*HEADER    ANTIMICROBIAL PROTEIN                   25-JUN-04   1TV0              
*TITLE     SOLUTION STRUCTURE OF CRYPTDIN-4, THE MOST POTENT ALPHA-              
*TITLE    2 DEFENSIN FROM MOUSE PANETH CELLS                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CRYPTDIN-4;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 GENE: DEFCR4;                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_CELL_LINE: BL21(DE3)-CODON-PLUS-RIL;               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-28A                                    
*KEYWDS    BETA SHEET, BETA HAIRPIN                                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    W.JING, H.N.HUNTER, H.TANABE, A.J.OUELLETTE, H.J.VOGEL                
*REVDAT   1   04-JAN-05 1TV0    0                                                

 ASSI {    1}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      3.500     1.500     1.500 peak     1 weight  0.11000E+01 volume  0.45291E-02 ppm1      9.903 ppm2      1.414 CV     1
 OR {    1}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {    1}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.500     1.600     1.600 peak     1 weight  0.11000E+01 volume  0.48715E-02 ppm1      9.901 ppm2      1.649 CV     1
 ASSI {    2}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.500     0.800     0.800 peak     2 weight  0.11000E+01 volume  0.68296E-02 ppm1      9.902 ppm2      1.742 CV     1
 ASSI {    3}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.300     3.500     0.700 peak     3 weight  0.11000E+01 volume  0.91771E-03 ppm1      9.899 ppm2      2.843 CV     1
 ASSI {    4}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.500     2.500     1.500 peak     4 weight  0.11000E+01 volume  0.22924E-02 ppm1      9.900 ppm2      2.936 CV     1
 ASSI {    5}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.700     1.700     1.700 peak     5 weight  0.11000E+01 volume  0.37752E-02 ppm1      9.902 ppm2      3.040 CV     1
 ASSI {    6}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD1 ))
      4.600     2.600     1.400 peak     6 weight  0.11000E+01 volume  0.12673E-02 ppm1      9.903 ppm2      3.224 CV     1
 OR {    6}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD2 ))
 OR {    6}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {    7}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.200     1.200 peak     7 weight  0.11000E+01 volume  0.38074E-02 ppm1      9.907 ppm2      4.834 CV     1
 ASSI {    8}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.700     1.700     1.700 peak     8 weight  0.11000E+01 volume  0.21788E-02 ppm1      9.902 ppm2      4.996 CV     1
 ASSI {    9}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      5.000     3.100     1.000 peak     9 weight  0.11000E+01 volume  0.80571E-03 ppm1      9.901 ppm2      5.098 CV     1
 ASSI {   10}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.100     0.600     0.600 peak    10 weight  0.11000E+01 volume  0.20722E-01 ppm1      9.902 ppm2      5.637 CV     1
 ASSI {   11}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 27   and name HD% )
      5.700     4.000     0.300 peak    11 weight  0.11000E+01 volume  0.51405E-03 ppm1      9.901 ppm2      6.900 CV     1
 ASSI {   12}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      4.200     2.200     1.800 peak    12 weight  0.11000E+01 volume  0.92455E-03 ppm1      9.903 ppm2      7.125 CV     1
 ASSI {   13}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      5.400     3.700     0.600 peak    13 weight  0.11000E+01 volume  0.59485E-03 ppm1      9.900 ppm2      8.675 CV     1
 ASSI {   15}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      5.400     3.600     0.600 peak    15 weight  0.11000E+01 volume  0.66394E-03 ppm1      9.901 ppm2      9.140 CV     1
 ASSI {   16}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.000     1.000 peak    16 weight  0.11000E+01 volume  0.42456E-02 ppm1      9.902 ppm2      9.334 CV     1
 ASSI {   17}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak    17 weight  0.11000E+01 volume  0.13071E-02 ppm1      9.499 ppm2      9.095 CV     1
 ASSI {   18}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.800     2.900     1.200 peak    18 weight  0.11000E+01 volume  0.95411E-03 ppm1      9.331 ppm2      8.832 CV     1
 ASSI {   19}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.800     1.900     1.900 peak    19 weight  0.11000E+01 volume  0.79389E-03 ppm1      9.500 ppm2      8.739 CV     1
 ASSI {   20}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.800     2.900     1.200 peak    20 weight  0.11000E+01 volume  0.71003E-03 ppm1      9.502 ppm2      8.413 CV     1
 ASSI {   21}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      5.100     3.200     0.900 peak    21 weight  0.11000E+01 volume  0.54413E-03 ppm1      9.333 ppm2      8.410 CV     1
 ASSI {   22}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak    22 weight  0.11000E+01 volume  0.15910E-02 ppm1      9.101 ppm2      8.435 CV     1
 ASSI {   23}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.800     2.900     1.200 peak    23 weight  0.11000E+01 volume  0.10594E-02 ppm1      9.011 ppm2      8.414 CV     1
 ASSI {   24}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak    24 weight  0.11000E+01 volume  0.19404E-02 ppm1      8.909 ppm2      8.507 CV     1
 ASSI {   25}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak    25 weight  0.11000E+01 volume  0.50670E-02 ppm1      9.012 ppm2      8.785 CV     1
 ASSI {   26}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.700     2.700     1.300 peak    26 weight  0.11000E+01 volume  0.10696E-02 ppm1      9.104 ppm2      8.732 CV     1
 ASSI {   27}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak    27 weight  0.11000E+01 volume  0.61920E-02 ppm1      8.912 ppm2      7.803 CV     1
 ASSI {   28}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      5.300     3.500     0.700 peak    28 weight  0.11000E+01 volume  0.73130E-03 ppm1      9.105 ppm2      7.808 CV     1
 ASSI {   29}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      5.500     3.700     0.500 peak    29 weight  0.11000E+01 volume  0.74970E-03 ppm1      8.791 ppm2      7.615 CV     1
 ASSI {   31}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.000     3.100     1.000 peak    31 weight  0.11000E+01 volume  0.87487E-03 ppm1      8.877 ppm2      8.078 CV     1
 ASSI {   32}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.200     0.600     0.600 peak    32 weight  0.11000E+01 volume  0.80236E-02 ppm1      8.485 ppm2      7.801 CV     1
 ASSI {   33}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.300     1.300 peak    33 weight  0.11000E+01 volume  0.31826E-02 ppm1      8.444 ppm2      7.893 CV     1
 ASSI {   35}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak    35 weight  0.11000E+01 volume  0.20664E-02 ppm1      8.258 ppm2      7.610 CV     1
 ASSI {   36}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD% )
      3.300     1.300     1.300 peak    36 weight  0.11000E+01 volume  0.45681E-02 ppm1      8.789 ppm2      7.028 CV     1
 ASSI {   37}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HD% )
      4.300     2.300     1.700 peak    37 weight  0.11000E+01 volume  0.24838E-02 ppm1      9.010 ppm2      6.901 CV     1
 ASSI {   41}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 25   and name HE% )
      5.800     4.100     0.200 peak    41 weight  0.11000E+01 volume  0.44296E-03 ppm1      8.680 ppm2      7.361 CV     1
 ASSI {   42}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak    42 weight  0.11000E+01 volume  0.50472E-02 ppm1      8.308 ppm2      8.101 CV     1
 ASSI {   43}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.000     2.000     2.000 peak    43 weight  0.11000E+01 volume  0.18706E-02 ppm1      8.411 ppm2      8.103 CV     1
 ASSI {   44}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak    44 weight  0.11000E+01 volume  0.56242E-02 ppm1      8.482 ppm2      8.273 CV     1
 ASSI {   45}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.300     2.300     1.700 peak    45 weight  0.11000E+01 volume  0.24781E-02 ppm1      8.103 ppm2      7.802 CV     1
 ASSI {   46}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      3.000     1.200     1.200 peak    46 weight  0.11000E+01 volume  0.21763E-02 ppm1      7.801 ppm2      7.127 CV     1
 ASSI {   47}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 27   and name HD% )
      4.800     2.900     1.200 peak    47 weight  0.11000E+01 volume  0.73231E-03 ppm1      7.761 ppm2      6.904 CV     1
 ASSI {   48}
   (  segid "    " and resid 25   and name HE% )
   (  segid "    " and resid 25   and name HD% )
      2.000     0.500     0.500 peak    48 weight  0.11000E+01 volume  0.34569E-01 ppm1      7.363 ppm2      7.127 CV     1
 ASSI {   49}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 6    and name HA  ))
      3.300     1.400     1.400 peak    49 weight  0.11000E+01 volume  0.33819E-02 ppm1      6.901 ppm2      5.632 CV     1
 ASSI {   50}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak    50 weight  0.11000E+01 volume  0.13633E-01 ppm1      6.901 ppm2      4.998 CV     1
 ASSI {   51}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 27   and name HE% )
      6.000     5.200     0.000 peak    51 weight  0.11000E+01 volume  0.34404E-03 ppm1      7.606 ppm2      6.659 CV     1
 ASSI {   52}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.100     2.100     1.900 peak    52 weight  0.11000E+01 volume  0.25953E-02 ppm1      9.498 ppm2      5.081 CV     1
 ASSI {   53}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak    53 weight  0.11000E+01 volume  0.45205E-02 ppm1      9.498 ppm2      4.757 CV     1
 ASSI {   54}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.100     0.600     0.600 peak    54 weight  0.11000E+01 volume  0.21453E-01 ppm1      9.333 ppm2      5.093 CV     1
 ASSI {   55}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     1.100     1.100 peak    55 weight  0.11000E+01 volume  0.34423E-02 ppm1      9.336 ppm2      4.735 CV     1
 ASSI {   56}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      5.000     3.100     1.000 peak    56 weight  0.11000E+01 volume  0.59962E-03 ppm1      9.334 ppm2      5.640 CV     1
 ASSI {   57}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.200     1.300     1.300 peak    57 weight  0.11000E+01 volume  0.31812E-02 ppm1      9.144 ppm2      5.639 CV     1
 ASSI {   58}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.400     1.400     1.400 peak    58 weight  0.11000E+01 volume  0.29816E-02 ppm1      9.013 ppm2      5.636 CV     1
 ASSI {   59}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak    59 weight  0.11000E+01 volume  0.33155E-02 ppm1      9.093 ppm2      5.327 CV     1
 ASSI {   60}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.100     0.600     0.600 peak    60 weight  0.11000E+01 volume  0.24360E-01 ppm1      9.091 ppm2      5.082 CV     1
 OR {   60}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {   61}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.000     1.000 peak    61 weight  0.11000E+01 volume  0.47466E-02 ppm1      9.014 ppm2      5.080 CV     1
 ASSI {   62}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.000     0.500     0.500 peak    62 weight  0.11000E+01 volume  0.24969E-01 ppm1      9.011 ppm2      4.994 CV     1
 ASSI {   63}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.100     0.600     0.600 peak    63 weight  0.11000E+01 volume  0.22457E-01 ppm1      9.106 ppm2      4.770 CV     1
 OR {   63}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {   64}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.200     0.600     0.600 peak    64 weight  0.11000E+01 volume  0.22100E-01 ppm1      9.142 ppm2      4.590 CV     1
 ASSI {   66}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak    66 weight  0.11000E+01 volume  0.21222E-01 ppm1      8.882 ppm2      4.633 CV     1
 ASSI {   67}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
      5.700     4.000     0.300 peak    67 weight  0.11000E+01 volume  0.76497E-03 ppm1      8.786 ppm2      3.989 CV     1
 ASSI {   68}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak    68 weight  0.11000E+01 volume  0.39790E-02 ppm1      8.881 ppm2      5.020 CV     1
