HA   PRO   3           HA       PRO   3 -12.842 -10.587 -10.775
   12   1HB   PRO   3          2HB       PRO   3 -11.163 -11.741  -8.678
   13   2HB   PRO   3          1HB       PRO   3 -12.851 -11.232  -8.592
   14   1HG   PRO   3          2HG       PRO   3 -12.115 -13.831  -8.476
   15   2HG   PRO   3          1HG       PRO   3 -13.645 -13.306  -9.203
   16   1HD   PRO   3          2HD       PRO   3 -11.069 -14.060 -10.544
   17   2HD   PRO   3          1HD       PRO   3 -12.736 -14.483 -10.990
   18    HA   PRO   4           HA       PRO   4  -8.974  -8.853 -12.179
   19   1HB   PRO   4          2HB       PRO   4  -9.801  -6.526 -10.545
   20   2HB   PRO   4          1HB       PRO   4  -9.421  -6.612 -12.268
   21   1HG   PRO   4          2HG       PRO   4 -11.941  -6.330 -11.432
   22   2HG   PRO   4          1HG       PRO   4 -11.546  -7.337 -12.837
   23   1HD   PRO   4          2HD       PRO   4 -12.190  -8.168 -10.032
   24   2HD   PRO   4          1HD       PRO   4 -12.700  -8.897 -11.569
   25    H    LEU   5           H        LEU   5  -9.978  -9.013  -8.855
   26    HA   LEU   5           HA       LEU   5  -7.179  -8.723  -7.997
   27   1HB   LEU   5          2HB       LEU   5  -9.418  -7.375  -7.106
   28   2HB   LEU   5          1HB       LEU   5  -9.209  -8.634  -5.902
   29    HG   LEU   5           HG       LEU   5  -7.099  -7.826  -5.252
   30   1HD1  LEU   5          1HD1      LEU   5  -5.919  -6.019  -6.455
   31   2HD1  LEU   5          2HD1      LEU   5  -6.067  -7.508  -7.387
   32   3HD1  LEU   5          3HD1      LEU   5  -7.118  -6.140  -7.742
   33   1HD2  LEU   5          1HD2      LEU   5  -9.191  -5.774  -5.650
   34   2HD2  LEU   5          2HD2      LEU   5  -8.436  -6.360  -4.167
   35   3HD2  LEU   5          3HD2      LEU   5  -7.583  -5.206  -5.194
   36    HA   PRO   6           HA       PRO   6  -7.374 -13.061  -6.957
   37   1HB   PRO   6          2HB       PRO   6  -5.081 -12.505  -5.202
   38   2HB   PRO   6          1HB       PRO   6  -5.181 -13.567  -6.608
   39   1HG   PRO   6          2HG       PRO   6  -3.808 -11.255  -6.674
   40   2HG   PRO   6          1HG       PRO   6  -4.675 -11.873  -8.092
   41   1HD   PRO   6          2HD       PRO   6  -5.477  -9.724  -6.164
   42   2HD   PRO   6          1HD       PRO   6  -5.642  -9.771  -7.930
   43    HA   PRO   7           HA       PRO   7  -9.580 -13.262  -3.179
   44   1HB   PRO   7          2HB       PRO   7  -8.203 -15.812  -2.581
   45   2HB   PRO   7          1HB       PRO   7  -9.925 -15.484  -2.788
   46   1HG   PRO   7          2HG       PRO   7  -8.531 -16.787  -4.657
   47   2HG   PRO   7          1HG       PRO   7  -9.815 -15.643  -5.090
   48   1HD   PRO   7          2HD       PRO   7  -6.848 -15.278  -5.153
   49   2HD   PRO   7          1HD       PRO   7  -8.077 -14.716  -6.304
   50    H    GLY   8           H        GLY   8  -8.821 -11.727  -1.795
   51   1HA   GLY   8          1HA       GLY   8  -8.019 -11.694   0.547
   52   2HA   GLY   8          2HA       GLY   8  -6.607 -12.575  -0.025
   53    H    TRP   9           H        TRP   9  -7.626 -10.243  -2.247
   54    HA   TRP   9           HA       TRP   9  -5.677  -8.311  -1.170
   55   1HB   TRP   9          2HB       TRP   9  -6.563  -8.910  -3.986
   56   2HB   TRP   9          1HB       TRP   9  -5.714  -7.424  -3.572
   57    HD1  TRP   9           HD       TRP   9  -5.188 -11.149  -4.034
   58    HE1  TRP   9           1HE      TRP   9  -2.666 -11.658  -4.023
   59    HE3  TRP   9           3HE      TRP   9  -3.466  -6.566  -2.598
   60    HZ2  TRP   9           2HZ      TRP   9  -0.257 -10.283  -3.464
   61    HZ3  TRP   9           3HZ      TRP   9  -1.046  -6.245  -2.338
   62    HH2  TRP   9           HH       TRP   9   0.530  -8.063  -2.763
   63    H    GLU  10           H        GLU  10  -6.268  -6.167  -0.926
   64    HA   GLU  10           HA       GLU  10  -9.064  -5.507  -1.553
   65   1HB   GLU  10          2HB       GLU  10  -8.938  -6.126   0.793
   66   2HB   GLU  10          1HB       GLU  10  -7.609  -5.010   1.048
   67   1HG   GLU  10          2HG       GLU  10  -9.020  -3.132   0.752
   68   2HG   GLU  10          1HG       GLU  10 -10.339  -4.142   0.168
   69    H    GLU  11           H        GLU  11  -9.172  -3.761  -2.776
   70    HA   GLU  11           HA       GLU  11  -6.875  -2.045  -3.170
   71   1HB   GLU  11          2HB       GLU  11  -8.653  -2.825  -4.900
   72   2HB   GLU  11          1HB       GLU  11  -9.642  -1.534  -4.235
   73   1HG   GLU  11          2HG       GLU  11  -8.000   0.110  -4.861
   74   2HG   GLU  11          1HG       GLU  11  -6.902  -1.154  -5.413
   75    H    LYS  12           H        LYS  12  -6.432  -0.442  -1.819
   76    HA   LYS  12           HA       LYS  12  -8.642   1.098  -0.616
   77   1HB   LYS  12          2HB       LYS  12  -6.682  -0.562   0.715
   78   2HB   LYS  12          1HB       LYS  12  -6.492   1.112   1.208
   79   1HG   LYS  12          2HG       LYS  12  -9.006   1.078   1.657
   80   2HG   LYS  12          1HG       LYS  12  -8.869  -0.676   1.531
   81   1HD   LYS  12          2HD       LYS  12  -6.860   0.590   3.261
   82   2HD   LYS  12          1HD       LYS  12  -8.524   0.737   3.832
   83   1HE   LYS  12          2HE       LYS  12  -7.555  -1.917   2.890
   84   2HE   LYS  12          1HE       LYS  12  -7.025  -1.339   4.466
   85   1HZ   LYS  12          1HZ       LYS  12  -9.880  -1.158   3.896
   86   2HZ   LYS  12          2HZ       LYS  12  -9.087  -1.557   5.339
   87   3HZ   LYS  12          3HZ       LYS  12  -9.247  -2.720   4.110
   88    H    VAL  13           H        VAL  13  -8.209   3.323  -0.343
   89    HA   VAL  13           HA       VAL  13  -5.661   4.256  -1.478
   90    HB   VAL  13           HB       VAL  13  -8.278   5.691  -1.013
   91   1HG1  VAL  13          1HG1      VAL  13  -5.635   6.900  -1.809
   92   2HG1  VAL  13          2HG1      VAL  13  -7.191   7.730  -1.844
   93   3HG1  VAL  13          3HG1      VAL  13  -6.509   7.196  -0.307
   94   1HG2  VAL  13          1HG2      VAL  13  -8.166   6.104  -3.410
   95   2HG2  VAL  13          2HG2      VAL  13  -6.615   5.267  -3.491
   96   3HG2  VAL  13          3HG2      VAL  13  -8.080   4.375  -3.069
   97    H    ASP  14           H        ASP  14  -4.111   4.928  -0.143
   98    HA   ASP  14           HA       ASP  14  -4.810   5.333   2.674
   99   1HB   ASP  14          2HB       ASP  14  -3.024   3.677   2.025
  100   2HB   ASP  14          1HB       ASP  14  -2.049   5.040   1.487
  101    H    ASN  15           H        ASN  15  -2.056   6.673   0.916
  102    HA   ASN  15           HA       ASN  15  -2.433   9.190   2.245
  103   1HB   ASN  15          2HB       ASN  15  -0.215   7.874   1.420
  104   2HB   ASN  15          1HB       ASN  15  -0.412   9.017   0.095
  105   1HD2  ASN  15          1HD2      ASN  15  -0.402  11.274   0.570
  106   2HD2  ASN  15          2HD2      ASN  15   0.380  11.861   2.000
  107    H    LEU  16           H        LEU  16  -4.615   9.305   1.077
  108    HA   LEU  16           HA       LEU  16  -5.970  10.501  -0.321
  109   1HB   LEU  16          2HB       LEU  16  -3.662  12.415  -0.218
  110   2HB   LEU  16          1HB       LEU  16  -5.341  12.817  -0.511
  111    HG   LEU  16           HG       LEU  16  -4.713  11.455   2.052
  112   1HD1  LEU  16          1HD1      LEU  16  -4.342  14.400   1.982
  113   2HD1  LEU  16          2HD1      LEU  16  -3.686  13.198   3.096
  114   3HD1  LEU  16          3HD1      LEU  16  -2.997  13.372   1.483
  115   1HD2  LEU  16          1HD2      LEU  16  -6.822  12.057   2.385
  116   2HD2  LEU  16          2HD2      LEU  16  -6.318  13.746   2.349
  117   3HD2  LEU  16          3HD2      LEU  16  -6.843  12.952   0.867
  118    H    GLY  17           H        GLY  17  -4.972   8.694  -1.971
  119   1HA   GLY  17          1HA       GLY  17  -5.589   9.359  -4.413
  120   2HA   GLY  17          2HA       GLY  17  -4.041  10.181  -4.328
  121    H    ARG  18           H        ARG  18  -2.899   7.973  -2.663
  122    HA   ARG  18           HA       ARG  18  -2.140   6.361  -4.957
  123   1HB   ARG  18          2HB       ARG  18  -0.892   5.473  -2.510
  124   2HB   ARG  18          1HB       ARG  18  -0.150   6.123  -3.958
  125   1HG   ARG  18          2HG       ARG  18  -0.981   8.412  -2.923
  126   2HG   ARG  18          1HG       ARG  18  -0.892   7.479  -1.427
  127   1HD   ARG  18          2HD       ARG  18   1.332   7.578  -1.403
  128   2HD   ARG  18          1HD       ARG  18   1.438   7.046  -3.082
  129    HE   ARG  18           HE       ARG  18   1.139   9.366  -3.741
  130   1HH1  ARG  18          2HH1      ARG  18   2.138   8.716  -0.453
  131   2HH1  ARG  18          1HH1      ARG  18   2.693  10.340  -0.165
  132   1HH2  ARG  18          2HH2      ARG  18   1.863  11.490  -3.382
  133   2HH2  ARG  18          1HH2      ARG  18   2.533  11.925  -1.831
  134    H    THR  19           H        THR  19  -3.515   4.819  -5.454
  135    HA   THR  19           HA       THR  19  -5.020   3.362  -3.516
  136    HB   THR  19           HB       THR  19  -4.799   2.052  -6.089
  137    HG1  THR  19           1HG      THR  19  -6.024   4.133  -6.954
  138   1HG2  THR  19          1HG2      THR  19  -6.672   2.014  -4.329
  139   2HG2  THR  19          2HG2      THR  19  -7.142   2.109  -6.026
  140   3HG2  THR  19          3HG2      THR  19  -7.171   3.558  -5.022
  141    H    TYR  20           H        TYR  20  -4.108   1.913  -2.236
  142    HA   TYR  20           HA       TYR  20  -2.006   0.226  -3.377
  143   1HB   TYR  20          2HB       TYR  20  -0.960   0.027  -1.297
  144   2HB   TYR  20          1HB       TYR  20  -1.401   1.722  -1.386
  145    HD1  TYR  20           1HD      TYR  20  -1.629  -1.295   0.475
  146    HD2  TYR  20           2HD      TYR  20  -3.531   2.452  -0.146
  147    HE1  TYR  20           1HE      TYR  20  -2.740  -1.503   2.650
  148    HE2  TYR  20           2HE      TYR  20  -4.663   2.250   2.025
  149    HH   TYR  20           HH       TYR  20  -4.493   1.114   4.102
  150    H    TYR  21           H        TYR  21  -1.933  -1.972  -2.627
  151    HA   TYR  21           HA       TYR  21  -4.687  -2.969  -2.402
  152   1HB   TYR  21          2HB       TYR  21  -2.343  -4.080  -3.970
  153   2HB   TYR  21          1HB       TYR  21  -3.832  -4.971  -3.692
  154    HD1  TYR  21           1HD      TYR  21  -3.656  -1.336  -4.402
  155    HD2  TYR  21           2HD      TYR  21  -4.538  -5.188  -5.955
  156    HE1  TYR  21           1HE      TYR  21  -4.661  -0.294  -6.385
  157    HE2  TYR  21           2HE      TYR  21  -5.558  -4.157  -7.937
  158    HH   TYR  21           HH       TYR  21  -6.574  -1.156  -8.142
  159    H    VAL  22           H        VAL  22  -4.943  -3.608  -0.418
  160    HA   VAL  22           HA       VAL  22  -2.643  -4.560   1.094
  161    HB   VAL  22           HB       VAL  22  -3.863  -2.857   2.200
  162   1HG1  VAL  22          1HG1      VAL  22  -6.381  -4.089   2.738
  163   2HG1  VAL  22          2HG1      VAL  22  -6.027  -2.508   2.042
  164   3HG1  VAL  22          3HG1      VAL  22  -6.126  -3.925   1.002
  165   1HG2  VAL  22          1HG2      VAL  22  -4.536  -5.490   3.484
  166   2HG2  VAL  22          2HG2      VAL  22  -3.029  -4.594   3.668
  167   3HG2  VAL  22          3HG2      VAL  22  -4.535  -3.922   4.296
  168    H    ASN  23           H        ASN  23  -2.235  -6.604   0.889
  169    HA   ASN  23           HA       ASN  23  -4.155  -8.618   0.377
  170   1HB   ASN  23          2HB       ASN  23  -1.691  -8.753  -0.135
  171   2HB   ASN  23          1HB       ASN  23  -1.408  -8.977   1.589
  172   1HD2  ASN  23          1HD2      ASN  23  -2.767 -10.386  -1.298
  173   2HD2  ASN  23          2HD2      ASN  23  -2.831 -12.004  -0.699
  174    H    HIS  24           H        HIS  24  -5.185 -10.030   1.779
  175    HA   HIS  24           HA       HIS  24  -5.249  -9.106   4.563
  176   1HB   HIS  24          2HB       HIS  24  -7.213 -10.452   2.758
  177   2HB   HIS  24          1HB       HIS  24  -7.362 -10.701   4.493
  178    HD1  HIS  24           1HD      HIS  24  -9.591  -9.389   4.578
  179    HD2  HIS  24           2HD      HIS  24  -6.348  -7.168   3.208
  180    HE1  HIS  24           1HE      HIS  24 -10.347  -6.993   4.619
  181    HE2  HIS  24           2HE      HIS  24  -8.438  -5.679   3.636
  182    H    ASN  25           H        ASN  25  -3.837 -11.492   2.762
  183    HA   ASN  25           HA       ASN  25  -4.080 -13.581   4.798
  184   1HB   ASN  25          2HB       ASN  25  -3.738 -13.575   1.973
  185   2HB   ASN  25          1HB       ASN  25  -2.302 -14.306   2.675
  186   1HD2  ASN  25          1HD2      ASN  25  -5.324 -14.914   1.556
  187   2HD2  ASN  25          2HD2      ASN  25  -5.629 -16.413   2.354
  188    H    ASN  26           H        ASN  26  -1.595 -11.715   3.103
  189    HA   ASN  26           HA       ASN  26   0.293 -12.366   5.274
  190   1HB   ASN  26          2HB       ASN  26   0.950 -13.182   3.043
  191   2HB   ASN  26          1HB       ASN  26   0.858 -11.542   2.416
  192   1HD2  ASN  26          1HD2      ASN  26   2.391 -13.312   5.097
  193   2HD2  ASN  26          2HD2      ASN  26   3.933 -12.527   4.946
  194    H    ARG  27           H        ARG  27  -1.668  -9.973   4.134
  195    HA   ARG  27           HA       ARG  27  -1.758  -7.738   4.100
  196   1HB   ARG  27          2HB       ARG  27  -1.446  -8.611   6.625
  197   2HB   ARG  27          1HB       ARG  27  -0.140  -7.428   6.526
  198   1HG   ARG  27          2HG       ARG  27  -1.914  -5.858   5.558
  199   2HG   ARG  27          1HG       ARG  27  -3.078  -7.044   6.159
  200   1HD   ARG  27          2HD       ARG  27  -2.992  -5.858   8.070
  201   2HD   ARG  27          1HD       ARG  27  -1.458  -6.688   8.331
  202    HE   ARG  27           HE       ARG  27  -0.321  -4.731   7.848
  203   1HH1  ARG  27          2HH1      ARG  27  -3.744  -4.335   7.186
  204   2HH1  ARG  27          1HH1      ARG  27  -3.629  -2.613   6.998
  205   1HH2  ARG  27          2HH2      ARG  27  -0.191  -2.443   7.619
  206   2HH2  ARG  27          1HH2      ARG  27  -1.630  -1.543   7.236
  207    H    SER  28           H        SER  28   0.237  -8.518   2.417
  208    HA   SER  28           HA       SER  28   2.438  -6.702   2.739
  209   1HB   SER  28          2HB       SER  28   1.785  -7.560   0.007
  210   2HB   SER  28          1HB       SER  28   3.276  -7.775   0.927
  211    HG   SER  28           HG       SER  28   2.587  -9.666   1.655
  212    H    THR  29           H        THR  29   2.239  -4.545   2.500
  213    HA   THR  29           HA       THR  29  -0.238  -3.554   1.274
  214    HB   THR  29           HB       THR  29   0.718  -1.396   2.578
  215    HG1  THR  29           1HG      THR  29   2.290  -1.984   3.874
  216   1HG2  THR  29          1HG2      THR  29  -0.615  -3.507   4.227
  217   2HG2  THR  29          2HG2      THR  29  -1.454  -2.843   2.825
  218   3HG2  THR  29          3HG2      THR  29  -0.950  -1.776   4.135
  219    H    GLN  30           H        GLN  30   0.550  -3.661  -0.843
  220    HA   GLN  30           HA       GLN  30   2.763  -1.849  -1.518
  221   1HB   GLN  30          2HB       GLN  30   2.594  -3.129  -3.778
  222   2HB   GLN  30          1HB       GLN  30   3.360  -3.909  -2.402
  223   1HG   GLN  30          2HG       GLN  30   2.012  -5.628  -2.771
  224   2HG   GLN  30          1HG       GLN  30   0.698  -4.624  -2.175
  225   1HE2  GLN  30          1HE2      GLN  30   2.021  -6.221  -4.831
  226   2HE2  GLN  30          2HE2      GLN  30   0.874  -5.716  -6.016
  227    H    TRP  31           H        TRP  31   2.523  -0.314  -3.207
  228    HA   TRP  31           HA       TRP  31  -0.237   0.389  -3.797
  229   1HB   TRP  31          2HB       TRP  31   2.075   1.986  -4.810
  230   2HB   TRP  31          1HB       TRP  31   0.474   2.515  -4.358
  231    HD1  TRP  31           HD       TRP  31   3.857   1.669  -2.840
  232    HE1  TRP  31           1HE      TRP  31   4.013   2.716  -0.498
  233    HE3  TRP  31           3HE      TRP  31  -0.928   3.343  -2.424
  234    HZ2  TRP  31           2HZ      TRP  31   2.313   4.084   1.292
  235    HZ3  TRP  31           3HZ      TRP  31  -1.593   4.523  -0.366
  236    HH2  TRP  31           HH       TRP  31  -0.005   4.886   1.455
  237    H    HIS  32           H        HIS  32   1.851  -1.682  -5.149
  238    HA   HIS  32           HA       HIS  32   1.095  -0.907  -7.889
  239   1HB   HIS  32          2HB       HIS  32   3.141  -2.370  -8.550
  240   2HB   HIS  32          1HB       HIS  32   3.406  -0.729  -7.979
  241    HD1  HIS  32           1HD      HIS  32   3.236  -4.179  -6.356
  242    HD2  HIS  32           2HD      HIS  32   5.436  -0.655  -6.214
  243    HE1  HIS  32           1HE      HIS  32   5.037  -4.576  -4.649
  244    HE2  HIS  32           2HE      HIS  32   6.426  -2.470  -4.650
  245    H    ARG  33           H        ARG  33  -0.758  -2.004  -7.973
  246    HA   ARG  33           HA       ARG  33  -1.677  -4.316  -7.030
  247   1HB   ARG  33          2HB       ARG  33  -3.159  -3.156  -8.374
  248   2HB   ARG  33          1HB       ARG  33  -2.011  -3.005  -9.696
  249   1HG   ARG  33          2HG       ARG  33  -2.301  -5.587  -9.871
  250   2HG   ARG  33          1HG       ARG  33  -3.801  -5.280  -8.990
  251   1HD   ARG  33          2HD       ARG  33  -4.738  -4.113 -10.718
  252   2HD   ARG  33          1HD       ARG  33  -3.180  -3.575 -11.343
  253    HE   ARG  33           HE       ARG  33  -4.527  -6.102 -11.908
  254   1HH1  ARG  33          2HH1      ARG  33  -1.627  -4.135 -12.246
  255   2HH1  ARG  33          1HH1      ARG  33  -1.018  -5.056 -13.594
  256   1HH2  ARG  33          2HH2      ARG  33  -3.723  -7.300 -13.672
  257   2HH2  ARG  33          1HH2      ARG  33  -2.219  -6.836 -14.413
  258    HA   PRO  34           HA       PRO  34   0.987  -7.641  -8.300
  259   1HB   PRO  34          2HB       PRO  34  -0.836  -9.637  -7.749
  260   2HB   PRO  34          1HB       PRO  34   0.230  -8.894  -6.554
  261   1HG   PRO  34          2HG       PRO  34  -2.648  -8.359  -7.124
  262   2HG   PRO  34          1HG       PRO  34  -1.797  -8.386  -5.572
  263   1HD   PRO  34          2HD       PRO  34  -2.483  -6.090  -6.817
  264   2HD   PRO  34          1HD       PRO  34  -1.022  -6.231  -5.820
  265    H    SER  35           H        SER  35   1.070  -9.301  -9.896
  266    HA   SER  35           HA       SER  35  -0.284  -8.597 -12.296
  267   1HB   SER  35          2HB       SER  35   1.068 -11.214 -12.233
  268   2HB   SER  35          1HB       SER  35   1.316  -9.837 -13.309
  269    HG   SER  35           HG       SER  35   2.584  -8.860 -11.744
  270    H    LEU  36           H        LEU  36  -2.436  -8.964 -12.332
  271    HA   LEU  36           HA       LEU  36  -3.253 -11.774 -12.347
  272   1HB   LEU  36          2HB       LEU  36  -3.930 -10.147 -10.259
  273   2HB   LEU  36          1HB       LEU  36  -5.282  -9.882 -11.343
  274    HG   LEU  36           HG       LEU  36  -5.487 -11.717  -9.547
  275   1HD1  LEU  36          1HD1      LEU  36  -6.778 -11.311 -11.849
  276   2HD1  LEU  36          2HD1      LEU  36  -6.097 -12.902 -12.183
  277   3HD1  LEU  36          3HD1      LEU  36  -7.133 -12.664 -10.775
  278   1HD2  LEU  36          1HD2      LEU  36  -4.688 -13.941 -10.803
  279   2HD2  LEU  36          2HD2      LEU  36  -3.414 -12.841 -11.330
  280   3HD2  LEU  36          3HD2      LEU  36  -3.695 -13.104  -9.608
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -9.808   0.296 -15.644
    2   2H    GLY   1          2H        GLY   1 -11.119  -0.761 -15.856
    3   3H    GLY   1          3H        GLY   1  -9.534  -1.349 -15.948
    4   1HA   GLY   1          2HA       GLY   1 -10.238  -0.002 -13.476
    5   2HA   GLY   1          1HA       GLY   1 -11.019  -1.552 -13.762
    6    H    SER   2           H        SER   2  -9.796  -2.334 -11.920
    7    HA   SER   2           HA       SER   2  -6.936  -2.693 -12.421
    8   1HB   SER   2          2HB       SER   2  -8.210  -3.717  -9.930
    9   2HB   SER   2          1HB       SER   2  -6.649  -2.927 -10.152
   10    HG   SER   2           HG       SER   2  -8.630  -1.792  -9.100
   11    HA   PRO   3           HA       PRO   3  -7.506  -6.845 -13.943
   12   1HB   PRO   3          2HB       PRO   3  -4.867  -7.257 -12.622
   13   2HB   PRO   3          1HB       PRO   3  -5.361  -7.609 -14.282
   14   1HG   PRO   3          2HG       PRO   3  -3.817  -5.515 -13.763
   15   2HG   PRO   3          1HG       PRO   3  -5.121  -5.399 -14.960
   16   1HD   PRO   3          2HD       PRO   3  -5.033  -4.376 -12.150
   17   2HD   PRO   3          1HD       PRO   3  -5.723  -3.623 -13.602
   18    HA   PRO   4           HA       PRO   4  -9.192  -9.367 -10.772
   19   1HB   PRO   4          2HB       PRO   4  -7.753 -11.742 -11.296
   20   2HB   PRO   4          1HB       PRO   4  -9.338 -11.296 -11.930
   21   1HG   PRO   4          2HG       PRO   4  -6.655 -11.051 -13.188
   22   2HG   PRO   4          1HG       PRO   4  -8.230 -11.374 -13.939
   23   1HD   PRO   4          2HD       PRO   4  -7.070  -8.978 -14.155
   24   2HD   PRO   4          1HD       PRO   4  -8.827  -9.123 -13.935
   25    H    LEU   5           H        LEU   5  -8.776  -9.443  -8.691
   26    HA   LEU   5           HA       LEU   5  -5.984  -9.404  -7.798
   27   1HB   LEU   5          2HB       LEU   5  -8.286  -7.944  -7.086
   28   2HB   LEU   5          1HB       LEU   5  -7.946  -8.987  -5.720
   29    HG   LEU   5           HG       LEU   5  -5.793  -8.024  -5.398
   30   1HD1  LEU   5          1HD1      LEU   5  -5.015  -6.161  -6.911
   31   2HD1  LEU   5          2HD1      LEU   5  -4.941  -7.789  -7.586
   32   3HD1  LEU   5          3HD1      LEU   5  -6.245  -6.698  -8.057
   33   1HD2  LEU   5          1HD2      LEU   5  -7.808  -6.737  -4.642
   34   2HD2  LEU   5          2HD2      LEU   5  -6.343  -5.780  -4.859
   35   3HD2  LEU   5          3HD2      LEU   5  -7.617  -5.729  -6.078
   36    HA   PRO   6           HA       PRO   6  -6.360 -13.595  -6.296
   37   1HB   PRO   6          2HB       PRO   6  -4.292 -12.782  -4.347
   38   2HB   PRO   6          1HB       PRO   6  -4.253 -14.069  -5.555
   39   1HG   PRO   6          2HG       PRO   6  -2.820 -11.830  -5.864
   40   2HG   PRO   6          1HG       PRO   6  -3.580 -12.640  -7.247
   41   1HD   PRO   6          2HD       PRO   6  -4.466 -10.199  -5.756
   42   2HD   PRO   6          1HD       PRO   6  -4.487 -10.522  -7.501
   43    HA   PRO   7           HA       PRO   7  -9.149 -13.335  -2.926
   44   1HB   PRO   7          2HB       PRO   7  -7.945 -15.861  -1.929
   45   2HB   PRO   7          1HB       PRO   7  -9.626 -15.500  -2.340
   46   1HG   PRO   7          2HG       PRO   7  -8.129 -16.996  -3.953
   47   2HG   PRO   7          1HG       PRO   7  -9.272 -15.811  -4.615
   48   1HD   PRO   7          2HD       PRO   7  -6.299 -15.629  -4.336
   49   2HD   PRO   7          1HD       PRO   7  -7.339 -15.088  -5.668
   50    H    GLY   8           H        GLY   8  -8.620 -11.728  -1.562
   51   1HA   GLY   8          1HA       GLY   8  -8.089 -11.639   0.913
   52   2HA   GLY   8          2HA       GLY   8  -6.515 -12.270   0.440
   53    H    TRP   9           H        TRP   9  -6.816 -10.570  -2.084
   54    HA   TRP   9           HA       TRP   9  -5.536  -8.227  -0.952
   55   1HB   TRP   9          2HB       TRP   9  -6.014  -9.136  -3.793
   56   2HB   TRP   9          1HB       TRP   9  -5.229  -7.615  -3.383
   57    HD1  TRP   9           HD       TRP   9  -4.658 -11.406  -3.265
   58    HE1  TRP   9           1HE      TRP   9  -2.133 -11.834  -2.992
   59    HE3  TRP   9           3HE      TRP   9  -3.097  -6.601  -2.496
   60    HZ2  TRP   9           2HZ      TRP   9   0.208 -10.332  -2.493
   61    HZ3  TRP   9           3HZ      TRP   9  -0.708  -6.185  -2.116
   62    HH2  TRP   9           HH       TRP   9   0.912  -8.009  -2.118
   63    H    GLU  10           H        GLU  10  -6.391  -6.239  -0.807
   64    HA   GLU  10           HA       GLU  10  -9.079  -5.807  -1.938
   65   1HB   GLU  10          2HB       GLU  10  -9.137  -6.213   0.504
   66   2HB   GLU  10          1HB       GLU  10  -8.041  -4.865   0.743
   67   1HG   GLU  10          2HG       GLU  10 -10.034  -3.673  -0.656
   68   2HG   GLU  10          1HG       GLU  10 -10.921  -4.896   0.254
   69    H    GLU  11           H        GLU  11  -9.430  -3.861  -2.932
   70    HA   GLU  11           HA       GLU  11  -7.131  -2.205  -3.478
   71   1HB   GLU  11          2HB       GLU  11  -9.246  -2.853  -4.979
   72   2HB   GLU  11          1HB       GLU  11  -9.866  -1.361  -4.289
   73   1HG   GLU  11          2HG       GLU  11  -7.970  -0.137  -5.154
   74   2HG   GLU  11          1HG       GLU  11  -7.269  -1.627  -5.784
   75    H    LYS  12           H        LYS  12  -6.502  -0.617  -2.170
   76    HA   LYS  12           HA       LYS  12  -8.550   0.850  -0.644
   77   1HB   LYS  12          2HB       LYS  12  -6.519  -0.867   0.390
   78   2HB   LYS  12          1HB       LYS  12  -6.128   0.784   0.848
   79   1HG   LYS  12          2HG       LYS  12  -8.199   1.054   1.965
   80   2HG   LYS  12          1HG       LYS  12  -8.819  -0.450   1.292
   81   1HD   LYS  12          2HD       LYS  12  -8.083  -1.516   3.096
   82   2HD   LYS  12          1HD       LYS  12  -6.434  -1.110   2.615
   83   1HE   LYS  12          2HE       LYS  12  -6.321  -0.001   4.550
   84   2HE   LYS  12          1HE       LYS  12  -7.314   1.219   3.756
   85   1HZ   LYS  12          1HZ       LYS  12  -8.255   0.603   5.877
   86   2HZ   LYS  12          2HZ       LYS  12  -8.318  -1.027   5.420
   87   3HZ   LYS  12          3HZ       LYS  12  -9.291   0.114   4.624
   88    H    VAL  13           H        VAL  13  -7.823   2.980   0.085
   89    HA   VAL  13           HA       VAL  13  -5.544   4.010  -1.467
   90    HB   VAL  13           HB       VAL  13  -8.278   5.047  -1.261
   91   1HG1  VAL  13          1HG1      VAL  13  -7.818   7.355  -1.067
   92   2HG1  VAL  13          2HG1      VAL  13  -7.015   6.583   0.301
   93   3HG1  VAL  13          3HG1      VAL  13  -6.076   7.081  -1.107
   94   1HG2  VAL  13          1HG2      VAL  13  -6.136   6.045  -3.083
   95   2HG2  VAL  13          2HG2      VAL  13  -6.798   4.421  -3.291
   96   3HG2  VAL  13          3HG2      VAL  13  -7.860   5.825  -3.392
   97    H    ASP  14           H        ASP  14  -4.048   5.176  -0.397
   98    HA   ASP  14           HA       ASP  14  -4.018   4.877   2.467
   99   1HB   ASP  14          2HB       ASP  14  -1.746   5.255   2.342
  100   2HB   ASP  14          1HB       ASP  14  -2.057   4.654   0.719
  101    H    ASN  15           H        ASN  15  -2.690   6.982   3.461
  102    HA   ASN  15           HA       ASN  15  -4.696   8.900   3.916
  103   1HB   ASN  15          2HB       ASN  15  -2.716   8.266   5.405
  104   2HB   ASN  15          1HB       ASN  15  -1.757   9.344   4.397
  105   1HD2  ASN  15          1HD2      ASN  15  -1.321  10.890   5.879
  106   2HD2  ASN  15          2HD2      ASN  15  -2.526  11.874   6.638
  107    H    LEU  16           H        LEU  16  -1.999   8.808   1.669
  108    HA   LEU  16           HA       LEU  16  -2.257  11.571   0.896
  109   1HB   LEU  16          2HB       LEU  16  -0.389   9.480   0.491
  110   2HB   LEU  16          1HB       LEU  16  -0.931   9.994  -1.093
  111    HG   LEU  16           HG       LEU  16   0.918  11.331  -0.757
  112   1HD1  LEU  16          1HD1      LEU  16  -1.519  12.814   0.156
  113   2HD1  LEU  16          2HD1      LEU  16   0.041  13.618  -0.009
  114   3HD1  LEU  16          3HD1      LEU  16  -0.711  12.858  -1.411
  115   1HD2  LEU  16          1HD2      LEU  16   0.450  10.759   1.974
  116   2HD2  LEU  16          2HD2      LEU  16   1.885  11.462   1.229
  117   3HD2  LEU  16          3HD2      LEU  16   0.591  12.509   1.807
  118    H    GLY  17           H        GLY  17  -3.020   8.447  -0.676
  119   1HA   GLY  17          1HA       GLY  17  -5.379   8.608  -1.698
  120   2HA   GLY  17          2HA       GLY  17  -4.679   9.942  -2.604
  121    H    ARG  18           H        ARG  18  -2.681   7.211  -1.860
  122    HA   ARG  18           HA       ARG  18  -2.584   6.549  -4.703
  123   1HB   ARG  18          2HB       ARG  18  -0.908   5.125  -2.669
  124   2HB   ARG  18          1HB       ARG  18  -0.518   5.577  -4.317
  125   1HG   ARG  18          2HG       ARG  18  -0.554   7.992  -3.474
  126   2HG   ARG  18          1HG       ARG  18  -0.489   7.283  -1.860
  127   1HD   ARG  18          2HD       ARG  18   1.733   7.903  -2.767
  128   2HD   ARG  18          1HD       ARG  18   1.586   6.196  -2.354
  129    HE   ARG  18           HE       ARG  18   1.923   5.666  -4.555
  130   1HH1  ARG  18          2HH1      ARG  18   1.067   9.075  -4.371
  131   2HH1  ARG  18          1HH1      ARG  18   1.471   9.381  -6.036
  132   1HH2  ARG  18          2HH2      ARG  18   2.437   6.076  -6.713
  133   2HH2  ARG  18          1HH2      ARG  18   2.231   7.670  -7.376
  134    H    THR  19           H        THR  19  -3.970   5.082  -5.436
  135    HA   THR  19           HA       THR  19  -5.392   3.308  -3.753
  136    HB   THR  19           HB       THR  19  -5.293   2.484  -6.548
  137    HG1  THR  19           1HG      THR  19  -5.985   4.365  -7.465
  138   1HG2  THR  19          1HG2      THR  19  -7.545   2.256  -6.272
  139   2HG2  THR  19          2HG2      THR  19  -7.688   3.731  -5.319
  140   3HG2  THR  19          3HG2      THR  19  -7.072   2.257  -4.573
  141    H    TYR  20           H        TYR  20  -4.112   1.918  -2.651
  142    HA   TYR  20           HA       TYR  20  -2.217   0.287  -4.170
  143   1HB   TYR  20          2HB       TYR  20  -1.124  -0.221  -2.083
  144   2HB   TYR  20          1HB       TYR  20  -1.314   1.515  -2.219
  145    HD1  TYR  20           1HD      TYR  20  -1.776  -1.309  -0.153
  146    HD2  TYR  20           2HD      TYR  20  -3.377   2.544  -0.965
  147    HE1  TYR  20           1HE      TYR  20  -2.796  -1.268   2.075
  148    HE2  TYR  20           2HE      TYR  20  -4.405   2.592   1.262
  149    HH   TYR  20           HH       TYR  20  -3.655   0.253   3.687
  150    H    TYR  21           H        TYR  21  -1.954  -1.972  -3.130
  151    HA   TYR  21           HA       TYR  21  -4.657  -3.093  -2.868
  152   1HB   TYR  21          2HB       TYR  21  -2.228  -4.366  -4.157
  153   2HB   TYR  21          1HB       TYR  21  -3.822  -5.105  -4.006
  154    HD1  TYR  21           1HD      TYR  21  -1.706  -3.145  -6.067
  155    HD2  TYR  21           2HD      TYR  21  -5.794  -3.803  -5.089
  156    HE1  TYR  21           1HE      TYR  21  -2.376  -2.097  -8.183
  157    HE2  TYR  21           2HE      TYR  21  -6.472  -2.762  -7.211
  158    HH   TYR  21           HH       TYR  21  -5.700  -1.353  -8.895
  159    H    VAL  22           H        VAL  22  -4.969  -3.600  -0.856
  160    HA   VAL  22           HA       VAL  22  -2.691  -4.304   0.822
  161    HB   VAL  22           HB       VAL  22  -4.058  -2.600   1.774
  162   1HG1  VAL  22          1HG1      VAL  22  -6.485  -3.178   2.376
  163   2HG1  VAL  22          2HG1      VAL  22  -6.115  -2.710   0.716
  164   3HG1  VAL  22          3HG1      VAL  22  -6.340  -4.410   1.123
  165   1HG2  VAL  22          1HG2      VAL  22  -4.435  -3.451   3.904
  166   2HG2  VAL  22          2HG2      VAL  22  -4.949  -5.023   3.289
  167   3HG2  VAL  22          3HG2      VAL  22  -3.247  -4.564   3.225
  168    H    ASN  23           H        ASN  23  -2.183  -6.351   0.745
  169    HA   ASN  23           HA       ASN  23  -4.009  -8.492   0.414
  170   1HB   ASN  23          2HB       ASN  23  -1.506  -8.546   0.005
  171   2HB   ASN  23          1HB       ASN  23  -1.302  -8.604   1.750
  172   1HD2  ASN  23          1HD2      ASN  23  -0.169 -10.582   0.607
  173   2HD2  ASN  23          2HD2      ASN  23  -1.093 -12.050   0.657
  174    H    HIS  24           H        HIS  24  -5.308  -9.439   1.913
  175    HA   HIS  24           HA       HIS  24  -5.085  -8.494   4.670
  176   1HB   HIS  24          2HB       HIS  24  -7.253  -9.888   3.124
  177   2HB   HIS  24          1HB       HIS  24  -7.277  -9.882   4.885
  178    HD1  HIS  24           1HD      HIS  24  -9.159  -8.285   5.361
  179    HD2  HIS  24           2HD      HIS  24  -6.403  -6.760   2.643
  180    HE1  HIS  24           1HE      HIS  24  -9.859  -5.910   4.944
  181    HE2  HIS  24           2HE      HIS  24  -8.347  -5.095   3.105
  182    H    ASN  25           H        ASN  25  -3.994 -11.014   2.819
  183    HA   ASN  25           HA       ASN  25  -4.133 -13.095   4.802
  184   1HB   ASN  25          2HB       ASN  25  -3.501 -12.937   2.053
  185   2HB   ASN  25          1HB       ASN  25  -2.051 -13.528   2.855
  186   1HD2  ASN  25          1HD2      ASN  25  -4.093 -14.781   1.063
  187   2HD2  ASN  25          2HD2      ASN  25  -4.590 -16.214   1.907
  188    H    ASN  26           H        ASN  26  -1.174 -11.900   3.244
  189    HA   ASN  26           HA       ASN  26   0.161 -12.018   5.847
  190   1HB   ASN  26          2HB       ASN  26   1.000 -13.046   3.531
  191   2HB   ASN  26          1HB       ASN  26   1.689 -11.434   3.360
  192   1HD2  ASN  26          1HD2      ASN  26   3.780 -11.673   3.749
  193   2HD2  ASN  26          2HD2      ASN  26   4.460 -12.415   5.161
  194    H    ARG  27           H        ARG  27  -1.569  -9.846   4.420
  195    HA   ARG  27           HA       ARG  27  -1.770  -7.613   4.346
  196   1HB   ARG  27          2HB       ARG  27   0.142  -7.177   6.567
  197   2HB   ARG  27          1HB       ARG  27  -1.478  -6.534   6.310
  198   1HG   ARG  27          2HG       ARG  27  -1.329  -9.427   6.816
  199   2HG   ARG  27          1HG       ARG  27  -0.870  -8.382   8.161
  200   1HD   ARG  27          2HD       ARG  27  -3.044  -7.106   7.595
  201   2HD   ARG  27          1HD       ARG  27  -3.485  -8.568   6.715
  202    HE   ARG  27           HE       ARG  27  -3.054  -9.728   8.938
  203   1HH1  ARG  27          2HH1      ARG  27  -4.195  -6.426   8.667
  204   2HH1  ARG  27          1HH1      ARG  27  -5.014  -6.441  10.199
  205   1HH2  ARG  27          2HH2      ARG  27  -4.130  -9.755  10.967
  206   2HH2  ARG  27          1HH2      ARG  27  -4.983  -8.336  11.503
  207    H    SER  28           H        SER  28   0.289  -8.629   2.644
  208    HA   SER  28           HA       SER  28   2.384  -6.753   2.460
  209   1HB   SER  28          2HB       SER  28   1.402  -7.704  -0.113
  210   2HB   SER  28          1HB       SER  28   2.945  -8.025   0.682
  211    HG   SER  28           HG       SER  28   2.154  -9.966   0.922
  212    H    THR  29           H        THR  29   1.921  -4.628   2.508
  213    HA   THR  29           HA       THR  29  -0.481  -3.636   1.159
  214    HB   THR  29           HB       THR  29   0.518  -1.504   2.537
  215    HG1  THR  29           1HG      THR  29   0.815  -3.242   4.589
  216   1HG2  THR  29          1HG2      THR  29  -1.135  -3.553   3.967
  217   2HG2  THR  29          2HG2      THR  29  -1.774  -2.731   2.544
  218   3HG2  THR  29          3HG2      THR  29  -1.294  -1.796   3.961
  219    H    GLN  30           H        GLN  30   0.794  -3.951  -0.920
  220    HA   GLN  30           HA       GLN  30   2.653  -1.719  -1.375
  221   1HB   GLN  30          2HB       GLN  30   3.325  -3.029  -3.419
  222   2HB   GLN  30          1HB       GLN  30   3.733  -3.767  -1.879
  223   1HG   GLN  30          2HG       GLN  30   1.905  -5.313  -2.084
  224   2HG   GLN  30          1HG       GLN  30   1.327  -4.503  -3.530
  225   1HE2  GLN  30          1HE2      GLN  30   1.750  -5.578  -5.237
  226   2HE2  GLN  30          2HE2      GLN  30   3.165  -6.497  -5.542
  227    H    TRP  31           H        TRP  31   2.411  -0.373  -3.209
  228    HA   TRP  31           HA       TRP  31  -0.341  -0.292  -4.200
  229   1HB   TRP  31          2HB       TRP  31   1.093   1.939  -5.200
  230   2HB   TRP  31          1HB       TRP  31  -0.178   1.922  -3.991
  231    HD1  TRP  31           HD       TRP  31   3.637   1.240  -3.948
  232    HE1  TRP  31           1HE      TRP  31   4.645   2.421  -1.903
  233    HE3  TRP  31           3HE      TRP  31  -0.632   3.268  -2.031
  234    HZ2  TRP  31           2HZ      TRP  31   3.738   4.021   0.237
  235    HZ3  TRP  31           3HZ      TRP  31  -0.477   4.615   0.013
  236    HH2  TRP  31           HH       TRP  31   1.659   4.989   1.116
  237    H    HIS  32           H        HIS  32   2.743  -1.294  -5.185
  238    HA   HIS  32           HA       HIS  32   2.492  -0.480  -7.930
  239   1HB   HIS  32          2HB       HIS  32   4.630  -1.306  -8.285
  240   2HB   HIS  32          1HB       HIS  32   4.673  -0.814  -6.604
  241    HD1  HIS  32           1HD      HIS  32   5.135  -2.603  -4.864
  242    HD2  HIS  32           2HD      HIS  32   4.792  -4.101  -8.726
  243    HE1  HIS  32           1HE      HIS  32   5.976  -4.966  -4.750
  244    HE2  HIS  32           2HE      HIS  32   6.041  -5.731  -7.155
  245    H    ARG  33           H        ARG  33   0.710  -2.585  -6.429
  246    HA   ARG  33           HA       ARG  33  -0.756  -4.158  -7.153
  247   1HB   ARG  33          2HB       ARG  33  -0.548  -2.922  -9.377
  248   2HB   ARG  33          1HB       ARG  33   0.602  -4.167  -9.845
  249   1HG   ARG  33          2HG       ARG  33  -1.045  -5.862  -9.718
  250   2HG   ARG  33          1HG       ARG  33  -2.192  -4.780  -8.928
  251   1HD   ARG  33          2HD       ARG  33  -2.903  -4.910 -11.166
  252   2HD   ARG  33          1HD       ARG  33  -2.075  -3.360 -11.027
  253    HE   ARG  33           HE       ARG  33  -0.462  -4.107 -12.484
  254   1HH1  ARG  33          2HH1      ARG  33  -2.329  -6.866 -11.374
  255   2HH1  ARG  33          1HH1      ARG  33  -1.682  -7.947 -12.566
  256   1HH2  ARG  33          2HH2      ARG  33   0.364  -5.521 -14.076
  257   2HH2  ARG  33          1HH2      ARG  33  -0.165  -7.179 -14.115
  258    HA   PRO  34           HA       PRO  34   1.714  -7.797  -6.447
  259   1HB   PRO  34          2HB       PRO  34  -0.304  -9.539  -6.078
  260   2HB   PRO  34          1HB       PRO  34   0.101  -8.315  -4.872
  261   1HG   PRO  34          2HG       PRO  34  -2.085  -8.313  -6.910
  262   2HG   PRO  34          1HG       PRO  34  -2.133  -7.799  -5.216
  263   1HD   PRO  34          2HD       PRO  34  -1.886  -6.071  -7.327
  264   2HD   PRO  34          1HD       PRO  34  -1.283  -5.726  -5.695
  265    H    SER  35           H        SER  35   1.974  -7.230  -8.986
  266    HA   SER  35           HA       SER  35   0.717  -9.144 -10.729
  267   1HB   SER  35          2HB       SER  35   3.130  -7.855 -11.753
  268   2HB   SER  35          1HB       SER  35   1.473  -7.777 -12.356
  269    HG   SER  35           HG       SER  35   2.053  -5.734 -11.669
  270    H    LEU  36           H        LEU  36   1.944 -10.442  -8.615
  271    HA   LEU  36           HA       LEU  36   4.175 -11.835  -9.928
  272   1HB   LEU  36          2HB       LEU  36   3.899 -11.491  -6.943
  273   2HB   LEU  36          1HB       LEU  36   5.270 -12.137  -7.823
  274    HG   LEU  36           HG       LEU  36   4.650  -9.401  -8.608
  275   1HD1  LEU  36          1HD1      LEU  36   3.910  -9.172  -6.320
  276   2HD1  LEU  36          2HD1      LEU  36   5.379  -9.955  -5.734
  277   3HD1  LEU  36          3HD1      LEU  36   5.472  -8.377  -6.520
  278   1HD2  LEU  36          1HD2      LEU  36   6.777 -11.046  -8.756
  279   2HD2  LEU  36          2HD2      LEU  36   6.888  -9.289  -8.844
  280   3HD2  LEU  36          3HD2      LEU  36   7.201 -10.117  -7.317
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1 -12.261  -9.513  -3.658
    2   2H    GLY   1          2H        GLY   1 -13.331  -8.283  -4.110
    3   3H    GLY   1          3H        GLY   1 -12.253  -8.036  -2.823
    4   1HA   GLY   1          2HA       GLY   1 -11.285  -6.882  -4.566
    5   2HA   GLY   1          1HA       GLY   1 -10.410  -8.406  -4.494
    6    H    SER   2           H        SER   2 -10.042  -7.405  -6.779
    7    HA   SER   2           HA       SER   2 -12.143  -7.878  -8.683
    8   1HB   SER   2          2HB       SER   2  -9.700  -7.623 -10.038
    9   2HB   SER   2          1HB       SER   2 -10.867  -6.337  -9.724
   10    HG   SER   2           HG       SER   2  -9.480  -5.489  -8.398
   11    HA   PRO   3           HA       PRO   3 -11.455 -12.147  -9.792
   12   1HB   PRO   3          2HB       PRO   3 -11.170 -11.101 -12.578
   13   2HB   PRO   3          1HB       PRO   3 -12.152 -12.438 -11.969
   14   1HG   PRO   3          2HG       PRO   3 -13.294 -10.119 -12.531
   15   2HG   PRO   3          1HG       PRO   3 -13.769 -11.019 -11.076
   16   1HD   PRO   3          2HD       PRO   3 -12.038  -8.593 -11.325
   17   2HD   PRO   3          1HD       PRO   3 -13.215  -9.014 -10.066
   18    HA   PRO   4           HA       PRO   4  -7.108 -11.895 -11.870
   19   1HB   PRO   4          2HB       PRO   4  -5.951  -9.497 -12.289
   20   2HB   PRO   4          1HB       PRO   4  -7.012 -10.256 -13.483
   21   1HG   PRO   4          2HG       PRO   4  -7.625  -8.101 -11.497
   22   2HG   PRO   4          1HG       PRO   4  -8.095  -8.221 -13.203
   23   1HD   PRO   4          2HD       PRO   4  -9.768  -8.858 -11.160
   24   2HD   PRO   4          1HD       PRO   4  -9.845  -9.637 -12.752
   25    H    LEU   5           H        LEU   5  -8.204 -10.285  -9.174
   26    HA   LEU   5           HA       LEU   5  -5.573  -9.896  -7.966
   27   1HB   LEU   5          2HB       LEU   5  -7.986  -8.575  -7.712
   28   2HB   LEU   5          1HB       LEU   5  -7.921  -9.554  -6.259
   29    HG   LEU   5           HG       LEU   5  -5.797  -8.529  -5.634
   30   1HD1  LEU   5          1HD1      LEU   5  -5.008  -6.543  -6.920
   31   2HD1  LEU   5          2HD1      LEU   5  -4.807  -8.085  -7.757
   32   3HD1  LEU   5          3HD1      LEU   5  -6.125  -7.001  -8.205
   33   1HD2  LEU   5          1HD2      LEU   5  -8.201  -7.459  -5.327
   34   2HD2  LEU   5          2HD2      LEU   5  -6.737  -6.646  -4.774
   35   3HD2  LEU   5          3HD2      LEU   5  -7.479  -6.185  -6.306
   36    HA   PRO   6           HA       PRO   6  -5.706 -13.997  -6.228
   37   1HB   PRO   6          2HB       PRO   6  -3.772 -12.937  -4.263
   38   2HB   PRO   6          1HB       PRO   6  -3.589 -14.262  -5.417
   39   1HG   PRO   6          2HG       PRO   6  -2.331 -11.925  -5.771
   40   2HG   PRO   6          1HG       PRO   6  -2.969 -12.855  -7.140
   41   1HD   PRO   6          2HD       PRO   6  -4.118 -10.436  -5.794
   42   2HD   PRO   6          1HD       PRO   6  -4.028 -10.830  -7.523
   43    HA   PRO   7           HA       PRO   7  -8.573 -13.791  -2.905
   44   1HB   PRO   7          2HB       PRO   7  -7.149 -16.124  -1.746
   45   2HB   PRO   7          1HB       PRO   7  -8.849 -15.946  -2.187
   46   1HG   PRO   7          2HG       PRO   7  -7.195 -17.399  -3.687
   47   2HG   PRO   7          1HG       PRO   7  -8.457 -16.394  -4.423
   48   1HD   PRO   7          2HD       PRO   7  -5.517 -15.896  -4.211
   49   2HD   PRO   7          1HD       PRO   7  -6.631 -15.534  -5.545
   50    H    GLY   8           H        GLY   8  -8.357 -12.188  -1.493
   51   1HA   GLY   8          1HA       GLY   8  -7.752 -11.868   0.918
   52   2HA   GLY   8          2HA       GLY   8  -6.115 -12.309   0.438
   53    H    TRP   9           H        TRP   9  -6.626 -10.771  -2.145
   54    HA   TRP   9           HA       TRP   9  -5.507  -8.326  -1.079
   55   1HB   TRP   9          2HB       TRP   9  -5.864  -9.372  -3.884
   56   2HB   TRP   9          1HB       TRP   9  -5.165  -7.795  -3.522
   57    HD1  TRP   9           HD       TRP   9  -4.399 -11.533  -3.285
   58    HE1  TRP   9           1HE      TRP   9  -1.876 -11.830  -2.841
   59    HE3  TRP   9           3HE      TRP   9  -3.173  -6.657  -2.473
   60    HZ2  TRP   9           2HZ      TRP   9   0.339 -10.182  -2.213
   61    HZ3  TRP   9           3HZ      TRP   9  -0.855  -6.104  -1.955
   62    HH2  TRP   9           HH       TRP   9   0.876  -7.820  -1.823
   63    H    GLU  10           H        GLU  10  -6.500  -6.427  -0.895
   64    HA   GLU  10           HA       GLU  10  -9.033  -6.006  -2.339
   65   1HB   GLU  10          2HB       GLU  10  -9.037  -6.506   0.286
   66   2HB   GLU  10          1HB       GLU  10  -8.667  -4.791   0.361
   67   1HG   GLU  10          2HG       GLU  10 -11.123  -5.570   0.499
   68   2HG   GLU  10          1HG       GLU  10 -10.712  -4.167  -0.484
   69    H    GLU  11           H        GLU  11  -9.529  -3.764  -2.772
   70    HA   GLU  11           HA       GLU  11  -7.139  -2.200  -3.288
   71   1HB   GLU  11          2HB       GLU  11  -9.444  -2.544  -4.683
   72   2HB   GLU  11          1HB       GLU  11  -9.795  -1.033  -3.857
   73   1HG   GLU  11          2HG       GLU  11  -7.910   0.031  -4.846
   74   2HG   GLU  11          1HG       GLU  11  -7.326  -1.498  -5.506
   75    H    LYS  12           H        LYS  12  -6.385  -0.674  -1.939
   76    HA   LYS  12           HA       LYS  12  -8.301   0.712  -0.182
   77   1HB   LYS  12          2HB       LYS  12  -6.233  -1.110   0.627
   78   2HB   LYS  12          1HB       LYS  12  -5.862   0.501   1.225
   79   1HG   LYS  12          2HG       LYS  12  -8.414   0.412   1.936
   80   2HG   LYS  12          1HG       LYS  12  -8.081  -1.323   1.935
   81   1HD   LYS  12          2HD       LYS  12  -6.267  -1.024   3.492
   82   2HD   LYS  12          1HD       LYS  12  -6.430   0.731   3.398
   83   1HE   LYS  12          2HE       LYS  12  -8.572  -1.133   4.410
   84   2HE   LYS  12          1HE       LYS  12  -7.439  -0.261   5.441
   85   1HZ   LYS  12          1HZ       LYS  12  -8.313   1.818   4.340
   86   2HZ   LYS  12          2HZ       LYS  12  -9.385   1.022   5.386
   87   3HZ   LYS  12          3HZ       LYS  12  -9.563   0.859   3.707
   88    H    VAL  13           H        VAL  13  -7.877   2.886   0.160
   89    HA   VAL  13           HA       VAL  13  -5.498   3.979  -1.174
   90    HB   VAL  13           HB       VAL  13  -8.053   5.288  -0.237
   91   1HG1  VAL  13          1HG1      VAL  13  -5.440   6.474  -0.332
   92   2HG1  VAL  13          2HG1      VAL  13  -6.488   7.212  -1.548
   93   3HG1  VAL  13          3HG1      VAL  13  -6.976   7.197   0.151
   94   1HG2  VAL  13          1HG2      VAL  13  -8.600   5.452  -2.416
   95   2HG2  VAL  13          2HG2      VAL  13  -6.941   5.807  -2.907
   96   3HG2  VAL  13          3HG2      VAL  13  -7.440   4.138  -2.609
   97    H    ASP  14           H        ASP  14  -3.842   4.791  -0.039
   98    HA   ASP  14           HA       ASP  14  -3.502   4.104   2.655
   99   1HB   ASP  14          2HB       ASP  14  -1.566   4.310   1.302
  100   2HB   ASP  14          1HB       ASP  14  -1.981   5.952   0.827
  101    H    ASN  15           H        ASN  15  -3.441   7.447   1.421
  102    HA   ASN  15           HA       ASN  15  -4.933   8.227   3.819
  103   1HB   ASN  15          2HB       ASN  15  -3.294   9.551   4.566
  104   2HB   ASN  15          1HB       ASN  15  -2.247   8.839   3.348
  105   1HD2  ASN  15          1HD2      ASN  15  -4.127  11.593   4.270
  106   2HD2  ASN  15          2HD2      ASN  15  -3.528  12.665   3.037
  107    H    LEU  16           H        LEU  16  -3.881   9.441   0.612
  108    HA   LEU  16           HA       LEU  16  -6.560   9.889  -0.202
  109   1HB   LEU  16          2HB       LEU  16  -5.789  11.863   1.425
  110   2HB   LEU  16          1HB       LEU  16  -5.088  12.458  -0.068
  111    HG   LEU  16           HG       LEU  16  -7.818  11.630  -0.493
  112   1HD1  LEU  16          1HD1      LEU  16  -7.524  12.549   2.048
  113   2HD1  LEU  16          2HD1      LEU  16  -7.868  14.038   1.167
  114   3HD1  LEU  16          3HD1      LEU  16  -8.998  12.687   1.086
  115   1HD2  LEU  16          1HD2      LEU  16  -7.261  13.094  -2.092
  116   2HD2  LEU  16          2HD2      LEU  16  -7.706  14.323  -0.907
  117   3HD2  LEU  16          3HD2      LEU  16  -6.015  13.855  -1.100
  118    H    GLY  17           H        GLY  17  -5.222   8.472  -1.710
  119   1HA   GLY  17          1HA       GLY  17  -5.315   9.317  -4.166
  120   2HA   GLY  17          2HA       GLY  17  -3.822  10.102  -3.691
  121    H    ARG  18           H        ARG  18  -2.905   7.849  -2.042
  122    HA   ARG  18           HA       ARG  18  -1.868   6.253  -4.212
  123   1HB   ARG  18          2HB       ARG  18  -0.994   5.018  -1.878
  124   2HB   ARG  18          1HB       ARG  18  -0.109   6.171  -2.853
  125   1HG   ARG  18          2HG       ARG  18  -1.185   7.985  -1.450
  126   2HG   ARG  18          1HG       ARG  18  -1.694   6.689  -0.364
  127   1HD   ARG  18          2HD       ARG  18   0.298   6.838   0.619
  128   2HD   ARG  18          1HD       ARG  18   1.015   6.217  -0.868
  129    HE   ARG  18           HE       ARG  18   1.531   8.425  -1.523
  130   1HH1  ARG  18          2HH1      ARG  18   0.174   8.203   1.713
  131   2HH1  ARG  18          1HH1      ARG  18   0.623   9.828   2.139
  132   1HH2  ARG  18          2HH2      ARG  18   2.129  10.564  -0.947
  133   2HH2  ARG  18          1HH2      ARG  18   1.756  11.152   0.647
  134    H    THR  19           H        THR  19  -3.555   5.141  -5.012
  135    HA   THR  19           HA       THR  19  -5.146   3.391  -3.367
  136    HB   THR  19           HB       THR  19  -5.084   2.986  -6.301
  137    HG1  THR  19           1HG      THR  19  -6.591   5.055  -6.114
  138   1HG2  THR  19          1HG2      THR  19  -7.198   3.293  -4.176
  139   2HG2  THR  19          2HG2      THR  19  -6.781   1.846  -5.095
  140   3HG2  THR  19          3HG2      THR  19  -7.585   3.199  -5.895
  141    H    TYR  20           H        TYR  20  -3.961   1.818  -2.447
  142    HA   TYR  20           HA       TYR  20  -2.216   0.230  -4.192
  143   1HB   TYR  20          2HB       TYR  20  -1.049  -0.494  -2.176
  144   2HB   TYR  20          1HB       TYR  20  -1.048   1.257  -2.295
  145    HD1  TYR  20           1HD      TYR  20  -2.466   2.596  -0.764
  146    HD2  TYR  20           2HD      TYR  20  -2.122  -1.621  -0.362
  147    HE1  TYR  20           1HE      TYR  20  -3.334   2.745   1.528
  148    HE2  TYR  20           2HE      TYR  20  -2.985  -1.477   1.931
  149    HH   TYR  20           HH       TYR  20  -3.321   1.523   3.581
  150    H    TYR  21           H        TYR  21  -1.978  -2.074  -3.054
  151    HA   TYR  21           HA       TYR  21  -4.718  -3.066  -2.695
  152   1HB   TYR  21          2HB       TYR  21  -2.425  -4.286  -4.231
  153   2HB   TYR  21          1HB       TYR  21  -3.873  -5.185  -3.791
  154    HD1  TYR  21           1HD      TYR  21  -2.555  -2.431  -5.875
  155    HD2  TYR  21           2HD      TYR  21  -5.962  -4.794  -4.892
  156    HE1  TYR  21           1HE      TYR  21  -3.734  -1.557  -7.847
  157    HE2  TYR  21           2HE      TYR  21  -7.139  -3.928  -6.866
  158    HH   TYR  21           HH       TYR  21  -7.034  -1.865  -8.307
  159    H    VAL  22           H        VAL  22  -5.071  -4.061  -0.872
  160    HA   VAL  22           HA       VAL  22  -2.741  -4.626   0.824
  161    HB   VAL  22           HB       VAL  22  -4.082  -2.974   1.864
  162   1HG1  VAL  22          1HG1      VAL  22  -6.465  -4.728   1.328
  163   2HG1  VAL  22          2HG1      VAL  22  -6.490  -3.259   2.303
  164   3HG1  VAL  22          3HG1      VAL  22  -6.104  -3.169   0.584
  165   1HG2  VAL  22          1HG2      VAL  22  -3.394  -4.381   3.569
  166   2HG2  VAL  22          2HG2      VAL  22  -5.137  -4.302   3.824
  167   3HG2  VAL  22          3HG2      VAL  22  -4.427  -5.704   3.027
  168    H    ASN  23           H        ASN  23  -2.223  -6.680   0.939
  169    HA   ASN  23           HA       ASN  23  -4.060  -8.806   0.498
  170   1HB   ASN  23          2HB       ASN  23  -1.517  -8.889   0.211
  171   2HB   ASN  23          1HB       ASN  23  -1.433  -9.029   1.961
  172   1HD2  ASN  23          1HD2      ASN  23  -0.644 -10.899  -0.164
  173   2HD2  ASN  23          2HD2      ASN  23  -1.491 -12.368   0.170
  174    H    HIS  24           H        HIS  24  -5.597  -9.439   1.928
  175    HA   HIS  24           HA       HIS  24  -5.624  -8.392   4.595
  176   1HB   HIS  24          2HB       HIS  24  -7.429 -10.172   2.997
  177   2HB   HIS  24          1HB       HIS  24  -7.646 -10.066   4.742
  178    HD1  HIS  24           1HD      HIS  24  -9.923  -8.882   4.493
  179    HD2  HIS  24           2HD      HIS  24  -6.728  -6.832   2.790
  180    HE1  HIS  24           1HE      HIS  24 -10.797  -6.578   3.979
  181    HE2  HIS  24           2HE      HIS  24  -8.858  -5.341   2.946
  182    H    ASN  25           H        ASN  25  -4.287 -11.143   3.161
  183    HA   ASN  25           HA       ASN  25  -4.335 -12.655   5.660
  184   1HB   ASN  25          2HB       ASN  25  -4.608 -14.450   4.372
  185   2HB   ASN  25          1HB       ASN  25  -4.664 -13.392   2.972
  186   1HD2  ASN  25          1HD2      ASN  25  -3.110 -13.518   1.503
  187   2HD2  ASN  25          2HD2      ASN  25  -1.696 -14.503   1.631
  188    H    ASN  26           H        ASN  26  -2.025 -11.375   3.271
  189    HA   ASN  26           HA       ASN  26   0.128 -12.033   5.179
  190   1HB   ASN  26          2HB       ASN  26  -0.119 -12.497   2.377
  191   2HB   ASN  26          1HB       ASN  26   1.209 -11.368   2.633
  192   1HD2  ASN  26          1HD2      ASN  26   3.085 -12.347   2.768
  193   2HD2  ASN  26          2HD2      ASN  26   3.379 -13.900   3.481
  194    H    ARG  27           H        ARG  27  -1.700  -9.550   4.281
  195    HA   ARG  27           HA       ARG  27  -1.529  -7.299   4.015
  196   1HB   ARG  27          2HB       ARG  27   0.094  -6.511   6.105
  197   2HB   ARG  27          1HB       ARG  27  -1.643  -6.783   6.156
  198   1HG   ARG  27          2HG       ARG  27  -0.164  -9.247   6.495
  199   2HG   ARG  27          1HG       ARG  27   0.285  -8.034   7.697
  200   1HD   ARG  27          2HD       ARG  27  -1.651  -8.267   8.770
  201   2HD   ARG  27          1HD       ARG  27  -2.570  -8.100   7.274
  202    HE   ARG  27           HE       ARG  27  -1.552 -10.650   7.213
  203   1HH1  ARG  27          2HH1      ARG  27  -3.504  -8.842   9.481
  204   2HH1  ARG  27          1HH1      ARG  27  -4.463 -10.210   9.944
  205   1HH2  ARG  27          2HH2      ARG  27  -2.789 -12.455   7.827
  206   2HH2  ARG  27          1HH2      ARG  27  -4.056 -12.284   9.009
  207    H    SER  28           H        SER  28   0.174  -8.228   2.151
  208    HA   SER  28           HA       SER  28   2.582  -6.646   2.268
  209   1HB   SER  28          2HB       SER  28   1.783  -7.543  -0.384
  210   2HB   SER  28          1HB       SER  28   3.216  -7.968   0.555
  211    HG   SER  28           HG       SER  28   2.229  -9.697   1.347
  212    H    THR  29           H        THR  29   1.549  -4.610   2.721
  213    HA   THR  29           HA       THR  29  -0.492  -3.545   1.021
  214    HB   THR  29           HB       THR  29   0.376  -1.420   2.473
  215    HG1  THR  29           1HG      THR  29   1.442  -2.069   4.229
  216   1HG2  THR  29          1HG2      THR  29  -1.615  -1.689   3.477
  217   2HG2  THR  29          2HG2      THR  29  -1.160  -3.263   4.132
  218   3HG2  THR  29          3HG2      THR  29  -1.784  -3.140   2.486
  219    H    GLN  30           H        GLN  30   0.841  -3.816  -0.991
  220    HA   GLN  30           HA       GLN  30   2.775  -1.629  -1.353
  221   1HB   GLN  30          2HB       GLN  30   3.353  -2.928  -3.474
  222   2HB   GLN  30          1HB       GLN  30   3.814  -3.645  -1.935
  223   1HG   GLN  30          2HG       GLN  30   1.828  -5.089  -2.044
  224   2HG   GLN  30          1HG       GLN  30   1.429  -4.401  -3.610
  225   1HE2  GLN  30          1HE2      GLN  30   1.909  -5.697  -5.142
  226   2HE2  GLN  30          2HE2      GLN  30   3.285  -6.722  -5.221
  227    H    TRP  31           H        TRP  31   2.583  -0.145  -3.046
  228    HA   TRP  31           HA       TRP  31  -0.159   0.074  -4.065
  229   1HB   TRP  31          2HB       TRP  31   1.335   2.368  -4.817
  230   2HB   TRP  31          1HB       TRP  31   0.049   2.254  -3.629
  231    HD1  TRP  31           HD       TRP  31   3.884   1.941  -3.831
  232    HE1  TRP  31           1HE      TRP  31   4.887   2.669  -1.579
  233    HE3  TRP  31           3HE      TRP  31  -0.451   2.754  -1.249
  234    HZ2  TRP  31           2HZ      TRP  31   3.955   3.494   0.953
  235    HZ3  TRP  31           3HZ      TRP  31  -0.307   3.521   1.078
  236    HH2  TRP  31           HH       TRP  31   1.853   3.887   2.155
  237    H    HIS  32           H        HIS  32   2.270  -1.544  -5.207
  238    HA   HIS  32           HA       HIS  32   2.050  -0.437  -7.927
  239   1HB   HIS  32          2HB       HIS  32   3.959  -2.232  -8.342
  240   2HB   HIS  32          1HB       HIS  32   4.327  -0.622  -7.750
  241    HD1  HIS  32           1HD      HIS  32   4.604  -4.200  -6.912
  242    HD2  HIS  32           2HD      HIS  32   5.038  -0.544  -4.971
  243    HE1  HIS  32           1HE      HIS  32   5.864  -4.698  -4.796
  244    HE2  HIS  32           2HE      HIS  32   6.247  -2.454  -3.710
  245    H    ARG  33           H        ARG  33   0.220  -2.239  -6.312
  246    HA   ARG  33           HA       ARG  33  -1.208  -3.972  -6.673
  247   1HB   ARG  33          2HB       ARG  33  -0.865  -2.932  -9.133
  248   2HB   ARG  33          1HB       ARG  33  -0.220  -4.541  -9.415
  249   1HG   ARG  33          2HG       ARG  33  -2.283  -5.560  -8.899
  250   2HG   ARG  33          1HG       ARG  33  -2.927  -4.080  -8.189
  251   1HD   ARG  33          2HD       ARG  33  -2.411  -4.691 -11.088
  252   2HD   ARG  33          1HD       ARG  33  -3.945  -4.308 -10.312
  253    HE   ARG  33           HE       ARG  33  -1.813  -2.280 -10.420
  254   1HH1  ARG  33          2HH1      ARG  33  -5.040  -3.344 -11.246
  255   2HH1  ARG  33          1HH1      ARG  33  -5.520  -1.826 -11.932
  256   1HH2  ARG  33          2HH2      ARG  33  -2.406  -0.280 -11.363
  257   2HH2  ARG  33          1HH2      ARG  33  -4.007  -0.083 -12.020
  258    HA   PRO  34           HA       PRO  34   1.311  -7.429  -5.632
  259   1HB   PRO  34          2HB       PRO  34  -0.507  -9.433  -5.776
  260   2HB   PRO  34          1HB       PRO  34  -0.439  -8.269  -4.453
  261   1HG   PRO  34          2HG       PRO  34  -2.251  -8.331  -6.819
  262   2HG   PRO  34          1HG       PRO  34  -2.617  -7.917  -5.141
  263   1HD   PRO  34          2HD       PRO  34  -2.254  -6.053  -7.079
  264   2HD   PRO  34          1HD       PRO  34  -1.855  -5.768  -5.374
  265    H    SER  35           H        SER  35   2.043  -6.814  -8.091
  266    HA   SER  35           HA       SER  35   1.871  -9.216  -9.726
  267   1HB   SER  35          2HB       SER  35   3.748  -6.931 -10.255
  268   2HB   SER  35          1HB       SER  35   2.914  -7.972 -11.408
  269    HG   SER  35           HG       SER  35   0.923  -6.926 -10.552
  270    H    LEU  36           H        LEU  36   4.796  -8.667 -10.487
  271    HA   LEU  36           HA       LEU  36   5.964 -10.137  -8.242
  272   1HB   LEU  36          2HB       LEU  36   6.575  -9.908 -11.129
  273   2HB   LEU  36          1HB       LEU  36   7.956 -10.074 -10.059
  274    HG   LEU  36           HG       LEU  36   5.656 -12.002 -10.363
  275   1HD1  LEU  36          1HD1      LEU  36   8.413 -12.927 -10.647
  276   2HD1  LEU  36          2HD1      LEU  36   6.994 -13.246 -11.646
  277   3HD1  LEU  36          3HD1      LEU  36   7.912 -11.757 -11.868
  278   1HD2  LEU  36          1HD2      LEU  36   6.362 -13.209  -8.554
  279   2HD2  LEU  36          2HD2      LEU  36   8.005 -12.571  -8.630
  280   3HD2  LEU  36          3HD2      LEU  36   6.700 -11.572  -7.990
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -11.238  -2.678  -7.212
    2   2H    GLY   1          2H        GLY   1 -11.572  -3.922  -6.113
    3   3H    GLY   1          3H        GLY   1 -12.803  -3.321  -7.111
    4   1HA   GLY   1          2HA       GLY   1 -12.295  -4.719  -8.730
    5   2HA   GLY   1          1HA       GLY   1 -10.619  -4.193  -8.683
    6    H    SER   2           H        SER   2 -12.936  -6.227  -6.910
    7    HA   SER   2           HA       SER   2 -10.894  -7.736  -5.632
    8   1HB   SER   2          2HB       SER   2 -13.676  -8.789  -5.945