 ASSI {   69}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.200     0.600     0.600 peak    69 weight  0.11000E+01 volume  0.18281E-01 ppm1      8.787 ppm2      5.009 CV     1
 ASSI {   70}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.700     1.700     1.700 peak    70 weight  0.11000E+01 volume  0.24606E-02 ppm1      8.828 ppm2      5.099 CV     1
 ASSI {   71}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.700     1.700     1.700 peak    71 weight  0.11000E+01 volume  0.22144E-02 ppm1      8.789 ppm2      5.322 CV     1
 ASSI {   72}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.100     0.600     0.600 peak    72 weight  0.11000E+01 volume  0.25005E-01 ppm1      9.498 ppm2      4.289 CV     1
 ASSI {   73}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.600     1.600     1.600 peak    73 weight  0.11000E+01 volume  0.19080E-02 ppm1      9.336 ppm2      3.756 CV     1
 ASSI {   74}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
      4.500     2.500     1.500 peak    74 weight  0.11000E+01 volume  0.14556E-02 ppm1      9.091 ppm2      3.724 CV     1
 ASSI {   75}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      3.000     1.100     1.100 peak    75 weight  0.11000E+01 volume  0.89712E-02 ppm1      8.913 ppm2      3.802 CV     1
 ASSI {   76}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak    76 weight  0.11000E+01 volume  0.38702E-02 ppm1      8.881 ppm2      3.727 CV     1
 ASSI {   77}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.100     0.500     0.500 peak    77 weight  0.11000E+01 volume  0.18254E-01 ppm1      8.828 ppm2      3.756 CV     1
 ASSI {   78}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.200     0.600     0.600 peak    78 weight  0.11000E+01 volume  0.19512E-01 ppm1      8.912 ppm2      4.085 CV     1
 ASSI {   79}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
      2.600     0.900     0.900 peak    79 weight  0.11000E+01 volume  0.78487E-02 ppm1      8.908 ppm2      4.203 CV     1
 ASSI {   80}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA2 ))
      2.600     0.900     0.900 peak    80 weight  0.11000E+01 volume  0.69972E-02 ppm1      8.828 ppm2      4.247 CV     1
 ASSI {   81}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.200     1.200 peak    81 weight  0.11000E+01 volume  0.41851E-02 ppm1      8.732 ppm2      4.295 CV     1
 ASSI {   82}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak    82 weight  0.11000E+01 volume  0.41745E-02 ppm1      8.789 ppm2      4.590 CV     1
 ASSI {   83}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.200     0.600     0.600 peak    83 weight  0.11000E+01 volume  0.23692E-01 ppm1      8.734 ppm2      4.727 CV     1
 ASSI {   84}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.300     0.700     0.700 peak    84 weight  0.11000E+01 volume  0.17638E-01 ppm1      8.678 ppm2      4.833 CV     1
 ASSI {   85}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      2.400     0.700     0.700 peak    85 weight  0.11000E+01 volume  0.18985E-01 ppm1      8.575 ppm2      4.524 CV     1
 ASSI {   86}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.500     0.800     0.800 peak    86 weight  0.11000E+01 volume  0.19822E-01 ppm1      8.513 ppm2      4.384 CV     1
 OR {   86}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {   87}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.900     1.000     1.000 peak    87 weight  0.11000E+01 volume  0.10977E-01 ppm1      8.572 ppm2      4.083 CV     1
 ASSI {   88}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.600     0.800     0.800 peak    88 weight  0.11000E+01 volume  0.10066E-01 ppm1      8.511 ppm2      4.083 CV     1
 ASSI {   89}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA1 ))
      2.900     1.000     1.000 peak    89 weight  0.11000E+01 volume  0.92697E-02 ppm1      8.512 ppm2      3.846 CV     1
 OR {   89}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA2 ))
 ASSI {   90}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.900     1.000     1.000 peak    90 weight  0.11000E+01 volume  0.10694E-01 ppm1      8.583 ppm2      3.730 CV     1
 ASSI {   91}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak    91 weight  0.11000E+01 volume  0.36239E-02 ppm1      8.677 ppm2      3.757 CV     1
 ASSI {   92}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      2.300     0.700     0.700 peak    92 weight  0.11000E+01 volume  0.11125E-01 ppm1      8.273 ppm2      3.779 CV     1
 ASSI {   93}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      2.700     0.900     0.900 peak    93 weight  0.11000E+01 volume  0.14575E-01 ppm1      8.274 ppm2      3.990 CV     1
 ASSI {   94}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      2.700     0.900     0.900 peak    94 weight  0.11000E+01 volume  0.97787E-02 ppm1      8.307 ppm2      3.987 CV     1
 ASSI {   95}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak    95 weight  0.11000E+01 volume  0.66599E-02 ppm1      8.276 ppm2      4.056 CV     1
 ASSI {   96}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.400     0.700     0.700 peak    96 weight  0.11000E+01 volume  0.16285E-01 ppm1      8.262 ppm2      4.359 CV     1
 ASSI {   97}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.100     1.200     1.200 peak    97 weight  0.11000E+01 volume  0.40978E-02 ppm1      8.254 ppm2      4.267 CV     1
 ASSI {   98}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      4.000     2.000     2.000 peak    98 weight  0.11000E+01 volume  0.17259E-02 ppm1      8.308 ppm2      4.470 CV     1
 ASSI {   99}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak    99 weight  0.11000E+01 volume  0.86409E-02 ppm1      8.308 ppm2      4.898 CV     1
 ASSI {  100}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.000     1.200     1.200 peak   100 weight  0.11000E+01 volume  0.29671E-02 ppm1      8.413 ppm2      4.994 CV     1
 ASSI {  101}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     2.800     3.200 peak   101 weight  0.11000E+01 volume  0.78710E-02 ppm1      8.414 ppm2      5.087 CV     1
 ASSI {  102}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.700     0.700 peak   102 weight  0.11000E+01 volume  0.12065E-01 ppm1      8.583 ppm2      5.017 CV     1
 ASSI {  103}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.200     1.200 peak   103 weight  0.11000E+01 volume  0.37046E-02 ppm1      8.571 ppm2      5.090 CV     1
 ASSI {  104}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      3.200     3.200     2.800 peak   104 weight  0.11000E+01 volume  0.85218E-03 ppm1      8.413 ppm2      4.461 CV     1
 ASSI {  105}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.200     0.600     0.600 peak   105 weight  0.11000E+01 volume  0.22433E-01 ppm1      8.411 ppm2      4.729 CV     1
 ASSI {  106}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak   106 weight  0.11000E+01 volume  0.19239E-01 ppm1      8.445 ppm2      4.644 CV     1
 ASSI {  107}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.600     0.800     0.800 peak   107 weight  0.11000E+01 volume  0.11337E-01 ppm1      9.013 ppm2      2.938 CV     1
 ASSI {  108}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.000     1.200     1.200 peak   108 weight  0.11000E+01 volume  0.43092E-02 ppm1      9.012 ppm2      3.193 CV     1
 ASSI {  109}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.600     0.900     0.900 peak   109 weight  0.11000E+01 volume  0.11492E-01 ppm1      9.142 ppm2      2.937 CV     1
 OR {  109}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  110}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.700     0.900     0.900 peak   110 weight  0.11000E+01 volume  0.88367E-02 ppm1      9.142 ppm2      3.052 CV     1
 ASSI {  111}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.300     1.400     1.400 peak   111 weight  0.11000E+01 volume  0.23931E-02 ppm1      9.092 ppm2      3.098 CV     1
 ASSI {  112}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.600     1.700     1.700 peak   112 weight  0.11000E+01 volume  0.43566E-02 ppm1      9.092 ppm2      3.192 CV     1
 ASSI {  113}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.200     0.600     0.600 peak   113 weight  0.11000E+01 volume  0.99079E-02 ppm1      9.336 ppm2      3.028 CV     1
 ASSI {  114}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.800     1.800     1.800 peak   114 weight  0.11000E+01 volume  0.35661E-02 ppm1      9.335 ppm2      2.842 CV     1
 ASSI {  115}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD2 ))
      5.300     3.500     0.700 peak   115 weight  0.11000E+01 volume  0.97259E-03 ppm1      9.498 ppm2      3.232 CV     1
 OR {  115}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD1 ))
 ASSI {  116}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.000     2.000     2.000 peak   116 weight  0.11000E+01 volume  0.16301E-02 ppm1      9.498 ppm2      2.746 CV     1
 ASSI {  117}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak   117 weight  0.11000E+01 volume  0.83658E-02 ppm1      8.412 ppm2      2.748 CV     1
 ASSI {  118}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 7    and name HD1 ))
      3.300     1.300     1.300 peak   118 weight  0.11000E+01 volume  0.58316E-02 ppm1      8.582 ppm2      3.223 CV     1
 OR {  118}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 7    and name HD2 ))
 OR {  118}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HD2 ))
 ASSI {  119}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA1 ))
      2.700     0.900     0.900 peak   119 weight  0.11000E+01 volume  0.15012E-01 ppm1      8.830 ppm2      3.379 CV     1
 ASSI {  120}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA1 ))
      2.800     1.000     1.000 peak   120 weight  0.11000E+01 volume  0.62235E-02 ppm1      8.074 ppm2      3.384 CV     1
 OR {  120}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  121}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.400     1.400     1.400 peak   121 weight  0.11000E+01 volume  0.20427E-02 ppm1      8.102 ppm2      3.221 CV     1
 ASSI {  122}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   122 weight  0.11000E+01 volume  0.28755E-02 ppm1      8.072 ppm2      3.117 CV     1
 ASSI {  123}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.100     1.100 peak   123 weight  0.11000E+01 volume  0.53967E-02 ppm1      8.584 ppm2      4.384 CV     1
 ASSI {  124}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   124 weight  0.11000E+01 volume  0.52073E-02 ppm1      8.446 ppm2      4.119 CV     1
 ASSI {  125}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      5.500     3.800     0.500 peak   125 weight  0.11000E+01 volume  0.64038E-03 ppm1      8.309 ppm2      5.090 CV     1
 ASSI {  126}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.100     0.500     0.500 peak   126 weight  0.11000E+01 volume  0.16949E-01 ppm1      8.101 ppm2      5.085 CV     1
 ASSI {  127}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.100     1.200     1.200 peak   127 weight  0.11000E+01 volume  0.38897E-02 ppm1      8.100 ppm2      4.900 CV     1
 ASSI {  128}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.300     1.300 peak   128 weight  0.11000E+01 volume  0.23805E-02 ppm1      8.102 ppm2      4.731 CV     1
 ASSI {  129}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   129 weight  0.11000E+01 volume  0.50636E-02 ppm1      8.074 ppm2      4.636 CV     1
 ASSI {  130}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      3.000     1.200     1.200 peak   130 weight  0.11000E+01 volume  0.99673E-02 ppm1      8.101 ppm2      4.469 CV     1
 ASSI {  131}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA2 ))
      3.600     1.600     1.600 peak   131 weight  0.11000E+01 volume  0.95817E-02 ppm1      8.072 ppm2      4.246 CV     1
 ASSI {  132}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.300     1.400     1.400 peak   132 weight  0.11000E+01 volume  0.32330E-02 ppm1      8.308 ppm2      3.306 CV     1
 ASSI {  133}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.600     2.700     1.400 peak   133 weight  0.11000E+01 volume  0.17991E-02 ppm1      8.307 ppm2      3.220 CV     1
 ASSI {  134}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak   134 weight  0.11000E+01 volume  0.40626E-02 ppm1      8.583 ppm2      2.653 CV     1