    9   2HB   SER   2          1HB       SER   2 -12.601  -8.855  -4.547
   10    HG   SER   2           HG       SER   2 -13.255  -6.929  -3.934
   11    HA   PRO   3           HA       PRO   3 -12.312 -11.154  -8.974
   12   1HB   PRO   3          2HB       PRO   3 -12.562  -9.181 -11.207
   13   2HB   PRO   3          1HB       PRO   3 -13.389 -10.724 -10.964
   14   1HG   PRO   3          2HG       PRO   3 -14.643  -8.444 -10.458
   15   2HG   PRO   3          1HG       PRO   3 -14.851  -9.846  -9.391
   16   1HD   PRO   3          2HD       PRO   3 -13.260  -7.356  -8.965
   17   2HD   PRO   3          1HD       PRO   3 -14.162  -8.336  -7.794
   18    HA   PRO   4           HA       PRO   4  -8.512  -9.972 -11.629
   19   1HB   PRO   4          2HB       PRO   4  -7.489  -7.484 -11.589
   20   2HB   PRO   4          1HB       PRO   4  -8.809  -7.946 -12.671
   21   1HG   PRO   4          2HG       PRO   4  -8.918  -6.482 -10.063
   22   2HG   PRO   4          1HG       PRO   4  -9.793  -6.151 -11.570
   23   1HD   PRO   4          2HD       PRO   4 -10.903  -7.457  -9.450
   24   2HD   PRO   4          1HD       PRO   4 -11.392  -7.740 -11.134
   25    H    LEU   5           H        LEU   5  -8.927  -9.301  -8.408
   26    HA   LEU   5           HA       LEU   5  -6.052  -9.171  -7.844
   27   1HB   LEU   5          2HB       LEU   5  -8.303  -7.841  -6.767
   28   2HB   LEU   5          1HB       LEU   5  -7.714  -8.919  -5.518
   29    HG   LEU   5           HG       LEU   5  -5.587  -7.846  -5.464
   30   1HD1  LEU   5          1HD1      LEU   5  -5.227  -5.829  -7.023
   31   2HD1  LEU   5          2HD1      LEU   5  -4.982  -7.450  -7.671
   32   3HD1  LEU   5          3HD1      LEU   5  -6.472  -6.574  -8.026
   33   1HD2  LEU   5          1HD2      LEU   5  -6.159  -5.611  -4.811
   34   2HD2  LEU   5          2HD2      LEU   5  -7.643  -5.664  -5.764
   35   3HD2  LEU   5          3HD2      LEU   5  -7.473  -6.689  -4.337
   36    HA   PRO   6           HA       PRO   6  -6.172 -13.405  -6.467
   37   1HB   PRO   6          2HB       PRO   6  -3.969 -12.729  -4.644
   38   2HB   PRO   6          1HB       PRO   6  -3.987 -13.841  -6.013
   39   1HG   PRO   6          2HG       PRO   6  -2.662 -11.498  -6.101
   40   2HG   PRO   6          1HG       PRO   6  -3.449 -12.188  -7.533
   41   1HD   PRO   6          2HD       PRO   6  -4.395  -9.993  -5.723
   42   2HD   PRO   6          1HD       PRO   6  -4.471 -10.106  -7.491
   43    HA   PRO   7           HA       PRO   7  -8.525 -13.706  -2.776
   44   1HB   PRO   7          2HB       PRO   7  -6.646 -15.838  -1.879
   45   2HB   PRO   7          1HB       PRO   7  -8.407 -15.871  -2.017
   46   1HG   PRO   7          2HG       PRO   7  -6.897 -17.103  -3.822
   47   2HG   PRO   7          1HG       PRO   7  -8.354 -16.216  -4.311
   48   1HD   PRO   7          2HD       PRO   7  -5.482 -15.432  -4.561
   49   2HD   PRO   7          1HD       PRO   7  -6.833 -15.144  -5.678
   50    H    GLY   8           H        GLY   8  -8.524 -12.432  -1.043
   51   1HA   GLY   8          1HA       GLY   8  -7.742 -11.848   1.139
   52   2HA   GLY   8          2HA       GLY   8  -6.115 -12.305   0.639
   53    H    TRP   9           H        TRP   9  -6.541 -10.809  -1.942
   54    HA   TRP   9           HA       TRP   9  -5.388  -8.372  -0.965
   55   1HB   TRP   9          2HB       TRP   9  -5.973  -9.472  -3.700
   56   2HB   TRP   9          1HB       TRP   9  -5.408  -7.821  -3.484
   57    HD1  TRP   9           HD       TRP   9  -4.213 -11.409  -3.463
   58    HE1  TRP   9           1HE      TRP   9  -1.651 -11.436  -3.241
   59    HE3  TRP   9           3HE      TRP   9  -3.462  -6.500  -2.351
   60    HZ2  TRP   9           2HZ      TRP   9   0.430  -9.585  -2.655
   61    HZ3  TRP   9           3HZ      TRP   9  -1.181  -5.714  -1.966
   62    HH2  TRP   9           HH       TRP   9   0.728  -7.218  -2.110
   63    H    GLU  10           H        GLU  10  -6.367  -6.505  -0.563
   64    HA   GLU  10           HA       GLU  10  -9.007  -6.022  -1.781
   65   1HB   GLU  10          2HB       GLU  10  -9.391  -6.391   0.554
   66   2HB   GLU  10          1HB       GLU  10  -8.036  -5.363   1.001
   67   1HG   GLU  10          2HG       GLU  10  -9.264  -3.438   0.015
   68   2HG   GLU  10          1HG       GLU  10 -10.646  -4.507  -0.210
   69    H    GLU  11           H        GLU  11  -9.199  -4.153  -2.886
   70    HA   GLU  11           HA       GLU  11  -6.853  -2.488  -3.127
   71   1HB   GLU  11          2HB       GLU  11  -7.610  -2.443  -5.224
   72   2HB   GLU  11          1HB       GLU  11  -9.139  -3.155  -4.742
   73   1HG   GLU  11          2HG       GLU  11  -9.221  -0.442  -3.979
   74   2HG   GLU  11          1HG       GLU  11  -8.580  -0.510  -5.621
   75    H    LYS  12           H        LYS  12  -6.505  -0.667  -2.078
   76    HA   LYS  12           HA       LYS  12  -8.758   0.791  -0.873
   77   1HB   LYS  12          2HB       LYS  12  -6.432  -0.457   0.507
   78   2HB   LYS  12          1HB       LYS  12  -6.907   1.145   1.047
   79   1HG   LYS  12          2HG       LYS  12  -9.292   0.093   1.154
   80   2HG   LYS  12          1HG       LYS  12  -8.396  -1.427   1.212
   81   1HD   LYS  12          2HD       LYS  12  -7.033   0.023   3.045
   82   2HD   LYS  12          1HD       LYS  12  -8.649   0.708   3.235
   83   1HE   LYS  12          2HE       LYS  12  -8.601  -2.211   3.061
   84   2HE   LYS  12          1HE       LYS  12  -7.725  -1.566   4.447
   85   1HZ   LYS  12          1HZ       LYS  12 -10.122  -2.053   4.839
   86   2HZ   LYS  12          2HZ       LYS  12 -10.508  -0.791   3.777
   87   3HZ   LYS  12          3HZ       LYS  12  -9.658  -0.463   5.209
   88    H    VAL  13           H        VAL  13  -7.587   2.912   0.208
   89    HA   VAL  13           HA       VAL  13  -5.469   3.805  -1.614
   90    HB   VAL  13           HB       VAL  13  -7.938   4.698  -2.082
   91   1HG1  VAL  13          1HG1      VAL  13  -8.716   6.377  -0.834
   92   2HG1  VAL  13          2HG1      VAL  13  -7.648   5.720   0.407
   93   3HG1  VAL  13          3HG1      VAL  13  -7.110   7.068  -0.595
   94   1HG2  VAL  13          1HG2      VAL  13  -5.284   5.665  -2.571
   95   2HG2  VAL  13          2HG2      VAL  13  -6.709   5.717  -3.611
   96   3HG2  VAL  13          3HG2      VAL  13  -6.417   7.012  -2.449
   97    H    ASP  14           H        ASP  14  -3.854   4.899  -0.659
   98    HA   ASP  14           HA       ASP  14  -4.067   5.288   2.242
   99   1HB   ASP  14          2HB       ASP  14  -2.203   3.875   1.167
  100   2HB   ASP  14          1HB       ASP  14  -1.521   5.410   0.637
  101    H    ASN  15           H        ASN  15  -4.009   7.252   3.127
  102    HA   ASN  15           HA       ASN  15  -4.051   9.509   3.336
  103   1HB   ASN  15          2HB       ASN  15  -1.584   9.021   2.639
  104   2HB   ASN  15          1HB       ASN  15  -2.052   9.761   1.112
  105   1HD2  ASN  15          1HD2      ASN  15  -3.267  10.683   4.285
  106   2HD2  ASN  15          2HD2      ASN  15  -2.542  12.258   4.296
  107    H    LEU  16           H        LEU  16  -5.775   8.181   1.346
  108    HA   LEU  16           HA       LEU  16  -7.345   8.684  -0.204
  109   1HB   LEU  16          2HB       LEU  16  -6.716  11.407   0.883
  110   2HB   LEU  16          1HB       LEU  16  -7.880  11.204  -0.412
  111    HG   LEU  16           HG       LEU  16  -8.328   9.454   1.908
  112   1HD1  LEU  16          1HD1      LEU  16  -8.654  12.441   2.144
  113   2HD1  LEU  16          2HD1      LEU  16  -9.288  11.245   3.278
  114   3HD1  LEU  16          3HD1      LEU  16  -7.548  11.433   3.078
  115   1HD2  LEU  16          1HD2      LEU  16 -10.368   9.451   1.039
  116   2HD2  LEU  16          2HD2      LEU  16 -10.471  11.210   1.140
  117   3HD2  LEU  16          3HD2      LEU  16  -9.750  10.448  -0.278
  118    H    GLY  17           H        GLY  17  -4.457   8.598  -0.987
  119   1HA   GLY  17          1HA       GLY  17  -4.791   9.934  -3.583
  120   2HA   GLY  17          2HA       GLY  17  -3.321  10.198  -2.660
  121    H    ARG  18           H        ARG  18  -2.726   7.684  -1.730
  122    HA   ARG  18           HA       ARG  18  -1.849   6.516  -4.259
  123   1HB   ARG  18          2HB       ARG  18  -0.730   5.092  -2.050
  124   2HB   ARG  18          1HB       ARG  18   0.072   6.127  -3.216
  125   1HG   ARG  18          2HG       ARG  18  -0.174   8.043  -1.846
  126   2HG   ARG  18          1HG       ARG  18  -1.289   7.206  -0.764
  127   1HD   ARG  18          2HD       ARG  18   0.376   6.296   0.418
  128   2HD   ARG  18          1HD       ARG  18   1.275   5.850  -1.033
  129    HE   ARG  18           HE       ARG  18   2.305   7.987  -1.011
  130   1HH1  ARG  18          2HH1      ARG  18   0.332   7.348   1.816
  131   2HH1  ARG  18          1HH1      ARG  18   1.068   8.610   2.760
  132   1HH2  ARG  18          2HH2      ARG  18   3.263   9.645   0.233
  133   2HH2  ARG  18          1HH2      ARG  18   2.716   9.906   1.867
  134    H    THR  19           H        THR  19  -3.674   5.484  -4.935
  135    HA   THR  19           HA       THR  19  -5.167   3.633  -3.419
  136    HB   THR  19           HB       THR  19  -5.029   3.074  -6.295
  137    HG1  THR  19           1HG      THR  19  -6.018   5.132  -6.829
  138   1HG2  THR  19          1HG2      THR  19  -6.834   2.452  -4.579
  139   2HG2  THR  19          2HG2      THR  19  -7.372   3.079  -6.139
  140   3HG2  THR  19          3HG2      THR  19  -7.365   4.130  -4.722
  141    H    TYR  20           H        TYR  20  -4.219   1.913  -2.516
  142    HA   TYR  20           HA       TYR  20  -2.348   0.343  -4.147
  143   1HB   TYR  20          2HB       TYR  20  -1.262  -0.386  -2.106
  144   2HB   TYR  20          1HB       TYR  20  -1.256   1.360  -2.207
  145    HD1  TYR  20           1HD      TYR  20  -3.255   2.554  -0.923
  146    HD2  TYR  20           2HD      TYR  20  -1.872  -1.387  -0.129
  147    HE1  TYR  20           1HE      TYR  20  -4.221   2.673   1.332
  148    HE2  TYR  20           2HE      TYR  20  -2.831  -1.275   2.128
  149    HH   TYR  20           HH       TYR  20  -3.405   1.002   3.751
  150    H    TYR  21           H        TYR  21  -2.161  -1.936  -3.046
  151    HA   TYR  21           HA       TYR  21  -4.874  -2.926  -2.535
  152   1HB   TYR  21          2HB       TYR  21  -2.758  -4.487  -4.023
  153   2HB   TYR  21          1HB       TYR  21  -4.481  -4.836  -3.901
  154    HD1  TYR  21           1HD      TYR  21  -1.936  -3.242  -5.835
  155    HD2  TYR  21           2HD      TYR  21  -6.106  -3.146  -4.972
  156    HE1  TYR  21           1HE      TYR  21  -2.331  -1.958  -7.886
  157    HE2  TYR  21           2HE      TYR  21  -6.505  -1.873  -7.034
  158    HH   TYR  21           HH       TYR  21  -5.606  -1.017  -8.891
  159    H    VAL  22           H        VAL  22  -5.044  -3.993  -0.697
  160    HA   VAL  22           HA       VAL  22  -2.547  -4.630   0.713
  161    HB   VAL  22           HB       VAL  22  -3.716  -2.902   1.872
  162   1HG1  VAL  22          1HG1      VAL  22  -5.944  -3.294   0.873
  163   2HG1  VAL  22          2HG1      VAL  22  -6.158  -4.649   1.980
  164   3HG1  VAL  22          3HG1      VAL  22  -5.992  -3.014   2.613
  165   1HG2  VAL  22          1HG2      VAL  22  -4.178  -3.958   4.048
  166   2HG2  VAL  22          2HG2      VAL  22  -4.144  -5.536   3.263
  167   3HG2  VAL  22          3HG2      VAL  22  -2.687  -4.544   3.311
  168    H    ASN  23           H        ASN  23  -2.121  -6.693   0.827
  169    HA   ASN  23           HA       ASN  23  -4.033  -8.756   0.447
  170   1HB   ASN  23          2HB       ASN  23  -1.502  -8.887   0.094
  171   2HB   ASN  23          1HB       ASN  23  -1.364  -9.029   1.840
  172   1HD2  ASN  23          1HD2      ASN  23  -0.562 -10.909  -0.196
  173   2HD2  ASN  23          2HD2      ASN  23  -1.433 -12.370   0.117
  174    H    HIS  24           H        HIS  24  -5.357  -9.714   1.976
  175    HA   HIS  24           HA       HIS  24  -5.307  -8.594   4.657
  176   1HB   HIS  24          2HB       HIS  24  -7.224 -10.253   3.080
  177   2HB   HIS  24          1HB       HIS  24  -7.334 -10.291   4.838
  178    HD1  HIS  24           1HD      HIS  24  -9.643  -9.085   4.745
  179    HD2  HIS  24           2HD      HIS  24  -6.481  -6.902   3.151
  180    HE1  HIS  24           1HE      HIS  24 -10.493  -6.731   4.514
  181    HE2  HIS  24           2HE      HIS  24  -8.638  -5.477   3.361
  182    H    ASN  25           H        ASN  25  -4.373 -11.471   3.032
  183    HA   ASN  25           HA       ASN  25  -4.252 -13.032   5.472
  184   1HB   ASN  25          2HB       ASN  25  -4.522 -14.760   4.089
  185   2HB   ASN  25          1HB       ASN  25  -4.612 -13.619   2.755
  186   1HD2  ASN  25          1HD2      ASN  25  -3.100 -13.659   1.256
  187   2HD2  ASN  25          2HD2      ASN  25  -1.660 -14.616   1.302
  188    H    ASN  26           H        ASN  26  -2.084 -11.343   3.315
  189    HA   ASN  26           HA       ASN  26   0.175 -12.147   5.031
  190   1HB   ASN  26          2HB       ASN  26   0.106 -12.604   2.440
  191   2HB   ASN  26          1HB       ASN  26   0.580 -10.913   2.336
  192   1HD2  ASN  26          1HD2      ASN  26   2.475 -11.893   1.311
  193   2HD2  ASN  26          2HD2      ASN  26   3.789 -12.405   2.326
  194    H    ARG  27           H        ARG  27  -1.756  -9.567   3.973
  195    HA   ARG  27           HA       ARG  27  -1.803  -7.350   4.244
  196   1HB   ARG  27          2HB       ARG  27   0.003  -7.676   6.620
  197   2HB   ARG  27          1HB       ARG  27  -1.249  -6.468   6.339
  198   1HG   ARG  27          2HG       ARG  27  -2.674  -8.796   6.220
  199   2HG   ARG  27          1HG       ARG  27  -1.461  -9.152   7.453
  200   1HD   ARG  27          2HD       ARG  27  -2.791  -6.513   7.614
  201   2HD   ARG  27          1HD       ARG  27  -3.779  -7.923   7.995
  202    HE   ARG  27           HE       ARG  27  -1.465  -6.943   9.485
  203   1HH1  ARG  27          2HH1      ARG  27  -4.018  -9.304   9.119
  204   2HH1  ARG  27          1HH1      ARG  27  -3.747 -10.031  10.674
  205   1HH2  ARG  27          2HH2      ARG  27  -1.117  -7.876  11.542
  206   2HH2  ARG  27          1HH2      ARG  27  -2.099  -9.216  12.057
  207    H    SER  28           H        SER  28   0.247  -8.325   2.506
  208    HA   SER  28           HA       SER  28   2.395  -6.447   2.658
  209   1HB   SER  28          2HB       SER  28   1.494  -7.573   0.040
  210   2HB   SER  28          1HB       SER  28   3.128  -7.401   0.686
  211    HG   SER  28           HG       SER  28   2.778  -9.165   2.017
  212    H    THR  29           H        THR  29   2.144  -4.321   2.391
  213    HA   THR  29           HA       THR  29  -0.303  -3.372   1.086
  214    HB   THR  29           HB       THR  29   0.697  -1.147   2.208
  215    HG1  THR  29           1HG      THR  29   1.437  -2.082   4.386
  216   1HG2  THR  29          1HG2      THR  29  -1.493  -2.499   2.584
  217   2HG2  THR  29          2HG2      THR  29  -0.940  -1.386   3.835
  218   3HG2  THR  29          3HG2      THR  29  -0.658  -3.118   4.008
  219    H    GLN  30           H        GLN  30   0.744  -3.837  -1.042
  220    HA   GLN  30           HA       GLN  30   2.740  -1.798  -1.753
  221   1HB   GLN  30          2HB       GLN  30   3.222  -3.161  -3.743
  222   2HB   GLN  30          1HB       GLN  30   3.484  -4.049  -2.249
  223   1HG   GLN  30          2HG       GLN  30   1.256  -5.084  -2.569
  224   2HG   GLN  30          1HG       GLN  30   1.158  -4.313  -4.138
  225   1HE2  GLN  30          1HE2      GLN  30   1.951  -5.343  -5.813
  226   2HE2  GLN  30          2HE2      GLN  30   3.013  -6.704  -5.768
  227    H    TRP  31           H        TRP  31   2.398  -0.370  -3.360
  228    HA   TRP  31           HA       TRP  31  -0.380  -0.105  -4.252
  229   1HB   TRP  31          2HB       TRP  31   1.150   2.139  -5.093
  230   2HB   TRP  31          1HB       TRP  31  -0.085   2.080  -3.844
  231    HD1  TRP  31           HD       TRP  31   3.723   1.482  -4.163
  232    HE1  TRP  31           1HE      TRP  31   4.858   2.226  -1.977
  233    HE3  TRP  31           3HE      TRP  31  -0.437   2.797  -1.495
  234    HZ2  TRP  31           2HZ      TRP  31   4.080   3.225   0.536
  235    HZ3  TRP  31           3HZ      TRP  31  -0.149   3.635   0.787
  236    HH2  TRP  31           HH       TRP  31   2.060   3.852   1.776
  237    H    HIS  32           H        HIS  32   2.099  -1.733  -5.368
  238    HA   HIS  32           HA       HIS  32   2.012  -0.607  -8.083
  239   1HB   HIS  32          2HB       HIS  32   4.129  -1.545  -8.547
  240   2HB   HIS  32          1HB       HIS  32   4.253  -0.829  -6.952
  241    HD1  HIS  32           1HD      HIS  32   4.897  -2.345  -5.035
  242    HD2  HIS  32           2HD      HIS  32   4.235  -4.386  -8.603
  243    HE1  HIS  32           1HE      HIS  32   5.779  -4.671  -4.662
  244    HE2  HIS  32           2HE      HIS  32   5.595  -5.796  -6.908
  245    H    ARG  33           H        ARG  33   0.303  -2.694  -6.523
  246    HA   ARG  33           HA       ARG  33  -1.093  -4.374  -7.093
  247   1HB   ARG  33          2HB       ARG  33  -1.027  -2.948  -9.315
  248   2HB   ARG  33          1HB       ARG  33  -0.216  -4.378  -9.943
  249   1HG   ARG  33          2HG       ARG  33  -2.083  -5.670  -9.803
  250   2HG   ARG  33          1HG       ARG  33  -2.728  -4.780  -8.427
  251   1HD   ARG  33          2HD       ARG  33  -4.171  -4.106 -10.076
  252   2HD   ARG  33          1HD       ARG  33  -2.950  -2.839 -10.168
  253    HE   ARG  33           HE       ARG  33  -3.081  -5.142 -12.010
  254   1HH1  ARG  33          2HH1      ARG  33  -2.427  -1.767 -11.349
  255   2HH1  ARG  33          1HH1      ARG  33  -1.956  -1.410 -12.983
  256   1HH2  ARG  33          2HH2      ARG  33  -2.482  -4.682 -14.152
  257   2HH2  ARG  33          1HH2      ARG  33  -1.994  -3.066 -14.583
  258    HA   PRO  34           HA       PRO  34   1.622  -7.899  -6.806
  259   1HB   PRO  34          2HB       PRO  34  -0.423  -9.723  -6.552
  260   2HB   PRO  34          1HB       PRO  34   0.286  -8.818  -5.215
  261   1HG   PRO  34          2HG       PRO  34  -2.251  -8.338  -6.688
  262   2HG   PRO  34          1HG       PRO  34  -1.879  -8.088  -4.979
  263   1HD   PRO  34          2HD       PRO  34  -2.018  -6.062  -6.787
  264   2HD   PRO  34          1HD       PRO  34  -0.980  -6.013  -5.349
  265    H    SER  35           H        SER  35   2.541  -8.559  -8.627
  266    HA   SER  35           HA       SER  35   1.072  -8.923 -11.059
  267   1HB   SER  35          2HB       SER  35   3.754 -10.009 -11.119
  268   2HB   SER  35          1HB       SER  35   3.093  -8.617 -11.978
  269    HG   SER  35           HG       SER  35   3.645  -7.305 -10.315
  270    H    LEU  36           H        LEU  36   0.730 -10.848 -12.192
  271    HA   LEU  36           HA       LEU  36   1.158 -13.324 -10.661
  272   1HB   LEU  36          2HB       LEU  36  -1.310 -12.683 -12.278
  273   2HB   LEU  36          1HB       LEU  36  -1.019 -14.138 -11.345
  274    HG   LEU  36           HG       LEU  36  -1.172 -11.413 -10.077
  275   1HD1  LEU  36          1HD1      LEU  36  -3.485 -12.075  -9.431
  276   2HD1  LEU  36          2HD1      LEU  36  -3.280 -11.729 -11.148
  277   3HD1  LEU  36          3HD1      LEU  36  -3.374 -13.399 -10.590
  278   1HD2  LEU  36          1HD2      LEU  36  -1.748 -14.063  -8.816
  279   2HD2  LEU  36          2HD2      LEU  36  -0.098 -13.455  -8.947
  280   3HD2  LEU  36          3HD2      LEU  36  -1.309 -12.535  -8.053
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1 -10.769  -1.351 -16.127
    2   2H    GLY   1          2H        GLY   1 -12.218  -2.133 -16.538
    3   3H    GLY   1          3H        GLY   1 -10.967  -3.006 -15.804
    4   1HA   GLY   1          2HA       GLY   1 -11.455  -0.933 -14.077
    5   2HA   GLY   1          1HA       GLY   1 -13.044  -1.465 -14.611
    6    H    SER   2           H        SER   2 -11.819  -1.705 -11.986
    7    HA   SER   2           HA       SER   2 -11.645  -3.179 -10.278
    8   1HB   SER   2          2HB       SER   2 -12.961  -5.183 -12.123
    9   2HB   SER   2          1HB       SER   2 -12.899  -5.245 -10.363
   10    HG   SER   2           HG       SER   2 -14.892  -4.410 -11.352
   11    HA   PRO   3           HA       PRO   3  -7.655  -4.698 -11.942
   12   1HB   PRO   3          2HB       PRO   3  -7.068  -4.475  -9.040
   13   2HB   PRO   3          1HB       PRO   3  -6.143  -3.880 -10.423
   14   1HG   PRO   3          2HG       PRO   3  -7.537  -2.201  -8.895
   15   2HG   PRO   3          1HG       PRO   3  -7.456  -1.983 -10.654
   16   1HD   PRO   3          2HD       PRO   3  -9.669  -3.089  -8.978
   17   2HD   PRO   3          1HD       PRO   3  -9.754  -2.045 -10.412
   18    HA   PRO   4           HA       PRO   4  -8.587  -8.980 -10.856
   19   1HB   PRO   4          2HB       PRO   4  -5.953  -9.331 -12.184
   20   2HB   PRO   4          1HB       PRO   4  -7.490 -10.151 -12.488
   21   1HG   PRO   4          2HG       PRO   4  -6.562  -8.298 -14.175
   22   2HG   PRO   4          1HG       PRO   4  -8.295  -8.428 -13.816
   23   1HD   PRO   4          2HD       PRO   4  -6.292  -6.451 -12.806
   24   2HD   PRO   4          1HD       PRO   4  -7.994  -6.207 -13.251
   25    H    LEU   5           H        LEU   5  -8.292  -9.217  -8.730
   26    HA   LEU   5           HA       LEU   5  -5.553  -9.041  -7.670
   27   1HB   LEU   5          2HB       LEU   5  -7.819  -7.486  -7.053
   28   2HB   LEU   5          1HB       LEU   5  -7.566  -8.550  -5.688
   29    HG   LEU   5           HG       LEU   5  -5.306  -7.704  -5.393
   30   1HD1  LEU   5          1HD1      LEU   5  -5.654  -6.833  -8.090
   31   2HD1  LEU   5          2HD1      LEU   5  -5.269  -5.441  -7.076
   32   3HD1  LEU   5          3HD1      LEU   5  -4.191  -6.837  -7.102
   33   1HD2  LEU   5          1HD2      LEU   5  -5.855  -5.371  -4.810
   34   2HD2  LEU   5          2HD2      LEU   5  -7.368  -5.523  -5.704
   35   3HD2  LEU   5          3HD2      LEU   5  -7.088  -6.512  -4.270
   36    HA   PRO   6           HA       PRO   6  -6.263 -13.269  -6.404
   37   1HB   PRO   6          2HB       PRO   6  -4.025 -12.667  -4.550
   38   2HB   PRO   6          1HB       PRO   6  -4.174 -13.948  -5.758
   39   1HG   PRO   6          2HG       PRO   6  -2.568 -11.859  -6.176
   40   2HG   PRO   6          1HG       PRO   6  -3.515 -12.567  -7.500
   41   1HD   PRO   6          2HD       PRO   6  -4.037 -10.075  -5.918
   42   2HD   PRO   6          1HD       PRO   6  -4.220 -10.363  -7.662
   43    HA   PRO   7           HA       PRO   7  -8.707 -13.104  -2.804
   44   1HB   PRO   7          2HB       PRO   7  -8.033 -15.421  -1.500
   45   2HB   PRO   7          1HB       PRO   7  -9.102 -15.340  -2.903
   46   1HG   PRO   7          2HG       PRO   7  -6.206 -16.057  -2.764
   47   2HG   PRO   7          1HG       PRO   7  -7.500 -16.771  -3.747
   48   1HD   PRO   7          2HD       PRO   7  -5.706 -15.042  -4.771
   49   2HD   PRO   7          1HD       PRO   7  -7.383 -15.105  -5.335
   50    H    GLY   8           H        GLY   8  -8.526 -11.862  -1.095
   51   1HA   GLY   8          1HA       GLY   8  -7.737 -11.534   1.177
   52   2HA   GLY   8          2HA       GLY   8  -6.178 -12.173   0.668
   53    H    TRP   9           H        TRP   9  -6.727 -10.478  -1.883
   54    HA   TRP   9           HA       TRP   9  -5.304  -8.152  -0.890
   55   1HB   TRP   9          2HB       TRP   9  -6.031  -9.158  -3.635
   56   2HB   TRP   9          1HB       TRP   9  -5.316  -7.569  -3.388
   57    HD1  TRP   9           HD       TRP   9  -4.425 -11.233  -3.582
   58    HE1  TRP   9           1HE      TRP   9  -1.864 -11.489  -3.356
   59    HE3  TRP   9           3HE      TRP   9  -3.258  -6.477  -2.159
   60    HZ2  TRP   9           2HZ      TRP   9   0.343  -9.877  -2.665
   61    HZ3  TRP   9           3HZ      TRP   9  -0.914  -5.919  -1.723
   62    HH2  TRP   9           HH       TRP   9   0.852  -7.578  -1.977
   63    H    GLU  10           H        GLU  10  -6.180  -6.190  -0.558
   64    HA   GLU  10           HA       GLU  10  -8.938  -5.751  -1.508
   65   1HB   GLU  10          2HB       GLU  10  -7.718  -5.450   1.145
   66   2HB   GLU  10          1HB       GLU  10  -8.635  -4.045   0.625
   67   1HG   GLU  10          2HG       GLU  10 -10.607  -5.346   0.343
   68   2HG   GLU  10          1HG       GLU  10  -9.726  -6.841   0.617
   69    H    GLU  11           H        GLU  11  -9.357  -3.914  -2.599
   70    HA   GLU  11           HA       GLU  11  -7.119  -2.203  -3.295
   71   1HB   GLU  11          2HB       GLU  11  -8.955  -3.026  -4.897
   72   2HB   GLU  11          1HB       GLU  11  -9.971  -1.797  -4.157
   73   1HG   GLU  11          2HG       GLU  11  -7.890  -0.264  -4.731
   74   2HG   GLU  11          1HG       GLU  11  -7.643  -1.503  -5.963
   75    H    LYS  12           H        LYS  12  -6.582  -0.499  -2.118
   76    HA   LYS  12           HA       LYS  12  -8.712   1.014  -0.756
   77   1HB   LYS  12          2HB       LYS  12  -6.112   0.033   0.421
   78   2HB   LYS  12          1HB       LYS  12  -7.036   1.344   1.136
   79   1HG   LYS  12          2HG       LYS  12  -8.901  -0.665   0.824
   80   2HG   LYS  12          1HG       LYS  12  -7.433  -1.523   1.297
   81   1HD   LYS  12          2HD       LYS  12  -8.621   0.829   2.759
   82   2HD   LYS  12          1HD       LYS  12  -8.812  -0.861   3.226
   83   1HE   LYS  12          2HE       LYS  12  -6.817  -0.914   4.203
   84   2HE   LYS  12          1HE       LYS  12  -6.036  -0.136   2.827
   85   1HZ   LYS  12          1HZ       LYS  12  -5.789   1.276   4.705
   86   2HZ   LYS  12          2HZ       LYS  12  -7.438   1.191   5.077
   87   3HZ   LYS  12          3HZ       LYS  12  -6.928   2.003   3.683
   88    H    VAL  13           H        VAL  13  -8.446   3.240  -0.822
   89    HA   VAL  13           HA       VAL  13  -5.997   4.200  -2.114
   90    HB   VAL  13           HB       VAL  13  -8.730   5.098  -2.194
   91   1HG1  VAL  13          1HG1      VAL  13  -8.600   7.398  -1.788
   92   2HG1  VAL  13          2HG1      VAL  13  -7.814   6.662  -0.391
   93   3HG1  VAL  13          3HG1      VAL  13  -6.839   7.363  -1.680
   94   1HG2  VAL  13          1HG2      VAL  13  -6.503   6.451  -3.633
   95   2HG2  VAL  13          2HG2      VAL  13  -6.863   4.759  -3.987
   96   3HG2  VAL  13          3HG2      VAL  13  -8.105   5.989  -4.214
   97    H    ASP  14           H        ASP  14  -4.427   5.100  -0.985
   98    HA   ASP  14           HA       ASP  14  -4.698   5.454   1.858
   99   1HB   ASP  14          2HB       ASP  14  -2.595   4.639   1.246
  100   2HB   ASP  14          1HB       ASP  14  -2.457   5.733  -0.122
  101    H    ASN  15           H        ASN  15  -4.082   7.474   2.926
  102    HA   ASN  15           HA       ASN  15  -5.763   9.569   2.258
  103   1HB   ASN  15          2HB       ASN  15  -5.005  10.589   4.169
  104   2HB   ASN  15          1HB       ASN  15  -4.466   8.944   4.469
  105   1HD2  ASN  15          1HD2      ASN  15  -2.189   8.481   3.638
  106   2HD2  ASN  15          2HD2      ASN  15  -1.013   9.716   3.933
  107    H    LEU  16           H        LEU  16  -2.567   8.924   1.087
  108    HA   LEU  16           HA       LEU  16  -2.110  11.633   0.178
  109   1HB   LEU  16          2HB       LEU  16  -0.603   9.079   0.173
  110   2HB   LEU  16          1HB       LEU  16  -0.208  10.238  -1.081
  111    HG   LEU  16           HG       LEU  16  -0.278  11.156   1.760
  112   1HD1  LEU  16          1HD1      LEU  16   1.112   9.402   2.201
  113   2HD1  LEU  16          2HD1      LEU  16   1.693   9.299   0.538
  114   3HD1  LEU  16          3HD1      LEU  16   2.284  10.576   1.602
  115   1HD2  LEU  16          1HD2      LEU  16   1.780  12.398   0.709
  116   2HD2  LEU  16          2HD2      LEU  16   0.993  11.967  -0.809
  117   3HD2  LEU  16          3HD2      LEU  16   0.135  12.943   0.383
  118    H    GLY  17           H        GLY  17  -4.111   9.271  -0.890
  119   1HA   GLY  17          1HA       GLY  17  -5.350   9.273  -2.860
  120   2HA   GLY  17          2HA       GLY  17  -4.210  10.420  -3.552
  121    H    ARG  18           H        ARG  18  -3.147   7.470  -2.044
  122    HA   ARG  18           HA       ARG  18  -2.262   6.533  -4.684
  123   1HB   ARG  18          2HB       ARG  18  -1.073   5.159  -2.381
  124   2HB   ARG  18          1HB       ARG  18  -0.299   5.871  -3.782
  125   1HG   ARG  18          2HG       ARG  18  -0.587   8.110  -2.705
  126   2HG   ARG  18          1HG       ARG  18  -1.123   7.259  -1.253
  127   1HD   ARG  18          2HD       ARG  18   0.998   6.984  -0.660
  128   2HD   ARG  18          1HD       ARG  18   1.255   6.012  -2.106
  129    HE   ARG  18           HE       ARG  18   1.420   8.904  -2.426
  130   1HH1  ARG  18          2HH1      ARG  18   3.084   5.837  -2.120
  131   2HH1  ARG  18          1HH1      ARG  18   4.612   6.460  -2.657
  132   1HH2  ARG  18          2HH2      ARG  18   3.441   9.739  -3.113
  133   2HH2  ARG  18          1HH2      ARG  18   4.830   8.689  -3.166
  134    H    THR  19           H        THR  19  -3.684   5.154  -5.473
  135    HA   THR  19           HA       THR  19  -5.331   3.479  -3.835
  136    HB   THR  19           HB       THR  19  -4.949   2.806  -6.707
  137    HG1  THR  19           1HG      THR  19  -4.833   5.100  -6.740
  138   1HG2  THR  19          1HG2      THR  19  -7.498   2.917  -6.563
  139   2HG2  THR  19          2HG2      THR  19  -7.278   3.134  -4.826
  140   3HG2  THR  19          3HG2      THR  19  -6.702   1.663  -5.609
  141    H    TYR  20           H        TYR  20  -4.236   1.969  -2.674
  142    HA   TYR  20           HA       TYR  20  -2.275   0.318  -4.109
  143   1HB   TYR  20          2HB       TYR  20  -1.103  -0.038  -2.066
  144   2HB   TYR  20          1HB       TYR  20  -1.368   1.683  -2.234
  145    HD1  TYR  20           1HD      TYR  20  -1.498  -1.032  -0.042
  146    HD2  TYR  20           2HD      TYR  20  -3.533   2.587  -0.972
  147    HE1  TYR  20           1HE      TYR  20  -2.425  -0.975   2.229
  148    HE2  TYR  20           2HE      TYR  20  -4.473   2.647   1.303
  149    HH   TYR  20           HH       TYR  20  -3.326   0.603   3.810
  150    H    TYR  21           H        TYR  21  -1.991  -1.853  -2.916
  151    HA   TYR  21           HA       TYR  21  -4.673  -2.978  -2.505
  152   1HB   TYR  21          2HB       TYR  21  -2.380  -4.336  -3.940
  153   2HB   TYR  21          1HB       TYR  21  -4.041  -4.913  -3.806
  154    HD1  TYR  21           1HD      TYR  21  -1.755  -3.054  -5.805
  155    HD2  TYR  21           2HD      TYR  21  -5.877  -3.387  -4.802
  156    HE1  TYR  21           1HE      TYR  21  -2.352  -1.821  -7.846
  157    HE2  TYR  21           2HE      TYR  21  -6.479  -2.162  -6.841
  158    HH   TYR  21           HH       TYR  21  -5.544  -0.655  -8.422
  159    H    VAL  22           H        VAL  22  -4.886  -3.793  -0.591
  160    HA   VAL  22           HA       VAL  22  -2.471  -4.472   0.935
  161    HB   VAL  22           HB       VAL  22  -3.556  -2.709   2.038
  162   1HG1  VAL  22          1HG1      VAL  22  -5.636  -2.663   0.847
  163   2HG1  VAL  22          2HG1      VAL  22  -6.159  -4.157   1.623
  164   3HG1  VAL  22          3HG1      VAL  22  -5.963  -2.687   2.580
  165   1HG2  VAL  22          1HG2      VAL  22  -4.012  -5.370   3.250
  166   2HG2  VAL  22          2HG2      VAL  22  -3.051  -4.008   3.825
  167   3HG2  VAL  22          3HG2      VAL  22  -4.806  -3.988   4.011
  168    H    ASN  23           H        ASN  23  -2.110  -6.580   0.925
  169    HA   ASN  23           HA       ASN  23  -4.165  -8.545   0.695
  170   1HB   ASN  23          2HB       ASN  23  -1.633  -8.761   0.137
  171   2HB   ASN  23          1HB       ASN  23  -1.444  -9.093   1.852
  172   1HD2  ASN  23          1HD2      ASN  23  -1.106 -10.718  -0.648
  173   2HD2  ASN  23          2HD2      ASN  23  -2.010 -12.163  -0.357
  174    H    HIS  24           H        HIS  24  -5.093  -9.816   2.354
  175    HA   HIS  24           HA       HIS  24  -4.642  -8.764   5.063
  176   1HB   HIS  24          2HB       HIS  24  -7.018  -9.997   3.728
  177   2HB   HIS  24          1HB       HIS  24  -6.861 -10.095   5.481
  178    HD1  HIS  24           1HD      HIS  24  -8.731  -8.466   6.051
  179    HD2  HIS  24           2HD      HIS  24  -5.876  -6.883   3.481
  180    HE1  HIS  24           1HE      HIS  24  -9.213  -6.001   5.950
  181    HE2  HIS  24           2HE      HIS  24  -7.637  -5.121   4.197
  182    H    ASN  25           H        ASN  25  -4.328 -11.570   3.100
  183    HA   ASN  25           HA       ASN  25  -4.028 -13.354   5.367
  184   1HB   ASN  25          2HB       ASN  25  -4.607 -14.917   3.870
  185   2HB   ASN  25          1HB       ASN  25  -4.679 -13.673   2.631
  186   1HD2  ASN  25          1HD2      ASN  25  -3.253 -13.712   1.031
  187   2HD2  ASN  25          2HD2      ASN  25  -1.931 -14.817   0.904
  188    H    ASN  26           H        ASN  26  -1.995 -11.852   2.890
  189    HA   ASN  26           HA       ASN  26   0.397 -12.709   4.366
  190   1HB   ASN  26          2HB       ASN  26   0.022 -12.760   1.718
  191   2HB   ASN  26          1HB       ASN  26   0.606 -11.105   1.859
  192   1HD2  ASN  26          1HD2      ASN  26   2.711 -10.776   2.829
  193   2HD2  ASN  26          2HD2      ASN  26   3.907 -12.018   2.706
  194    H    ARG  27           H        ARG  27  -1.706 -10.138   3.946
  195    HA   ARG  27           HA       ARG  27  -1.834  -7.997   4.596
  196   1HB   ARG  27          2HB       ARG  27   0.282  -8.880   6.548
  197   2HB   ARG  27          1HB       ARG  27  -0.557  -7.333   6.607
  198   1HG   ARG  27          2HG       ARG  27  -2.410  -9.540   6.435
  199   2HG   ARG  27          1HG       ARG  27  -1.345  -9.671   7.836
  200   1HD   ARG  27          2HD       ARG  27  -3.630  -8.066   7.562
  201   2HD   ARG  27          1HD       ARG  27  -2.481  -8.087   8.896
  202    HE   ARG  27           HE       ARG  27  -1.205  -6.400   7.441
  203   1HH1  ARG  27          2HH1      ARG  27  -4.694  -6.673   7.597
  204   2HH1  ARG  27          1HH1      ARG  27  -4.968  -4.999   7.208
  205   1HH2  ARG  27          2HH2      ARG  27  -1.559  -4.217   6.875
  206   2HH2  ARG  27          1HH2      ARG  27  -3.188  -3.603   6.770
  207    H    SER  28           H        SER  28   0.213  -8.763   2.527
  208    HA   SER  28           HA       SER  28   2.255  -6.836   2.564
  209   1HB   SER  28          2HB       SER  28   1.271  -7.419  -0.098
  210   2HB   SER  28          1HB       SER  28   2.796  -7.894   0.654
  211    HG   SER  28           HG       SER  28   1.599  -9.745   0.150
  212    H    THR  29           H        THR  29   2.153  -4.689   2.339
  213    HA   THR  29           HA       THR  29  -0.383  -3.519   1.382
  214    HB   THR  29           HB       THR  29   1.006  -1.546   2.815
  215    HG1  THR  29           1HG      THR  29   2.039  -3.728   3.629
  216   1HG2  THR  29          1HG2      THR  29  -1.023  -1.310   3.729
  217   2HG2  THR  29          2HG2      THR  29  -1.000  -2.950   4.379
  218   3HG2  THR  29          3HG2      THR  29  -1.524  -2.665   2.719
  219    H    GLN  30           H        GLN  30   0.626  -3.764  -0.776
  220    HA   GLN  30           HA       GLN  30   2.701  -1.751  -1.322
  221   1HB   GLN  30          2HB       GLN  30   2.943  -3.051  -3.506
  222   2HB   GLN  30          1HB       GLN  30   3.507  -3.834  -2.038
  223   1HG   GLN  30          2HG       GLN  30   2.299  -5.588  -2.637
  224   2HG   GLN  30          1HG       GLN  30   0.867  -4.633  -2.259
  225   1HE2  GLN  30          1HE2      GLN  30   2.598  -6.226  -4.657
  226   2HE2  GLN  30          2HE2      GLN  30   1.661  -5.711  -6.014
  227    H    TRP  31           H        TRP  31   2.486  -0.388  -3.206
  228    HA   TRP  31           HA       TRP  31  -0.295  -0.102  -4.118
  229   1HB   TRP  31          2HB       TRP  31   1.155   2.252  -4.764
  230   2HB   TRP  31          1HB       TRP  31  -0.178   2.068  -3.645
  231    HD1  TRP  31           HD       TRP  31   3.620   1.326  -3.374
  232    HE1  TRP  31           1HE      TRP  31   4.477   2.320  -1.160
  233    HE3  TRP  31           3HE      TRP  31  -0.746   3.345  -1.668
  234    HZ2  TRP  31           2HZ      TRP  31   3.427   3.780   1.008
  235    HZ3  TRP  31           3HZ      TRP  31  -0.732   4.531   0.474
  236    HH2  TRP  31           HH       TRP  31   1.309   4.750   1.776
  237    H    HIS  32           H        HIS  32   2.042  -1.746  -5.237
  238    HA   HIS  32           HA       HIS  32   2.208  -0.393  -7.849
  239   1HB   HIS  32          2HB       HIS  32   4.319  -1.397  -8.257
  240   2HB   HIS  32          1HB       HIS  32   4.372  -0.765  -6.618
  241    HD1  HIS  32           1HD      HIS  32   4.594  -2.451  -4.700
  242    HD2  HIS  32           2HD      HIS  32   4.474  -4.190  -8.481
  243    HE1  HIS  32           1HE      HIS  32   5.289  -4.847  -4.372
  244    HE2  HIS  32           2HE      HIS  32   5.261  -5.874  -6.674
  245    H    ARG  33           H        ARG  33   0.561  -2.791  -6.407
  246    HA   ARG  33           HA       ARG  33  -0.868  -4.352  -7.210
  247   1HB   ARG  33          2HB       ARG  33  -0.754  -2.675  -9.283
  248   2HB   ARG  33          1HB       ARG  33   0.008  -4.067 -10.040
  249   1HG   ARG  33          2HG       ARG  33  -2.580  -4.426  -8.606
  250   2HG   ARG  33          1HG       ARG  33  -2.570  -3.702 -10.216
  251   1HD   ARG  33          2HD       ARG  33  -0.902  -5.877 -10.482
  252   2HD   ARG  33          1HD       ARG  33  -2.164  -6.467  -9.401
  253    HE   ARG  33           HE       ARG  33  -3.339  -5.118 -11.580
  254   1HH1  ARG  33          2HH1      ARG  33  -1.602  -8.061 -10.834
  255   2HH1  ARG  33          1HH1      ARG  33  -2.351  -8.984 -12.109
  256   1HH2  ARG  33          2HH2      ARG  33  -4.331  -6.308 -13.245
  257   2HH2  ARG  33          1HH2      ARG  33  -3.927  -7.990 -13.472
  258    HA   PRO  34           HA       PRO  34   1.851  -7.876  -7.183
  259   1HB   PRO  34          2HB       PRO  34  -0.664  -9.388  -7.502
  260   2HB   PRO  34          1HB       PRO  34   0.542  -9.474  -6.216
  261   1HG   PRO  34          2HG       PRO  34  -1.865  -8.355  -5.817
  262   2HG   PRO  34          1HG       PRO  34  -0.402  -7.732  -5.032
  263   1HD   PRO  34          2HD       PRO  34  -1.886  -6.667  -7.399
  264   2HD   PRO  34          1HD       PRO  34  -1.109  -5.790  -6.065
  265    H    SER  35           H        SER  35   2.895  -8.768  -8.832
  266    HA   SER  35           HA       SER  35   1.942  -8.543 -11.504
  267   1HB   SER  35          2HB       SER  35   4.188 -10.349 -11.169
  268   2HB   SER  35          1HB       SER  35   4.127  -8.775 -11.968
  269    HG   SER  35           HG       SER  35   5.106  -7.979 -10.300
  270    H    LEU  36           H        LEU  36  -0.021  -9.766 -11.381
  271    HA   LEU  36           HA       LEU  36   0.424 -12.603 -11.923
  272   1HB   LEU  36          2HB       LEU  36  -1.011 -11.518  -9.637
  273   2HB   LEU  36          1HB       LEU  36  -2.053 -12.514 -10.633
  274    HG   LEU  36           HG       LEU  36  -1.291 -14.166  -9.301
  275   1HD1  LEU  36          1HD1      LEU  36  -0.383 -15.168 -11.120
  276   2HD1  LEU  36          2HD1      LEU  36   0.710 -13.825 -11.458
  277   3HD1  LEU  36          3HD1      LEU  36   1.090 -14.970 -10.171
  278   1HD2  LEU  36          1HD2      LEU  36   1.353 -12.796  -8.882
  279   2HD2  LEU  36          2HD2      LEU  36  -0.074 -12.468  -7.902
  280   3HD2  LEU  36          3HD2      LEU  36   0.632 -14.084  -7.917
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1 -15.293 -10.869 -14.997
    2   2H    GLY   1          2H        GLY   1 -16.040 -11.991 -16.027
    3   3H    GLY   1          3H        GLY   1 -15.522 -10.497 -16.636
    4   1HA   GLY   1          2HA       GLY   1 -14.101 -12.617 -17.032
    5   2HA   GLY   1          1HA       GLY   1 -13.327 -11.079 -16.667
    6    H    SER   2           H        SER   2 -11.969 -13.397 -16.187
    7    HA   SER   2           HA       SER   2 -12.274 -14.316 -13.514
    8   1HB   SER   2          2HB       SER   2  -9.589 -14.667 -14.438
    9   2HB   SER   2          1HB       SER   2 -10.864 -15.877 -14.287
   10    HG   SER   2           HG       SER   2 -11.440 -15.573 -16.362
   11    HA   PRO   3           HA       PRO   3 -10.722 -10.725 -11.431
   12   1HB   PRO   3          2HB       PRO   3 -10.082 -12.714  -9.311
   13   2HB   PRO   3          1HB       PRO   3 -11.024 -11.222  -9.210
   14   1HG   PRO   3          2HG       PRO   3 -12.231 -13.595  -9.205
   15   2HG   PRO   3          1HG       PRO   3 -12.937 -12.217 -10.070
   16   1HD   PRO   3          2HD       PRO   3 -11.449 -14.575 -11.148
   17   2HD   PRO   3          1HD       PRO   3 -12.851 -13.722 -11.823
   18    HA   PRO   4           HA       PRO   4  -6.324 -11.338 -12.289
   19   1HB   PRO   4          2HB       PRO   4  -6.164  -8.441 -12.007
   20   2HB   PRO   4          1HB       PRO   4  -5.886  -9.432 -13.440
   21   1HG   PRO   4          2HG       PRO   4  -8.018  -7.770 -13.180
   22   2HG   PRO   4          1HG       PRO   4  -8.058  -9.256 -14.145
   23   1HD   PRO   4          2HD       PRO   4  -9.125  -8.750 -11.394
   24   2HD   PRO   4          1HD       PRO   4  -9.833  -9.690 -12.725
   25    H    LEU   5           H        LEU   5  -7.955  -9.795  -9.697
   26    HA   LEU   5           HA       LEU   5  -5.527  -9.623  -8.081
   27   1HB   LEU   5          2HB       LEU   5  -7.447  -7.818  -8.300
   28   2HB   LEU   5          1HB       LEU   5  -8.222  -8.815  -7.085
   29    HG   LEU   5           HG       LEU   5  -6.387  -8.470  -5.548
   30   1HD1  LEU   5          1HD1      LEU   5  -5.105  -7.037  -7.861
   31   2HD1  LEU   5          2HD1      LEU   5  -4.575  -6.837  -6.190
   32   3HD1  LEU   5          3HD1      LEU   5  -4.491  -8.422  -6.959
   33   1HD2  LEU   5          1HD2      LEU   5  -7.508  -6.651  -4.942
   34   2HD2  LEU   5          2HD2      LEU   5  -6.492  -5.707  -6.028
   35   3HD2  LEU   5          3HD2      LEU   5  -8.026  -6.361  -6.601
   36    HA   PRO   6           HA       PRO   6  -6.617 -13.649  -6.447
   37   1HB   PRO   6          2HB       PRO   6  -4.468 -12.980  -4.527
   38   2HB   PRO   6          1HB       PRO   6  -4.623 -14.371  -5.604
   39   1HG   PRO   6          2HG       PRO   6  -2.859 -12.436  -6.117
   40   2HG   PRO   6          1HG       PRO   6  -3.759 -13.225  -7.426
   41   1HD   PRO   6          2HD       PRO   6  -4.233 -10.561  -6.140
   42   2HD   PRO   6          1HD       PRO   6  -4.296 -11.008  -7.857
   43    HA   PRO   7           HA       PRO   7  -9.271 -12.705  -3.051
   44   1HB   PRO   7          2HB       PRO   7  -8.698 -15.463  -2.132
   45   2HB   PRO   7          1HB       PRO   7 -10.241 -14.718  -2.559
   46   1HG   PRO   7          2HG       PRO   7  -9.101 -16.502  -4.175
   47   2HG   PRO   7          1HG       PRO   7  -9.937 -15.079  -4.832
   48   1HD   PRO   7          2HD       PRO   7  -7.000 -15.555  -4.477
   49   2HD   PRO   7          1HD       PRO   7  -7.856 -14.825  -5.849
   50    H    GLY   8           H        GLY   8  -8.556 -11.428  -1.501
   51   1HA   GLY   8          1HA       GLY   8  -7.684 -11.675   0.891
   52   2HA   GLY   8          2HA       GLY   8  -6.229 -12.283   0.097
   53    H    TRP   9           H        TRP   9  -6.797 -10.338  -2.156
   54    HA   TRP   9           HA       TRP   9  -5.342  -8.115  -0.981
   55   1HB   TRP   9          2HB       TRP   9  -6.089  -8.791  -3.830
   56   2HB   TRP   9          1HB       TRP   9  -5.189  -7.350  -3.373
   57    HD1  TRP   9           HD       TRP   9  -4.781 -11.068  -3.960
   58    HE1  TRP   9           1HE      TRP   9  -2.282 -11.690  -3.749
   59    HE3  TRP   9           3HE      TRP   9  -3.016  -6.653  -2.102
   60    HZ2  TRP   9           2HZ      TRP   9   0.111 -10.454  -2.887
   61    HZ3  TRP   9           3HZ      TRP   9  -0.630  -6.459  -1.595
   62    HH2  TRP   9           HH       TRP   9   0.911  -8.314  -1.990
   63    H    GLU  10           H        GLU  10  -6.077  -6.027  -0.833
   64    HA   GLU  10           HA       GLU  10  -8.842  -5.502  -1.694
   65   1HB   GLU  10          2HB       GLU  10  -7.714  -5.455   0.987
   66   2HB   GLU  10          1HB       GLU  10  -8.429  -3.911   0.546
   67   1HG   GLU  10          2HG       GLU  10 -10.546  -4.835   0.264
   68   2HG   GLU  10          1HG       GLU  10  -9.914  -6.480   0.169
   69    H    GLU  11           H        GLU  11  -9.001  -3.787  -2.959
   70    HA   GLU  11           HA       GLU  11  -6.762  -1.994  -3.323
   71   1HB   GLU  11          2HB       GLU  11  -8.437  -2.902  -5.115
   72   2HB   GLU  11          1HB       GLU  11  -9.472  -1.596  -4.552
   73   1HG   GLU  11          2HG       GLU  11  -7.731   0.021  -5.099
   74   2HG   GLU  11          1HG       GLU  11  -6.693  -1.287  -5.665
   75    H    LYS  12           H        LYS  12  -6.448  -0.401  -1.933
   76    HA   LYS  12           HA       LYS  12  -8.758   1.184  -1.020
   77   1HB   LYS  12          2HB       LYS  12  -6.516   0.064   0.660
   78   2HB   LYS  12          1HB       LYS  12  -7.487   1.431   1.188
   79   1HG   LYS  12          2HG       LYS  12  -9.343   0.151   1.546
   80   2HG   LYS  12          1HG       LYS  12  -8.888  -1.038   0.326
   81   1HD   LYS  12          2HD       LYS  12  -7.706  -2.273   1.784
   82   2HD   LYS  12          1HD       LYS  12  -7.047  -0.856   2.600
   83   1HE   LYS  12          2HE       LYS  12  -8.422  -2.055   4.153
   84   2HE   LYS  12          1HE       LYS  12  -9.241  -0.556   3.725
   85   1HZ   LYS  12          1HZ       LYS  12 -10.446  -1.988   2.001
   86   2HZ   LYS  12          2HZ       LYS  12 -10.897  -2.163   3.629
   87   3HZ   LYS  12          3HZ       LYS  12  -9.891  -3.318   2.900
   88    H    VAL  13           H        VAL  13  -8.350   3.395  -0.754
   89    HA   VAL  13           HA       VAL  13  -5.809   4.305  -1.877
   90    HB   VAL  13           HB       VAL  13  -8.526   5.441  -1.735
   91   1HG1  VAL  13          1HG1      VAL  13  -7.866   7.749  -1.718
   92   2HG1  VAL  13          2HG1      VAL  13  -7.283   6.984  -0.238
   93   3HG1  VAL  13          3HG1      VAL  13  -6.166   7.296  -1.566
   94   1HG2  VAL  13          1HG2      VAL  13  -6.379   6.318  -3.599
   95   2HG2  VAL  13          2HG2      VAL  13  -7.009   4.674  -3.732
   96   3HG2  VAL  13          3HG2      VAL  13  -8.098   6.053  -3.905
   97    H    ASP  14           H        ASP  14  -4.329   5.457  -0.730
   98    HA   ASP  14           HA       ASP  14  -4.457   5.172   2.134
   99   1HB   ASP  14          2HB       ASP  14  -2.172   5.537   2.135
  100   2HB   ASP  14          1HB       ASP  14  -2.412   4.888   0.517
  101    H    ASN  15           H        ASN  15  -3.052   7.291   3.104
  102    HA   ASN  15           HA       ASN  15  -5.024   9.250   3.508
  103   1HB   ASN  15          2HB       ASN  15  -3.671   9.425   5.290
  104   2HB   ASN  15          1HB       ASN  15  -2.328   8.680   4.438
  105   1HD2  ASN  15          1HD2      ASN  15  -0.663   9.908   3.849
  106   2HD2  ASN  15          2HD2      ASN  15  -0.607  11.637   3.976
  107    H    LEU  16           H        LEU  16  -2.324   9.075   1.258
  108    HA   LEU  16           HA       LEU  16  -2.545  11.836   0.462
  109   1HB   LEU  16          2HB       LEU  16  -1.102   9.551  -0.884
  110   2HB   LEU  16          1HB       LEU  16  -0.909  11.251  -1.264
  111    HG   LEU  16           HG       LEU  16  -0.263  10.117   1.450
  112   1HD1  LEU  16          1HD1      LEU  16   1.157   8.932  -0.026
  113   2HD1  LEU  16          2HD1      LEU  16   1.488  10.378  -0.978
  114   3HD1  LEU  16          3HD1      LEU  16   2.117  10.240   0.663
  115   1HD2  LEU  16          1HD2      LEU  16  -0.231  12.743   0.225
  116   2HD2  LEU  16          2HD2      LEU  16  -0.094  12.282   1.923
  117   3HD2  LEU  16          3HD2      LEU  16   1.338  12.296   0.894
  118    H    GLY  17           H        GLY  17  -3.331   8.700  -1.032
  119   1HA   GLY  17          1HA       GLY  17  -5.601   8.861  -2.212
  120   2HA   GLY  17          2HA       GLY  17  -4.831  10.167  -3.104
  121    H    ARG  18           H        ARG  18  -2.918   7.460  -2.145
  122    HA   ARG  18           HA       ARG  18  -2.784   6.582  -4.940
  123   1HB   ARG  18          2HB       ARG  18  -1.023   5.453  -2.795
  124   2HB   ARG  18          1HB       ARG  18  -0.683   5.705  -4.498
  125   1HG   ARG  18          2HG       ARG  18  -0.964   8.258  -3.718
  126   2HG   ARG  18          1HG       ARG  18  -0.375   7.539  -2.217
  127   1HD   ARG  18          2HD       ARG  18   1.535   8.257  -3.423
  128   2HD   ARG  18          1HD       ARG  18   1.475   6.500  -3.563
  129    HE   ARG  18           HE       ARG  18   0.689   8.391  -5.693
  130   1HH1  ARG  18          2HH1      ARG  18   1.940   5.291  -4.651
  131   2HH1  ARG  18          1HH1      ARG  18   2.187   4.697  -6.265
  132   1HH2  ARG  18          2HH2      ARG  18   1.031   7.624  -7.819
  133   2HH2  ARG  18          1HH2      ARG  18   1.654   6.021  -8.073
  134    H    THR  19           H        THR  19  -3.682   4.723  -5.566
  135    HA   THR  19           HA       THR  19  -5.238   3.238  -3.657
  136    HB   THR  19           HB       THR  19  -5.112   1.956  -6.212
  137    HG1  THR  19           1HG      THR  19  -5.916   4.653  -6.497
  138   1HG2  THR  19          1HG2      THR  19  -7.262   1.743  -5.676
  139   2HG2  THR  19          2HG2      THR  19  -7.495   3.477  -5.906
  140   3HG2  THR  19          3HG2      THR  19  -7.031   2.851  -4.322
  141    H    TYR  20           H        TYR  20  -4.004   1.961  -2.353
  142    HA   TYR  20           HA       TYR  20  -1.993   0.258  -3.620
  143   1HB   TYR  20          2HB       TYR  20  -1.110  -0.175  -1.410
  144   2HB   TYR  20          1HB       TYR  20  -1.250   1.558  -1.650
  145    HD1  TYR  20           1HD      TYR  20  -3.002   2.832  -0.452
  146    HD2  TYR  20           2HD      TYR  20  -2.369  -1.312   0.248
  147    HE1  TYR  20           1HE      TYR  20  -4.287   2.994   1.636
  148    HE2  TYR  20           2HE      TYR  20  -3.657  -1.160   2.322
  149    HH   TYR  20           HH       TYR  20  -4.845   1.949   3.539
  150    H    TYR  21           H        TYR  21  -1.843  -1.967  -2.759
  151    HA   TYR  21           HA       TYR  21  -4.546  -3.117  -2.529
  152   1HB   TYR  21          2HB       TYR  21  -2.128  -4.328  -3.911
  153   2HB   TYR  21          1HB       TYR  21  -3.685  -5.109  -3.722
  154    HD1  TYR  21           1HD      TYR  21  -3.446  -5.448  -6.215
  155    HD2  TYR  21           2HD      TYR  21  -3.938  -1.592  -4.493
  156    HE1  TYR  21           1HE      TYR  21  -4.168  -4.574  -8.388
  157    HE2  TYR  21           2HE      TYR  21  -4.666  -0.709  -6.665
  158    HH   TYR  21           HH       TYR  21  -5.786  -2.353  -9.034
  159    H    VAL  22           H        VAL  22  -4.762  -3.764  -0.490
  160    HA   VAL  22           HA       VAL  22  -2.364  -4.738   0.888
  161    HB   VAL  22           HB       VAL  22  -3.345  -2.924   2.068
  162   1HG1  VAL  22          1HG1      VAL  22  -5.897  -4.305   1.499
  163   2HG1  VAL  22          2HG1      VAL  22  -5.774  -3.427   3.022
  164   3HG1  VAL  22          3HG1      VAL  22  -5.513  -2.584   1.495
  165   1HG2  VAL  22          1HG2      VAL  22  -3.012  -5.458   3.200
  166   2HG2  VAL  22          2HG2      VAL  22  -2.965  -3.899   4.022
  167   3HG2  VAL  22          3HG2      VAL  22  -4.481  -4.801   3.921
  168    H    ASN  23           H        ASN  23  -2.123  -6.829   0.932
  169    HA   ASN  23           HA       ASN  23  -4.284  -8.672   0.682
  170   1HB   ASN  23          2HB       ASN  23  -1.809  -9.052   0.067
  171   2HB   ASN  23          1HB       ASN  23  -1.564  -9.355   1.785
  172   1HD2  ASN  23          1HD2      ASN  23  -2.581 -10.647  -1.182
  173   2HD2  ASN  23          2HD2      ASN  23  -3.105 -12.186  -0.598
  174    H    HIS  24           H        HIS  24  -5.280  -9.908   2.354
  175    HA   HIS  24           HA       HIS  24  -4.773  -8.833   5.044
  176   1HB   HIS  24          2HB       HIS  24  -7.218  -9.899   3.716
  177   2HB   HIS  24          1HB       HIS  24  -7.078 -10.025   5.469
  178    HD1  HIS  24           1HD      HIS  24  -8.407  -8.191   6.447
  179    HD2  HIS  24           2HD      HIS  24  -6.241  -6.944   3.132
  180    HE1  HIS  24           1HE      HIS  24  -8.888  -5.739   6.215
  181    HE2  HIS  24           2HE      HIS  24  -7.847  -5.112   4.015
  182    H    ASN  25           H        ASN  25  -4.147 -11.514   3.204
  183    HA   ASN  25           HA       ASN  25  -4.237 -13.360   5.469
  184   1HB   ASN  25          2HB       ASN  25  -4.769 -14.907   3.952
  185   2HB   ASN  25          1HB       ASN  25  -4.749 -13.661   2.716
  186   1HD2  ASN  25          1HD2      ASN  25  -3.228 -13.716   1.191
  187   2HD2  ASN  25          2HD2      ASN  25  -1.968 -14.889   1.096
  188    H    ASN  26           H        ASN  26  -1.964 -11.933   3.171
  189    HA   ASN  26           HA       ASN  26   0.220 -12.736   4.990
  190   1HB   ASN  26          2HB       ASN  26   0.189 -13.385   2.433
  191   2HB   ASN  26          1HB       ASN  26   0.746 -11.729   2.218
  192   1HD2  ASN  26          1HD2      ASN  26   1.449 -14.302   4.577
  193   2HD2  ASN  26          2HD2      ASN  26   3.169 -14.222   4.392
  194    H    ARG  27           H        ARG  27  -1.724 -10.262   4.126
  195    HA   ARG  27           HA       ARG  27  -1.733  -8.014   4.233
  196   1HB   ARG  27          2HB       ARG  27  -0.045  -8.520   6.670
  197   2HB   ARG  27          1HB       ARG  27  -1.074  -7.123   6.361
  198   1HG   ARG  27          2HG       ARG  27  -3.042  -8.565   6.367
  199   2HG   ARG  27          1HG       ARG  27  -2.016  -9.963   6.693
  200   1HD   ARG  27          2HD       ARG  27  -2.300  -7.542   8.467
  201   2HD   ARG  27          1HD       ARG  27  -3.076  -9.104   8.732
  202    HE   ARG  27           HE       ARG  27  -0.430  -9.709   8.544
  203   1HH1  ARG  27          2HH1      ARG  27  -2.308  -7.517  10.518
  204   2HH1  ARG  27          1HH1      ARG  27  -1.220  -7.585  11.870
  205   1HH2  ARG  27          2HH2      ARG  27   1.024  -9.790  10.294
  206   2HH2  ARG  27          1HH2      ARG  27   0.675  -8.899  11.749
  207    H    SER  28           H        SER  28  -0.455  -7.850   2.288
  208    HA   SER  28           HA       SER  28   2.052  -6.401   2.794
  209   1HB   SER  28          2HB       SER  28   1.428  -7.099   0.005
  210   2HB   SER  28          1HB       SER  28   2.925  -7.322   0.912
  211    HG   SER  28           HG       SER  28   2.389  -9.342   1.023
  212    H    THR  29           H        THR  29   2.111  -4.245   2.273
  213    HA   THR  29           HA       THR  29  -0.378  -3.110   1.183
  214    HB   THR  29           HB       THR  29   0.891  -0.993   2.334
  215    HG1  THR  29           1HG      THR  29   1.311  -3.166   4.139
  216   1HG2  THR  29          1HG2      THR  29  -1.478  -2.153   2.621
  217   2HG2  THR  29          2HG2      THR  29  -0.874  -0.975   3.785
  218   3HG2  THR  29          3HG2      THR  29  -0.750  -2.700   4.131
  219    H    GLN  30           H        GLN  30   0.617  -3.595  -0.962
  220    HA   GLN  30           HA       GLN  30   2.706  -1.651  -1.705
  221   1HB   GLN  30          2HB       GLN  30   2.863  -3.181  -3.804
  222   2HB   GLN  30          1HB       GLN  30   3.595  -3.713  -2.298
  223   1HG   GLN  30          2HG       GLN  30   2.458  -5.599  -2.498
  224   2HG   GLN  30          1HG       GLN  30   0.991  -4.673  -2.219
  225   1HE2  GLN  30          1HE2      GLN  30   2.899  -6.333  -4.497
  226   2HE2  GLN  30          2HE2      GLN  30   1.808  -6.216  -5.831
  227    H    TRP  31           H        TRP  31   2.397  -0.257  -3.447
  228    HA   TRP  31           HA       TRP  31  -0.333  -0.220  -4.534
  229   1HB   TRP  31          2HB       TRP  31   1.025   2.161  -5.274
  230   2HB   TRP  31          1HB       TRP  31  -0.343   1.982  -4.195
  231    HD1  TRP  31           HD       TRP  31   3.473   1.430  -3.744
  232    HE1  TRP  31           1HE      TRP  31   4.184   2.578  -1.555
  233    HE3  TRP  31           3HE      TRP  31  -1.043   3.349  -2.353
  234    HZ2  TRP  31           2HZ      TRP  31   2.981   4.112   0.481
  235    HZ3  TRP  31           3HZ      TRP  31  -1.173   4.654  -0.280
  236    HH2  TRP  31           HH       TRP  31   0.794   5.030   1.103
  237    H    HIS  32           H        HIS  32   1.789  -1.971  -5.556
  238    HA   HIS  32           HA       HIS  32   1.881  -0.803  -8.266
  239   1HB   HIS  32          2HB       HIS  32   3.936  -2.227  -8.677
  240   2HB   HIS  32          1HB       HIS  32   4.151  -0.840  -7.621
  241    HD1  HIS  32           1HD      HIS  32   3.671  -4.611  -7.353
  242    HD2  HIS  32           2HD      HIS  32   5.337  -1.420  -5.268
  243    HE1  HIS  32           1HE      HIS  32   4.836  -5.625  -5.364
  244    HE2  HIS  32           2HE      HIS  32   5.846  -3.679  -4.123
  245    H    ARG  33           H        ARG  33   0.440  -3.057  -6.454
  246    HA   ARG  33           HA       ARG  33  -0.800  -4.906  -6.861
  247   1HB   ARG  33          2HB       ARG  33  -1.610  -3.661  -8.834
  248   2HB   ARG  33          1HB       ARG  33  -0.268  -4.293  -9.780
  249   1HG   ARG  33          2HG       ARG  33  -1.316  -6.602  -8.919
  250   2HG   ARG  33          1HG       ARG  33  -2.770  -5.602  -8.922
  251   1HD   ARG  33          2HD       ARG  33  -2.926  -5.781 -11.121
  252   2HD   ARG  33          1HD       ARG  33  -1.310  -5.105 -11.318
  253    HE   ARG  33           HE       ARG  33  -0.880  -7.723 -10.655
  254   1HH1  ARG  33          2HH1      ARG  33  -2.709  -6.081 -13.139
  255   2HH1  ARG  33          1HH1      ARG  33  -2.477  -7.331 -14.327
  256   1HH2  ARG  33          2HH2      ARG  33  -0.583  -9.403 -12.193
  257   2HH2  ARG  33          1HH2      ARG  33  -1.261  -9.231 -13.786
  258    HA   PRO  34           HA       PRO  34   2.183  -8.238  -7.270
  259   1HB   PRO  34          2HB       PRO  34  -0.213  -9.917  -7.709
  260   2HB   PRO  34          1HB       PRO  34   1.052 -10.069  -6.490
  261   1HG   PRO  34          2HG       PRO  34  -1.406  -9.223  -5.855
  262   2HG   PRO  34          1HG       PRO  34   0.039  -8.569  -5.060
  263   1HD   PRO  34          2HD       PRO  34  -1.654  -7.367  -7.212
  264   2HD   PRO  34          1HD       PRO  34  -0.886  -6.588  -5.813
  265    H    SER  35           H        SER  35   3.091  -7.727  -9.253
  266    HA   SER  35           HA       SER  35   1.629  -8.694 -11.623
  267   1HB   SER  35          2HB       SER  35   3.601  -6.465 -11.888
  268   2HB   SER  35          1HB       SER  35   2.159  -6.811 -12.841
  269    HG   SER  35           HG       SER  35   2.062  -5.953 -10.135
  270    H    LEU  36           H        LEU  36   2.615 -10.621 -11.851
  271    HA   LEU  36           HA       LEU  36   5.524 -10.585 -12.298
  272   1HB   LEU  36          2HB       LEU  36   4.059 -12.230 -10.629
  273   2HB   LEU  36          1HB       LEU  36   4.268 -13.212 -12.065
  274    HG   LEU  36           HG       LEU  36   6.746 -11.930 -11.199
  275   1HD1  LEU  36          1HD1      LEU  36   5.331 -12.526  -9.057
  276   2HD1  LEU  36          2HD1      LEU  36   5.883 -14.158  -9.433
  277   3HD1  LEU  36          3HD1      LEU  36   7.058 -12.875  -9.146
  278   1HD2  LEU  36          1HD2      LEU  36   7.106 -14.638 -11.197
  279   2HD2  LEU  36          2HD2      LEU  36   5.782 -14.436 -12.346
  280   3HD2  LEU  36          3HD2      LEU  36   7.304 -13.583 -12.598
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1 -13.400  -5.326 -10.310
    2   2H    GLY   1          2H        GLY   1 -12.521  -4.436 -11.454
    3   3H    GLY   1          3H        GLY   1 -11.740  -5.615 -10.518
    4   1HA   GLY   1          2HA       GLY   1 -12.969  -7.368 -11.566
    5   2HA   GLY   1          1HA       GLY   1 -13.902  -6.184 -12.468