 ASSI {  135}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HG1 ))
      3.400     1.400     1.400 peak   135 weight  0.11000E+01 volume  0.57050E-02 ppm1      8.584 ppm2      2.445 CV     1
 ASSI {  136}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.600     1.700     1.700 peak   136 weight  0.11000E+01 volume  0.24966E-02 ppm1      8.445 ppm2      2.484 CV     1
 ASSI {  137}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak   137 weight  0.11000E+01 volume  0.65154E-02 ppm1      8.789 ppm2      2.397 CV     1
 ASSI {  138}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.800     1.800     1.800 peak   138 weight  0.11000E+01 volume  0.35989E-02 ppm1      8.790 ppm2      2.724 CV     1
 ASSI {  139}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.600     0.800     0.800 peak   139 weight  0.11000E+01 volume  0.11194E-01 ppm1      8.881 ppm2      2.653 CV     1
 ASSI {  140}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.700     1.700     1.700 peak   140 weight  0.11000E+01 volume  0.47656E-02 ppm1      8.791 ppm2      2.936 CV     1
 ASSI {  141}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      5.000     3.100     1.000 peak   141 weight  0.11000E+01 volume  0.14274E-02 ppm1      9.012 ppm2      2.745 CV     1
 ASSI {  142}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.800     1.800     1.800 peak   142 weight  0.11000E+01 volume  0.20517E-02 ppm1      8.101 ppm2      2.841 CV     1
 ASSI {  143}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.700     2.800     1.300 peak   143 weight  0.11000E+01 volume  0.11174E-02 ppm1      8.100 ppm2      3.030 CV     1
 ASSI {  144}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.100     1.200     1.200 peak   144 weight  0.11000E+01 volume  0.22320E-02 ppm1      8.103 ppm2      3.308 CV     1
 ASSI {  145}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.300     0.700     0.700 peak   145 weight  0.11000E+01 volume  0.78784E-02 ppm1      7.805 ppm2      2.841 CV     1
 ASSI {  146}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.000     2.000     2.000 peak   146 weight  0.11000E+01 volume  0.27056E-02 ppm1      7.804 ppm2      3.030 CV     1
 ASSI {  147}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.600     0.800     0.800 peak   147 weight  0.11000E+01 volume  0.77061E-02 ppm1      7.614 ppm2      2.727 CV     1
 ASSI {  148}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG1 ))
      2.500     0.800     0.800 peak   148 weight  0.11000E+01 volume  0.10271E-01 ppm1      7.810 ppm2      2.447 CV     1
 ASSI {  149}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
      3.500     1.500     1.500 peak   149 weight  0.11000E+01 volume  0.53218E-02 ppm1      7.810 ppm2      2.054 CV     1
 ASSI {  150}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.500     2.500     1.500 peak   150 weight  0.11000E+01 volume  0.17068E-02 ppm1      7.894 ppm2      2.031 CV     1
 ASSI {  151}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.300     1.300     1.300 peak   151 weight  0.11000E+01 volume  0.31790E-02 ppm1      7.892 ppm2      1.832 CV     1
 OR {  151}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  152}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      2.300     0.700     0.700 peak   152 weight  0.11000E+01 volume  0.10726E-01 ppm1      8.273 ppm2      1.881 CV     1
 ASSI {  153}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.900     0.900 peak   153 weight  0.11000E+01 volume  0.63287E-02 ppm1      7.130 ppm2      2.843 CV     1
 ASSI {  154}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.500     1.500 peak   154 weight  0.11000E+01 volume  0.42707E-02 ppm1      7.893 ppm2      1.718 CV     1
 OR {  154}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  155}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG1 ))
      3.700     1.700     1.700 peak   155 weight  0.11000E+01 volume  0.34826E-02 ppm1      7.890 ppm2      1.574 CV     1
 OR {  155}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HG2 ))
 OR {  155}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG1 ))
 ASSI {  156}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.900     1.100     1.100 peak   156 weight  0.11000E+01 volume  0.44650E-02 ppm1      7.810 ppm2      1.593 CV     1
 ASSI {  157}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      3.800     1.800     1.800 peak   157 weight  0.11000E+01 volume  0.42477E-02 ppm1      7.811 ppm2      1.859 CV     1
 ASSI {  158}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      4.100     2.100     1.900 peak   158 weight  0.11000E+01 volume  0.17668E-02 ppm1      7.759 ppm2      1.627 CV     1
 ASSI {  159}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.200     2.200     1.800 peak   159 weight  0.11000E+01 volume  0.25697E-02 ppm1      7.612 ppm2      1.669 CV     1
 ASSI {  160}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      3.600     1.600     1.600 peak   160 weight  0.11000E+01 volume  0.41600E-02 ppm1      7.610 ppm2      1.480 CV     1
 OR {  160}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {  161}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 17   and name HG1%)
      2.800     2.800     3.200 peak   161 weight  0.11000E+01 volume  0.21488E-02 ppm1      7.757 ppm2      1.206 CV     1
 ASSI {  162}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      3.500     3.500     2.500 peak   162 weight  0.11000E+01 volume  0.97688E-02 ppm1      7.759 ppm2      1.135 CV     1
 ASSI {  163}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB  ))
      2.400     0.700     0.700 peak   163 weight  0.11000E+01 volume  0.14742E-01 ppm1      8.734 ppm2      2.163 CV     1
 ASSI {  164}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.600     0.900     0.900 peak   164 weight  0.11000E+01 volume  0.21733E-01 ppm1      9.103 ppm2      1.580 CV     1
 OR {  164}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  164}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  165}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.100     2.100     1.900 peak   165 weight  0.11000E+01 volume  0.16967E-02 ppm1      9.106 ppm2      1.856 CV     1
 ASSI {  166}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      2.900     1.000     1.000 peak   166 weight  0.11000E+01 volume  0.12587E-01 ppm1      9.091 ppm2      2.489 CV     1
 ASSI {  167}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.600     2.600     1.400 peak   167 weight  0.11000E+01 volume  0.21050E-02 ppm1      9.142 ppm2      2.397 CV     1
 ASSI {  168}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.400     2.400     1.600 peak   168 weight  0.11000E+01 volume  0.11659E-02 ppm1      9.010 ppm2      2.258 CV     1
 ASSI {  169}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.700     0.900     0.900 peak   169 weight  0.11000E+01 volume  0.79667E-02 ppm1      8.734 ppm2      1.715 CV     1
 OR {  169}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  170}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.500     0.800     0.800 peak   170 weight  0.11000E+01 volume  0.97784E-02 ppm1      8.790 ppm2      1.674 CV     1
 ASSI {  171}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.300     1.400     1.400 peak   171 weight  0.11000E+01 volume  0.42223E-02 ppm1      8.583 ppm2      1.896 CV     1
 OR {  171}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  172}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
      4.600     2.700     1.400 peak   172 weight  0.11000E+01 volume  0.16104E-02 ppm1      8.584 ppm2      2.067 CV     1
 ASSI {  173}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD1 ))
      4.400     2.400     1.600 peak   173 weight  0.11000E+01 volume  0.26853E-02 ppm1      8.584 ppm2      1.599 CV     1
 OR {  173}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {  174}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      2.800     1.000     1.000 peak   174 weight  0.11000E+01 volume  0.99069E-02 ppm1      8.512 ppm2      1.589 CV     1
 OR {  174}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
 OR {  174}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG  ))
 ASSI {  175}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.300     1.300     1.300 peak   175 weight  0.11000E+01 volume  0.46830E-02 ppm1      8.413 ppm2      1.391 CV     1
 ASSI {  176}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.100     0.500     0.500 peak   176 weight  0.11000E+01 volume  0.17723E-01 ppm1      8.582 ppm2      1.342 CV     1
 OR {  176}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  177}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.100     1.200     1.200 peak   177 weight  0.11000E+01 volume  0.50825E-02 ppm1      8.575 ppm2      1.233 CV     1
 ASSI {  178}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HD1 ))
      3.700     1.700     1.700 peak   178 weight  0.11000E+01 volume  0.10134E-01 ppm1      8.680 ppm2      1.254 CV     1
 OR {  178}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HD2 ))
 ASSI {  179}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HG1%)
      3.200     1.300     1.300 peak   179 weight  0.11000E+01 volume  0.11206E-01 ppm1      8.733 ppm2      1.204 CV     1
 ASSI {  180}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      3.500     1.500     1.500 peak   180 weight  0.11000E+01 volume  0.32095E-02 ppm1      8.734 ppm2      1.134 CV     1
 ASSI {  181}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG11))
      2.800     1.000     1.000 peak   181 weight  0.11000E+01 volume  0.51635E-02 ppm1      8.272 ppm2      1.184 CV     1
 ASSI {  182}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      4.100     2.100     1.900 peak   182 weight  0.11000E+01 volume  0.16249E-02 ppm1      8.412 ppm2      1.136 CV     1
 ASSI {  183}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 17   and name HG1%)
      3.000     3.000     3.000 peak   183 weight  0.11000E+01 volume  0.14813E-02 ppm1      8.413 ppm2      1.212 CV     1
 ASSI {  184}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      4.100     2.200     1.900 peak   184 weight  0.11000E+01 volume  0.29914E-02 ppm1      8.103 ppm2      1.232 CV     1
 ASSI {  185}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.000     2.000     2.000 peak   185 weight  0.11000E+01 volume  0.28844E-02 ppm1      8.446 ppm2      2.034 CV     1
 ASSI {  186}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     1.100     1.100 peak   186 weight  0.11000E+01 volume  0.64458E-02 ppm1      8.445 ppm2      1.809 CV     1
 ASSI {  187}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.100     1.100 peak   187 weight  0.11000E+01 volume  0.50151E-02 ppm1      8.445 ppm2      1.693 CV     1
 ASSI {  188}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      4.100     2.100     1.900 peak   188 weight  0.11000E+01 volume  0.30920E-02 ppm1      8.680 ppm2      1.740 CV     1
 ASSI {  189}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.700     0.900     0.900 peak   189 weight  0.11000E+01 volume  0.71349E-02 ppm1      7.759 ppm2      4.080 CV     1
 ASSI {  190}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.600     1.600     1.600 peak   190 weight  0.11000E+01 volume  0.22626E-02 ppm1      7.758 ppm2      4.290 CV     1
 ASSI {  191}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA2 ))
      3.300     1.300     1.300 peak   191 weight  0.11000E+01 volume  0.25848E-02 ppm1      7.811 ppm2      4.206 CV     1
 ASSI {  192}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   192 weight  0.11000E+01 volume  0.11365E-01 ppm1      7.892 ppm2      4.122 CV     1
 ASSI {  193}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak   193 weight  0.11000E+01 volume  0.88204E-02 ppm1      7.892 ppm2      4.177 CV     1
 ASSI {  194}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.300     1.300 peak   194 weight  0.11000E+01 volume  0.49033E-02 ppm1      7.806 ppm2      4.014 CV     1
 OR {  194}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
 ASSI {  195}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.800     1.800     1.800 peak   195 weight  0.11000E+01 volume  0.61479E-02 ppm1      7.812 ppm2      4.084 CV     1
 ASSI {  196}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA1 ))
      3.700     1.700     1.700 peak   196 weight  0.11000E+01 volume  0.31083E-02 ppm1      7.812 ppm2      3.801 CV     1
 OR {  196}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
 ASSI {  197}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.400     2.500     1.600 peak   197 weight  0.11000E+01 volume  0.25865E-02 ppm1      7.814 ppm2      3.732 CV     1
 ASSI {  198}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      3.200     1.300     1.300 peak   198 weight  0.11000E+01 volume  0.49885E-02 ppm1      7.757 ppm2      4.517 CV     1
 ASSI {  199}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak   199 weight  0.11000E+01 volume  0.61455E-02 ppm1      7.758 ppm2      4.754 CV     1
 ASSI {  200}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak   200 weight  0.11000E+01 volume  0.44295E-02 ppm1      7.812 ppm2      4.768 CV     1
 ASSI {  201}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak   201 weight  0.11000E+01 volume  0.39899E-02 ppm1      7.799 ppm2      5.089 CV     1
 ASSI {  202}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.200     1.200 peak   202 weight  0.11000E+01 volume  0.37762E-02 ppm1      7.610 ppm2      5.012 CV     1
 ASSI {  203}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600 peak   203 weight  0.11000E+01 volume  0.25185E-01 ppm1      7.614 ppm2      4.268 CV     1
 ASSI {  204}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak   204 weight  0.11000E+01 volume  0.10571E-01 ppm1      9.502 ppm2      7.757 CV     1
 ASSI {  205}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      2.900     1.000     1.000 peak   205 weight  0.11000E+01 volume  0.49423E-02 ppm1      9.500 ppm2      2.196 CV     1
 OR {  205}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  206}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      3.300     1.400     1.400 peak   206 weight  0.11000E+01 volume  0.89998E-02 ppm1      9.500 ppm2      1.623 CV     1
 ASSI {  207}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 17   and name HG1%)
      3.800     1.800     1.800 peak   207 weight  0.11000E+01 volume  0.41419E-02 ppm1      9.502 ppm2      1.205 CV     1
 ASSI {  208}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 17   and name HG2%)
      4.000     2.000     2.000 peak   208 weight  0.11000E+01 volume  0.45739E-02 ppm1      9.500 ppm2      1.134 CV     1
 ASSI {  209}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      5.500     3.800     0.500 peak   209 weight  0.11000E+01 volume  0.61030E-03 ppm1      9.335 ppm2      7.804 CV     1
 ASSI {  210}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      4.600     2.700     1.400 peak   210 weight  0.11000E+01 volume  0.12512E-02 ppm1      9.338 ppm2      7.128 CV     1
 ASSI {  211}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.600     0.800     0.800 peak   211 weight  0.11000E+01 volume  0.17100E-01 ppm1      9.337 ppm2      1.644 CV     1
 OR {  211}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  212}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.000     1.200     1.200 peak   212 weight  0.11000E+01 volume  0.40662E-02 ppm1      9.339 ppm2      1.392 CV     1
 ASSI {  213}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.500     2.500     1.500 peak   213 weight  0.11000E+01 volume  0.17191E-02 ppm1      9.336 ppm2      0.807 CV     1
 ASSI {  214}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      3.300     1.400     1.400 peak   214 weight  0.11000E+01 volume  0.22092E-02 ppm1      9.336 ppm2      0.849 CV     1
 ASSI {  217}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.800     1.800     1.800 peak   217 weight  0.11000E+01 volume  0.17596E-02 ppm1      9.099 ppm2      4.284 CV     1
 ASSI {  218}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      4.800     2.900     1.200 peak   218 weight  0.11000E+01 volume  0.13726E-02 ppm1      9.093 ppm2      2.937 CV     1
 ASSI {  219}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
      3.200     3.200     2.800 peak   219 weight  0.11000E+01 volume  0.10073E-02 ppm1      9.107 ppm2      2.050 CV     1
 ASSI {  220}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.200     2.200     1.800 peak   220 weight  0.11000E+01 volume  0.64722E-03 ppm1      9.017 ppm2      2.391 CV     1
 ASSI {  221}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      4.400     2.400     1.600 peak   221 weight  0.11000E+01 volume  0.10758E-02 ppm1      9.015 ppm2      1.412 CV     1
 OR {  221}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  222}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.500     1.600     1.600 peak   222 weight  0.11000E+01 volume  0.17225E-02 ppm1      9.013 ppm2      1.671 CV     1
 ASSI {  223}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      4.000     2.000     2.000 peak   223 weight  0.11000E+01 volume  0.37668E-02 ppm1      8.914 ppm2      1.739 CV     1
 ASSI {  224}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.200     1.300     1.300 peak   224 weight  0.11000E+01 volume  0.58675E-02 ppm1      8.881 ppm2      3.120 CV     1
 ASSI {  225}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.800     1.800     1.800 peak   225 weight  0.11000E+01 volume  0.48840E-02 ppm1      8.882 ppm2      3.376 CV     1
 ASSI {  226}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.300     2.300     1.700 peak   226 weight  0.11000E+01 volume  0.17428E-02 ppm1      8.880 ppm2      8.579 CV     1
 ASSI {  227}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      3.500     1.500     1.500 peak   227 weight  0.11000E+01 volume  0.40300E-02 ppm1      8.882 ppm2      0.810 CV     1
 OR {  227}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  228}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      4.400     2.400     1.600 peak   228 weight  0.11000E+01 volume  0.20294E-02 ppm1      8.678 ppm2      0.986 CV     1
 OR {  228}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
 ASSI {  229}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      3.100     1.200     1.200 peak   229 weight  0.11000E+01 volume  0.40761E-02 ppm1      8.829 ppm2      0.978 CV     1
 OR {  229}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
 ASSI {  230}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.300     2.400     1.700 peak   230 weight  0.11000E+01 volume  0.12118E-02 ppm1      8.831 ppm2      0.817 CV     1
 ASSI {  231}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HD2 ))
      5.300     3.500     0.700 peak   231 weight  0.11000E+01 volume  0.13959E-02 ppm1      8.829 ppm2      1.250 CV     1
 OR {  231}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HD1 ))
 ASSI {  232}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.700     2.700     1.300 peak   232 weight  0.11000E+01 volume  0.12771E-02 ppm1      8.831 ppm2      1.556 CV     1
 OR {  232}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  233}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.700     2.800     1.300 peak   233 weight  0.11000E+01 volume  0.12017E-02 ppm1      8.832 ppm2      1.649 CV     1
 OR {  233}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  234}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.900     1.900     1.900 peak   234 weight  0.11000E+01 volume  0.92107E-03 ppm1      8.787 ppm2      3.194 CV     1
 ASSI {  235}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HD1 ))
      5.000     3.200     1.000 peak   235 weight  0.11000E+01 volume  0.86594E-03 ppm1      8.732 ppm2      3.182 CV     1
 OR {  235}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  236}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HD1 ))
      5.300     3.500     0.700 peak   236 weight  0.11000E+01 volume  0.76688E-03 ppm1      8.681 ppm2      3.230 CV     1
 OR {  236}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HD2 ))
 ASSI {  237}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      5.000     3.100     1.000 peak   237 weight  0.11000E+01 volume  0.66947E-03 ppm1      8.588 ppm2      2.943 CV     1
 ASSI {  238}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HD2 ))
      4.600     2.600     1.400 peak   238 weight  0.11000E+01 volume  0.81385E-03 ppm1      8.514 ppm2      3.218 CV     1
 OR {  238}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HD1 ))
 ASSI {  239}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.100     1.200     1.200 peak   239 weight  0.11000E+01 volume  0.45329E-02 ppm1      8.513 ppm2      1.345 CV     1
 OR {  239}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  240}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HD1%)
      2.600     2.600     3.400 peak   240 weight  0.11000E+01 volume  0.31004E-02 ppm1      8.484 ppm2      0.923 CV     1
 ASSI {  241}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      2.400     0.700     0.700 peak   241 weight  0.11000E+01 volume  0.52425E-02 ppm1      8.485 ppm2      1.539 CV     1
 OR {  241}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI {  242}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      2.500     0.800     0.800 peak   242 weight  0.11000E+01 volume  0.52789E-02 ppm1      8.485 ppm2      1.870 CV     1
 OR {  242}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR {  242}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  243}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HD2 ))
      5.100     3.200     0.900 peak   243 weight  0.11000E+01 volume  0.88293E-03 ppm1      8.445 ppm2      3.168 CV     1
 OR {  243}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HD1 ))
 ASSI {  244}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.000     1.100     1.100 peak   244 weight  0.11000E+01 volume  0.77963E-02 ppm1      8.414 ppm2      2.257 CV     1
 ASSI {  245}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak   245 weight  0.11000E+01 volume  0.25885E-02 ppm1      8.411 ppm2      1.645 CV     1
 OR {  245}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  246}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.000     2.000     2.000 peak   246 weight  0.11000E+01 volume  0.56863E-03 ppm1      8.412 ppm2      4.294 CV     1
 ASSI {  247}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.500     1.500     1.500 peak   247 weight  0.11000E+01 volume  0.87696E-03 ppm1      8.307 ppm2      2.843 CV     1
 ASSI {  248}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.500     3.800     0.500 peak   248 weight  0.11000E+01 volume  0.49400E-03 ppm1      8.309 ppm2      3.034 CV     1
 ASSI {  249}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.400     3.700     0.600 peak   249 weight  0.11000E+01 volume  0.35650E-03 ppm1      8.275 ppm2      2.837 CV     1
 ASSI {  250}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.100     3.100     2.900 peak   250 weight  0.11000E+01 volume  0.10719E-02 ppm1      8.307 ppm2      1.226 CV     1
 ASSI {  251}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG12))
      2.600     0.900     0.900 peak   251 weight  0.11000E+01 volume  0.13413E-01 ppm1      8.267 ppm2      1.485 CV     1
 OR {  251}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  251}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
 ASSI {  252}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.700     0.000 peak   252 weight  0.11000E+01 volume  0.64139E-03 ppm1      8.102 ppm2      2.256 CV     1
 ASSI {  253}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.300     2.300     1.700 peak   253 weight  0.11000E+01 volume  0.15290E-02 ppm1      8.074 ppm2      0.806 CV     1
 ASSI {  254}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.900     1.900     1.900 peak   254 weight  0.11000E+01 volume  0.91978E-03 ppm1      8.075 ppm2      1.647 CV     1
 ASSI {  255}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      5.800     4.300     0.200 peak   255 weight  0.11000E+01 volume  0.41845E-03 ppm1      7.894 ppm2      4.645 CV     1
 ASSI {  256}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.900     3.000     1.100 peak   256 weight  0.11000E+01 volume  0.65997E-03 ppm1      7.811 ppm2      2.653 CV     1
 ASSI {  258}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.500     2.600     1.500 peak   258 weight  0.11000E+01 volume  0.61102E-03 ppm1      7.761 ppm2      5.086 CV     1