    6    H    SER   2           H        SER   2 -12.158  -4.478 -13.491
    7    HA   SER   2           HA       SER   2 -11.071  -5.880 -15.652
    8   1HB   SER   2          2HB       SER   2  -9.894  -3.254 -15.348
    9   2HB   SER   2          1HB       SER   2 -11.043  -3.833 -16.555
   10    HG   SER   2           HG       SER   2 -12.004  -2.189 -15.356
   11    HA   PRO   3           HA       PRO   3  -6.673  -5.213 -13.787
   12   1HB   PRO   3          2HB       PRO   3  -7.078  -4.550 -10.962
   13   2HB   PRO   3          1HB       PRO   3  -6.073  -3.739 -12.167
   14   1HG   PRO   3          2HG       PRO   3  -8.316  -2.612 -11.202
   15   2HG   PRO   3          1HG       PRO   3  -7.785  -2.374 -12.878
   16   1HD   PRO   3          2HD       PRO   3  -9.889  -4.229 -11.806
   17   2HD   PRO   3          1HD       PRO   3  -9.939  -3.179 -13.239
   18    HA   PRO   4           HA       PRO   4  -7.077  -9.342 -12.192
   19   1HB   PRO   4          2HB       PRO   4  -4.442 -10.010 -12.236
   20   2HB   PRO   4          1HB       PRO   4  -5.439  -9.938 -13.693
   21   1HG   PRO   4          2HG       PRO   4  -3.503  -7.926 -12.619
   22   2HG   PRO   4          1HG       PRO   4  -3.768  -8.442 -14.294
   23   1HD   PRO   4          2HD       PRO   4  -4.774  -6.134 -13.279
   24   2HD   PRO   4          1HD       PRO   4  -5.577  -7.054 -14.567
   25    H    LEU   5           H        LEU   5  -7.407  -9.833 -10.113
   26    HA   LEU   5           HA       LEU   5  -5.389  -9.039  -8.147
   27   1HB   LEU   5          2HB       LEU   5  -7.731  -7.697  -8.342
   28   2HB   LEU   5          1HB       LEU   5  -8.189  -8.972  -7.228
   29    HG   LEU   5           HG       LEU   5  -6.436  -8.303  -5.682
   30   1HD1  LEU   5          1HD1      LEU   5  -4.617  -7.401  -6.612
   31   2HD1  LEU   5          2HD1      LEU   5  -5.513  -6.792  -8.003
   32   3HD1  LEU   5          3HD1      LEU   5  -5.492  -5.874  -6.496
   33   1HD2  LEU   5          1HD2      LEU   5  -7.592  -5.662  -6.234
   34   2HD2  LEU   5          2HD2      LEU   5  -8.758  -6.982  -6.130
   35   3HD2  LEU   5          3HD2      LEU   5  -7.670  -6.660  -4.782
   36    HA   PRO   6           HA       PRO   6  -5.891 -13.382  -7.141
   37   1HB   PRO   6          2HB       PRO   6  -3.864 -12.713  -5.113
   38   2HB   PRO   6          1HB       PRO   6  -3.790 -13.894  -6.421
   39   1HG   PRO   6          2HG       PRO   6  -2.347 -11.638  -6.490
   40   2HG   PRO   6          1HG       PRO   6  -3.046 -12.341  -7.963
   41   1HD   PRO   6          2HD       PRO   6  -4.033 -10.043  -6.306
   42   2HD   PRO   6          1HD       PRO   6  -3.938 -10.195  -8.074
   43    HA   PRO   7           HA       PRO   7  -8.471 -13.275  -3.570
   44   1HB   PRO   7          2HB       PRO   7  -7.826 -15.625  -2.326
   45   2HB   PRO   7          1HB       PRO   7  -8.857 -15.516  -3.755
   46   1HG   PRO   7          2HG       PRO   7  -5.962 -16.225  -3.555
   47   2HG   PRO   7          1HG       PRO   7  -7.221 -16.924  -4.589
   48   1HD   PRO   7          2HD       PRO   7  -5.399 -15.147  -5.508
   49   2HD   PRO   7          1HD       PRO   7  -7.050 -15.236  -6.147
   50    H    GLY   8           H        GLY   8  -8.382 -12.289  -1.650
   51   1HA   GLY   8          1HA       GLY   8  -7.533 -12.070   0.588
   52   2HA   GLY   8          2HA       GLY   8  -5.961 -12.615   0.004
   53    H    TRP   9           H        TRP   9  -6.838 -10.648  -2.359
   54    HA   TRP   9           HA       TRP   9  -5.385  -8.402  -1.168
   55   1HB   TRP   9          2HB       TRP   9  -5.962  -9.197  -4.019
   56   2HB   TRP   9          1HB       TRP   9  -5.232  -7.654  -3.591
   57    HD1  TRP   9           HD       TRP   9  -4.432 -11.343  -3.938
   58    HE1  TRP   9           1HE      TRP   9  -1.894 -11.687  -3.612
   59    HE3  TRP   9           3HE      TRP   9  -3.206  -6.670  -2.301
   60    HZ2  TRP   9           2HZ      TRP   9   0.331 -10.147  -2.758
   61    HZ3  TRP   9           3HZ      TRP   9  -0.872  -6.190  -1.747
   62    HH2  TRP   9           HH       TRP   9   0.867  -7.884  -1.968
   63    H    GLU  10           H        GLU  10  -6.322  -6.523  -0.695
   64    HA   GLU  10           HA       GLU  10  -9.033  -6.020  -1.750
   65   1HB   GLU  10          2HB       GLU  10  -8.731  -6.432   0.765
   66   2HB   GLU  10          1HB       GLU  10  -7.893  -4.890   0.804
   67   1HG   GLU  10          2HG       GLU  10 -10.370  -4.938   1.420
   68   2HG   GLU  10          1HG       GLU  10  -9.802  -3.680   0.328
   69    H    GLU  11           H        GLU  11  -9.518  -3.933  -2.465
   70    HA   GLU  11           HA       GLU  11  -7.191  -2.360  -3.254
   71   1HB   GLU  11          2HB       GLU  11  -9.218  -3.005  -4.761
   72   2HB   GLU  11          1HB       GLU  11 -10.030  -1.673  -3.948
   73   1HG   GLU  11          2HG       GLU  11  -8.592  -0.080  -4.852
   74   2HG   GLU  11          1HG       GLU  11  -7.361  -1.278  -5.249
   75    H    LYS  12           H        LYS  12  -6.500  -0.810  -1.937
   76    HA   LYS  12           HA       LYS  12  -8.494   0.749  -0.441
   77   1HB   LYS  12          2HB       LYS  12  -6.108  -0.707   0.621
   78   2HB   LYS  12          1HB       LYS  12  -6.567   0.818   1.363
   79   1HG   LYS  12          2HG       LYS  12  -8.935  -0.634   1.169
   80   2HG   LYS  12          1HG       LYS  12  -7.712  -1.797   1.681
   81   1HD   LYS  12          2HD       LYS  12  -8.141   0.876   3.001
   82   2HD   LYS  12          1HD       LYS  12  -8.886  -0.625   3.552
   83   1HE   LYS  12          2HE       LYS  12  -6.910  -1.482   4.317
   84   2HE   LYS  12          1HE       LYS  12  -5.940  -0.562   3.167
   85   1HZ   LYS  12          1HZ       LYS  12  -6.683   1.457   4.513
   86   2HZ   LYS  12          2HZ       LYS  12  -5.516   0.440   5.208
   87   3HZ   LYS  12          3HZ       LYS  12  -7.129   0.350   5.715
   88    H    VAL  13           H        VAL  13  -7.902   2.909  -0.013
   89    HA   VAL  13           HA       VAL  13  -5.604   3.821  -1.612
   90    HB   VAL  13           HB       VAL  13  -8.340   4.627  -1.731
   91   1HG1  VAL  13          1HG1      VAL  13  -6.574   6.989  -1.197
   92   2HG1  VAL  13          2HG1      VAL  13  -8.326   6.949  -1.403
   93   3HG1  VAL  13          3HG1      VAL  13  -7.593   6.269   0.050
   94   1HG2  VAL  13          1HG2      VAL  13  -6.628   4.298  -3.559
   95   2HG2  VAL  13          2HG2      VAL  13  -7.689   5.697  -3.715
   96   3HG2  VAL  13          3HG2      VAL  13  -6.034   5.909  -3.152
   97    H    ASP  14           H        ASP  14  -4.092   5.070  -0.646
   98    HA   ASP  14           HA       ASP  14  -4.251   5.423   2.199
   99   1HB   ASP  14          2HB       ASP  14  -2.015   5.625   2.103
  100   2HB   ASP  14          1HB       ASP  14  -2.168   5.163   0.415
  101    H    ASN  15           H        ASN  15  -3.884   7.628   3.193
  102    HA   ASN  15           HA       ASN  15  -6.103   9.190   2.335
  103   1HB   ASN  15          2HB       ASN  15  -5.855  10.418   4.329
  104   2HB   ASN  15          1HB       ASN  15  -5.379   8.775   4.732
  105   1HD2  ASN  15          1HD2      ASN  15  -4.555  11.984   4.944
  106   2HD2  ASN  15          2HD2      ASN  15  -2.883  11.797   5.365
  107    H    LEU  16           H        LEU  16  -3.021   9.206   1.158
  108    HA   LEU  16           HA       LEU  16  -3.051  12.089   0.636
  109   1HB   LEU  16          2HB       LEU  16  -0.945   9.986   0.564
  110   2HB   LEU  16          1HB       LEU  16  -0.772  11.364  -0.506
  111    HG   LEU  16           HG       LEU  16  -1.376  12.034   2.300
  112   1HD1  LEU  16          1HD1      LEU  16   1.464  11.448   1.902
  113   2HD1  LEU  16          2HD1      LEU  16   0.436  11.204   3.315
  114   3HD1  LEU  16          3HD1      LEU  16   0.428  10.024   2.004
  115   1HD2  LEU  16          1HD2      LEU  16  -0.850  13.628   0.416
  116   2HD2  LEU  16          2HD2      LEU  16   0.095  13.831   1.892
  117   3HD2  LEU  16          3HD2      LEU  16   0.807  13.029   0.491
  118    H    GLY  17           H        GLY  17  -3.774   9.072  -0.805
  119   1HA   GLY  17          1HA       GLY  17  -5.314   9.259  -2.699
  120   2HA   GLY  17          2HA       GLY  17  -4.264  10.511  -3.340
  121    H    ARG  18           H        ARG  18  -3.009   7.529  -1.953
  122    HA   ARG  18           HA       ARG  18  -2.280   6.703  -4.689
  123   1HB   ARG  18          2HB       ARG  18  -0.790   5.547  -2.381
  124   2HB   ARG  18          1HB       ARG  18  -0.227   5.964  -3.989
  125   1HG   ARG  18          2HG       ARG  18  -0.113   8.285  -3.431
  126   2HG   ARG  18          1HG       ARG  18  -0.875   7.992  -1.867
  127   1HD   ARG  18          2HD       ARG  18   1.391   6.288  -2.109
  128   2HD   ARG  18          1HD       ARG  18   1.875   7.928  -2.536
  129    HE   ARG  18           HE       ARG  18   0.336   7.646  -0.085
  130   1HH1  ARG  18          2HH1      ARG  18   3.508   7.940  -1.571
  131   2HH1  ARG  18          1HH1      ARG  18   4.272   8.456  -0.094
  132   1HH2  ARG  18          2HH2      ARG  18   1.372   8.268   1.839
  133   2HH2  ARG  18          1HH2      ARG  18   3.072   8.631   1.827
  134    H    THR  19           H        THR  19  -3.582   5.180  -5.378
  135    HA   THR  19           HA       THR  19  -5.039   3.424  -3.682
  136    HB   THR  19           HB       THR  19  -4.681   2.671  -6.521
  137    HG1  THR  19           1HG      THR  19  -5.923   4.495  -7.211
  138   1HG2  THR  19          1HG2      THR  19  -6.425   1.861  -4.765
  139   2HG2  THR  19          2HG2      THR  19  -6.951   2.182  -6.418
  140   3HG2  THR  19          3HG2      THR  19  -7.252   3.370  -5.151
  141    H    TYR  20           H        TYR  20  -4.091   1.829  -2.594
  142    HA   TYR  20           HA       TYR  20  -2.075   0.231  -4.007
  143   1HB   TYR  20          2HB       TYR  20  -1.108  -0.351  -1.839
  144   2HB   TYR  20          1HB       TYR  20  -1.101   1.388  -2.082
  145    HD1  TYR  20           1HD      TYR  20  -2.382  -1.366  -0.079
  146    HD2  TYR  20           2HD      TYR  20  -2.635   2.827  -0.776
  147    HE1  TYR  20           1HE      TYR  20  -3.500  -1.071   2.089
  148    HE2  TYR  20           2HE      TYR  20  -3.751   3.124   1.388
  149    HH   TYR  20           HH       TYR  20  -4.457   2.164   3.242
  150    H    TYR  21           H        TYR  21  -1.921  -2.023  -2.874
  151    HA   TYR  21           HA       TYR  21  -4.659  -3.014  -2.514
  152   1HB   TYR  21          2HB       TYR  21  -2.376  -4.318  -4.010
  153   2HB   TYR  21          1HB       TYR  21  -3.883  -5.137  -3.603
  154    HD1  TYR  21           1HD      TYR  21  -2.252  -2.858  -5.889
  155    HD2  TYR  21           2HD      TYR  21  -6.033  -4.288  -4.560
  156    HE1  TYR  21           1HE      TYR  21  -3.304  -1.941  -7.912
  157    HE2  TYR  21           2HE      TYR  21  -7.093  -3.382  -6.585
  158    HH   TYR  21           HH       TYR  21  -6.695  -1.667  -8.265
  159    H    VAL  22           H        VAL  22  -5.001  -3.969  -0.671
  160    HA   VAL  22           HA       VAL  22  -2.680  -4.599   1.012
  161    HB   VAL  22           HB       VAL  22  -3.975  -2.886   2.016
  162   1HG1  VAL  22          1HG1      VAL  22  -6.514  -3.948   2.511
  163   2HG1  VAL  22          2HG1      VAL  22  -6.096  -2.591   1.467
  164   3HG1  VAL  22          3HG1      VAL  22  -6.188  -4.222   0.800
  165   1HG2  VAL  22          1HG2      VAL  22  -4.622  -5.526   3.301
  166   2HG2  VAL  22          2HG2      VAL  22  -3.246  -4.476   3.643
  167   3HG2  VAL  22          3HG2      VAL  22  -4.878  -3.960   4.073
  168    H    ASN  23           H        ASN  23  -2.246  -6.680   1.169
  169    HA   ASN  23           HA       ASN  23  -4.200  -8.700   0.646
  170   1HB   ASN  23          2HB       ASN  23  -1.642  -8.865   0.327
  171   2HB   ASN  23          1HB       ASN  23  -1.588  -9.201   2.055
  172   1HD2  ASN  23          1HD2      ASN  23  -1.963 -10.524  -0.998
  173   2HD2  ASN  23          2HD2      ASN  23  -2.519 -12.098  -0.533
  174    H    HIS  24           H        HIS  24  -5.161 -10.120   2.148
  175    HA   HIS  24           HA       HIS  24  -5.428  -8.984   4.830
  176   1HB   HIS  24          2HB       HIS  24  -7.014 -11.014   3.270
  177   2HB   HIS  24          1HB       HIS  24  -7.263 -10.778   4.995
  178    HD1  HIS  24           1HD      HIS  24  -9.739 -10.133   3.984
  179    HD2  HIS  24           2HD      HIS  24  -6.637  -7.423   3.364
  180    HE1  HIS  24           1HE      HIS  24 -10.851  -7.946   3.441
  181    HE2  HIS  24           2HE      HIS  24  -8.968  -6.283   3.336
  182    H    ASN  25           H        ASN  25  -4.319 -11.837   3.187
  183    HA   ASN  25           HA       ASN  25  -3.918 -13.320   5.640
  184   1HB   ASN  25          2HB       ASN  25  -4.154 -15.089   4.301
  185   2HB   ASN  25          1HB       ASN  25  -4.427 -13.979   2.967
  186   1HD2  ASN  25          1HD2      ASN  25  -2.986 -13.839   1.389
  187   2HD2  ASN  25          2HD2      ASN  25  -1.512 -14.729   1.317
  188    H    ASN  26           H        ASN  26  -1.988 -11.548   3.307
  189    HA   ASN  26           HA       ASN  26   0.407 -12.167   4.918
  190   1HB   ASN  26          2HB       ASN  26  -0.031 -11.932   2.043
  191   2HB   ASN  26          1HB       ASN  26   1.306 -10.931   2.601
  192   1HD2  ASN  26          1HD2      ASN  26   0.450 -13.854   4.266
  193   2HD2  ASN  26          2HD2      ASN  26   1.827 -14.779   3.768
  194    H    ARG  27           H        ARG  27  -1.821  -9.800   4.129
  195    HA   ARG  27           HA       ARG  27  -2.041  -7.582   4.442
  196   1HB   ARG  27          2HB       ARG  27  -0.009  -7.789   6.642
  197   2HB   ARG  27          1HB       ARG  27  -1.412  -6.731   6.518
  198   1HG   ARG  27          2HG       ARG  27  -2.685  -9.059   6.489
  199   2HG   ARG  27          1HG       ARG  27  -1.244  -9.556   7.381
  200   1HD   ARG  27          2HD       ARG  27  -3.350  -8.589   8.628
  201   2HD   ARG  27          1HD       ARG  27  -1.717  -8.200   9.166
  202    HE   ARG  27           HE       ARG  27  -1.957  -6.069   7.966
  203   1HH1  ARG  27          2HH1      ARG  27  -4.839  -7.856   8.842
  204   2HH1  ARG  27          1HH1      ARG  27  -5.874  -6.457   8.768
  205   1HH2  ARG  27          2HH2      ARG  27  -3.315  -4.239   7.860
  206   2HH2  ARG  27          1HH2      ARG  27  -5.021  -4.411   8.152
  207    H    SER  28           H        SER  28  -0.031  -8.288   2.505
  208    HA   SER  28           HA       SER  28   2.020  -6.300   2.678
  209   1HB   SER  28          2HB       SER  28   1.373  -7.139  -0.021
  210   2HB   SER  28          1HB       SER  28   2.837  -7.443   0.917
  211    HG   SER  28           HG       SER  28   2.140  -9.376   1.375
  212    H    THR  29           H        THR  29   1.945  -4.214   1.991
  213    HA   THR  29           HA       THR  29  -0.594  -3.290   0.792
  214    HB   THR  29           HB       THR  29   0.137  -1.077   2.047
  215    HG1  THR  29           1HG      THR  29   2.028  -1.772   2.990
  216   1HG2  THR  29          1HG2      THR  29  -0.975  -2.415   4.179
  217   2HG2  THR  29          2HG2      THR  29  -1.498  -3.376   2.795
  218   3HG2  THR  29          3HG2      THR  29  -1.874  -1.654   2.868
  219    H    GLN  30           H        GLN  30   0.648  -3.645  -1.254
  220    HA   GLN  30           HA       GLN  30   2.672  -1.565  -1.722
  221   1HB   GLN  30          2HB       GLN  30   3.315  -2.950  -3.714
  222   2HB   GLN  30          1HB       GLN  30   3.613  -3.695  -2.153
  223   1HG   GLN  30          2HG       GLN  30   1.645  -5.089  -2.421
  224   2HG   GLN  30          1HG       GLN  30   1.266  -4.295  -3.943
  225   1HE2  GLN  30          1HE2      GLN  30   1.566  -5.773  -5.424
  226   2HE2  GLN  30          2HE2      GLN  30   2.980  -6.739  -5.605
  227    H    TRP  31           H        TRP  31   2.433  -0.063  -3.314
  228    HA   TRP  31           HA       TRP  31  -0.229   0.088  -4.495
  229   1HB   TRP  31          2HB       TRP  31   1.275   2.412  -5.141
  230   2HB   TRP  31          1HB       TRP  31  -0.109   2.270  -4.071
  231    HD1  TRP  31           HD       TRP  31   3.708   1.593  -3.728
  232    HE1  TRP  31           1HE      TRP  31   4.477   2.531  -1.455
  233    HE3  TRP  31           3HE      TRP  31  -0.781   3.326  -2.034
  234    HZ2  TRP  31           2HZ      TRP  31   3.314   3.843   0.758
  235    HZ3  TRP  31           3HZ      TRP  31  -0.869   4.419   0.166
  236    HH2  TRP  31           HH       TRP  31   1.135   4.674   1.529
  237    H    HIS  32           H        HIS  32   2.030  -1.620  -5.595
  238    HA   HIS  32           HA       HIS  32   1.925  -0.455  -8.297
  239   1HB   HIS  32          2HB       HIS  32   3.824  -2.286  -8.692
  240   2HB   HIS  32          1HB       HIS  32   4.187  -0.655  -8.156
  241    HD1  HIS  32           1HD      HIS  32   4.471  -4.203  -7.190
  242    HD2  HIS  32           2HD      HIS  32   4.908  -0.470  -5.396
  243    HE1  HIS  32           1HE      HIS  32   5.710  -4.618  -5.044
  244    HE2  HIS  32           2HE      HIS  32   5.850  -2.363  -3.911
  245    H    ARG  33           H        ARG  33   0.279  -2.447  -6.534
  246    HA   ARG  33           HA       ARG  33  -1.169  -4.149  -6.906
  247   1HB   ARG  33          2HB       ARG  33  -1.468  -2.853  -9.102
  248   2HB   ARG  33          1HB       ARG  33  -0.448  -4.087  -9.830
  249   1HG   ARG  33          2HG       ARG  33  -2.029  -5.761  -9.510
  250   2HG   ARG  33          1HG       ARG  33  -2.881  -4.850  -8.266
  251   1HD   ARG  33          2HD       ARG  33  -3.769  -5.070 -10.784
  252   2HD   ARG  33          1HD       ARG  33  -4.090  -3.671  -9.766
  253    HE   ARG  33           HE       ARG  33  -1.953  -3.788 -11.798
  254   1HH1  ARG  33          2HH1      ARG  33  -4.398  -2.018  -9.988
  255   2HH1  ARG  33          1HH1      ARG  33  -4.086  -0.513 -10.805
  256   1HH2  ARG  33          2HH2      ARG  33  -1.561  -1.806 -12.870
  257   2HH2  ARG  33          1HH2      ARG  33  -2.467  -0.391 -12.421
  258    HA   PRO  34           HA       PRO  34   1.524  -7.698  -6.627
  259   1HB   PRO  34          2HB       PRO  34  -0.519  -9.549  -6.481
  260   2HB   PRO  34          1HB       PRO  34   0.139  -8.663  -5.105
  261   1HG   PRO  34          2HG       PRO  34  -2.339  -8.154  -6.672
  262   2HG   PRO  34          1HG       PRO  34  -2.044  -7.956  -4.941
  263   1HD   PRO  34          2HD       PRO  34  -2.124  -5.868  -6.654
  264   2HD   PRO  34          1HD       PRO  34  -1.091  -5.883  -5.210
  265    H    SER  35           H        SER  35   2.260  -7.462  -8.815
  266    HA   SER  35           HA       SER  35   0.903  -9.281 -10.676
  267   1HB   SER  35          2HB       SER  35   2.439  -7.044 -11.859
  268   2HB   SER  35          1HB       SER  35   0.904  -7.753 -12.368
  269    HG   SER  35           HG       SER  35   1.198  -6.104 -10.070
  270    H    LEU  36           H        LEU  36   3.366  -9.220  -8.794
  271    HA   LEU  36           HA       LEU  36   5.034 -10.828 -10.500
  272   1HB   LEU  36          2HB       LEU  36   5.725  -8.050  -9.872
  273   2HB   LEU  36          1HB       LEU  36   6.982  -9.195  -9.443
  274    HG   LEU  36           HG       LEU  36   5.793  -8.739 -12.180
  275   1HD1  LEU  36          1HD1      LEU  36   8.214  -7.855 -10.780
  276   2HD1  LEU  36          2HD1      LEU  36   8.487  -8.496 -12.399
  277   3HD1  LEU  36          3HD1      LEU  36   7.375  -7.149 -12.160
  278   1HD2  LEU  36          1HD2      LEU  36   6.171 -10.987 -12.323
  279   2HD2  LEU  36          2HD2      LEU  36   7.781 -10.388 -12.720
  280   3HD2  LEU  36          3HD2      LEU  36   7.432 -10.968 -11.092
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  -9.923 -18.278 -12.894
    2   2H    GLY   1          2H        GLY   1 -11.543 -18.486 -12.434
    3   3H    GLY   1          3H        GLY   1 -10.300 -19.020 -11.416
    4   1HA   GLY   1          2HA       GLY   1 -11.089 -17.028 -10.480
    5   2HA   GLY   1          1HA       GLY   1  -9.541 -16.669 -11.235
    6    H    SER   2           H        SER   2 -12.585 -15.544 -10.841
    7    HA   SER   2           HA       SER   2 -13.066 -14.565 -13.490
    8   1HB   SER   2          2HB       SER   2 -14.525 -13.166 -11.401
    9   2HB   SER   2          1HB       SER   2 -15.133 -14.183 -12.710
   10    HG   SER   2           HG       SER   2 -14.925 -15.965 -11.451
   11    HA   PRO   3           HA       PRO   3 -11.717 -10.332 -11.815
   12   1HB   PRO   3          2HB       PRO   3 -10.826  -9.987  -9.305
   13   2HB   PRO   3          1HB       PRO   3 -12.555 -10.043  -9.674
   14   1HG   PRO   3          2HG       PRO   3 -10.788 -12.172  -8.544
   15   2HG   PRO   3          1HG       PRO   3 -12.447 -11.737  -8.093
   16   1HD   PRO   3          2HD       PRO   3 -11.780 -13.843  -9.735
   17   2HD   PRO   3          1HD       PRO   3 -13.353 -13.025  -9.748
   18    HA   PRO   4           HA       PRO   4  -7.407 -11.094 -12.762
   19   1HB   PRO   4          2HB       PRO   4  -7.214  -8.145 -12.739
   20   2HB   PRO   4          1HB       PRO   4  -6.859  -9.280 -14.045
   21   1HG   PRO   4          2HG       PRO   4  -9.030  -7.717 -14.116
   22   2HG   PRO   4          1HG       PRO   4  -9.062  -9.375 -14.742
   23   1HD   PRO   4          2HD       PRO   4 -10.103  -8.308 -12.144
   24   2HD   PRO   4          1HD       PRO   4 -10.827  -9.503 -13.242
   25    H    LEU   5           H        LEU   5  -8.604  -8.992 -10.263
   26    HA   LEU   5           HA       LEU   5  -6.106  -9.065  -8.785
   27   1HB   LEU   5          2HB       LEU   5  -7.820  -7.108  -8.891
   28   2HB   LEU   5          1HB       LEU   5  -8.731  -8.058  -7.733
   29    HG   LEU   5           HG       LEU   5  -6.526  -8.058  -6.357
   30   1HD1  LEU   5          1HD1      LEU   5  -4.828  -7.043  -7.395
   31   2HD1  LEU   5          2HD1      LEU   5  -5.893  -6.269  -8.569
   32   3HD1  LEU   5          3HD1      LEU   5  -5.645  -5.533  -6.985
   33   1HD2  LEU   5          1HD2      LEU   5  -7.541  -6.533  -5.055
   34   2HD2  LEU   5          2HD2      LEU   5  -7.618  -5.334  -6.346
   35   3HD2  LEU   5          3HD2      LEU   5  -8.828  -6.616  -6.258
   36    HA   PRO   6           HA       PRO   6  -7.328 -13.029  -7.135
   37   1HB   PRO   6          2HB       PRO   6  -5.110 -12.519  -5.242
   38   2HB   PRO   6          1HB       PRO   6  -5.351 -13.867  -6.354
   39   1HG   PRO   6          2HG       PRO   6  -3.508 -11.989  -6.834
   40   2HG   PRO   6          1HG       PRO   6  -4.443 -12.725  -8.149
   41   1HD   PRO   6          2HD       PRO   6  -4.785 -10.054  -6.842
   42   2HD   PRO   6          1HD       PRO   6  -4.920 -10.497  -8.557
   43    HA   PRO   7           HA       PRO   7  -9.857 -12.023  -3.657
   44   1HB   PRO   7          2HB       PRO   7  -9.429 -14.807  -2.754
   45   2HB   PRO   7          1HB       PRO   7 -10.929 -13.980  -3.185
   46   1HG   PRO   7          2HG       PRO   7  -9.862 -15.830  -4.794
   47   2HG   PRO   7          1HG       PRO   7 -10.661 -14.388  -5.451
   48   1HD   PRO   7          2HD       PRO   7  -7.737 -14.962  -5.144
   49   2HD   PRO   7          1HD       PRO   7  -8.595 -14.198  -6.497
   50    H    GLY   8           H        GLY   8  -9.443 -11.117  -1.747
   51   1HA   GLY   8          1HA       GLY   8  -8.502 -11.271   0.500
   52   2HA   GLY   8          2HA       GLY   8  -7.116 -12.098  -0.209
   53    H    TRP   9           H        TRP   9  -7.245 -10.185  -2.517
   54    HA   TRP   9           HA       TRP   9  -5.611  -8.103  -1.364
   55   1HB   TRP   9          2HB       TRP   9  -6.468  -8.759  -4.184
   56   2HB   TRP   9          1HB       TRP   9  -5.540  -7.315  -3.794
   57    HD1  TRP   9           HD       TRP   9  -5.192 -11.065  -4.220
   58    HE1  TRP   9           1HE      TRP   9  -2.691 -11.698  -4.099
   59    HE3  TRP   9           3HE      TRP   9  -3.311  -6.577  -2.680
   60    HZ2  TRP   9           2HZ      TRP   9  -0.254 -10.441  -3.421
   61    HZ3  TRP   9           3HZ      TRP   9  -0.895  -6.378  -2.307
   62    HH2  TRP   9           HH       TRP   9   0.607  -8.267  -2.675
   63    H    GLU  10           H        GLU  10  -6.475  -6.350  -0.499
   64    HA   GLU  10           HA       GLU  10  -9.164  -5.542  -1.342
   65   1HB   GLU  10          2HB       GLU  10  -8.036  -5.871   1.167
   66   2HB   GLU  10          1HB       GLU  10  -8.052  -4.127   0.943
   67   1HG   GLU  10          2HG       GLU  10 -10.437  -4.204   0.466
   68   2HG   GLU  10          1HG       GLU  10 -10.429  -5.953   0.681
   69    H    GLU  11           H        GLU  11  -9.601  -3.582  -2.156
   70    HA   GLU  11           HA       GLU  11  -7.365  -1.960  -3.053
   71   1HB   GLU  11          2HB       GLU  11  -9.631  -2.687  -4.302
   72   2HB   GLU  11          1HB       GLU  11 -10.172  -1.166  -3.609
   73   1HG   GLU  11          2HG       GLU  11  -8.804   0.084  -4.925
   74   2HG   GLU  11          1HG       GLU  11  -7.593  -1.192  -5.069
   75    H    LYS  12           H        LYS  12  -6.628  -0.441  -1.711
   76    HA   LYS  12           HA       LYS  12  -8.597   1.189  -0.253
   77   1HB   LYS  12          2HB       LYS  12  -6.165  -0.197   0.825
   78   2HB   LYS  12          1HB       LYS  12  -6.707   1.308   1.550
   79   1HG   LYS  12          2HG       LYS  12  -8.546   0.362   2.476
   80   2HG   LYS  12          1HG       LYS  12  -8.741  -0.803   1.164
   81   1HD   LYS  12          2HD       LYS  12  -7.591  -2.364   2.263
   82   2HD   LYS  12          1HD       LYS  12  -6.286  -1.236   2.634
   83   1HE   LYS  12          2HE       LYS  12  -7.090  -1.859   4.729
   84   2HE   LYS  12          1HE       LYS  12  -7.864  -0.305   4.427
   85   1HZ   LYS  12          1HZ       LYS  12  -9.896  -1.328   3.970
   86   2HZ   LYS  12          2HZ       LYS  12  -9.304  -2.174   5.316
   87   3HZ   LYS  12          3HZ       LYS  12  -9.201  -2.864   3.768
   88    H    VAL  13           H        VAL  13  -7.996   3.361   0.058
   89    HA   VAL  13           HA       VAL  13  -5.762   4.205  -1.667
   90    HB   VAL  13           HB       VAL  13  -8.496   5.220  -1.337
   91   1HG1  VAL  13          1HG1      VAL  13  -7.693   7.599  -1.904
   92   2HG1  VAL  13          2HG1      VAL  13  -7.673   7.087  -0.216
   93   3HG1  VAL  13          3HG1      VAL  13  -6.177   7.105  -1.149
   94   1HG2  VAL  13          1HG2      VAL  13  -6.969   6.282  -3.536
   95   2HG2  VAL  13          2HG2      VAL  13  -6.745   4.539  -3.386
   96   3HG2  VAL  13          3HG2      VAL  13  -8.369   5.207  -3.552
   97    H    ASP  14           H        ASP  14  -4.078   5.166  -0.745
   98    HA   ASP  14           HA       ASP  14  -4.267   6.045   2.032
   99   1HB   ASP  14          2HB       ASP  14  -2.299   4.719   1.304
  100   2HB   ASP  14          1HB       ASP  14  -1.873   6.001   0.177
  101    H    ASN  15           H        ASN  15  -3.372   8.204   2.601
  102    HA   ASN  15           HA       ASN  15  -4.770  10.261   1.420
  103   1HB   ASN  15          2HB       ASN  15  -3.623  10.286   3.670
  104   2HB   ASN  15          1HB       ASN  15  -2.119  10.630   2.821
  105   1HD2  ASN  15          1HD2      ASN  15  -1.801  12.627   3.673
  106   2HD2  ASN  15          2HD2      ASN  15  -2.835  13.984   3.354
  107    H    LEU  16           H        LEU  16  -4.601  11.391  -0.324
  108    HA   LEU  16           HA       LEU  16  -3.637  12.780  -1.890
  109   1HB   LEU  16          2HB       LEU  16  -1.122  11.292  -1.218
  110   2HB   LEU  16          1HB       LEU  16  -1.230  12.269  -2.668
  111    HG   LEU  16           HG       LEU  16  -1.219  13.140   0.196
  112   1HD1  LEU  16          1HD1      LEU  16   0.089  14.921  -1.538
  113   2HD1  LEU  16          2HD1      LEU  16   0.810  13.791  -0.391
  114   3HD1  LEU  16          3HD1      LEU  16   0.525  13.293  -2.059
  115   1HD2  LEU  16          1HD2      LEU  16  -2.237  15.167  -0.205
  116   2HD2  LEU  16          2HD2      LEU  16  -2.019  15.053  -1.952
  117   3HD2  LEU  16          3HD2      LEU  16  -3.243  14.069  -1.150
  118    H    GLY  17           H        GLY  17  -4.431   9.691  -1.806
  119   1HA   GLY  17          1HA       GLY  17  -5.601   8.649  -3.531
  120   2HA   GLY  17          2HA       GLY  17  -4.841   9.739  -4.677
  121    H    ARG  18           H        ARG  18  -3.130   7.746  -2.312
  122    HA   ARG  18           HA       ARG  18  -1.890   6.313  -4.542
  123   1HB   ARG  18          2HB       ARG  18  -0.992   5.244  -2.045
  124   2HB   ARG  18          1HB       ARG  18  -0.090   6.159  -3.234
  125   1HG   ARG  18          2HG       ARG  18  -1.327   8.186  -2.049
  126   2HG   ARG  18          1HG       ARG  18  -1.294   7.045  -0.699
  127   1HD   ARG  18          2HD       ARG  18   1.162   6.729  -1.206
  128   2HD   ARG  18          1HD       ARG  18   1.028   8.124  -2.277
  129    HE   ARG  18           HE       ARG  18   0.425   8.235   0.603
  130   1HH1  ARG  18          2HH1      ARG  18   1.922   9.539  -2.281
  131   2HH1  ARG  18          1HH1      ARG  18   2.410  11.027  -1.519
  132   1HH2  ARG  18          2HH2      ARG  18   1.077  10.175   1.625
  133   2HH2  ARG  18          1HH2      ARG  18   1.936  11.386   0.714
  134    H    THR  19           H        THR  19  -3.567   5.092  -5.280
  135    HA   THR  19           HA       THR  19  -5.171   3.427  -3.639
  136    HB   THR  19           HB       THR  19  -4.772   2.615  -6.449
  137    HG1  THR  19           1HG      THR  19  -5.922   4.496  -7.189
  138   1HG2  THR  19          1HG2      THR  19  -7.138   3.247  -4.690
  139   2HG2  THR  19          2HG2      THR  19  -6.585   1.659  -5.223
  140   3HG2  THR  19          3HG2      THR  19  -7.280   2.786  -6.389
  141    H    TYR  20           H        TYR  20  -4.224   1.883  -2.448
  142    HA   TYR  20           HA       TYR  20  -2.182   0.247  -3.766
  143   1HB   TYR  20          2HB       TYR  20  -1.199  -0.200  -1.603
  144   2HB   TYR  20          1HB       TYR  20  -1.314   1.531  -1.855