 ASSI {  259}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.200     1.200 peak   259 weight  0.11000E+01 volume  0.28651E-02 ppm1      7.758 ppm2      2.749 CV     1
 ASSI {  260}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.900     1.900     1.900 peak   260 weight  0.11000E+01 volume  0.11842E-02 ppm1      7.758 ppm2      2.254 CV     1
 ASSI {  261}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      4.000     2.000     2.000 peak   261 weight  0.11000E+01 volume  0.11724E-02 ppm1      7.758 ppm2      2.194 CV     1
 OR {  261}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  262}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.200     0.600     0.600 peak   262 weight  0.11000E+01 volume  0.30375E-01 ppm1      8.484 ppm2      4.042 CV     1
 OR {  262}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  263}
   (  segid "    " and resid 5    and name HD% )
   (  segid "    " and resid 5    and name HE% )
      2.200     0.600     0.600 peak   263 weight  0.11000E+01 volume  0.31567E-01 ppm1      7.023 ppm2      6.714 CV     1
 ASSI {  264}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      4.800     2.900     1.200 peak   264 weight  0.11000E+01 volume  0.72589E-03 ppm1      7.023 ppm2      5.323 CV     1
 ASSI {  265}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.400     1.400 peak   265 weight  0.11000E+01 volume  0.31274E-02 ppm1      7.025 ppm2      5.009 CV     1
 ASSI {  266}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak   266 weight  0.11000E+01 volume  0.56308E-02 ppm1      7.026 ppm2      4.589 CV     1
 ASSI {  267}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 5    and name HB1 ))
      5.400     3.700     0.600 peak   267 weight  0.11000E+01 volume  0.12699E-02 ppm1      6.712 ppm2      2.934 CV     1
 ASSI {  268}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 30   and name HD1 ))
      4.100     2.100     1.900 peak   268 weight  0.11000E+01 volume  0.58462E-03 ppm1      7.028 ppm2      3.742 CV     1
 ASSI {  269}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 7    and name HD2 ))
      5.200     3.300     0.800 peak   269 weight  0.11000E+01 volume  0.86284E-03 ppm1      7.029 ppm2      3.213 CV     1
 OR {  269}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 7    and name HD1 ))
 ASSI {  270}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 5    and name HB1 ))
      2.500     0.800     0.800 peak   270 weight  0.11000E+01 volume  0.13884E-01 ppm1      7.029 ppm2      2.932 CV     1
 ASSI {  271}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 5    and name HB2 ))
      2.500     0.800     0.800 peak   271 weight  0.11000E+01 volume  0.14813E-01 ppm1      7.029 ppm2      2.392 CV     1
 ASSI {  272}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak   272 weight  0.11000E+01 volume  0.11837E-01 ppm1      6.904 ppm2      2.256 CV     1
 ASSI {  273}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak   273 weight  0.11000E+01 volume  0.14979E-01 ppm1      6.902 ppm2      2.748 CV     1
 ASSI {  275}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 6    and name HB1 ))
      2.700     2.700     3.300 peak   275 weight  0.11000E+01 volume  0.27372E-02 ppm1      6.902 ppm2      3.051 CV     1
 ASSI {  277}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 25   and name HB1 ))
      2.500     0.800     0.800 peak   277 weight  0.11000E+01 volume  0.82224E-02 ppm1      7.128 ppm2      3.027 CV     1
 ASSI {  278}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   278 weight  0.11000E+01 volume  0.33502E-02 ppm1      6.902 ppm2      3.216 CV     1
 ASSI {  279}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 21   and name HB1 ))
      4.700     2.800     1.300 peak   279 weight  0.11000E+01 volume  0.16298E-02 ppm1      6.901 ppm2      3.305 CV     1
 ASSI {  280}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 21   and name HB1 ))
      4.900     3.000     1.100 peak   280 weight  0.11000E+01 volume  0.82964E-03 ppm1      7.128 ppm2      3.306 CV     1
 ASSI {  281}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 22   and name HA1 ))
      3.000     1.100     1.100 peak   281 weight  0.11000E+01 volume  0.30646E-02 ppm1      7.129 ppm2      3.760 CV     1
 OR {  281}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  282}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 22   and name HA2 ))
      5.000     3.100     1.000 peak   282 weight  0.11000E+01 volume  0.18643E-02 ppm1      7.130 ppm2      3.990 CV     1
 ASSI {  283}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak   283 weight  0.11000E+01 volume  0.62409E-02 ppm1      7.130 ppm2      5.097 CV     1
 ASSI {  284}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.400     1.400 peak   284 weight  0.11000E+01 volume  0.64471E-03 ppm1      7.353 ppm2      5.103 CV     1
 ASSI {  285}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.900     0.900 peak   285 weight  0.11000E+01 volume  0.71947E-02 ppm1      5.639 ppm2      4.999 CV     1
 ASSI {  286}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.700     0.900     0.900 peak   286 weight  0.11000E+01 volume  0.59757E-02 ppm1      5.638 ppm2      2.936 CV     1
 ASSI {  287}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.000     1.100     1.100 peak   287 weight  0.11000E+01 volume  0.73260E-02 ppm1      5.641 ppm2      3.050 CV     1
 ASSI {  288}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      5.500     3.700     0.500 peak   288 weight  0.11000E+01 volume  0.53436E-03 ppm1      5.639 ppm2      4.833 CV     1
 ASSI {  289}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      2.200     0.600     0.600 peak   289 weight  0.11000E+01 volume  0.10490E-01 ppm1      5.329 ppm2      5.009 CV     1
 ASSI {  291}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.300     1.300     1.300 peak   291 weight  0.11000E+01 volume  0.36753E-02 ppm1      5.329 ppm2      1.670 CV     1
 ASSI {  292}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      5.000     3.100     1.000 peak   292 weight  0.11000E+01 volume  0.96540E-03 ppm1      5.642 ppm2      1.736 CV     1
 ASSI {  293}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak   293 weight  0.11000E+01 volume  0.26575E-02 ppm1      5.079 ppm2      4.292 CV     1
 ASSI {  297}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak   297 weight  0.11000E+01 volume  0.13217E-02 ppm1      8.286 ppm2      7.798 CV     1
 OR {  297}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  298}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      2.400     0.700     0.700 peak   298 weight  0.11000E+01 volume  0.12462E-01 ppm1      8.307 ppm2      3.780 CV     1
 ASSI {  299}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.600     0.800     0.800 peak   299 weight  0.11000E+01 volume  0.99946E-02 ppm1      5.328 ppm2      3.099 CV     1
 ASSI {  300}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      2.900     1.000     1.000 peak   300 weight  0.11000E+01 volume  0.59731E-02 ppm1      5.331 ppm2      2.489 CV     1
 ASSI {  301}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG1 ))
      5.200     3.400     0.800 peak   301 weight  0.11000E+01 volume  0.65275E-03 ppm1      5.638 ppm2      1.413 CV     1
 OR {  301}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  302}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      5.400     3.700     0.600 peak   302 weight  0.11000E+01 volume  0.51200E-03 ppm1      5.639 ppm2      4.586 CV     1
 ASSI {  303}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB  ))
      2.700     0.900     0.900 peak   303 weight  0.11000E+01 volume  0.53121E-02 ppm1      5.085 ppm2      4.468 CV     1
 ASSI {  306}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.800     2.900     1.200 peak   306 weight  0.11000E+01 volume  0.60163E-03 ppm1      5.085 ppm2      2.255 CV     1
 OR {  306}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  308}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   308 weight  0.11000E+01 volume  0.50208E-02 ppm1      5.086 ppm2      4.737 CV     1
 ASSI {  312}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.200     2.200     1.800 peak   312 weight  0.11000E+01 volume  0.69836E-03 ppm1      5.633 ppm2      3.218 CV     1
 OR {  312}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD1 ))
 ASSI {  313}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HB2 ))
      4.600     2.700     1.400 peak   313 weight  0.11000E+01 volume  0.22194E-02 ppm1      7.350 ppm2      2.843 CV     1
 ASSI {  314}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 24   and name HG2 ))
      3.200     1.300     1.300 peak   314 weight  0.11000E+01 volume  0.37617E-02 ppm1      7.354 ppm2      1.508 CV     1
 OR {  314}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 24   and name HG1 ))
 ASSI {  315}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 8    and name HD2 ))
      3.300     1.300     1.300 peak   315 weight  0.11000E+01 volume  0.41516E-02 ppm1      7.355 ppm2      1.252 CV     1
 OR {  315}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 8    and name HD1 ))
 ASSI {  316}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 23   and name HB  ))
      3.000     3.000     3.000 peak   316 weight  0.11000E+01 volume  0.12417E-02 ppm1      7.353 ppm2      1.877 CV     1
 ASSI {  317}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 21   and name HA  ))
      5.400     3.600     0.600 peak   317 weight  0.11000E+01 volume  0.53642E-03 ppm1      6.902 ppm2      4.899 CV     1
 ASSI {  318}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 26   and name HA  ))
      3.300     1.300     1.300 peak   318 weight  0.11000E+01 volume  0.80969E-03 ppm1      6.906 ppm2      4.738 CV     1
 ASSI {  319}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 19   and name HA2 ))
      3.000     3.000     3.000 peak   319 weight  0.11000E+01 volume  0.13284E-02 ppm1      6.899 ppm2      4.518 CV     1
 ASSI {  320}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 26   and name HB2 ))
      2.300     2.300     3.700 peak   320 weight  0.11000E+01 volume  0.75960E-02 ppm1      6.902 ppm2      1.627 CV     1
 OR {  320}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  321}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 24   and name HB1 ))
      2.800     2.800     3.200 peak   321 weight  0.11000E+01 volume  0.19846E-02 ppm1      7.129 ppm2      1.860 CV     1
 OR {  321}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  322}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 8    and name HD2 ))
      4.700     2.700     1.300 peak   322 weight  0.11000E+01 volume  0.12501E-02 ppm1      7.133 ppm2      1.256 CV     1
 OR {  322}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 8    and name HD1 ))
 ASSI {  323}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 8    and name HG1 ))
      3.600     1.700     1.700 peak   323 weight  0.11000E+01 volume  0.16790E-02 ppm1      7.133 ppm2      0.983 CV     1
 ASSI {  324}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 4    and name HB1 ))
      3.700     1.700     1.700 peak   324 weight  0.11000E+01 volume  0.34338E-02 ppm1      6.663 ppm2      1.673 CV     1
 ASSI {  325}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HA  ))
      4.600     2.600     1.400 peak   325 weight  0.11000E+01 volume  0.17680E-02 ppm1      6.667 ppm2      5.000 CV     1
 ASSI {  326}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
      3.300     3.300     2.700 peak   326 weight  0.11000E+01 volume  0.73488E-03 ppm1      6.661 ppm2      4.592 CV     1
 ASSI {  327}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak   327 weight  0.11000E+01 volume  0.13946E-02 ppm1      6.665 ppm2      3.223 CV     1
 ASSI {  328}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 6    and name HB1 ))
      3.200     3.200     2.800 peak   328 weight  0.11000E+01 volume  0.97533E-03 ppm1      6.663 ppm2      3.053 CV     1
 ASSI {  329}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak   329 weight  0.11000E+01 volume  0.54565E-02 ppm1      6.664 ppm2      2.733 CV     1
 ASSI {  330}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.400     1.400 peak   330 weight  0.11000E+01 volume  0.67918E-03 ppm1      6.713 ppm2      4.590 CV     1
 ASSI {  331}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 4    and name HA  ))
      4.900     3.000     1.100 peak   331 weight  0.11000E+01 volume  0.72521E-03 ppm1      6.709 ppm2      5.015 CV     1
 ASSI {  332}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 3    and name HA  ))
      5.000     3.200     1.000 peak   332 weight  0.11000E+01 volume  0.49349E-03 ppm1      6.709 ppm2      4.268 CV     1
 ASSI {  333}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 5    and name HB2 ))
      5.600     3.900     0.400 peak   333 weight  0.11000E+01 volume  0.11151E-02 ppm1      6.713 ppm2      2.392 CV     1
 ASSI {  334}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HB1 ))
      5.300     3.500     0.700 peak   334 weight  0.11000E+01 volume  0.10061E-02 ppm1      6.665 ppm2      2.255 CV     1
 ASSI {  335}
   (( segid "    " and resid 31   and name HE  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.500     1.600     1.600 peak   335 weight  0.11000E+01 volume  0.32760E-02 ppm1      7.211 ppm2      1.715 CV     1
 OR {  335}
   (( segid "    " and resid 32   and name HE  ))
   (( segid "    " and resid 32   and name HB1 ))
 OR {  335}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HB1 ))
 OR {  335}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  336}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 8    and name HG1 ))
      3.300     1.400     1.400 peak   336 weight  0.11000E+01 volume  0.37958E-02 ppm1      7.353 ppm2      0.982 CV     1
 ASSI {  339}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.700     0.900     0.900 peak   339 weight  0.11000E+01 volume  0.88688E-02 ppm1      4.391 ppm2      1.900 CV     1
 OR {  339}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  341}
   (( segid "    " and resid 14   and name HA2 ))
   (( segid "    " and resid 14   and name HA1 ))
      1.600     0.300     0.600 peak   341 weight  0.11000E+01 volume  0.57397E-01 ppm1      4.205 ppm2      3.805 CV     1
 ASSI {  342}
   (( segid "    " and resid 9    and name HA2 ))
   (( segid "    " and resid 9    and name HA1 ))
      1.600     0.300     0.600 peak   342 weight  0.11000E+01 volume  0.56560E-01 ppm1      4.238 ppm2      3.390 CV     1
 ASSI {  343}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HG2%)
      2.700     0.900     0.900 peak   343 weight  0.11000E+01 volume  0.11084E-01 ppm1      4.288 ppm2      1.138 CV     1
 ASSI {  345}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HA1 ))
      5.100     3.300     0.900 peak   345 weight  0.11000E+01 volume  0.12420E-02 ppm1      3.747 ppm2      3.382 CV     1
 ASSI {  346}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.600     1.600     1.600 peak   346 weight  0.11000E+01 volume  0.29642E-02 ppm1      3.301 ppm2      2.938 CV     1
 ASSI {  347}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      2.500     0.800     0.800 peak   347 weight  0.11000E+01 volume  0.65926E-02 ppm1      3.301 ppm2      2.842 CV     1
 ASSI {  348}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     6.000     0.000 peak   348 weight  0.11000E+01 volume  0.19527E-02 ppm1      3.299 ppm2      2.257 CV     1
 ASSI {  349}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      1.500     0.300     0.700 peak   349 weight  0.11000E+01 volume  0.50137E-01 ppm1      2.927 ppm2      2.388 CV     1
 ASSI {  350}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
      1.500     0.300     0.700 peak   350 weight  0.11000E+01 volume  0.50036E-01 ppm1      2.750 ppm2      2.256 CV     1
 ASSI {  351}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      1.600     0.300     0.600 peak   351 weight  0.11000E+01 volume  0.56714E-01 ppm1      3.096 ppm2      2.490 CV     1
 ASSI {  352}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      5.800     4.200     0.200 peak   352 weight  0.11000E+01 volume  0.44172E-03 ppm1      8.570 ppm2      8.098 CV     1
 ASSI {  353}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HB1 ))
      3.800     1.800     1.800 peak   353 weight  0.11000E+01 volume  0.17981E-02 ppm1      7.292 ppm2      3.380 CV     1
 OR {  353}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  354}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HD2 ))
      3.200     1.300     1.300 peak   354 weight  0.11000E+01 volume  0.30006E-02 ppm1      7.286 ppm2      3.233 CV     1
 OR {  354}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HD1 ))
 ASSI {  355}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
      3.900     1.900     1.900 peak   355 weight  0.11000E+01 volume  0.16949E-02 ppm1      7.287 ppm2      3.123 CV     1
 OR {  355}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  356}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.800     1.800     1.800 peak   356 weight  0.11000E+01 volume  0.15796E-02 ppm1      7.282 ppm2      2.201 CV     1
 OR {  356}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  357}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HG1 ))
      3.300     1.400     1.400 peak   357 weight  0.11000E+01 volume  0.21618E-02 ppm1      7.283 ppm2      1.621 CV     1
 ASSI {  358}
   (( segid "    " and resid 18   and name HE  ))
   (( segid "    " and resid 18   and name HG2 ))
      3.900     1.900     1.900 peak   358 weight  0.11000E+01 volume  0.18344E-02 ppm1      7.283 ppm2      1.692 CV     1
 ASSI {  359}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 9    and name HA2 ))
      5.200     3.400     0.800 peak   359 weight  0.11000E+01 volume  0.76914E-03 ppm1      7.290 ppm2      4.238 CV     1
 ASSI {  360}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.900     3.000     1.100 peak   360 weight  0.11000E+01 volume  0.40014E-03 ppm1      7.286 ppm2      4.384 CV     1
 OR {  360}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  361}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HA  ))
      5.100     3.300     0.900 peak   361 weight  0.11000E+01 volume  0.43423E-03 ppm1      7.291 ppm2      4.630 CV     1
 OR {  361}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  362}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.300     2.300     1.700 peak   362 weight  0.11000E+01 volume  0.13519E-02 ppm1      8.914 ppm2      1.834 CV     1
 ASSI {  363}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 15   and name HG1 ))
      4.500     2.500     1.500 peak   363 weight  0.11000E+01 volume  0.45688E-03 ppm1      8.884 ppm2      2.443 CV     1
 ASSI {  364}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      5.500     3.700     0.500 peak   364 weight  0.11000E+01 volume  0.67466E-03 ppm1      8.575 ppm2      2.256 CV     1
 ASSI {  365}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.100     2.100     1.900 peak   365 weight  0.11000E+01 volume  0.83196E-03 ppm1      8.576 ppm2      2.746 CV     1
 ASSI {  366}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      5.100     3.300     0.900 peak   366 weight  0.11000E+01 volume  0.46686E-03 ppm1      8.073 ppm2      1.744 CV     1
 ASSI {  367}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      5.800     4.200     0.200 peak   367 weight  0.11000E+01 volume  0.31949E-03 ppm1      8.413 ppm2      5.638 CV     1
 ASSI {  368}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      5.600     3.900     0.400 peak   368 weight  0.11000E+01 volume  0.36589E-03 ppm1      8.415 ppm2      3.219 CV     1
 ASSI {  369}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.600     3.900     0.400 peak   369 weight  0.11000E+01 volume  0.42292E-03 ppm1      8.487 ppm2      2.843 CV     1
 ASSI {  370}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HD2 ))
      5.300     3.500     0.700 peak   370 weight  0.11000E+01 volume  0.53093E-03 ppm1      8.880 ppm2      3.218 CV     1
 OR {  370}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HD1 ))
 ASSI {  371}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      5.500     3.800     0.500 peak   371 weight  0.11000E+01 volume  0.31264E-03 ppm1      9.899 ppm2      4.730 CV     1
 ASSI {  372}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.400     2.400     1.600 peak   372 weight  0.11000E+01 volume  0.13626E-02 ppm1      8.824 ppm2      8.667 CV     1
 ASSI {  373}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.100     2.100     1.900 peak   373 weight  0.11000E+01 volume  0.10982E-02 ppm1      8.578 ppm2      7.785 CV     1
 ASSI {  374}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.100     2.100     1.900 peak   374 weight  0.11000E+01 volume  0.59399E-03 ppm1      7.892 ppm2      2.479 CV     1
 ASSI {  375}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
      2.200     0.600     0.600 peak   375 weight  0.11000E+01 volume  0.17753E-01 ppm1      5.329 ppm2      3.988 CV     1
 ASSI {  376}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
      2.100     0.600     0.600 peak   376 weight  0.11000E+01 volume  0.13490E-01 ppm1      5.329 ppm2      3.738 CV     1
 ASSI {  377}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 30   and name HD2 ))
      4.400     2.400     1.600 peak   377 weight  0.11000E+01 volume  0.17203E-02 ppm1      7.028 ppm2      3.989 CV     1
 ASSI {  378}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.500     1.500 peak   378 weight  0.11000E+01 volume  0.52780E-03 ppm1      7.351 ppm2      3.751 CV     1
 ASSI {  379}
   (  segid "    " and resid 25   and name HE% )
   (( segid "    " and resid 25   and name HB1 ))
      5.500     3.700     0.500 peak   379 weight  0.11000E+01 volume  0.76552E-03 ppm1      7.350 ppm2      3.028 CV     1
 ASSI {  380}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 30   and name HD1 ))
      4.400     4.400     1.600 peak   380 weight  0.11000E+01 volume  0.83636E-03 ppm1      6.709 ppm2      3.743 CV     1
 ASSI {  381}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 30   and name HD2 ))
      4.600     2.700     1.400 peak   381 weight  0.11000E+01 volume  0.11161E-02 ppm1      6.713 ppm2      3.986 CV     1
 ASSI {  382}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      3.000     1.100     1.100 peak   382 weight  0.11000E+01 volume  0.77752E-02 ppm1      3.725 ppm2      3.200 CV     1
 ASSI {  383}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 29   and name HB2 ))
      4.000     2.000     2.000 peak   383 weight  0.11000E+01 volume  0.65998E-02 ppm1      3.742 ppm2      3.096 CV     1
 ASSI {  384}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      1.600     0.300     0.600 peak   384 weight  0.11000E+01 volume  0.35272E-01 ppm1      3.724 ppm2      2.648 CV     1
 ASSI {  386}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
      4.100     2.100     1.900 peak   386 weight  0.11000E+01 volume  0.89333E-02 ppm1      3.723 ppm2      1.595 CV     1
 ASSI {  387}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 15   and name HG1 ))
      2.600     0.900     0.900 peak   387 weight  0.11000E+01 volume  0.15754E-01 ppm1      3.721 ppm2      2.446 CV     1
 ASSI {  388}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HG2 ))
      3.000     1.100     1.100 peak   388 weight  0.11000E+01 volume  0.76434E-02 ppm1      3.741 ppm2      2.158 CV     1
 ASSI {  389}
   (( segid "    " and resid 22   and name HA2 ))
   (( segid "    " and resid 25   and name HB2 ))
      4.300     2.300     1.700 peak   389 weight  0.11000E+01 volume  0.20846E-02 ppm1      3.989 ppm2      2.843 CV     1
 ASSI {  391}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   391 weight  0.11000E+01 volume  0.12566E-02 ppm1      3.784 ppm2      2.848 CV     1
 ASSI {  393}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      6.000     5.700     0.000 peak   393 weight  0.11000E+01 volume  0.38174E-03 ppm1      8.101 ppm2      7.124 CV     1
 ASSI {  394}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 25   and name HD% )
      6.000     5.400     0.000 peak   394 weight  0.11000E+01 volume  0.19928E-03 ppm1      8.310 ppm2      7.126 CV     1
 ASSI {  395}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      4.900     2.900     1.100 peak   395 weight  0.11000E+01 volume  0.41977E-03 ppm1      8.072 ppm2      7.291 CV     1
 ASSI {  397}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      5.900     4.400     0.100 peak   397 weight  0.11000E+01 volume  0.46557E-03 ppm1      7.615 ppm2      5.326 CV     1