  145    HD1  TYR  20           1HD      TYR  20  -2.903   2.881  -0.525
  146    HD2  TYR  20           2HD      TYR  20  -2.427  -1.299   0.137
  147    HE1  TYR  20           1HE      TYR  20  -4.011   3.105   1.653
  148    HE2  TYR  20           2HE      TYR  20  -3.540  -1.086   2.311
  149    HH   TYR  20           HH       TYR  20  -4.879   2.026   3.403
  150    H    TYR  21           H        TYR  21  -2.001  -1.958  -2.754
  151    HA   TYR  21           HA       TYR  21  -4.694  -3.080  -2.414
  152   1HB   TYR  21          2HB       TYR  21  -2.475  -4.083  -4.213
  153   2HB   TYR  21          1HB       TYR  21  -3.892  -5.036  -3.790
  154    HD1  TYR  21           1HD      TYR  21  -2.591  -2.383  -5.917
  155    HD2  TYR  21           2HD      TYR  21  -6.146  -4.285  -4.541
  156    HE1  TYR  21           1HE      TYR  21  -3.846  -1.381  -7.772
  157    HE2  TYR  21           2HE      TYR  21  -7.399  -3.287  -6.399
  158    HH   TYR  21           HH       TYR  21  -7.253  -1.377  -7.904
  159    H    VAL  22           H        VAL  22  -4.821  -4.122  -0.571
  160    HA   VAL  22           HA       VAL  22  -2.321  -5.069   0.638
  161    HB   VAL  22           HB       VAL  22  -3.290  -3.422   2.049
  162   1HG1  VAL  22          1HG1      VAL  22  -5.775  -4.471   2.862
  163   2HG1  VAL  22          2HG1      VAL  22  -5.458  -2.970   1.990
  164   3HG1  VAL  22          3HG1      VAL  22  -5.768  -4.461   1.098
  165   1HG2  VAL  22          1HG2      VAL  22  -2.381  -5.253   3.289
  166   2HG2  VAL  22          2HG2      VAL  22  -3.862  -4.730   4.094
  167   3HG2  VAL  22          3HG2      VAL  22  -3.868  -6.186   3.099
  168    H    ASN  23           H        ASN  23  -2.014  -7.137   0.359
  169    HA   ASN  23           HA       ASN  23  -4.079  -9.061   0.018
  170   1HB   ASN  23          2HB       ASN  23  -1.730  -9.357  -0.793
  171   2HB   ASN  23          1HB       ASN  23  -1.213  -9.531   0.880
  172   1HD2  ASN  23          1HD2      ASN  23  -0.609 -11.506  -0.794
  173   2HD2  ASN  23          2HD2      ASN  23  -1.586 -12.907  -0.508
  174    H    HIS  24           H        HIS  24  -5.421  -9.727   1.569
  175    HA   HIS  24           HA       HIS  24  -5.044  -8.973   4.280
  176   1HB   HIS  24          2HB       HIS  24  -7.112 -10.407   2.728
  177   2HB   HIS  24          1HB       HIS  24  -7.067 -10.736   4.458
  178    HD1  HIS  24           1HD      HIS  24  -9.334  -9.523   4.770
  179    HD2  HIS  24           2HD      HIS  24  -6.278  -7.119   3.293
  180    HE1  HIS  24           1HE      HIS  24 -10.163  -7.161   4.999
  181    HE2  HIS  24           2HE      HIS  24  -8.407  -5.746   3.874
  182    H    ASN  25           H        ASN  25  -3.789 -11.554   2.561
  183    HA   ASN  25           HA       ASN  25  -3.918 -13.594   4.530
  184   1HB   ASN  25          2HB       ASN  25  -2.885 -13.280   1.888
  185   2HB   ASN  25          1HB       ASN  25  -1.611 -13.942   2.905
  186   1HD2  ASN  25          1HD2      ASN  25  -4.733 -14.443   1.536
  187   2HD2  ASN  25          2HD2      ASN  25  -4.841 -16.131   1.878
  188    H    ASN  26           H        ASN  26  -1.080 -11.734   3.413
  189    HA   ASN  26           HA       ASN  26   0.062 -12.058   6.109
  190   1HB   ASN  26          2HB       ASN  26   1.156 -12.949   3.818
  191   2HB   ASN  26          1HB       ASN  26   1.823 -11.320   3.834
  192   1HD2  ASN  26          1HD2      ASN  26   1.499 -14.262   5.762
  193   2HD2  ASN  26          2HD2      ASN  26   2.983 -14.053   6.643
  194    H    ARG  27           H        ARG  27  -1.642  -9.928   4.600
  195    HA   ARG  27           HA       ARG  27  -1.948  -7.700   4.559
  196   1HB   ARG  27          2HB       ARG  27  -0.023  -7.691   6.888
  197   2HB   ARG  27          1HB       ARG  27  -1.098  -6.378   6.423
  198   1HG   ARG  27          2HG       ARG  27  -2.649  -8.738   6.727
  199   2HG   ARG  27          1HG       ARG  27  -1.626  -8.540   8.151
  200   1HD   ARG  27          2HD       ARG  27  -2.769  -6.751   8.862
  201   2HD   ARG  27          1HD       ARG  27  -2.848  -6.051   7.245
  202    HE   ARG  27           HE       ARG  27  -4.606  -8.305   7.744
  203   1HH1  ARG  27          2HH1      ARG  27  -4.255  -4.815   7.691
  204   2HH1  ARG  27          1HH1      ARG  27  -5.971  -4.527   7.583
  205   1HH2  ARG  27          2HH2      ARG  27  -6.829  -7.939   7.570
  206   2HH2  ARG  27          1HH2      ARG  27  -7.440  -6.308   7.476
  207    H    SER  28           H        SER  28  -0.337  -8.419   2.606
  208    HA   SER  28           HA       SER  28   2.059  -6.835   2.526
  209   1HB   SER  28          2HB       SER  28   0.865  -7.697  -0.030
  210   2HB   SER  28          1HB       SER  28   2.487  -7.973   0.607
  211    HG   SER  28           HG       SER  28   1.870  -9.884   1.185
  212    H    THR  29           H        THR  29   1.923  -4.673   2.457
  213    HA   THR  29           HA       THR  29  -0.417  -3.467   1.149
  214    HB   THR  29           HB       THR  29   0.645  -1.385   2.467
  215    HG1  THR  29           1HG      THR  29   2.241  -3.201   3.275
  216   1HG2  THR  29          1HG2      THR  29  -0.778  -2.481   4.500
  217   2HG2  THR  29          2HG2      THR  29  -1.355  -3.437   3.134
  218   3HG2  THR  29          3HG2      THR  29  -1.497  -1.678   3.103
  219    H    GLN  30           H        GLN  30   0.511  -3.680  -0.934
  220    HA   GLN  30           HA       GLN  30   2.743  -1.850  -1.510
  221   1HB   GLN  30          2HB       GLN  30   2.652  -3.074  -3.795
  222   2HB   GLN  30          1HB       GLN  30   3.365  -3.914  -2.426
  223   1HG   GLN  30          2HG       GLN  30   2.021  -5.595  -2.957
  224   2HG   GLN  30          1HG       GLN  30   0.718  -4.626  -2.283
  225   1HE2  GLN  30          1HE2      GLN  30   1.678  -6.320  -4.880
  226   2HE2  GLN  30          2HE2      GLN  30   0.638  -5.632  -6.074
  227    H    TRP  31           H        TRP  31   2.508  -0.300  -3.177
  228    HA   TRP  31           HA       TRP  31  -0.258   0.087  -4.074
  229   1HB   TRP  31          2HB       TRP  31   1.272   2.431  -4.612
  230   2HB   TRP  31          1HB       TRP  31  -0.088   2.238  -3.528
  231    HD1  TRP  31           HD       TRP  31   3.694   1.444  -3.269
  232    HE1  TRP  31           1HE      TRP  31   4.524   2.231  -0.963
  233    HE3  TRP  31           3HE      TRP  31  -0.688   3.303  -1.444
  234    HZ2  TRP  31           2HZ      TRP  31   3.455   3.495   1.315
  235    HZ3  TRP  31           3HZ      TRP  31  -0.700   4.284   0.805
  236    HH2  TRP  31           HH       TRP  31   1.325   4.383   2.153
  237    H    HIS  32           H        HIS  32   1.906  -1.650  -5.239
  238    HA   HIS  32           HA       HIS  32   2.169  -0.250  -7.825
  239   1HB   HIS  32          2HB       HIS  32   4.046  -1.766  -8.350
  240   2HB   HIS  32          1HB       HIS  32   4.352  -0.779  -6.933
  241    HD1  HIS  32           1HD      HIS  32   2.713  -4.217  -7.294
  242    HD2  HIS  32           2HD      HIS  32   5.822  -2.313  -5.301
  243    HE1  HIS  32           1HE      HIS  32   3.699  -5.947  -5.762
  244    HE2  HIS  32           2HE      HIS  32   5.744  -4.851  -4.795
  245    H    ARG  33           H        ARG  33   0.210  -2.287  -6.393
  246    HA   ARG  33           HA       ARG  33  -1.415  -3.678  -7.088
  247   1HB   ARG  33          2HB       ARG  33  -1.251  -2.077  -9.162
  248   2HB   ARG  33          1HB       ARG  33  -0.589  -3.505  -9.950
  249   1HG   ARG  33          2HG       ARG  33  -2.675  -4.703  -9.003
  250   2HG   ARG  33          1HG       ARG  33  -3.319  -3.071  -8.816
  251   1HD   ARG  33          2HD       ARG  33  -3.872  -3.045 -10.946
  252   2HD   ARG  33          1HD       ARG  33  -2.182  -3.267 -11.395
  253    HE   ARG  33           HE       ARG  33  -3.563  -5.694 -10.653
  254   1HH1  ARG  33          2HH1      ARG  33  -2.713  -3.554 -13.299
  255   2HH1  ARG  33          1HH1      ARG  33  -2.928  -4.774 -14.508
  256   1HH2  ARG  33          2HH2      ARG  33  -3.860  -7.282 -12.237
  257   2HH2  ARG  33          1HH2      ARG  33  -3.610  -6.884 -13.914
  258    HA   PRO  34           HA       PRO  34   0.777  -7.525  -7.310
  259   1HB   PRO  34          2HB       PRO  34  -1.391  -9.141  -7.026
  260   2HB   PRO  34          1HB       PRO  34  -0.622  -8.304  -5.674
  261   1HG   PRO  34          2HG       PRO  34  -3.114  -7.626  -7.152
  262   2HG   PRO  34          1HG       PRO  34  -2.743  -7.444  -5.433
  263   1HD   PRO  34          2HD       PRO  34  -2.704  -5.389  -7.247
  264   2HD   PRO  34          1HD       PRO  34  -1.775  -5.408  -5.736
  265    H    SER  35           H        SER  35   1.459  -8.460  -9.105
  266    HA   SER  35           HA       SER  35  -0.484  -9.330 -11.105
  267   1HB   SER  35          2HB       SER  35   2.040  -7.825 -11.828
  268   2HB   SER  35          1HB       SER  35   0.818  -8.431 -12.946
  269    HG   SER  35           HG       SER  35  -0.412  -6.927 -11.141
  270    H    LEU  36           H        LEU  36   1.157 -10.565  -9.008
  271    HA   LEU  36           HA       LEU  36   2.747 -12.385 -10.687
  272   1HB   LEU  36          2HB       LEU  36   3.374 -11.956  -7.791
  273   2HB   LEU  36          1HB       LEU  36   4.413 -12.563  -9.065
  274    HG   LEU  36           HG       LEU  36   3.846  -9.948  -9.839
  275   1HD1  LEU  36          1HD1      LEU  36   3.995 -10.203  -6.872
  276   2HD1  LEU  36          2HD1      LEU  36   4.756  -8.819  -7.659
  277   3HD1  LEU  36          3HD1      LEU  36   3.028  -9.109  -7.863
  278   1HD2  LEU  36          1HD2      LEU  36   6.258 -10.952  -8.329
  279   2HD2  LEU  36          2HD2      LEU  36   5.967 -11.210 -10.049
  280   3HD2  LEU  36          3HD2      LEU  36   6.193  -9.574  -9.428
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  -3.148 -19.609 -16.538
    2   2H    GLY   1          2H        GLY   1  -3.410 -18.005 -17.013
    3   3H    GLY   1          3H        GLY   1  -3.965 -19.276 -17.988
    4   1HA   GLY   1          2HA       GLY   1  -5.822 -18.363 -16.823
    5   2HA   GLY   1          1HA       GLY   1  -5.478 -19.971 -16.202
    6    H    SER   2           H        SER   2  -4.238 -16.678 -15.605
    7    HA   SER   2           HA       SER   2  -4.363 -17.283 -12.729
    8   1HB   SER   2          2HB       SER   2  -2.858 -14.923 -13.233
    9   2HB   SER   2          1HB       SER   2  -2.265 -16.487 -12.670
   10    HG   SER   2           HG       SER   2  -1.467 -16.844 -14.582
   11    HA   PRO   3           HA       PRO   3  -7.679 -14.250 -12.517
   12   1HB   PRO   3          2HB       PRO   3  -7.617 -14.070  -9.761
   13   2HB   PRO   3          1HB       PRO   3  -8.534 -15.275 -10.667
   14   1HG   PRO   3          2HG       PRO   3  -5.897 -15.529  -9.300
   15   2HG   PRO   3          1HG       PRO   3  -7.214 -16.707  -9.436
   16   1HD   PRO   3          2HD       PRO   3  -4.965 -16.853 -10.933
   17   2HD   PRO   3          1HD       PRO   3  -6.544 -17.403 -11.526
   18    HA   PRO   4           HA       PRO   4  -5.132 -10.623 -12.549
   19   1HB   PRO   4          2HB       PRO   4  -7.717  -9.272 -11.967
   20   2HB   PRO   4          1HB       PRO   4  -6.549  -8.967 -13.259
   21   1HG   PRO   4          2HG       PRO   4  -8.831 -10.223 -13.780
   22   2HG   PRO   4          1HG       PRO   4  -7.320 -10.734 -14.554
   23   1HD   PRO   4          2HD       PRO   4  -8.802 -11.981 -12.278
   24   2HD   PRO   4          1HD       PRO   4  -7.944 -12.756 -13.626
   25    H    LEU   5           H        LEU   5  -7.513 -11.117  -9.984
   26    HA   LEU   5           HA       LEU   5  -5.547 -10.099  -8.087
   27   1HB   LEU   5          2HB       LEU   5  -7.475  -8.426  -8.756
   28   2HB   LEU   5          1HB       LEU   5  -8.408  -9.399  -7.630
   29    HG   LEU   5           HG       LEU   5  -6.814  -8.907  -5.847
   30   1HD1  LEU   5          1HD1      LEU   5  -5.097  -8.324  -7.957
   31   2HD1  LEU   5          2HD1      LEU   5  -5.383  -6.778  -7.156
   32   3HD1  LEU   5          3HD1      LEU   5  -4.764  -8.147  -6.231
   33   1HD2  LEU   5          1HD2      LEU   5  -7.834  -6.972  -5.353
   34   2HD2  LEU   5          2HD2      LEU   5  -7.235  -6.178  -6.808
   35   3HD2  LEU   5          3HD2      LEU   5  -8.675  -7.192  -6.887
   36    HA   PRO   6           HA       PRO   6  -6.776 -14.058  -6.358
   37   1HB   PRO   6          2HB       PRO   6  -4.802 -13.280  -4.305
   38   2HB   PRO   6          1HB       PRO   6  -4.853 -14.719  -5.327
   39   1HG   PRO   6          2HG       PRO   6  -3.052 -12.792  -5.749
   40   2HG   PRO   6          1HG       PRO   6  -3.807 -13.658  -7.101
   41   1HD   PRO   6          2HD       PRO   6  -4.438 -10.936  -6.005
   42   2HD   PRO   6          1HD       PRO   6  -4.309 -11.464  -7.697
   43    HA   PRO   7           HA       PRO   7  -9.615 -12.931  -3.179
   44   1HB   PRO   7          2HB       PRO   7  -8.996 -15.479  -1.822
   45   2HB   PRO   7          1HB       PRO   7 -10.519 -14.924  -2.522
   46   1HG   PRO   7          2HG       PRO   7  -9.073 -16.854  -3.685
   47   2HG   PRO   7          1HG       PRO   7  -9.960 -15.655  -4.648
   48   1HD   PRO   7          2HD       PRO   7  -7.040 -15.772  -3.986
   49   2HD   PRO   7          1HD       PRO   7  -7.826 -15.366  -5.525
   50    H    GLY   8           H        GLY   8  -9.237 -11.517  -1.602
   51   1HA   GLY   8          1HA       GLY   8  -8.550 -11.239   0.743
   52   2HA   GLY   8          2HA       GLY   8  -7.074 -12.108   0.330
   53    H    TRP   9           H        TRP   9  -7.327 -10.442  -2.327
   54    HA   TRP   9           HA       TRP   9  -5.649  -8.289  -1.342
   55   1HB   TRP   9          2HB       TRP   9  -6.313  -9.343  -4.079
   56   2HB   TRP   9          1HB       TRP   9  -5.475  -7.808  -3.870
   57    HD1  TRP   9           HD       TRP   9  -4.967 -11.576  -3.474
   58    HE1  TRP   9           1HE      TRP   9  -2.448 -12.048  -3.154
   59    HE3  TRP   9           3HE      TRP   9  -3.312  -6.759  -3.020
   60    HZ2  TRP   9           2HZ      TRP   9  -0.073 -10.533  -2.755
   61    HZ3  TRP   9           3HZ      TRP   9  -0.925  -6.372  -2.674
   62    HH2  TRP   9           HH       TRP   9   0.668  -8.209  -2.544
   63    H    GLU  10           H        GLU  10  -6.450  -6.414  -0.779
   64    HA   GLU  10           HA       GLU  10  -9.088  -5.630  -1.832
   65   1HB   GLU  10          2HB       GLU  10  -8.853  -6.140   0.633
   66   2HB   GLU  10          1HB       GLU  10  -7.801  -4.738   0.750
   67   1HG   GLU  10          2HG       GLU  10  -9.797  -3.459  -0.281
   68   2HG   GLU  10          1HG       GLU  10 -10.736  -4.862   0.227
   69    H    GLU  11           H        GLU  11  -9.365  -3.669  -2.747
   70    HA   GLU  11           HA       GLU  11  -7.027  -2.069  -3.365
   71   1HB   GLU  11          2HB       GLU  11  -9.173  -2.685  -4.827
   72   2HB   GLU  11          1HB       GLU  11  -9.780  -1.207  -4.100
   73   1HG   GLU  11          2HG       GLU  11  -8.190   0.111  -5.137
   74   2HG   GLU  11          1HG       GLU  11  -7.120  -1.255  -5.447
   75    H    LYS  12           H        LYS  12  -6.351  -0.701  -1.846
   76    HA   LYS  12           HA       LYS  12  -8.347   1.007  -0.523
   77   1HB   LYS  12          2HB       LYS  12  -6.489  -0.888   0.704
   78   2HB   LYS  12          1HB       LYS  12  -6.340   0.738   1.356
   79   1HG   LYS  12          2HG       LYS  12  -8.981   0.528   1.465
   80   2HG   LYS  12          1HG       LYS  12  -8.580  -1.189   1.547
   81   1HD   LYS  12          2HD       LYS  12  -6.800  -0.126   3.311
   82   2HD   LYS  12          1HD       LYS  12  -8.190   0.938   3.530
   83   1HE   LYS  12          2HE       LYS  12  -8.155  -2.067   3.762
   84   2HE   LYS  12          1HE       LYS  12  -8.328  -0.912   5.082
   85   1HZ   LYS  12          1HZ       LYS  12 -10.502  -1.320   4.754
   86   2HZ   LYS  12          2HZ       LYS  12 -10.291  -1.838   3.153
   87   3HZ   LYS  12          3HZ       LYS  12 -10.349  -0.180   3.508
   88    H    VAL  13           H        VAL  13  -7.857   3.144  -0.750
   89    HA   VAL  13           HA       VAL  13  -5.237   3.929  -1.680
   90    HB   VAL  13           HB       VAL  13  -6.188   6.297  -0.965
   91   1HG1  VAL  13          1HG1      VAL  13  -6.232   4.769  -3.369
   92   2HG1  VAL  13          2HG1      VAL  13  -7.652   5.812  -3.300
   93   3HG1  VAL  13          3HG1      VAL  13  -6.038   6.509  -3.139
   94   1HG2  VAL  13          1HG2      VAL  13  -8.241   4.934  -0.019
   95   2HG2  VAL  13          2HG2      VAL  13  -8.404   6.551  -0.702
   96   3HG2  VAL  13          3HG2      VAL  13  -8.807   5.140  -1.678
   97    H    ASP  14           H        ASP  14  -3.605   4.814  -0.499
   98    HA   ASP  14           HA       ASP  14  -3.705   4.829   2.348
   99   1HB   ASP  14          2HB       ASP  14  -1.648   4.804   0.651
  100   2HB   ASP  14          1HB       ASP  14  -1.745   6.546   0.894
  101    H    ASN  15           H        ASN  15  -3.209   6.953   3.549
  102    HA   ASN  15           HA       ASN  15  -5.454   8.615   3.312
  103   1HB   ASN  15          2HB       ASN  15  -4.759   9.100   5.378
  104   2HB   ASN  15          1HB       ASN  15  -3.200   8.357   5.060
  105   1HD2  ASN  15          1HD2      ASN  15  -1.442   9.618   4.771
  106   2HD2  ASN  15          2HD2      ASN  15  -1.463  11.352   4.868
  107    H    LEU  16           H        LEU  16  -2.474   8.690   1.636
  108    HA   LEU  16           HA       LEU  16  -2.742  11.487   0.884
  109   1HB   LEU  16          2HB       LEU  16  -0.640   9.485   0.068
  110   2HB   LEU  16          1HB       LEU  16  -0.585  11.218  -0.195
  111    HG   LEU  16           HG       LEU  16  -0.896  10.420   2.620
  112   1HD1  LEU  16          1HD1      LEU  16   1.885  10.173   1.761
  113   2HD1  LEU  16          2HD1      LEU  16   0.966   9.228   2.933
  114   3HD1  LEU  16          3HD1      LEU  16   0.841   8.861   1.211
  115   1HD2  LEU  16          1HD2      LEU  16   0.080  12.404   2.974
  116   2HD2  LEU  16          2HD2      LEU  16   1.345  12.103   1.783
  117   3HD2  LEU  16          3HD2      LEU  16  -0.233  12.694   1.263
  118    H    GLY  17           H        GLY  17  -4.258   8.797  -0.169
  119   1HA   GLY  17          1HA       GLY  17  -5.540   8.576  -2.085
  120   2HA   GLY  17          2HA       GLY  17  -4.745   9.992  -2.754
  121    H    ARG  18           H        ARG  18  -3.430   6.898  -1.599
  122    HA   ARG  18           HA       ARG  18  -2.470   6.405  -4.345
  123   1HB   ARG  18          2HB       ARG  18  -0.901   5.004  -2.313
  124   2HB   ARG  18          1HB       ARG  18  -0.359   5.959  -3.681
  125   1HG   ARG  18          2HG       ARG  18  -0.979   7.995  -2.216
  126   2HG   ARG  18          1HG       ARG  18  -0.933   6.837  -0.885
  127   1HD   ARG  18          2HD       ARG  18   1.265   7.171  -0.801
  128   2HD   ARG  18          1HD       ARG  18   1.375   6.317  -2.340
  129    HE   ARG  18           HE       ARG  18   1.007   8.640  -3.337
  130   1HH1  ARG  18          2HH1      ARG  18   2.751   8.018  -0.355
  131   2HH1  ARG  18          1HH1      ARG  18   3.692   9.478  -0.454
  132   1HH2  ARG  18          2HH2      ARG  18   2.240  10.542  -3.467
  133   2HH2  ARG  18          1HH2      ARG  18   3.398  10.919  -2.228
  134    H    THR  19           H        THR  19  -4.013   5.045  -5.007
  135    HA   THR  19           HA       THR  19  -5.277   3.115  -3.414
  136    HB   THR  19           HB       THR  19  -5.156   2.446  -6.255
  137    HG1  THR  19           1HG      THR  19  -6.600   4.711  -6.163
  138   1HG2  THR  19          1HG2      THR  19  -7.015   1.561  -5.280
  139   2HG2  THR  19          2HG2      THR  19  -7.708   3.103  -5.785
  140   3HG2  THR  19          3HG2      THR  19  -7.171   2.880  -4.119
  141    H    TYR  20           H        TYR  20  -3.975   1.702  -2.365
  142    HA   TYR  20           HA       TYR  20  -2.151   0.133  -4.024
  143   1HB   TYR  20          2HB       TYR  20  -1.049  -0.575  -1.932
  144   2HB   TYR  20          1HB       TYR  20  -1.002   1.167  -2.145
  145    HD1  TYR  20           1HD      TYR  20  -2.004   2.619  -0.551
  146    HD2  TYR  20           2HD      TYR  20  -2.627  -1.578  -0.290
  147    HE1  TYR  20           1HE      TYR  20  -2.982   2.914   1.681
  148    HE2  TYR  20           2HE      TYR  20  -3.614  -1.294   1.937
  149    HH   TYR  20           HH       TYR  20  -3.701   1.881   3.526
  150    H    TYR  21           H        TYR  21  -1.872  -2.148  -3.085
  151    HA   TYR  21           HA       TYR  21  -4.577  -3.258  -2.811
  152   1HB   TYR  21          2HB       TYR  21  -2.215  -4.231  -4.428
  153   2HB   TYR  21          1HB       TYR  21  -3.538  -5.297  -3.989
  154    HD1  TYR  21           1HD      TYR  21  -4.275  -5.747  -6.215
  155    HD2  TYR  21           2HD      TYR  21  -4.007  -1.732  -4.847
  156    HE1  TYR  21           1HE      TYR  21  -5.639  -5.011  -8.118
  157    HE2  TYR  21           2HE      TYR  21  -5.360  -0.987  -6.753
  158    HH   TYR  21           HH       TYR  21  -6.906  -1.787  -8.332
  159    H    VAL  22           H        VAL  22  -4.804  -3.912  -0.807
  160    HA   VAL  22           HA       VAL  22  -2.450  -4.811   0.670
  161    HB   VAL  22           HB       VAL  22  -3.625  -3.180   1.899
  162   1HG1  VAL  22          1HG1      VAL  22  -5.973  -4.370   0.714
  163   2HG1  VAL  22          2HG1      VAL  22  -6.182  -4.074   2.440
  164   3HG1  VAL  22          3HG1      VAL  22  -5.734  -2.748   1.365
  165   1HG2  VAL  22          1HG2      VAL  22  -4.747  -5.644   3.164
  166   2HG2  VAL  22          2HG2      VAL  22  -3.002  -5.406   3.058
  167   3HG2  VAL  22          3HG2      VAL  22  -4.002  -4.236   3.923
  168    H    ASN  23           H        ASN  23  -2.018  -6.867   0.546
  169    HA   ASN  23           HA       ASN  23  -3.950  -8.906   0.093
  170   1HB   ASN  23          2HB       ASN  23  -1.647  -9.306  -0.539
  171   2HB   ASN  23          1HB       ASN  23  -1.100  -9.019   1.110
  172   1HD2  ASN  23          1HD2      ASN  23  -2.693 -11.250  -1.036
  173   2HD2  ASN  23          2HD2      ASN  23  -2.603 -12.623   0.012
  174    H    HIS  24           H        HIS  24  -5.442  -9.507   1.593
  175    HA   HIS  24           HA       HIS  24  -5.239  -8.523   4.269
  176   1HB   HIS  24          2HB       HIS  24  -7.273  -9.904   2.643
  177   2HB   HIS  24          1HB       HIS  24  -7.379 -10.175   4.381
  178    HD1  HIS  24           1HD      HIS  24  -9.456  -8.788   4.771
  179    HD2  HIS  24           2HD      HIS  24  -6.392  -6.686   2.909
  180    HE1  HIS  24           1HE      HIS  24 -10.184  -6.380   4.785
  181    HE2  HIS  24           2HE      HIS  24  -8.438  -5.169   3.425
  182    H    ASN  25           H        ASN  25  -3.571 -10.988   3.105
  183    HA   ASN  25           HA       ASN  25  -4.155 -12.819   5.327
  184   1HB   ASN  25          2HB       ASN  25  -3.474 -13.206   2.567
  185   2HB   ASN  25          1HB       ASN  25  -2.226 -13.941   3.572
  186   1HD2  ASN  25          1HD2      ASN  25  -5.253 -14.286   2.225
  187   2HD2  ASN  25          2HD2      ASN  25  -5.795 -15.669   3.110
  188    H    ASN  26           H        ASN  26  -1.288 -11.706   3.530
  189    HA   ASN  26           HA       ASN  26   0.350 -11.887   5.936
  190   1HB   ASN  26          2HB       ASN  26   1.237 -12.708   3.785
  191   2HB   ASN  26          1HB       ASN  26   1.068 -11.096   3.100
  192   1HD2  ASN  26          1HD2      ASN  26   2.822  -9.890   3.105
  193   2HD2  ASN  26          2HD2      ASN  26   4.182 -10.081   4.158
  194    H    ARG  27           H        ARG  27  -1.547  -9.670   4.333
  195    HA   ARG  27           HA       ARG  27  -2.008  -7.489   4.502
  196   1HB   ARG  27          2HB       ARG  27  -0.293  -7.496   6.988
  197   2HB   ARG  27          1HB       ARG  27  -1.466  -6.269   6.515
  198   1HG   ARG  27          2HG       ARG  27  -3.118  -8.307   6.511
  199   2HG   ARG  27          1HG       ARG  27  -1.914  -8.994   7.602
  200   1HD   ARG  27          2HD       ARG  27  -3.874  -7.657   8.610
  201   2HD   ARG  27          1HD       ARG  27  -2.247  -7.350   9.207
  202    HE   ARG  27           HE       ARG  27  -2.267  -5.261   8.177
  203   1HH1  ARG  27          2HH1      ARG  27  -5.196  -7.045   7.467
  204   2HH1  ARG  27          1HH1      ARG  27  -6.080  -5.638   6.943
  205   1HH2  ARG  27          2HH2      ARG  27  -3.426  -3.401   7.486
  206   2HH2  ARG  27          1HH2      ARG  27  -5.067  -3.573   6.940
  207    H    SER  28           H        SER  28  -0.097  -8.119   2.724
  208    HA   SER  28           HA       SER  28   1.995  -6.129   2.890
  209   1HB   SER  28          2HB       SER  28   1.427  -7.405   0.289
  210   2HB   SER  28          1HB       SER  28   2.950  -7.281   1.174
  211    HG   SER  28           HG       SER  28   2.291  -9.443   1.115
  212    H    THR  29           H        THR  29   1.822  -4.092   2.144
  213    HA   THR  29           HA       THR  29  -0.669  -3.384   0.723
  214    HB   THR  29           HB       THR  29  -0.290  -1.088   1.781
  215    HG1  THR  29           1HG      THR  29   1.750  -2.598   2.993
  216   1HG2  THR  29          1HG2      THR  29  -0.892  -3.491   3.502
  217   2HG2  THR  29          2HG2      THR  29  -2.043  -2.486   2.620
  218   3HG2  THR  29          3HG2      THR  29  -1.176  -1.824   4.006
  219    H    GLN  30           H        GLN  30   0.516  -3.817  -1.290
  220    HA   GLN  30           HA       GLN  30   2.551  -1.787  -1.887
  221   1HB   GLN  30          2HB       GLN  30   3.162  -3.294  -3.816
  222   2HB   GLN  30          1HB       GLN  30   3.520  -3.903  -2.209
  223   1HG   GLN  30          2HG       GLN  30   1.609  -5.379  -2.309
  224   2HG   GLN  30          1HG       GLN  30   1.124  -4.698  -3.854
  225   1HE2  GLN  30          1HE2      GLN  30   1.495  -6.115  -5.355
  226   2HE2  GLN  30          2HE2      GLN  30   2.902  -7.079  -5.509
  227    H    TRP  31           H        TRP  31   2.254  -0.301  -3.426
  228    HA   TRP  31           HA       TRP  31  -0.425  -0.136  -4.542
  229   1HB   TRP  31          2HB       TRP  31   1.118   2.105  -5.365
  230   2HB   TRP  31          1HB       TRP  31  -0.175   2.061  -4.177
  231    HD1  TRP  31           HD       TRP  31   3.624   1.363  -4.249
  232    HE1  TRP  31           1HE      TRP  31   4.657   2.175  -2.040
  233    HE3  TRP  31           3HE      TRP  31  -0.618   3.032  -1.957
  234    HZ2  TRP  31           2HZ      TRP  31   3.791   3.383   0.338
  235    HZ3  TRP  31           3HZ      TRP  31  -0.422   4.014   0.285
  236    HH2  TRP  31           HH       TRP  31   1.733   4.189   1.406
  237    H    HIS  32           H        HIS  32   1.671  -1.990  -5.655
  238    HA   HIS  32           HA       HIS  32   1.467  -0.986  -8.412
  239   1HB   HIS  32          2HB       HIS  32   3.480  -2.701  -8.757
  240   2HB   HIS  32          1HB       HIS  32   3.745  -1.020  -8.324
  241    HD1  HIS  32           1HD      HIS  32   4.296  -4.469  -7.191
  242    HD2  HIS  32           2HD      HIS  32   4.516  -0.635  -5.589
  243    HE1  HIS  32           1HE      HIS  32   5.591  -4.699  -5.047
  244    HE2  HIS  32           2HE      HIS  32   5.908  -2.330  -4.223
  245    H    ARG  33           H        ARG  33   0.014  -2.973  -6.448
  246    HA   ARG  33           HA       ARG  33  -1.330  -4.794  -6.670
  247   1HB   ARG  33          2HB       ARG  33  -0.675  -4.463  -9.605
  248   2HB   ARG  33          1HB       ARG  33  -1.853  -5.611  -8.978
  249   1HG   ARG  33          2HG       ARG  33  -3.411  -4.045  -8.912
  250   2HG   ARG  33          1HG       ARG  33  -2.392  -3.016  -7.909
  251   1HD   ARG  33          2HD       ARG  33  -1.396  -2.923 -10.559
  252   2HD   ARG  33          1HD       ARG  33  -3.141  -2.676 -10.622
  253    HE   ARG  33           HE       ARG  33  -2.755  -0.886  -8.904
  254   1HH1  ARG  33          2HH1      ARG  33  -0.294  -1.760 -11.245
  255   2HH1  ARG  33          1HH1      ARG  33   0.567  -0.252 -11.083
  256   1HH2  ARG  33          2HH2      ARG  33  -1.664   1.070  -8.705
  257   2HH2  ARG  33          1HH2      ARG  33  -0.216   1.363  -9.619
  258    HA   PRO  34           HA       PRO  34   1.431  -8.196  -6.408
  259   1HB   PRO  34          2HB       PRO  34  -0.267 -10.300  -6.441
  260   2HB   PRO  34          1HB       PRO  34  -0.122  -9.194  -5.074
  261   1HG   PRO  34          2HG       PRO  34  -2.222  -9.347  -7.161
  262   2HG   PRO  34          1HG       PRO  34  -2.362  -8.906  -5.459
  263   1HD   PRO  34          2HD       PRO  34  -2.314  -7.122  -7.581
  264   2HD   PRO  34          1HD       PRO  34  -1.969  -6.715  -5.890
  265    H    SER  35           H        SER  35   0.297  -7.378  -9.253
  266    HA   SER  35           HA       SER  35   0.699  -9.773 -10.770
  267   1HB   SER  35          2HB       SER  35   0.964  -7.203 -12.170
  268   2HB   SER  35          1HB       SER  35  -0.136  -8.548 -12.479
  269    HG   SER  35           HG       SER  35  -1.627  -7.463 -11.492
  270    H    LEU  36           H        LEU  36   2.701 -10.632 -10.633
  271    HA   LEU  36           HA       LEU  36   4.962  -8.968 -11.456
  272   1HB   LEU  36          2HB       LEU  36   4.556  -9.675  -8.817
  273   2HB   LEU  36          1HB       LEU  36   5.639 -10.925  -9.389
  274    HG   LEU  36           HG       LEU  36   7.413  -9.512  -9.578
  275   1HD1  LEU  36          1HD1      LEU  36   6.210  -8.101 -11.282
  276   2HD1  LEU  36          2HD1      LEU  36   5.652  -7.101  -9.941
  277   3HD1  LEU  36          3HD1      LEU  36   7.378  -7.253 -10.269
  278   1HD2  LEU  36          1HD2      LEU  36   7.535  -8.068  -7.709
  279   2HD2  LEU  36          2HD2      LEU  36   5.792  -7.804  -7.706
  280   3HD2  LEU  36          3HD2      LEU  36   6.445  -9.377  -7.250
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1 -18.177  -7.446 -14.454
    2   2H    GLY   1          2H        GLY   1 -16.538  -7.048 -14.280