 ASSI {  399}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak   399 weight  0.11000E+01 volume  0.37881E-02 ppm1      9.619 ppm2      8.579 CV     1
 ASSI {  401}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HH21))
      2.800     1.000     1.000 peak   401 weight  0.11000E+01 volume  0.84965E-02 ppm1      9.620 ppm2      6.561 CV     1
 OR {  401}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HH22))
 OR {  401}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HH12))
 ASSI {  402}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   402 weight  0.11000E+01 volume  0.21101E-02 ppm1      9.620 ppm2      5.022 CV     1
 ASSI {  403}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     4.600     0.000 peak   403 weight  0.11000E+01 volume  0.52903E-03 ppm1      9.621 ppm2      4.819 CV     1
 ASSI {  404}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      6.000     4.800     0.000 peak   404 weight  0.11000E+01 volume  0.50439E-03 ppm1      9.499 ppm2      4.079 CV     1
 ASSI {  405}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.800     2.900     1.200 peak   405 weight  0.11000E+01 volume  0.57271E-03 ppm1      9.622 ppm2      3.727 CV     1
 ASSI {  406}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.600     1.600     1.600 peak   406 weight  0.11000E+01 volume  0.26908E-02 ppm1      9.620 ppm2      2.937 CV     1
 ASSI {  407}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.700     1.700     1.700 peak   407 weight  0.11000E+01 volume  0.12813E-02 ppm1      9.620 ppm2      2.394 CV     1
 ASSI {  408}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
      5.600     3.900     0.400 peak   408 weight  0.11000E+01 volume  0.44303E-03 ppm1      9.619 ppm2      1.887 CV     1
 OR {  408}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  409}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HB2 ))
      4.400     2.400     1.600 peak   409 weight  0.11000E+01 volume  0.27404E-02 ppm1      9.621 ppm2      1.733 CV     1
 ASSI {  410}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HB1 ))
      4.800     2.900     1.200 peak   410 weight  0.11000E+01 volume  0.12859E-02 ppm1      9.621 ppm2      1.646 CV     1
 ASSI {  411}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 12   and name HD1 ))
      4.600     2.700     1.400 peak   411 weight  0.11000E+01 volume  0.85318E-03 ppm1      9.619 ppm2      1.546 CV     1
 OR {  411}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {  412}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak   412 weight  0.11000E+01 volume  0.53224E-02 ppm1      9.620 ppm2      1.334 CV     1
 OR {  412}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  413}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.100     1.200     1.200 peak   413 weight  0.11000E+01 volume  0.35760E-02 ppm1      9.621 ppm2      1.411 CV     1
 OR {  413}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HG1 ))
 ASSI {  415}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HG11))
      5.000     3.100     1.000 peak   415 weight  0.11000E+01 volume  0.91635E-03 ppm1      8.482 ppm2      1.185 CV     1
 ASSI {  416}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.500     0.800     0.800 peak   416 weight  0.11000E+01 volume  0.96924E-02 ppm1      8.678 ppm2      1.560 CV     1
 OR {  416}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  417}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      2.600     0.800     0.800 peak   417 weight  0.11000E+01 volume  0.47581E-02 ppm1      8.679 ppm2      1.644 CV     1
 ASSI {  418}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
      3.100     1.200     1.200 peak   418 weight  0.11000E+01 volume  0.69264E-02 ppm1      8.445 ppm2      1.575 CV     1
 OR {  418}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG1 ))
 ASSI {  419}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.800     1.000     1.000 peak   419 weight  0.11000E+01 volume  0.13517E-01 ppm1      8.513 ppm2      1.743 CV     1
 ASSI {  422}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.900     1.900     1.900 peak   422 weight  0.11000E+01 volume  0.12734E-02 ppm1      9.336 ppm2      1.738 CV     1
 ASSI {  424}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      5.800     4.200     0.200 peak   424 weight  0.11000E+01 volume  0.41262E-03 ppm1      8.792 ppm2      9.139 CV     1
 ASSI {  433}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      4.300     2.300     1.700 peak   433 weight  0.11000E+01 volume  0.11599E-02 ppm1      9.011 ppm2      9.903 CV     1
 ASSI {  440}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.300     2.300     1.700 peak   440 weight  0.11000E+01 volume  0.17077E-02 ppm1      8.075 ppm2      8.832 CV     1
 ASSI {  445}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.300     2.300     1.700 peak   445 weight  0.11000E+01 volume  0.18142E-02 ppm1      7.758 ppm2      8.409 CV     1
 ASSI {  450}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.400     2.400     1.600 peak   450 weight  0.11000E+01 volume  0.62320E-03 ppm1      7.798 ppm2      8.289 CV     1
 OR {  450}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  452}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HD2 ))
      4.900     3.000     1.100 peak   452 weight  0.11000E+01 volume  0.67306E-03 ppm1      7.811 ppm2      3.209 CV     1
 OR {  452}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HD1 ))
 ASSI {  453}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HD1 ))
      5.400     3.700     0.600 peak   453 weight  0.11000E+01 volume  0.57342E-03 ppm1      7.893 ppm2      3.177 CV     1
 OR {  453}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HD2 ))
 ASSI {  454}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      2.700     2.700     3.300 peak   454 weight  0.11000E+01 volume  0.25735E-02 ppm1      8.411 ppm2      0.856 CV     1
 ASSI {  455}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HD2%)
      3.800     1.800     1.800 peak   455 weight  0.11000E+01 volume  0.46529E-02 ppm1      8.264 ppm2      0.863 CV     1
 OR {  455}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
 ASSI {  456}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HD1%)
      3.500     1.500     1.500 peak   456 weight  0.11000E+01 volume  0.56135E-02 ppm1      8.274 ppm2      0.915 CV     1
 ASSI {  457}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HD2%)
      3.000     3.000     3.000 peak   457 weight  0.11000E+01 volume  0.13435E-02 ppm1      7.610 ppm2      0.871 CV     1
 OR {  457}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
 ASSI {  458}
   (( segid "    " and resid 32   and name HE  ))
   (( segid "    " and resid 32   and name HG2 ))
      2.800     0.900     0.900 peak   458 weight  0.11000E+01 volume  0.78159E-02 ppm1      7.211 ppm2      1.551 CV     1
 OR {  458}
   (( segid "    " and resid 32   and name HE  ))
   (( segid "    " and resid 32   and name HG1 ))
 OR {  458}
   (( segid "    " and resid 13   and name HE  ))
   (( segid "    " and resid 13   and name HG1 ))
 OR {  458}
   (( segid "    " and resid 31   and name HE  ))
   (( segid "    " and resid 31   and name HG1 ))
 OR {  458}
   (( segid "    " and resid 13   and name HE  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  458}
   (( segid "    " and resid 31   and name HE  ))
   (( segid "    " and resid 31   and name HG2 ))
 OR {  458}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HG2 ))
 OR {  458}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI {  459}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 7    and name HG1 ))
      4.900     3.000     1.100 peak   459 weight  0.11000E+01 volume  0.99168E-03 ppm1      7.026 ppm2      1.434 CV     1
 OR {  459}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  460}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 8    and name HB2 ))
      3.500     1.500     1.500 peak   460 weight  0.11000E+01 volume  0.12809E-02 ppm1      7.128 ppm2      1.551 CV     1
 OR {  460}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  461}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 4    and name HB1 ))
      5.700     4.100     0.300 peak   461 weight  0.11000E+01 volume  0.58797E-03 ppm1      7.028 ppm2      1.672 CV     1
 ASSI {  462}
   (( segid "    " and resid 31   and name HE  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.600     1.600     1.600 peak   462 weight  0.11000E+01 volume  0.26632E-02 ppm1      7.214 ppm2      1.850 CV     1
 OR {  462}
   (( segid "    " and resid 32   and name HE  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  462}
   (( segid "    " and resid 24   and name HE  ))
   (( segid "    " and resid 24   and name HB1 ))
 OR {  462}
   (( segid "    " and resid 13   and name HE  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  463}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 30   and name HG1 ))
      4.700     2.700     1.300 peak   463 weight  0.11000E+01 volume  0.61629E-03 ppm1      7.024 ppm2      2.252 CV     1
 ASSI {  464}
   (( segid "    " and resid 31   and name HE  ))
   (( segid "    " and resid 31   and name HD2 ))
      2.500     0.800     0.800 peak   464 weight  0.11000E+01 volume  0.13351E-01 ppm1      7.211 ppm2      3.174 CV     1
 OR {  464}
   (( segid "    " and resid 32   and name HE  ))
   (( segid "    " and resid 32   and name HD1 ))
 OR {  464}
   (( segid "    " and resid 32   and name HE  ))
   (( segid "    " and resid 32   and name HD2 ))
 OR {  464}
   (( segid "    " and resid 31   and name HE  ))
   (( segid "    " and resid 31   and name HD1 ))
 OR {  464}
   (( segid "    " and resid 13   and name HE  ))
   (( segid "    " and resid 13   and name HD2 ))
 OR {  464}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HD1 ))
 OR {  464}
   (( segid "    " and resid 13   and name HE  ))
   (( segid "    " and resid 13   and name HD1 ))
 ASSI {  465}
   (( segid "    " and resid 13   and name HE  ))
   (( segid "    " and resid 13   and name HD2 ))
      3.000     1.100     1.100 peak   465 weight  0.11000E+01 volume  0.42027E-02 ppm1      7.186 ppm2      3.215 CV     1
 OR {  465}
   (( segid "    " and resid 13   and name HE  ))
   (( segid "    " and resid 13   and name HD1 ))
 ASSI {  466}
   (( segid "    " and resid 31   and name HE  ))
   (( segid "    " and resid 31   and name HA  ))
      5.300     3.500     0.700 peak   466 weight  0.11000E+01 volume  0.75796E-03 ppm1      7.210 ppm2      4.115 CV     1
 ASSI {  467}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 7    and name HH21))
      3.800     1.800     1.800 peak   467 weight  0.11000E+01 volume  0.29138E-02 ppm1      7.028 ppm2      6.562 CV     1
 OR {  467}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 7    and name HH22))
 OR {  467}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 7    and name HH12))
 OR {  467}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 7    and name HH11))
 ASSI {  468}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 27   and name HD% )
      5.200     3.400     0.800 peak   468 weight  0.11000E+01 volume  0.17429E-02 ppm1      7.603 ppm2      6.913 CV     1
 ASSI {  472}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   472 weight  0.11000E+01 volume  0.11181E-02 ppm1      7.130 ppm2      8.274 CV     1
 ASSI {  473}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HN  ))
      4.800     2.900     1.200 peak   473 weight  0.11000E+01 volume  0.11755E-02 ppm1      6.905 ppm2      8.411 CV     1
 ASSI {  474}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 5    and name HN  ))
      5.300     3.500     0.700 peak   474 weight  0.11000E+01 volume  0.57674E-03 ppm1      6.898 ppm2      8.784 CV     1
 ASSI {  475}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 20   and name HN  ))
      3.500     3.500     2.500 peak   475 weight  0.11000E+01 volume  0.57271E-03 ppm1      6.902 ppm2      8.575 CV     1
 ASSI {  477}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.600     0.000 peak   477 weight  0.11000E+01 volume  0.46961E-03 ppm1      7.127 ppm2      8.831 CV     1
 ASSI {  478}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 8    and name HN  ))
      4.200     2.200     1.800 peak   478 weight  0.11000E+01 volume  0.11010E-02 ppm1      7.130 ppm2      8.673 CV     1