    3   3H    GLY   1          3H        GLY   1 -17.314  -7.975 -13.090
    4   1HA   GLY   1          2HA       GLY   1 -17.726  -9.685 -14.876
    5   2HA   GLY   1          1HA       GLY   1 -16.578  -8.771 -15.843
    6    H    SER   2           H        SER   2 -14.684  -9.751 -15.861
    7    HA   SER   2           HA       SER   2 -13.835 -11.710 -14.072
    8   1HB   SER   2          2HB       SER   2 -11.583 -10.397 -15.277
    9   2HB   SER   2          1HB       SER   2 -12.294 -11.962 -15.676
   10    HG   SER   2           HG       SER   2 -12.437 -10.663 -17.487
   11    HA   PRO   3           HA       PRO   3 -12.186  -9.118 -10.822
   12   1HB   PRO   3          2HB       PRO   3 -11.664 -11.103  -9.079
   13   2HB   PRO   3          1HB       PRO   3 -13.307 -10.556  -9.419
   14   1HG   PRO   3          2HG       PRO   3 -11.945 -13.038 -10.249
   15   2HG   PRO   3          1HG       PRO   3 -13.673 -12.716 -10.051
   16   1HD   PRO   3          2HD       PRO   3 -12.164 -12.754 -12.476
   17   2HD   PRO   3          1HD       PRO   3 -13.881 -12.361 -12.273
   18    HA   PRO   4           HA       PRO   4  -7.926  -9.881 -12.204
   19   1HB   PRO   4          2HB       PRO   4  -7.097  -7.334 -12.068
   20   2HB   PRO   4          1HB       PRO   4  -8.109  -7.919 -13.392
   21   1HG   PRO   4          2HG       PRO   4  -8.861  -6.316 -10.989
   22   2HG   PRO   4          1HG       PRO   4  -9.448  -6.186 -12.656
   23   1HD   PRO   4          2HD       PRO   4 -10.792  -7.457 -10.603
   24   2HD   PRO   4          1HD       PRO   4 -11.051  -7.773 -12.329
   25    H    LEU   5           H        LEU   5  -9.157  -9.152  -9.235
   26    HA   LEU   5           HA       LEU   5  -6.495  -9.059  -7.982
   27   1HB   LEU   5          2HB       LEU   5  -8.516  -7.238  -7.681
   28   2HB   LEU   5          1HB       LEU   5  -8.812  -8.316  -6.330
   29    HG   LEU   5           HG       LEU   5  -6.523  -7.940  -5.522
   30   1HD1  LEU   5          1HD1      LEU   5  -5.694  -7.391  -7.904
   31   2HD1  LEU   5          2HD1      LEU   5  -6.223  -5.749  -7.541
   32   3HD1  LEU   5          3HD1      LEU   5  -4.994  -6.521  -6.540
   33   1HD2  LEU   5          1HD2      LEU   5  -7.616  -6.411  -4.331
   34   2HD2  LEU   5          2HD2      LEU   5  -7.030  -5.218  -5.491
   35   3HD2  LEU   5          3HD2      LEU   5  -8.620  -5.951  -5.707
   36    HA   PRO   6           HA       PRO   6  -7.550 -13.143  -6.545
   37   1HB   PRO   6          2HB       PRO   6  -5.323 -12.790  -4.657
   38   2HB   PRO   6          1HB       PRO   6  -5.505 -13.957  -5.971
   39   1HG   PRO   6          2HG       PRO   6  -3.758 -11.922  -6.123
   40   2HG   PRO   6          1HG       PRO   6  -4.627 -12.519  -7.550
   41   1HD   PRO   6          2HD       PRO   6  -5.186 -10.105  -5.861
   42   2HD   PRO   6          1HD       PRO   6  -5.215 -10.272  -7.628
   43    HA   PRO   7           HA       PRO   7  -9.892 -12.678  -2.832
   44   1HB   PRO   7          2HB       PRO   7  -8.963 -15.347  -1.965
   45   2HB   PRO   7          1HB       PRO   7 -10.599 -14.790  -2.327
   46   1HG   PRO   7          2HG       PRO   7  -9.311 -16.449  -3.978
   47   2HG   PRO   7          1HG       PRO   7 -10.371 -15.169  -4.598
   48   1HD   PRO   7          2HD       PRO   7  -7.382 -15.234  -4.421
   49   2HD   PRO   7          1HD       PRO   7  -8.418 -14.656  -5.743
   50    H    GLY   8           H        GLY   8  -9.423 -11.571  -1.057
   51   1HA   GLY   8          1HA       GLY   8  -8.406 -11.473   1.134
   52   2HA   GLY   8          2HA       GLY   8  -6.996 -12.297   0.468
   53    H    TRP   9           H        TRP   9  -7.463 -10.431  -1.973
   54    HA   TRP   9           HA       TRP   9  -5.718  -8.333  -0.968
   55   1HB   TRP   9          2HB       TRP   9  -6.560  -9.235  -3.710
   56   2HB   TRP   9          1HB       TRP   9  -5.756  -7.686  -3.477
   57    HD1  TRP   9           HD       TRP   9  -5.094 -11.418  -3.525
   58    HE1  TRP   9           1HE      TRP   9  -2.551 -11.817  -3.382
   59    HE3  TRP   9           3HE      TRP   9  -3.592  -6.653  -2.480
   60    HZ2  TRP   9           2HZ      TRP   9  -0.207 -10.285  -2.872
   61    HZ3  TRP   9           3HZ      TRP   9  -1.206  -6.203  -2.172
   62    HH2  TRP   9           HH       TRP   9   0.456  -7.978  -2.363
   63    H    GLU  10           H        GLU  10  -6.406  -6.377  -0.405
   64    HA   GLU  10           HA       GLU  10  -9.112  -5.576  -1.248
   65   1HB   GLU  10          2HB       GLU  10  -8.557  -5.959   1.238
   66   2HB   GLU  10          1HB       GLU  10  -7.629  -4.471   1.127
   67   1HG   GLU  10          2HG       GLU  10  -9.740  -3.379   0.276
   68   2HG   GLU  10          1HG       GLU  10 -10.581  -4.845   0.770
   69    H    GLU  11           H        GLU  11  -9.336  -3.781  -2.440
   70    HA   GLU  11           HA       GLU  11  -6.980  -2.223  -3.107
   71   1HB   GLU  11          2HB       GLU  11  -8.805  -2.959  -4.753
   72   2HB   GLU  11          1HB       GLU  11  -9.794  -1.692  -4.041
   73   1HG   GLU  11          2HG       GLU  11  -7.474  -0.366  -4.595
   74   2HG   GLU  11          1HG       GLU  11  -7.574  -1.515  -5.924
   75    H    LYS  12           H        LYS  12  -6.391  -0.542  -1.921
   76    HA   LYS  12           HA       LYS  12  -8.483   0.975  -0.513
   77   1HB   LYS  12          2HB       LYS  12  -6.145  -0.465   0.616
   78   2HB   LYS  12          1HB       LYS  12  -6.487   1.126   1.279
   79   1HG   LYS  12          2HG       LYS  12  -8.760   0.413   1.822
   80   2HG   LYS  12          1HG       LYS  12  -8.410  -1.186   1.162
   81   1HD   LYS  12          2HD       LYS  12  -8.159  -1.357   3.514
   82   2HD   LYS  12          1HD       LYS  12  -6.528  -1.335   2.840
   83   1HE   LYS  12          2HE       LYS  12  -6.417   0.123   4.666
   84   2HE   LYS  12          1HE       LYS  12  -6.582   1.186   3.269
   85   1HZ   LYS  12          1HZ       LYS  12  -9.139   0.503   4.248
   86   2HZ   LYS  12          2HZ       LYS  12  -8.417   2.032   4.131
   87   3HZ   LYS  12          3HZ       LYS  12  -8.191   1.090   5.528
   88    H    VAL  13           H        VAL  13  -8.267   3.131  -0.657
   89    HA   VAL  13           HA       VAL  13  -5.798   4.259  -1.709
   90    HB   VAL  13           HB       VAL  13  -8.561   5.293  -1.260
   91   1HG1  VAL  13          1HG1      VAL  13  -7.977   7.577  -1.284
   92   2HG1  VAL  13          2HG1      VAL  13  -6.972   6.846  -0.033
   93   3HG1  VAL  13          3HG1      VAL  13  -6.280   7.222  -1.611
   94   1HG2  VAL  13          1HG2      VAL  13  -7.001   4.598  -3.448
   95   2HG2  VAL  13          2HG2      VAL  13  -8.559   5.424  -3.480
   96   3HG2  VAL  13          3HG2      VAL  13  -7.062   6.361  -3.488
   97    H    ASP  14           H        ASP  14  -4.303   5.275  -0.464
   98    HA   ASP  14           HA       ASP  14  -4.232   4.611   2.253
   99   1HB   ASP  14          2HB       ASP  14  -2.145   5.801   2.368
  100   2HB   ASP  14          1HB       ASP  14  -2.222   4.945   0.838
  101    H    ASN  15           H        ASN  15  -4.256   7.929   0.950
  102    HA   ASN  15           HA       ASN  15  -6.176   8.806   2.928
  103   1HB   ASN  15          2HB       ASN  15  -3.286   9.714   3.038
  104   2HB   ASN  15          1HB       ASN  15  -4.606  10.583   3.810
  105   1HD2  ASN  15          1HD2      ASN  15  -2.365   8.053   4.067
  106   2HD2  ASN  15          2HD2      ASN  15  -2.904   7.410   5.578
  107    H    LEU  16           H        LEU  16  -3.667   9.753   0.617
  108    HA   LEU  16           HA       LEU  16  -5.247  12.096  -0.150
  109   1HB   LEU  16          2HB       LEU  16  -3.194  12.797  -1.348
  110   2HB   LEU  16          1HB       LEU  16  -2.962  12.583   0.375
  111    HG   LEU  16           HG       LEU  16  -2.321  10.208  -1.239
  112   1HD1  LEU  16          1HD1      LEU  16  -1.549  11.956  -2.759
  113   2HD1  LEU  16          2HD1      LEU  16  -0.632  12.696  -1.447
  114   3HD1  LEU  16          3HD1      LEU  16  -0.193  11.091  -2.032
  115   1HD2  LEU  16          1HD2      LEU  16  -0.232  11.251   0.432
  116   2HD2  LEU  16          2HD2      LEU  16  -1.764  11.249   1.303
  117   3HD2  LEU  16          3HD2      LEU  16  -1.150   9.757   0.596
  118    H    GLY  17           H        GLY  17  -4.014   9.058  -1.437
  119   1HA   GLY  17          1HA       GLY  17  -5.822   8.390  -3.196
  120   2HA   GLY  17          2HA       GLY  17  -5.137   9.755  -4.058
  121    H    ARG  18           H        ARG  18  -3.121   7.606  -2.133
  122    HA   ARG  18           HA       ARG  18  -1.988   6.593  -4.638
  123   1HB   ARG  18          2HB       ARG  18  -0.761   5.607  -2.156
  124   2HB   ARG  18          1HB       ARG  18  -0.020   6.340  -3.571
  125   1HG   ARG  18          2HG       ARG  18  -1.144   8.527  -2.541
  126   2HG   ARG  18          1HG       ARG  18  -0.943   7.594  -1.058
  127   1HD   ARG  18          2HD       ARG  18   0.978   9.036  -1.469
  128   2HD   ARG  18          1HD       ARG  18   1.425   7.331  -1.524
  129    HE   ARG  18           HE       ARG  18   0.912   8.846  -4.003
  130   1HH1  ARG  18          2HH1      ARG  18   3.056   6.964  -1.955
  131   2HH1  ARG  18          1HH1      ARG  18   4.213   6.685  -3.226
  132   1HH2  ARG  18          2HH2      ARG  18   2.437   8.460  -5.665
  133   2HH2  ARG  18          1HH2      ARG  18   3.887   7.568  -5.305
  134    H    THR  19           H        THR  19  -3.692   5.300  -5.221
  135    HA   THR  19           HA       THR  19  -5.013   3.460  -3.575
  136    HB   THR  19           HB       THR  19  -4.786   2.741  -6.421
  137    HG1  THR  19           1HG      THR  19  -6.283   5.055  -5.949
  138   1HG2  THR  19          1HG2      THR  19  -6.536   2.209  -4.420
  139   2HG2  THR  19          2HG2      THR  19  -6.935   2.103  -6.136
  140   3HG2  THR  19          3HG2      THR  19  -7.350   3.555  -5.220
  141    H    TYR  20           H        TYR  20  -4.040   1.861  -2.539
  142    HA   TYR  20           HA       TYR  20  -2.089   0.260  -4.037
  143   1HB   TYR  20          2HB       TYR  20  -1.030  -0.329  -1.940
  144   2HB   TYR  20          1HB       TYR  20  -1.087   1.418  -2.104
  145    HD1  TYR  20           1HD      TYR  20  -2.654   2.737  -0.696
  146    HD2  TYR  20           2HD      TYR  20  -2.156  -1.451  -0.177
  147    HE1  TYR  20           1HE      TYR  20  -3.683   2.897   1.529
  148    HE2  TYR  20           2HE      TYR  20  -3.185  -1.300   2.045
  149    HH   TYR  20           HH       TYR  20  -3.401   1.199   3.799
  150    H    TYR  21           H        TYR  21  -1.931  -2.006  -3.075
  151    HA   TYR  21           HA       TYR  21  -4.656  -3.007  -2.609
  152   1HB   TYR  21          2HB       TYR  21  -2.480  -4.407  -4.184
  153   2HB   TYR  21          1HB       TYR  21  -4.134  -4.963  -3.950
  154    HD1  TYR  21           1HD      TYR  21  -1.942  -2.849  -5.929
  155    HD2  TYR  21           2HD      TYR  21  -6.014  -3.705  -5.017
  156    HE1  TYR  21           1HE      TYR  21  -2.645  -1.665  -7.961
  157    HE2  TYR  21           2HE      TYR  21  -6.719  -2.528  -7.054
  158    HH   TYR  21           HH       TYR  21  -5.700  -0.618  -8.526
  159    H    VAL  22           H        VAL  22  -4.827  -3.953  -0.707
  160    HA   VAL  22           HA       VAL  22  -2.351  -4.859   0.595
  161    HB   VAL  22           HB       VAL  22  -3.217  -3.116   1.895
  162   1HG1  VAL  22          1HG1      VAL  22  -5.792  -4.071   0.983
  163   2HG1  VAL  22          2HG1      VAL  22  -5.790  -3.695   2.707
  164   3HG1  VAL  22          3HG1      VAL  22  -5.312  -2.467   1.535
  165   1HG2  VAL  22          1HG2      VAL  22  -3.604  -4.092   3.989
  166   2HG2  VAL  22          2HG2      VAL  22  -4.417  -5.488   3.281
  167   3HG2  VAL  22          3HG2      VAL  22  -2.673  -5.295   3.097
  168    H    ASN  23           H        ASN  23  -2.127  -6.970   0.583
  169    HA   ASN  23           HA       ASN  23  -4.284  -8.810   0.420
  170   1HB   ASN  23          2HB       ASN  23  -1.817  -9.232  -0.186
  171   2HB   ASN  23          1HB       ASN  23  -1.553  -9.438   1.542
  172   1HD2  ASN  23          1HD2      ASN  23  -0.993 -11.463  -0.200
  173   2HD2  ASN  23          2HD2      ASN  23  -2.135 -12.755   0.011
  174    H    HIS  24           H        HIS  24  -5.393  -9.836   2.080
  175    HA   HIS  24           HA       HIS  24  -4.971  -8.741   4.757
  176   1HB   HIS  24          2HB       HIS  24  -7.206 -10.189   3.398
  177   2HB   HIS  24          1HB       HIS  24  -7.089 -10.283   5.151
  178    HD1  HIS  24           1HD      HIS  24  -9.199  -8.894   5.539
  179    HD2  HIS  24           2HD      HIS  24  -6.268  -6.930   3.336
  180    HE1  HIS  24           1HE      HIS  24  -9.933  -6.490   5.424
  181    HE2  HIS  24           2HE      HIS  24  -8.287  -5.380   3.869
  182    H    ASN  25           H        ASN  25  -4.228 -11.464   2.908
  183    HA   ASN  25           HA       ASN  25  -4.092 -13.370   5.060
  184   1HB   ASN  25          2HB       ASN  25  -3.902 -13.408   2.200
  185   2HB   ASN  25          1HB       ASN  25  -2.462 -14.174   2.861
  186   1HD2  ASN  25          1HD2      ASN  25  -5.252 -14.918   1.610
  187   2HD2  ASN  25          2HD2      ASN  25  -5.711 -16.302   2.536
  188    H    ASN  26           H        ASN  26  -1.601 -11.970   2.936
  189    HA   ASN  26           HA       ASN  26   0.455 -12.459   4.934
  190   1HB   ASN  26          2HB       ASN  26   0.912 -12.951   2.559
  191   2HB   ASN  26          1HB       ASN  26   0.645 -11.258   2.156
  192   1HD2  ASN  26          1HD2      ASN  26   2.756 -13.525   3.752
  193   2HD2  ASN  26          2HD2      ASN  26   4.145 -12.478   3.819
  194    H    ARG  27           H        ARG  27  -1.614  -9.980   3.994
  195    HA   ARG  27           HA       ARG  27  -1.818  -7.780   4.355
  196   1HB   ARG  27          2HB       ARG  27   0.087  -8.239   6.651
  197   2HB   ARG  27          1HB       ARG  27  -0.935  -6.825   6.408
  198   1HG   ARG  27          2HG       ARG  27  -2.588  -9.129   6.317
  199   2HG   ARG  27          1HG       ARG  27  -1.562  -9.233   7.747
  200   1HD   ARG  27          2HD       ARG  27  -3.904  -7.742   7.454
  201   2HD   ARG  27          1HD       ARG  27  -2.758  -7.673   8.789
  202    HE   ARG  27           HE       ARG  27  -1.615  -5.870   7.505
  203   1HH1  ARG  27          2HH1      ARG  27  -5.018  -6.554   6.952
  204   2HH1  ARG  27          1HH1      ARG  27  -5.359  -4.956   6.342
  205   1HH2  ARG  27          2HH2      ARG  27  -2.076  -3.791   6.723
  206   2HH2  ARG  27          1HH2      ARG  27  -3.689  -3.393   6.205
  207    H    SER  28           H        SER  28  -0.327  -8.192   2.297
  208    HA   SER  28           HA       SER  28   2.086  -6.586   2.481
  209   1HB   SER  28          2HB       SER  28   1.346  -7.248  -0.212
  210   2HB   SER  28          1HB       SER  28   2.712  -7.846   0.729
  211    HG   SER  28           HG       SER  28   1.420  -9.588   0.162
  212    H    THR  29           H        THR  29   1.734  -4.455   2.600
  213    HA   THR  29           HA       THR  29  -0.576  -3.281   1.238
  214    HB   THR  29           HB       THR  29   0.543  -1.199   2.556
  215    HG1  THR  29           1HG      THR  29   2.213  -2.268   3.532
  216   1HG2  THR  29          1HG2      THR  29  -0.908  -2.563   4.545
  217   2HG2  THR  29          2HG2      THR  29  -1.614  -3.041   3.000
  218   3HG2  THR  29          3HG2      THR  29  -1.500  -1.335   3.428
  219    H    GLN  30           H        GLN  30   0.690  -3.752  -0.841
  220    HA   GLN  30           HA       GLN  30   2.763  -1.726  -1.320
  221   1HB   GLN  30          2HB       GLN  30   3.255  -3.152  -3.367
  222   2HB   GLN  30          1HB       GLN  30   3.651  -3.847  -1.807
  223   1HG   GLN  30          2HG       GLN  30   1.711  -5.263  -1.889
  224   2HG   GLN  30          1HG       GLN  30   1.131  -4.452  -3.333
  225   1HE2  GLN  30          1HE2      GLN  30   1.422  -5.561  -5.038
  226   2HE2  GLN  30          2HE2      GLN  30   2.732  -6.616  -5.367
  227    H    TRP  31           H        TRP  31   2.503  -0.125  -2.817
  228    HA   TRP  31           HA       TRP  31  -0.129   0.030  -4.072
  229   1HB   TRP  31          2HB       TRP  31   1.403   2.332  -4.751
  230   2HB   TRP  31          1HB       TRP  31  -0.005   2.225  -3.713
  231    HD1  TRP  31           HD       TRP  31   3.801   1.648  -3.301
  232    HE1  TRP  31           1HE      TRP  31   4.527   2.629  -1.044
  233    HE3  TRP  31           3HE      TRP  31  -0.738   3.285  -1.657
  234    HZ2  TRP  31           2HZ      TRP  31   3.329   3.941   1.146
  235    HZ3  TRP  31           3HZ      TRP  31  -0.863   4.409   0.524
  236    HH2  TRP  31           HH       TRP  31   1.129   4.732   1.894
  237    H    HIS  32           H        HIS  32   2.646  -1.368  -4.972
  238    HA   HIS  32           HA       HIS  32   2.567  -0.362  -7.715
  239   1HB   HIS  32          2HB       HIS  32   4.497  -1.997  -8.079
  240   2HB   HIS  32          1HB       HIS  32   4.813  -0.592  -7.075
  241    HD1  HIS  32           1HD      HIS  32   4.423  -4.323  -6.917
  242    HD2  HIS  32           2HD      HIS  32   5.551  -1.156  -4.467
  243    HE1  HIS  32           1HE      HIS  32   5.445  -5.371  -4.872
  244    HE2  HIS  32           2HE      HIS  32   6.315  -3.438  -3.515
  245    H    ARG  33           H        ARG  33   0.616  -2.209  -6.225
  246    HA   ARG  33           HA       ARG  33  -0.884  -3.807  -6.809
  247   1HB   ARG  33          2HB       ARG  33  -0.902  -2.667  -9.002
  248   2HB   ARG  33          1HB       ARG  33   0.417  -3.696  -9.539
  249   1HG   ARG  33          2HG       ARG  33  -0.957  -5.636  -9.433
  250   2HG   ARG  33          1HG       ARG  33  -2.253  -4.745  -8.638
  251   1HD   ARG  33          2HD       ARG  33  -2.061  -3.253 -10.811
  252   2HD   ARG  33          1HD       ARG  33  -1.410  -4.745 -11.488
  253    HE   ARG  33           HE       ARG  33  -4.132  -4.185 -10.854
  254   1HH1  ARG  33          2HH1      ARG  33  -1.777  -6.772 -11.126
  255   2HH1  ARG  33          1HH1      ARG  33  -2.975  -8.024 -11.280
  256   1HH2  ARG  33          2HH2      ARG  33  -5.706  -5.820 -11.054
  257   2HH2  ARG  33          1HH2      ARG  33  -5.209  -7.483 -11.206
  258    HA   PRO  34           HA       PRO  34   1.245  -7.631  -5.937
  259   1HB   PRO  34          2HB       PRO  34  -0.843  -9.267  -6.809
  260   2HB   PRO  34          1HB       PRO  34  -0.610  -8.675  -5.165
  261   1HG   PRO  34          2HG       PRO  34  -2.399  -7.657  -7.308
  262   2HG   PRO  34          1HG       PRO  34  -2.646  -7.682  -5.558
  263   1HD   PRO  34          2HD       PRO  34  -2.016  -5.425  -6.874
  264   2HD   PRO  34          1HD       PRO  34  -1.425  -5.748  -5.231
  265    H    SER  35           H        SER  35   2.820  -7.593  -7.485
  266    HA   SER  35           HA       SER  35   2.278  -7.980 -10.261
  267   1HB   SER  35          2HB       SER  35   5.035  -8.252  -9.159
  268   2HB   SER  35          1HB       SER  35   4.465  -7.345 -10.565
  269    HG   SER  35           HG       SER  35   3.369  -5.980  -8.887
  270    H    LEU  36           H        LEU  36   1.603  -9.905 -10.885
  271    HA   LEU  36           HA       LEU  36   3.247 -12.241 -10.261
  272   1HB   LEU  36          2HB       LEU  36   0.230 -12.143 -10.091
  273   2HB   LEU  36          1HB       LEU  36   1.183 -13.613 -10.040
  274    HG   LEU  36           HG       LEU  36   1.795 -11.509  -8.026
  275   1HD1  LEU  36          1HD1      LEU  36  -0.698 -13.181  -8.057
  276   2HD1  LEU  36          2HD1      LEU  36   0.006 -12.559  -6.566
  277   3HD1  LEU  36          3HD1      LEU  36  -0.542 -11.442  -7.815
  278   1HD2  LEU  36          1HD2      LEU  36   1.594 -14.510  -7.842
  279   2HD2  LEU  36          2HD2      LEU  36   3.075 -13.623  -8.206
  280   3HD2  LEU  36          3HD2      LEU  36   2.285 -13.417  -6.642
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1   1.117 -12.699 -18.987
    2   2H    GLY   1          2H        GLY   1   0.536 -11.321 -18.187
    3   3H    GLY   1          3H        GLY   1  -0.454 -12.138 -19.288
    4   1HA   GLY   1          2HA       GLY   1  -1.109 -13.650 -17.805
    5   2HA   GLY   1          1HA       GLY   1   0.524 -13.819 -17.170
    6    H    SER   2           H        SER   2  -2.225 -11.572 -17.214
    7    HA   SER   2           HA       SER   2  -1.360 -10.592 -14.576
    8   1HB   SER   2          2HB       SER   2  -3.412  -8.989 -15.842
    9   2HB   SER   2          1HB       SER   2  -1.796  -8.520 -15.311
   10    HG   SER   2           HG       SER   2  -2.647  -8.780 -17.784
   11    HA   PRO   3           HA       PRO   3  -5.140 -12.619 -13.156
   12   1HB   PRO   3          2HB       PRO   3  -4.559 -12.441 -10.528
   13   2HB   PRO   3          1HB       PRO   3  -3.812 -13.660 -11.569
   14   1HG   PRO   3          2HG       PRO   3  -2.703 -11.058 -10.594
   15   2HG   PRO   3          1HG       PRO   3  -1.900 -12.632 -10.737
   16   1HD   PRO   3          2HD       PRO   3  -1.621 -10.609 -12.557
   17   2HD   PRO   3          1HD       PRO   3  -1.439 -12.328 -12.959
   18    HA   PRO   4           HA       PRO   4  -7.459  -8.916 -12.294
   19   1HB   PRO   4          2HB       PRO   4  -9.379 -10.586 -10.822
   20   2HB   PRO   4          1HB       PRO   4  -9.615  -9.643 -12.293
   21   1HG   PRO   4          2HG       PRO   4  -9.546 -12.341 -12.301
   22   2HG   PRO   4          1HG       PRO   4  -8.962 -11.370 -13.664
   23   1HD   PRO   4          2HD       PRO   4  -7.412 -12.767 -11.522
   24   2HD   PRO   4          1HD       PRO   4  -7.042 -12.592 -13.251
   25    H    LEU   5           H        LEU   5  -8.146 -11.037  -9.533
   26    HA   LEU   5           HA       LEU   5  -6.331  -9.794  -7.762
   27   1HB   LEU   5          2HB       LEU   5  -8.453  -8.223  -8.192
   28   2HB   LEU   5          1HB       LEU   5  -9.133  -9.268  -6.963
   29    HG   LEU   5           HG       LEU   5  -7.319  -8.649  -5.423
   30   1HD1  LEU   5          1HD1      LEU   5  -5.969  -7.954  -7.707
   31   2HD1  LEU   5          2HD1      LEU   5  -6.371  -6.391  -6.993
   32   3HD1  LEU   5          3HD1      LEU   5  -5.467  -7.583  -6.056
   33   1HD2  LEU   5          1HD2      LEU   5  -9.434  -7.322  -5.547
   34   2HD2  LEU   5          2HD2      LEU   5  -8.042  -6.421  -4.945
   35   3HD2  LEU   5          3HD2      LEU   5  -8.594  -6.186  -6.603
   36    HA   PRO   6           HA       PRO   6  -7.440 -13.773  -5.900
   37   1HB   PRO   6          2HB       PRO   6  -5.453 -12.906  -3.894
   38   2HB   PRO   6          1HB       PRO   6  -5.494 -14.380  -4.863
   39   1HG   PRO   6          2HG       PRO   6  -3.719 -12.432  -5.354
   40   2HG   PRO   6          1HG       PRO   6  -4.438 -13.389  -6.663
   41   1HD   PRO   6          2HD       PRO   6  -5.116 -10.618  -5.744
   42   2HD   PRO   6          1HD       PRO   6  -4.998 -11.258  -7.396
   43    HA   PRO   7           HA       PRO   7 -10.418 -12.401  -3.186
   44   1HB   PRO   7          2HB       PRO   7 -10.665 -14.375  -1.328
   45   2HB   PRO   7          1HB       PRO   7 -11.195 -14.537  -3.004
   46   1HG   PRO   7          2HG       PRO   7  -8.721 -15.557  -1.694
   47   2HG   PRO   7          1HG       PRO   7  -9.726 -16.314  -2.939
   48   1HD   PRO   7          2HD       PRO   7  -7.346 -15.061  -3.446
   49   2HD   PRO   7          1HD       PRO   7  -8.648 -15.217  -4.635
   50    H    GLY   8           H        GLY   8  -7.403 -13.050  -1.686
   51   1HA   GLY   8          1HA       GLY   8  -8.201 -11.710   0.789
   52   2HA   GLY   8          2HA       GLY   8  -6.686 -12.563   0.517
   53    H    TRP   9           H        TRP   9  -8.051 -10.149  -1.666
   54    HA   TRP   9           HA       TRP   9  -5.943  -8.291  -0.789
   55   1HB   TRP   9          2HB       TRP   9  -6.830  -8.986  -3.580
   56   2HB   TRP   9          1HB       TRP   9  -5.965  -7.491  -3.222
   57    HD1  TRP   9           HD       TRP   9  -5.499 -11.293  -3.208
   58    HE1  TRP   9           1HE      TRP   9  -2.968 -11.816  -3.199
   59    HE3  TRP   9           3HE      TRP   9  -3.691  -6.538  -2.626
   60    HZ2  TRP   9           2HZ      TRP   9  -0.540 -10.388  -2.961
   61    HZ3  TRP   9           3HZ      TRP   9  -1.263  -6.212  -2.509
   62    HH2  TRP   9           HH       TRP   9   0.285  -8.095  -2.677
   63    H    GLU  10           H        GLU  10  -6.402  -6.073  -0.899
   64    HA   GLU  10           HA       GLU  10  -9.206  -5.349  -1.416
   65   1HB   GLU  10          2HB       GLU  10  -7.936  -5.444   1.119
   66   2HB   GLU  10          1HB       GLU  10  -8.147  -3.749   0.707
   67   1HG   GLU  10          2HG       GLU  10 -10.495  -4.025   0.469
   68   2HG   GLU  10          1HG       GLU  10 -10.361  -5.774   0.617
   69    H    GLU  11           H        GLU  11  -9.388  -3.608  -2.690
   70    HA   GLU  11           HA       GLU  11  -6.991  -2.076  -3.338
   71   1HB   GLU  11          2HB       GLU  11  -8.366  -2.912  -5.175
   72   2HB   GLU  11          1HB       GLU  11  -9.758  -2.048  -4.543
   73   1HG   GLU  11          2HG       GLU  11  -8.628   0.077  -4.951
   74   2HG   GLU  11          1HG       GLU  11  -7.227  -0.793  -5.575
   75    H    LYS  12           H        LYS  12  -6.564  -0.385  -2.108
   76    HA   LYS  12           HA       LYS  12  -8.808   1.246  -1.126
   77   1HB   LYS  12          2HB       LYS  12  -6.628  -0.064   0.445
   78   2HB   LYS  12          1HB       LYS  12  -7.234   1.499   0.974
   79   1HG   LYS  12          2HG       LYS  12  -9.123   0.625   1.772
   80   2HG   LYS  12          1HG       LYS  12  -9.335  -0.415   0.364
   81   1HD   LYS  12          2HD       LYS  12  -8.933  -2.047   1.880
   82   2HD   LYS  12          1HD       LYS  12  -7.256  -1.653   1.504
   83   1HE   LYS  12          2HE       LYS  12  -6.933  -0.528   3.483
   84   2HE   LYS  12          1HE       LYS  12  -8.645  -0.154   3.674
   85   1HZ   LYS  12          1HZ       LYS  12  -7.154  -2.403   4.631
   86   2HZ   LYS  12          2HZ       LYS  12  -8.543  -2.884   3.776
   87   3HZ   LYS  12          3HZ       LYS  12  -8.680  -1.837   5.107
   88    H    VAL  13           H        VAL  13  -8.485   3.410  -1.144
   89    HA   VAL  13           HA       VAL  13  -5.865   4.359  -2.045
   90    HB   VAL  13           HB       VAL  13  -8.615   5.442  -2.231
   91   1HG1  VAL  13          1HG1      VAL  13  -7.471   7.763  -2.650
   92   2HG1  VAL  13          2HG1      VAL  13  -7.988   7.294  -1.030
   93   3HG1  VAL  13          3HG1      VAL  13  -6.292   7.151  -1.490
   94   1HG2  VAL  13          1HG2      VAL  13  -6.855   4.546  -4.017
   95   2HG2  VAL  13          2HG2      VAL  13  -8.068   5.768  -4.402
   96   3HG2  VAL  13          3HG2      VAL  13  -6.416   6.257  -4.025
   97    H    ASP  14           H        ASP  14  -4.459   5.038  -0.596
   98    HA   ASP  14           HA       ASP  14  -5.209   5.455   2.143
   99   1HB   ASP  14          2HB       ASP  14  -2.948   4.571   1.093
  100   2HB   ASP  14          1HB       ASP  14  -2.535   6.277   1.090
  101    H    ASN  15           H        ASN  15  -4.014   7.539   3.157
  102    HA   ASN  15           HA       ASN  15  -5.889   9.517   2.858
  103   1HB   ASN  15          2HB       ASN  15  -4.111   9.154   4.696
  104   2HB   ASN  15          1HB       ASN  15  -3.092  10.201   3.713
  105   1HD2  ASN  15          1HD2      ASN  15  -3.033  11.859   5.203
  106   2HD2  ASN  15          2HD2      ASN  15  -4.419  12.834   5.567
  107    H    LEU  16           H        LEU  16  -2.861   9.246   1.075
  108    HA   LEU  16           HA       LEU  16  -3.363  11.879  -0.110
  109   1HB   LEU  16          2HB       LEU  16  -0.936  10.390   0.583
  110   2HB   LEU  16          1HB       LEU  16  -0.873  11.198  -0.974
  111    HG   LEU  16           HG       LEU  16  -1.943  13.023   0.940
  112   1HD1  LEU  16          1HD1      LEU  16   0.266  13.165   2.268
  113   2HD1  LEU  16          2HD1      LEU  16  -0.950  11.984   2.755
  114   3HD1  LEU  16          3HD1      LEU  16   0.457  11.469   1.823
  115   1HD2  LEU  16          1HD2      LEU  16  -0.592  13.313  -1.252
  116   2HD2  LEU  16          2HD2      LEU  16  -0.342  14.452   0.070
  117   3HD2  LEU  16          3HD2      LEU  16   0.820  13.152  -0.206
  118    H    GLY  17           H        GLY  17  -4.663   9.298  -0.952
  119   1HA   GLY  17          1HA       GLY  17  -5.616   8.797  -2.983
  120   2HA   GLY  17          2HA       GLY  17  -4.622  10.041  -3.716
  121    H    ARG  18           H        ARG  18  -2.962   7.604  -1.930
  122    HA   ARG  18           HA       ARG  18  -1.963   6.515  -4.443
  123   1HB   ARG  18          2HB       ARG  18  -0.894   5.308  -1.969
  124   2HB   ARG  18          1HB       ARG  18  -0.055   5.917  -3.382
  125   1HG   ARG  18          2HG       ARG  18   0.681   7.473  -1.978
  126   2HG   ARG  18          1HG       ARG  18  -0.871   8.244  -2.290
  127   1HD   ARG  18          2HD       ARG  18  -1.473   8.007  -0.158
  128   2HD   ARG  18          1HD       ARG  18  -1.083   6.287  -0.183
  129    HE   ARG  18           HE       ARG  18   1.350   7.418  -0.001
  130   1HH1  ARG  18          2HH1      ARG  18  -1.590   7.807   1.856
  131   2HH1  ARG  18          1HH1      ARG  18  -0.777   8.337   3.295
  132   1HH2  ARG  18          2HH2      ARG  18   2.433   8.114   1.895
  133   2HH2  ARG  18          1HH2      ARG  18   1.511   8.514   3.311
  134    H    THR  19           H        THR  19  -3.233   5.061  -5.301
  135    HA   THR  19           HA       THR  19  -5.021   3.419  -3.841
  136    HB   THR  19           HB       THR  19  -4.235   2.580  -6.571
  137    HG1  THR  19           1HG      THR  19  -4.573   4.459  -7.501
  138   1HG2  THR  19          1HG2      THR  19  -6.682   2.598  -6.882
  139   2HG2  THR  19          2HG2      THR  19  -6.874   3.255  -5.257
  140   3HG2  THR  19          3HG2      THR  19  -6.199   1.640  -5.481
  141    H    TYR  20           H        TYR  20  -4.071   2.021  -2.424
  142    HA   TYR  20           HA       TYR  20  -1.990   0.272  -3.503
  143   1HB   TYR  20          2HB       TYR  20  -1.268  -0.184  -1.263
  144   2HB   TYR  20          1HB       TYR  20  -1.386   1.556  -1.465
  145    HD1  TYR  20           1HD      TYR  20  -2.585  -1.345   0.330
  146    HD2  TYR  20           2HD      TYR  20  -3.252   2.797  -0.383
  147    HE1  TYR  20           1HE      TYR  20  -3.984  -1.226   2.333
  148    HE2  TYR  20           2HE      TYR  20  -4.644   2.930   1.633
  149    HH   TYR  20           HH       TYR  20  -4.894   1.667   3.790
  150    H    TYR  21           H        TYR  21  -2.007  -1.943  -2.645
  151    HA   TYR  21           HA       TYR  21  -4.749  -2.965  -2.499
  152   1HB   TYR  21          2HB       TYR  21  -2.479  -4.143  -4.142
  153   2HB   TYR  21          1HB       TYR  21  -4.082  -4.846  -3.959
  154    HD1  TYR  21           1HD      TYR  21  -2.323  -1.826  -5.275
  155    HD2  TYR  21           2HD      TYR  21  -5.840  -4.214  -5.390
  156    HE1  TYR  21           1HE      TYR  21  -3.176  -0.465  -7.130
  157    HE2  TYR  21           2HE      TYR  21  -6.695  -2.868  -7.251
  158    HH   TYR  21           HH       TYR  21  -6.446  -0.741  -8.246
  159    H    VAL  22           H        VAL  22  -4.925  -3.739  -0.537
  160    HA   VAL  22           HA       VAL  22  -2.519  -4.692   0.819
  161    HB   VAL  22           HB       VAL  22  -3.626  -3.063   2.110
  162   1HG1  VAL  22          1HG1      VAL  22  -5.742  -2.675   1.479
  163   2HG1  VAL  22          2HG1      VAL  22  -6.072  -4.377   1.160
  164   3HG1  VAL  22          3HG1      VAL  22  -6.126  -3.763   2.813
  165   1HG2  VAL  22          1HG2      VAL  22  -4.000  -5.856   3.078
  166   2HG2  VAL  22          2HG2      VAL  22  -2.919  -4.594   3.667
  167   3HG2  VAL  22          3HG2      VAL  22  -4.641  -4.522   4.039
  168    H    ASN  23           H        ASN  23  -2.104  -6.734   0.812
  169    HA   ASN  23           HA       ASN  23  -4.050  -8.765   0.353
  170   1HB   ASN  23          2HB       ASN  23  -1.696  -9.050  -0.274
  171   2HB   ASN  23          1HB       ASN  23  -1.220  -8.937   1.413
  172   1HD2  ASN  23          1HD2      ASN  23  -2.837 -10.899  -0.978
  173   2HD2  ASN  23          2HD2      ASN  23  -2.721 -12.392  -0.103
  174    H    HIS  24           H        HIS  24  -5.022 -10.138   1.864
  175    HA   HIS  24           HA       HIS  24  -5.115  -9.012   4.572
  176   1HB   HIS  24          2HB       HIS  24  -7.020 -10.510   2.846
  177   2HB   HIS  24          1HB       HIS  24  -7.151 -10.749   4.585
  178    HD1  HIS  24           1HD      HIS  24  -9.426  -9.547   4.684
  179    HD2  HIS  24           2HD      HIS  24  -6.337  -7.178   3.218
  180    HE1  HIS  24           1HE      HIS  24 -10.310  -7.194   4.698
  181    HE2  HIS  24           2HE      HIS  24  -8.483  -5.798   3.672
  182    H    ASN  25           H        ASN  25  -3.538 -11.437   3.027
  183    HA   ASN  25           HA       ASN  25  -3.774 -13.388   5.196
  184   1HB   ASN  25          2HB       ASN  25  -3.362 -13.565   2.374
  185   2HB   ASN  25          1HB       ASN  25  -1.944 -14.233   3.175
  186   1HD2  ASN  25          1HD2      ASN  25  -5.235 -14.663   2.392
  187   2HD2  ASN  25          2HD2      ASN  25  -5.447 -16.216   3.124
  188    H    ASN  26           H        ASN  26  -1.041 -12.327   3.188
  189    HA   ASN  26           HA       ASN  26   0.791 -12.444   5.433
  190   1HB   ASN  26          2HB       ASN  26   1.487 -13.181   3.177
  191   2HB   ASN  26          1HB       ASN  26   1.196 -11.562   2.559
  192   1HD2  ASN  26          1HD2      ASN  26   3.385 -13.643   4.175
  193   2HD2  ASN  26          2HD2      ASN  26   4.680 -12.495   4.336
  194    H    ARG  27           H        ARG  27  -1.234 -10.210   3.905
  195    HA   ARG  27           HA       ARG  27  -1.810  -8.084   4.347
  196   1HB   ARG  27          2HB       ARG  27   0.184  -8.130   6.613
  197   2HB   ARG  27          1HB       ARG  27  -1.127  -6.976   6.372
  198   1HG   ARG  27          2HG       ARG  27  -1.881  -9.828   6.511
  199   2HG   ARG  27          1HG       ARG  27  -1.319  -9.073   8.003
  200   1HD   ARG  27          2HD       ARG  27  -3.503  -7.976   6.240
  201   2HD   ARG  27          1HD       ARG  27  -3.776  -8.940   7.690
  202    HE   ARG  27           HE       ARG  27  -2.183  -6.520   7.998
  203   1HH1  ARG  27          2HH1      ARG  27  -5.309  -8.075   8.344
  204   2HH1  ARG  27          1HH1      ARG  27  -5.906  -6.888   9.471
  205   1HH2  ARG  27          2HH2      ARG  27  -2.958  -4.987   9.469
  206   2HH2  ARG  27          1HH2      ARG  27  -4.553  -5.147  10.132
  207    H    SER  28           H        SER  28   0.295  -8.730   2.500
  208    HA   SER  28           HA       SER  28   2.239  -6.693   2.493
  209   1HB   SER  28          2HB       SER  28   1.313  -7.489  -0.153
  210   2HB   SER  28          1HB       SER  28   2.885  -7.748   0.607
  211    HG   SER  28           HG       SER  28   2.249  -9.759   0.656
  212    H    THR  29           H        THR  29   1.886  -4.580   2.383
  213    HA   THR  29           HA       THR  29  -0.602  -3.616   1.134
  214    HB   THR  29           HB       THR  29   0.603  -1.533   2.618
  215    HG1  THR  29           1HG      THR  29   0.711  -4.086   3.864
  216   1HG2  THR  29          1HG2      THR  29  -1.800  -3.291   3.008
  217   2HG2  THR  29          2HG2      THR  29  -1.735  -1.630   2.416
  218   3HG2  THR  29          3HG2      THR  29  -1.415  -1.973   4.116
  219    H    GLN  30           H        GLN  30   0.349  -3.685  -0.947
  220    HA   GLN  30           HA       GLN  30   2.608  -1.858  -1.400
  221   1HB   GLN  30          2HB       GLN  30   2.640  -3.150  -3.678
  222   2HB   GLN  30          1HB       GLN  30   3.350  -3.878  -2.248
  223   1HG   GLN  30          2HG       GLN  30   2.143  -5.662  -2.826
  224   2HG   GLN  30          1HG       GLN  30   0.803  -4.795  -2.092
  225   1HE2  GLN  30          1HE2      GLN  30   1.554  -6.546  -4.627
  226   2HE2  GLN  30          2HE2      GLN  30   0.522  -5.855  -5.827
  227    H    TRP  31           H        TRP  31   2.542  -0.480  -3.273
  228    HA   TRP  31           HA       TRP  31  -0.192   0.111  -4.140
  229   1HB   TRP  31          2HB       TRP  31   1.864   2.145  -4.681
  230   2HB   TRP  31          1HB       TRP  31   0.247   2.320  -4.036
  231    HD1  TRP  31           HD       TRP  31   3.693   1.170  -2.744
  232    HE1  TRP  31           1HE      TRP  31   3.953   1.905  -0.298
  233    HE3  TRP  31           3HE      TRP  31  -0.863   3.337  -2.121
  234    HZ2  TRP  31           2HZ      TRP  31   2.416   3.274   1.631
  235    HZ3  TRP  31           3HZ      TRP  31  -1.383   4.371   0.046
  236    HH2  TRP  31           HH       TRP  31   0.217   4.334   1.888
  237    H    HIS  32           H        HIS  32   1.484  -1.977  -5.345
  238    HA   HIS  32           HA       HIS  32   1.672  -0.749  -8.022
  239   1HB   HIS  32          2HB       HIS  32   3.384  -2.550  -8.578
  240   2HB   HIS  32          1HB       HIS  32   3.917  -1.229  -7.550
  241    HD1  HIS  32           1HD      HIS  32   2.811  -4.865  -7.239
  242    HD2  HIS  32           2HD      HIS  32   5.101  -2.017  -5.254
  243    HE1  HIS  32           1HE      HIS  32   3.946  -6.091  -5.354
  244    HE2  HIS  32           2HE      HIS  32   5.519  -4.401  -4.344
  245    H    ARG  33           H        ARG  33  -0.136  -2.723  -6.240
  246    HA   ARG  33           HA       ARG  33  -1.822  -4.162  -6.712
  247   1HB   ARG  33          2HB       ARG  33  -1.868  -2.637  -8.841
  248   2HB   ARG  33          1HB       ARG  33  -1.230  -4.064  -9.646
  249   1HG   ARG  33          2HG       ARG  33  -3.204  -5.324  -8.718
  250   2HG   ARG  33          1HG       ARG  33  -3.859  -3.760  -8.224
  251   1HD   ARG  33          2HD       ARG  33  -3.184  -3.256 -10.787
  252   2HD   ARG  33          1HD       ARG  33  -3.631  -4.955 -10.891
  253    HE   ARG  33           HE       ARG  33  -5.807  -4.305  -9.923
  254   1HH1  ARG  33          2HH1      ARG  33  -3.819  -1.916 -11.544
  255   2HH1  ARG  33          1HH1      ARG  33  -5.147  -0.837 -11.863
  256   1HH2  ARG  33          2HH2      ARG  33  -7.561  -2.898 -10.346
  257   2HH2  ARG  33          1HH2      ARG  33  -7.279  -1.391 -11.164
  258    HA   PRO  34           HA       PRO  34   0.390  -7.979  -6.738
  259   1HB   PRO  34          2HB       PRO  34  -1.747  -9.672  -6.692
  260   2HB   PRO  34          1HB       PRO  34  -1.165  -8.791  -5.277
  261   1HG   PRO  34          2HG       PRO  34  -3.442  -8.146  -7.105
  262   2HG   PRO  34          1HG       PRO  34  -3.361  -8.041  -5.339
  263   1HD   PRO  34          2HD       PRO  34  -3.111  -5.872  -6.919
  264   2HD   PRO  34          1HD       PRO  34  -2.234  -6.029  -5.384
  265    H    SER  35           H        SER  35   1.261  -7.820  -8.854
  266    HA   SER  35           HA       SER  35  -0.261  -9.079 -10.999
  267   1HB   SER  35          2HB       SER  35   2.368  -8.570 -11.864
  268   2HB   SER  35          1HB       SER  35   0.928  -7.612 -12.220
  269    HG   SER  35           HG       SER  35   1.432  -6.214 -10.659
  270    H    LEU  36           H        LEU  36   1.315 -10.589 -12.387
  271    HA   LEU  36           HA       LEU  36   2.052 -12.776 -10.649
  272   1HB   LEU  36          2HB       LEU  36   1.077 -12.672 -13.180
  273   2HB   LEU  36          1HB       LEU  36   2.786 -12.881 -13.508
  274    HG   LEU  36           HG       LEU  36   2.678 -14.877 -11.912
  275   1HD1  LEU  36          1HD1      LEU  36  -0.263 -14.641 -12.513
  276   2HD1  LEU  36          2HD1      LEU  36   0.540 -15.910 -11.587
  277   3HD1  LEU  36          3HD1      LEU  36   0.477 -14.266 -10.956
  278   1HD2  LEU  36          1HD2      LEU  36   2.077 -14.582 -14.676
  279   2HD2  LEU  36          2HD2      LEU  36   2.832 -15.943 -13.847
  280   3HD2  LEU  36          3HD2      LEU  36   1.077 -15.877 -14.019
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1  -7.929  -8.722 -21.237
    2   2H    GLY   1          2H        GLY   1  -8.841  -7.419 -21.826
    3   3H    GLY   1          3H        GLY   1  -9.503  -8.980 -21.804
    4   1HA   GLY   1          2HA       GLY   1 -10.148  -7.278 -19.975
    5   2HA   GLY   1          1HA       GLY   1  -9.897  -8.972 -19.576
    6    H    SER   2           H        SER   2  -9.569  -6.474 -17.968
    7    HA   SER   2           HA       SER   2  -6.757  -6.297 -17.420
    8   1HB   SER   2          2HB       SER   2  -8.553  -5.359 -15.309
    9   2HB   SER   2          1HB       SER   2  -7.351  -4.462 -16.242
   10    HG   SER   2           HG       SER   2  -9.390  -3.657 -16.724
   11    HA   PRO   3           HA       PRO   3  -6.389  -9.821 -14.757
   12   1HB   PRO   3          2HB       PRO   3  -4.357  -8.270 -13.280
   13   2HB   PRO   3          1HB       PRO   3  -4.188  -9.799 -14.148
   14   1HG   PRO   3          2HG       PRO   3  -3.152  -7.529 -15.117
   15   2HG   PRO   3          1HG       PRO   3  -3.858  -8.757 -16.188
   16   1HD   PRO   3          2HD       PRO   3  -5.037  -6.170 -15.234
   17   2HD   PRO   3          1HD       PRO   3  -5.104  -6.912 -16.846
   18    HA   PRO   4           HA       PRO   4  -8.999  -8.271 -11.428
   19   1HB   PRO   4          2HB       PRO   4  -9.851 -10.709 -10.585
   20   2HB   PRO   4          1HB       PRO   4 -10.520  -9.896 -12.004
   21   1HG   PRO   4          2HG       PRO   4  -8.470 -12.069 -11.857
   22   2HG   PRO   4          1HG       PRO   4  -9.831 -11.886 -12.979
   23   1HD   PRO   4          2HD       PRO   4  -7.276 -11.251 -13.646
   24   2HD   PRO   4          1HD       PRO   4  -8.684 -10.408 -14.324
   25    H    LEU   5           H        LEU   5  -8.907  -8.270  -9.166
   26    HA   LEU   5           HA       LEU   5  -6.336  -8.798  -8.059
   27   1HB   LEU   5          2HB       LEU   5  -8.429  -7.127  -7.447
   28   2HB   LEU   5          1HB       LEU   5  -8.513  -8.317  -6.160
   29    HG   LEU   5           HG       LEU   5  -6.198  -7.841  -5.540
   30   1HD1  LEU   5          1HD1      LEU   5  -5.531  -7.191  -7.902
   31   2HD1  LEU   5          2HD1      LEU   5  -6.206  -5.602  -7.542
   32   3HD1  LEU   5          3HD1      LEU   5  -4.856  -6.222  -6.591
   33   1HD2  LEU   5          1HD2      LEU   5  -6.531  -5.617  -4.640
   34   2HD2  LEU   5          2HD2      LEU   5  -7.840  -5.325  -5.786
   35   3HD2  LEU   5          3HD2      LEU   5  -8.024  -6.548  -4.528
   36    HA   PRO   6           HA       PRO   6  -7.091 -12.997  -6.745
   37   1HB   PRO   6          2HB       PRO   6  -4.783 -12.595  -4.967
   38   2HB   PRO   6          1HB       PRO   6  -4.973 -13.716  -6.317
   39   1HG   PRO   6          2HG       PRO   6  -3.347 -11.590  -6.480
   40   2HG   PRO   6          1HG       PRO   6  -4.272 -12.168  -7.878
   41   1HD   PRO   6          2HD       PRO   6  -4.854  -9.863  -6.047
   42   2HD   PRO   6          1HD       PRO   6  -4.966  -9.950  -7.820
   43    HA   PRO   7           HA       PRO   7  -9.281 -12.709  -2.911
   44   1HB   PRO   7          2HB       PRO   7  -8.346 -15.450  -2.322
   45   2HB   PRO   7          1HB       PRO   7  -9.992 -14.837  -2.510
   46   1HG   PRO   7          2HG       PRO   7  -8.873 -16.373  -4.385
   47   2HG   PRO   7          1HG       PRO   7  -9.938 -15.022  -4.820
   48   1HD   PRO   7          2HD       PRO   7  -6.945 -15.166  -4.864
   49   2HD   PRO   7          1HD       PRO   7  -8.050 -14.451  -6.056
   50    H    GLY   8           H        GLY   8  -8.738 -11.818  -1.037
   51   1HA   GLY   8          1HA       GLY   8  -7.516 -11.789   1.036
   52   2HA   GLY   8          2HA       GLY   8  -6.164 -12.560   0.203
   53    H    TRP   9           H        TRP   9  -7.283 -10.393  -1.926
   54    HA   TRP   9           HA       TRP   9  -5.462  -8.290  -0.980
   55   1HB   TRP   9          2HB       TRP   9  -6.320  -9.177  -3.722
   56   2HB   TRP   9          1HB       TRP   9  -5.618  -7.585  -3.459
   57    HD1  TRP   9           HD       TRP   9  -4.692 -11.224  -3.809
   58    HE1  TRP   9           1HE      TRP   9  -2.127 -11.459  -3.720
   59    HE3  TRP   9           3HE      TRP   9  -3.519  -6.495  -2.314
   60    HZ2  TRP   9           2HZ      TRP   9   0.108  -9.808  -3.090
   61    HZ3  TRP   9           3HZ      TRP   9  -1.164  -5.906  -1.995
   62    HH2  TRP   9           HH       TRP   9   0.615  -7.528  -2.367
   63    H    GLU  10           H        GLU  10  -6.140  -6.119  -1.007
   64    HA   GLU  10           HA       GLU  10  -8.987  -5.664  -1.600
   65   1HB   GLU  10          2HB       GLU  10  -8.217  -5.978   0.912
   66   2HB   GLU  10          1HB       GLU  10  -7.732  -4.299   0.733
   67   1HG   GLU  10          2HG       GLU  10  -9.994  -3.680   0.147
   68   2HG   GLU  10          1HG       GLU  10 -10.496  -5.370   0.236
   69    H    GLU  11           H        GLU  11  -9.273  -3.977  -2.914
   70    HA   GLU  11           HA       GLU  11  -7.123  -2.169  -3.523
   71   1HB   GLU  11          2HB       GLU  11  -8.803  -2.924  -5.211
   72   2HB   GLU  11          1HB       GLU  11 -10.023  -1.996  -4.352
   73   1HG   GLU  11          2HG       GLU  11  -8.780   0.057  -4.788
   74   2HG   GLU  11          1HG       GLU  11  -7.551  -0.870  -5.647
   75    H    LYS  12           H        LYS  12  -6.610  -0.538  -2.255
   76    HA   LYS  12           HA       LYS  12  -8.738   0.893  -0.823
   77   1HB   LYS  12          2HB       LYS  12  -6.691  -0.758   0.325
   78   2HB   LYS  12          1HB       LYS  12  -6.415   0.913   0.799
   79   1HG   LYS  12          2HG       LYS  12  -8.946   0.885   1.367
   80   2HG   LYS  12          1HG       LYS  12  -8.727  -0.866   1.393
   81   1HD   LYS  12          2HD       LYS  12  -6.616   0.481   2.837
   82   2HD   LYS  12          1HD       LYS  12  -8.205   0.920   3.469
   83   1HE   LYS  12          2HE       LYS  12  -7.188  -1.889   3.056
   84   2HE   LYS  12          1HE       LYS  12  -7.263  -1.049   4.602
   85   1HZ   LYS  12          1HZ       LYS  12  -9.234  -2.585   3.418
   86   2HZ   LYS  12          2HZ       LYS  12  -9.792  -0.985   3.324
   87   3HZ   LYS  12          3HZ       LYS  12  -9.369  -1.650   4.824
   88    H    VAL  13           H        VAL  13  -8.564   3.086  -0.966
   89    HA   VAL  13           HA       VAL  13  -6.049   4.230  -1.894
   90    HB   VAL  13           HB       VAL  13  -8.813   5.297  -1.527
   91   1HG1  VAL  13          1HG1      VAL  13  -6.871   7.437  -1.930
   92   2HG1  VAL  13          2HG1      VAL  13  -8.307   7.388  -0.907
   93   3HG1  VAL  13          3HG1      VAL  13  -6.786   6.710  -0.325
   94   1HG2  VAL  13          1HG2      VAL  13  -7.358   4.612  -3.681
   95   2HG2  VAL  13          2HG2      VAL  13  -8.651   5.811  -3.721
   96   3HG2  VAL  13          3HG2      VAL  13  -6.970   6.332  -3.583
   97    H    ASP  14           H        ASP  14  -4.499   4.757  -0.528
   98    HA   ASP  14           HA       ASP  14  -4.912   4.574   2.300
   99   1HB   ASP  14          2HB       ASP  14  -2.816   3.877   1.066
  100   2HB   ASP  14          1HB       ASP  14  -2.443   5.589   0.895
  101    H    ASN  15           H        ASN  15  -2.711   7.056   1.688
  102    HA   ASN  15           HA       ASN  15  -4.367   8.906   3.134
  103   1HB   ASN  15          2HB       ASN  15  -1.805   8.525   3.328
  104   2HB   ASN  15          1HB       ASN  15  -1.707   9.617   1.951
  105   1HD2  ASN  15          1HD2      ASN  15  -2.002  11.756   2.245
  106   2HD2  ASN  15          2HD2      ASN  15  -2.267  12.496   3.788
  107    H    LEU  16           H        LEU  16  -5.896   8.730   1.175
  108    HA   LEU  16           HA       LEU  16  -7.163  10.032  -0.169
  109   1HB   LEU  16          2HB       LEU  16  -5.155  12.226   0.297
  110   2HB   LEU  16          1HB       LEU  16  -6.821  12.403  -0.221
  111    HG   LEU  16           HG       LEU  16  -6.484  11.030   2.357
  112   1HD1  LEU  16          1HD1      LEU  16  -5.683  13.906   1.989
  113   2HD1  LEU  16          2HD1      LEU  16  -6.106  13.191   3.544
  114   3HD1  LEU  16          3HD1      LEU  16  -4.706  12.597   2.649
  115   1HD2  LEU  16          1HD2      LEU  16  -8.565  12.037   1.048
  116   2HD2  LEU  16          2HD2      LEU  16  -8.498  11.978   2.809
  117   3HD2  LEU  16          3HD2      LEU  16  -8.108  13.475   1.961
  118    H    GLY  17           H        GLY  17  -4.184   8.998  -1.130
  119   1HA   GLY  17          1HA       GLY  17  -4.827   9.396  -3.879
  120   2HA   GLY  17          2HA       GLY  17  -3.567  10.499  -3.377
  121    H    ARG  18           H        ARG  18  -3.694   7.339  -1.940
  122    HA   ARG  18           HA       ARG  18  -1.838   6.344  -3.979
  123   1HB   ARG  18          2HB       ARG  18  -1.191   4.910  -1.655
  124   2HB   ARG  18          1HB       ARG  18  -0.202   6.093  -2.489
  125   1HG   ARG  18          2HG       ARG  18  -1.998   7.543  -0.861
  126   2HG   ARG  18          1HG       ARG  18  -1.339   6.233   0.122
  127   1HD   ARG  18          2HD       ARG  18   0.917   7.028  -1.027
  128   2HD   ARG  18          1HD       ARG  18   0.029   8.545  -1.144
  129    HE   ARG  18           HE       ARG  18   0.459   7.148   1.422
  130   1HH1  ARG  18          2HH1      ARG  18   0.427  10.048  -0.537
  131   2HH1  ARG  18          1HH1      ARG  18   0.859  11.104   0.780
  132   1HH2  ARG  18          2HH2      ARG  18   1.039   8.522   3.164
  133   2HH2  ARG  18          1HH2      ARG  18   1.231  10.231   2.884
  134    H    THR  19           H        THR  19  -3.425   5.291  -5.043
  135    HA   THR  19           HA       THR  19  -5.259   3.519  -3.724
  136    HB   THR  19           HB       THR  19  -4.718   3.191  -6.625
  137    HG1  THR  19           1HG      THR  19  -5.796   5.142  -7.113
  138   1HG2  THR  19          1HG2      THR  19  -7.390   3.798  -5.483
  139   2HG2  THR  19          2HG2      THR  19  -6.641   2.266  -5.031
  140   3HG2  THR  19          3HG2      THR  19  -6.931   2.641  -6.731
  141    H    TYR  20           H        TYR  20  -4.237   1.926  -2.646
  142    HA   TYR  20           HA       TYR  20  -2.336   0.306  -4.192
  143   1HB   TYR  20          2HB       TYR  20  -1.174  -0.243  -2.178
  144   2HB   TYR  20          1HB       TYR  20  -1.325   1.501  -2.263
  145    HD1  TYR  20           1HD      TYR  20  -3.509   2.423  -0.977
  146    HD2  TYR  20           2HD      TYR  20  -1.535  -1.251  -0.153
  147    HE1  TYR  20           1HE      TYR  20  -4.432   2.444   1.300
  148    HE2  TYR  20           2HE      TYR  20  -2.453  -1.236   2.124
  149    HH   TYR  20           HH       TYR  20  -3.811   1.463   3.546
  150    H    TYR  21           H        TYR  21  -2.125  -1.918  -3.128
  151    HA   TYR  21           HA       TYR  21  -4.824  -2.948  -2.628
  152   1HB   TYR  21          2HB       TYR  21  -2.650  -4.331  -4.227
  153   2HB   TYR  21          1HB       TYR  21  -4.307  -4.890  -3.987
  154    HD1  TYR  21           1HD      TYR  21  -2.155  -2.593  -5.842
  155    HD2  TYR  21           2HD      TYR  21  -6.175  -3.755  -5.106
  156    HE1  TYR  21           1HE      TYR  21  -2.874  -1.318  -7.810
  157    HE2  TYR  21           2HE      TYR  21  -6.906  -2.498  -7.086
  158    HH   TYR  21           HH       TYR  21  -5.210  -0.160  -8.504
  159    H    VAL  22           H        VAL  22  -4.961  -3.803  -0.715
  160    HA   VAL  22           HA       VAL  22  -2.464  -4.515   0.656
  161    HB   VAL  22           HB       VAL  22  -3.500  -2.758   1.816
  162   1HG1  VAL  22          1HG1      VAL  22  -5.666  -2.754   0.804
  163   2HG1  VAL  22          2HG1      VAL  22  -6.086  -4.268   1.610
  164   3HG1  VAL  22          3HG1      VAL  22  -5.846  -2.801   2.559
  165   1HG2  VAL  22          1HG2      VAL  22  -4.714  -4.566   3.668
  166   2HG2  VAL  22          2HG2      VAL  22  -3.236  -5.276   3.015
  167   3HG2  VAL  22          3HG2      VAL  22  -3.187  -3.694   3.797
  168    H    ASN  23           H        ASN  23  -2.074  -6.570   0.915
  169    HA   ASN  23           HA       ASN  23  -4.104  -8.568   0.644
  170   1HB   ASN  23          2HB       ASN  23  -1.583  -8.782   0.114
  171   2HB   ASN  23          1HB       ASN  23  -1.382  -9.030   1.844
  172   1HD2  ASN  23          1HD2      ASN  23  -2.186 -10.451  -1.117
  173   2HD2  ASN  23          2HD2      ASN  23  -2.628 -12.014  -0.521
  174    H    HIS  24           H        HIS  24  -5.013  -9.844   2.286
  175    HA   HIS  24           HA       HIS  24  -4.912  -8.567   4.928
  176   1HB   HIS  24          2HB       HIS  24  -6.985 -10.135   3.453
  177   2HB   HIS  24          1HB       HIS  24  -7.016 -10.134   5.215
  178    HD1  HIS  24           1HD      HIS  24  -9.092  -8.722   5.505
  179    HD2  HIS  24           2HD      HIS  24  -6.191  -6.905   3.142
  180    HE1  HIS  24           1HE      HIS  24  -9.876  -6.356   5.174
  181    HE2  HIS  24           2HE      HIS  24  -8.216  -5.327   3.587
  182    H    ASN  25           H        ASN  25  -4.307 -11.574   3.290
  183    HA   ASN  25           HA       ASN  25  -4.043 -13.054   5.761
  184   1HB   ASN  25          2HB       ASN  25  -4.429 -14.820   4.455
  185   2HB   ASN  25          1HB       ASN  25  -4.583 -13.720   3.095
  186   1HD2  ASN  25          1HD2      ASN  25  -3.402 -14.170   1.440
  187   2HD2  ASN  25          2HD2      ASN  25  -1.894 -15.021   1.434
  188    H    ASN  26           H        ASN  26  -1.856 -11.879   3.208
  189    HA   ASN  26           HA       ASN  26   0.419 -12.510   4.953
  190   1HB   ASN  26          2HB       ASN  26   0.229 -13.011   2.362
  191   2HB   ASN  26          1HB       ASN  26   0.762 -11.338   2.225
  192   1HD2  ASN  26          1HD2      ASN  26   2.855 -11.220   1.886
  193   2HD2  ASN  26          2HD2      ASN  26   4.064 -12.228   2.602
  194    H    ARG  27           H        ARG  27  -1.630 -10.026   4.172
  195    HA   ARG  27           HA       ARG  27  -1.738  -7.813   4.533
  196   1HB   ARG  27          2HB       ARG  27   0.479  -7.801   6.506
  197   2HB   ARG  27          1HB       ARG  27  -1.128  -7.087   6.587
  198   1HG   ARG  27          2HG       ARG  27  -1.539  -9.852   6.570
  199   2HG   ARG  27          1HG       ARG  27  -0.186  -9.570   7.667
  200   1HD   ARG  27          2HD       ARG  27  -1.495  -8.607   9.204
  201   2HD   ARG  27          1HD       ARG  27  -2.349  -7.647   7.994
  202    HE   ARG  27           HE       ARG  27  -3.748  -9.618   7.579
  203   1HH1  ARG  27          2HH1      ARG  27  -1.872  -9.569  10.538
  204   2HH1  ARG  27          1HH1      ARG  27  -2.970 -10.613  11.390
  205   1HH2  ARG  27          2HH2      ARG  27  -5.178 -11.007   8.699
  206   2HH2  ARG  27          1HH2      ARG  27  -4.826 -11.447  10.344
  207    H    SER  28           H        SER  28   0.308  -8.835   2.584
  208    HA   SER  28           HA       SER  28   2.360  -6.941   2.374
  209   1HB   SER  28          2HB       SER  28   0.888  -8.150   0.030
  210   2HB   SER  28          1HB       SER  28   2.584  -7.671   0.123
  211    HG   SER  28           HG       SER  28   3.065  -9.508   1.028
  212    H    THR  29           H        THR  29   2.288  -4.824   1.993
  213    HA   THR  29           HA       THR  29  -0.298  -3.693   1.135
  214    HB   THR  29           HB       THR  29   1.143  -1.719   2.530
  215    HG1  THR  29           1HG      THR  29   1.191  -4.264   3.832
  216   1HG2  THR  29          1HG2      THR  29  -0.894  -1.442   3.389
  217   2HG2  THR  29          2HG2      THR  29  -0.811  -3.007   4.197
  218   3HG2  THR  29          3HG2      THR  29  -1.405  -2.900   2.539
  219    H    GLN  30           H        GLN  30   0.659  -3.922  -1.068
  220    HA   GLN  30           HA       GLN  30   2.733  -1.920  -1.628
  221   1HB   GLN  30          2HB       GLN  30   2.897  -3.105  -3.856
  222   2HB   GLN  30          1HB       GLN  30   3.430  -4.021  -2.453
  223   1HG   GLN  30          2HG       GLN  30   1.171  -5.072  -2.424
  224   2HG   GLN  30          1HG       GLN  30   0.857  -4.331  -3.973
  225   1HE2  GLN  30          1HE2      GLN  30   1.888  -5.058  -5.781
  226   2HE2  GLN  30          2HE2      GLN  30   2.788  -6.531  -5.836
  227    H    TRP  31           H        TRP  31   2.387  -0.264  -2.932
  228    HA   TRP  31           HA       TRP  31  -0.312   0.135  -3.965
  229   1HB   TRP  31          2HB       TRP  31   1.383   2.409  -4.448
  230   2HB   TRP  31          1HB       TRP  31  -0.043   2.295  -3.432
  231    HD1  TRP  31           HD       TRP  31   3.729   1.527  -3.143
  232    HE1  TRP  31           1HE      TRP  31   4.498   2.040  -0.741
  233    HE3  TRP  31           3HE      TRP  31  -0.762   2.930  -1.153
  234    HZ2  TRP  31           2HZ      TRP  31   3.340   2.938   1.664
  235    HZ3  TRP  31           3HZ      TRP  31  -0.840   3.602   1.202
  236    HH2  TRP  31           HH       TRP  31   1.168   3.610   2.580
  237    H    HIS  32           H        HIS  32   1.938  -1.590  -5.125
  238    HA   HIS  32           HA       HIS  32   2.046  -0.266  -7.756
  239   1HB   HIS  32          2HB       HIS  32   4.129  -1.249  -8.233
  240   2HB   HIS  32          1HB       HIS  32   4.258  -0.667  -6.586
  241    HD1  HIS  32           1HD      HIS  32   4.817  -2.362  -4.788
  242    HD2  HIS  32           2HD      HIS  32   4.098  -4.076  -8.515
  243    HE1  HIS  32           1HE      HIS  32   5.615  -4.746  -4.610
  244    HE2  HIS  32           2HE      HIS  32   5.323  -5.712  -6.921
  245    H    ARG  33           H        ARG  33   0.247  -2.385  -6.296
  246    HA   ARG  33           HA       ARG  33  -1.232  -3.955  -6.986
  247   1HB   ARG  33          2HB       ARG  33  -0.987  -2.445  -9.169
  248   2HB   ARG  33          1HB       ARG  33  -0.311  -3.939  -9.808
  249   1HG   ARG  33          2HG       ARG  33  -2.419  -5.065  -8.915
  250   2HG   ARG  33          1HG       ARG  33  -3.068  -3.433  -8.753
  251   1HD   ARG  33          2HD       ARG  33  -3.778  -4.263 -10.855
  252   2HD   ARG  33          1HD       ARG  33  -2.514  -3.074 -11.166
  253    HE   ARG  33           HE       ARG  33  -1.171  -4.741 -12.002
  254   1HH1  ARG  33          2HH1      ARG  33  -4.006  -6.146 -10.509
  255   2HH1  ARG  33          1HH1      ARG  33  -3.582  -7.782 -10.922
  256   1HH2  ARG  33          2HH2      ARG  33  -0.615  -6.877 -12.593
  257   2HH2  ARG  33          1HH2      ARG  33  -1.648  -8.198 -12.112
  258    HA   PRO  34           HA       PRO  34   1.298  -7.600  -6.794
  259   1HB   PRO  34          2HB       PRO  34  -0.783  -9.378  -6.656
  260   2HB   PRO  34          1HB       PRO  34  -0.144  -8.488  -5.273
  261   1HG   PRO  34          2HG       PRO  34  -2.588  -7.971  -6.887
  262   2HG   PRO  34          1HG       PRO  34  -2.314  -7.733  -5.159
  263   1HD   PRO  34          2HD       PRO  34  -2.316  -5.712  -6.991
  264   2HD   PRO  34          1HD       PRO  34  -1.415  -5.657  -5.465
  265    H    SER  35           H        SER  35   2.205  -7.723  -8.794
  266    HA   SER  35           HA       SER  35   0.584  -8.589 -11.055
  267   1HB   SER  35          2HB       SER  35   3.449  -8.227 -11.527
  268   2HB   SER  35          1HB       SER  35   2.073  -7.485 -12.343
  269    HG   SER  35           HG       SER  35   1.946  -6.213 -10.244
  270    H    LEU  36           H        LEU  36   0.194 -10.736 -10.460
  271    HA   LEU  36           HA       LEU  36   2.445 -12.517 -10.019
  272   1HB   LEU  36          2HB       LEU  36  -0.358 -12.544  -9.442
  273   2HB   LEU  36          1HB       LEU  36   0.034 -13.966 -10.389
  274    HG   LEU  36           HG       LEU  36   2.022 -13.740  -8.388
  275   1HD1  LEU  36          1HD1      LEU  36   0.467 -14.007  -6.393
  276   2HD1  LEU  36          2HD1      LEU  36   0.693 -12.373  -7.014
  277   3HD1  LEU  36          3HD1      LEU  36  -0.775 -13.266  -7.400
  278   1HD2  LEU  36          1HD2      LEU  36   0.583 -15.812  -7.571
  279   2HD2  LEU  36          2HD2      LEU  36  -0.152 -15.605  -9.163
  280   3HD2  LEU  36          3HD2      LEU  36   1.586 -15.880  -9.022