 ASSI {  479}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 24   and name HN  ))
      3.900     1.900     1.900 peak   479 weight  0.11000E+01 volume  0.89031E-03 ppm1      7.131 ppm2      8.487 CV     1
 ASSI {  482}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 6    and name HN  ))
      5.100     3.200     0.900 peak   482 weight  0.11000E+01 volume  0.65922E-03 ppm1      6.897 ppm2      9.137 CV     1
 ASSI {  483}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 6    and name HN  ))
      4.400     2.500     1.600 peak   483 weight  0.11000E+01 volume  0.19248E-02 ppm1      7.029 ppm2      9.138 CV     1
 ASSI {  484}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HN  ))
      5.800     4.200     0.200 peak   484 weight  0.11000E+01 volume  0.40456E-03 ppm1      7.216 ppm2      9.098 CV     1
 ASSI {  486}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.400     1.400 peak   486 weight  0.11000E+01 volume  0.74841E-03 ppm1      6.900 ppm2      9.498 CV     1
 ASSI {  487}
   (  segid "    " and resid 5    and name HD% )
   (( segid "    " and resid 7    and name HE  ))
      4.700     2.800     1.300 peak   487 weight  0.11000E+01 volume  0.91961E-03 ppm1      7.030 ppm2      9.622 CV     1
 ASSI {  490}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 7    and name HE  ))
      2.900     1.000     1.000 peak   490 weight  0.11000E+01 volume  0.66669E-02 ppm1      6.561 ppm2      9.621 CV     1
 OR {  490}
   (( segid "    " and resid 7    and name HH22))
   (( segid "    " and resid 7    and name HE  ))
 OR {  490}
   (( segid "    " and resid 7    and name HH12))
   (( segid "    " and resid 7    and name HE  ))
 ASSI {  491}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 6    and name HN  ))
      3.600     1.600     1.600 peak   491 weight  0.11000E+01 volume  0.45711E-03 ppm1      6.666 ppm2      9.141 CV     1
 ASSI {  492}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.500     1.500 peak   492 weight  0.11000E+01 volume  0.55147E-03 ppm1      6.666 ppm2      9.015 CV     1
 ASSI {  493}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.500     0.000 peak   493 weight  0.11000E+01 volume  0.30343E-03 ppm1      6.706 ppm2      8.786 CV     1
 ASSI {  494}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 5    and name HN  ))
      3.600     1.600     1.600 peak   494 weight  0.11000E+01 volume  0.45787E-03 ppm1      6.666 ppm2      8.787 CV     1
 ASSI {  496}
   (( segid "    " and resid 7    and name HH21))
   (  segid "    " and resid 5    and name HD% )
      3.400     1.400     1.400 peak   496 weight  0.11000E+01 volume  0.70065E-03 ppm1      6.559 ppm2      7.026 CV     1
 OR {  496}
   (( segid "    " and resid 7    and name HH22))
   (  segid "    " and resid 5    and name HD% )
 OR {  496}
   (( segid "    " and resid 7    and name HH12))
   (  segid "    " and resid 5    and name HD% )
 ASSI {  497}
   (  segid "    " and resid 27   and name HE% )
   (  segid "    " and resid 27   and name HD% )
      2.100     0.500     0.500 peak   497 weight  0.11000E+01 volume  0.34230E-01 ppm1      6.665 ppm2      6.902 CV     1
 ASSI {  498}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 11   and name HA  ))
      5.500     3.800     0.500 peak   498 weight  0.11000E+01 volume  0.48406E-03 ppm1      6.559 ppm2      5.019 CV     1
 OR {  498}
   (( segid "    " and resid 7    and name HH12))
   (( segid "    " and resid 11   and name HA  ))
 OR {  498}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  499}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 19   and name HA1 ))
      4.800     2.900     1.200 peak   499 weight  0.11000E+01 volume  0.27647E-03 ppm1      6.896 ppm2      4.082 CV     1
 ASSI {  500}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 7    and name HD2 ))
      2.600     0.900     0.900 peak   500 weight  0.11000E+01 volume  0.12813E-01 ppm1      6.561 ppm2      3.231 CV     1
 OR {  500}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 7    and name HD1 ))
 OR {  500}
   (( segid "    " and resid 7    and name HH12))
   (( segid "    " and resid 7    and name HD2 ))
 OR {  500}
   (( segid "    " and resid 7    and name HH12))
   (( segid "    " and resid 7    and name HD1 ))
 OR {  500}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 7    and name HD2 ))
 OR {  500}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 7    and name HD1 ))
 ASSI {  501}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 5    and name HB1 ))
      4.000     2.000     2.000 peak   501 weight  0.11000E+01 volume  0.13202E-02 ppm1      6.562 ppm2      2.933 CV     1
 OR {  501}
   (( segid "    " and resid 7    and name HH22))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  501}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  501}
   (( segid "    " and resid 7    and name HH12))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  503}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 6    and name HB2 ))
      4.500     2.500     1.500 peak   503 weight  0.11000E+01 volume  0.30475E-03 ppm1      6.667 ppm2      2.939 CV     1
 ASSI {  504}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 5    and name HB2 ))
      4.200     2.200     1.800 peak   504 weight  0.11000E+01 volume  0.11164E-02 ppm1      6.562 ppm2      2.393 CV     1
 OR {  504}
   (( segid "    " and resid 7    and name HH22))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  504}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 5    and name HB2 ))
 OR {  504}
   (( segid "    " and resid 7    and name HH12))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  505}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 30   and name HG1 ))
      3.900     1.900     1.900 peak   505 weight  0.11000E+01 volume  0.10982E-02 ppm1      6.713 ppm2      2.253 CV     1
 ASSI {  506}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 30   and name HG2 ))
      4.700     2.800     1.300 peak   506 weight  0.11000E+01 volume  0.78177E-03 ppm1      6.713 ppm2      2.159 CV     1
 ASSI {  507}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 18   and name HB1 ))
      3.000     3.000     3.000 peak   507 weight  0.11000E+01 volume  0.12665E-02 ppm1      6.665 ppm2      2.208 CV     1
 OR {  507}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  508}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 7    and name HB2 ))
      3.600     1.600     1.600 peak   508 weight  0.11000E+01 volume  0.80257E-02 ppm1      6.560 ppm2      1.729 CV     1
 OR {  508}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  509}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 7    and name HB1 ))
      4.400     2.400     1.600 peak   509 weight  0.11000E+01 volume  0.17835E-02 ppm1      6.561 ppm2      1.646 CV     1
 OR {  509}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {  511}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 3    and name HB2 ))
      3.300     1.400     1.400 peak   511 weight  0.11000E+01 volume  0.32044E-02 ppm1      6.711 ppm2      1.483 CV     1
 OR {  511}
   (  segid "    " and resid 5    and name HE% )
   (( segid "    " and resid 3    and name HB1 ))
 ASSI {  512}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 7    and name HG1 ))
      3.900     1.900     1.900 peak   512 weight  0.11000E+01 volume  0.30983E-02 ppm1      6.561 ppm2      1.416 CV     1
 OR {  512}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 7    and name HG2 ))
 OR {  512}
   (( segid "    " and resid 7    and name HH12))
   (( segid "    " and resid 7    and name HG1 ))
 OR {  512}
   (( segid "    " and resid 7    and name HH12))
   (( segid "    " and resid 7    and name HG2 ))
 OR {  512}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  513}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 12   and name HG2 ))
      3.500     1.600     1.600 peak   513 weight  0.11000E+01 volume  0.19449E-02 ppm1      6.562 ppm2      1.337 CV     1
 OR {  513}
   (( segid "    " and resid 7    and name HH21))
   (( segid "    " and resid 12   and name HG1 ))
 OR {  513}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  513}
   (( segid "    " and resid 7    and name HH12))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  513}
   (( segid "    " and resid 7    and name HH11))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  514}
   (  segid "    " and resid 5    and name HE% )
   (  segid "    " and resid 3    and name HD1%)
      2.800     2.800     3.200 peak   514 weight  0.11000E+01 volume  0.20349E-02 ppm1      6.707 ppm2      0.846 CV     1
 OR {  514}
   (  segid "    " and resid 5    and name HE% )
   (  segid "    " and resid 3    and name HD2%)
 ASSI {  515}
   (  segid "    " and resid 5    and name HD% )
   (  segid "    " and resid 3    and name HD1%)
      3.500     3.500     2.500 peak   515 weight  0.11000E+01 volume  0.51360E-03 ppm1      7.031 ppm2      0.872 CV     1
 OR {  515}
   (  segid "    " and resid 5    and name HD% )
   (  segid "    " and resid 3    and name HD2%)
 ASSI {  516}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      5.600     3.900     0.400 peak   516 weight  0.11000E+01 volume  0.55104E-03 ppm1      5.632 ppm2      1.645 CV     1
 OR {  516}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  517}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      5.700     4.100     0.300 peak   517 weight  0.11000E+01 volume  0.10008E-02 ppm1      5.332 ppm2      2.160 CV     1
 ASSI {  518}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      5.400     3.700     0.600 peak   518 weight  0.11000E+01 volume  0.11460E-02 ppm1      5.329 ppm2      2.253 CV     1
 ASSI {  519}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     6.000     0.000 peak   519 weight  0.11000E+01 volume  0.17308E-03 ppm1      5.639 ppm2      2.256 CV     1
 ASSI {  527}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HD1%)
      3.200     1.300     1.300 peak   527 weight  0.11000E+01 volume  0.11203E-01 ppm1      4.058 ppm2      0.917 CV     1
 ASSI {  528}
   (( segid "    " and resid 9    and name HA2 ))
   (( segid "    " and resid 8    and name HG2 ))
      4.100     2.100     1.900 peak   528 weight  0.11000E+01 volume  0.15533E-02 ppm1      4.240 ppm2      0.977 CV     1
 OR {  528}
   (( segid "    " and resid 9    and name HA2 ))
   (( segid "    " and resid 8    and name HG1 ))
 ASSI {  529}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG11))
      3.300     1.300     1.300 peak   529 weight  0.11000E+01 volume  0.55169E-02 ppm1      4.057 ppm2      1.186 CV     1
 ASSI {  530}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG1 ))
      2.700     0.900     0.900 peak   530 weight  0.11000E+01 volume  0.58626E-02 ppm1      3.760 ppm2      0.980 CV     1
 OR {  530}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG2 ))
 ASSI {  532}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.500     0.800     0.800 peak   532 weight  0.11000E+01 volume  0.76177E-02 ppm1      3.766 ppm2      1.565 CV     1
 OR {  532}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  533}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.400     1.400     1.400 peak   533 weight  0.11000E+01 volume  0.86897E-02 ppm1      4.020 ppm2      1.526 CV     1
 OR {  533}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  534}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG12))
      2.900     1.000     1.000 peak   534 weight  0.11000E+01 volume  0.65092E-02 ppm1      4.057 ppm2      1.485 CV     1
 ASSI {  535}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG1 ))
      3.000     1.100     1.100 peak   535 weight  0.11000E+01 volume  0.84275E-02 ppm1      4.118 ppm2      1.571 CV     1
 OR {  535}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI {  537}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.600     0.800     0.800 peak   537 weight  0.11000E+01 volume  0.12327E-01 ppm1      4.266 ppm2      1.475 CV     1
 OR {  537}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  537}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG  ))
 ASSI {  538}
   (  segid "    " and resid 17   and name HG1%)
   (( segid "    " and resid 17   and name HB  ))
      2.500     0.800     0.800 peak   538 weight  0.11000E+01 volume  0.15815E-01 ppm1      1.205 ppm2      2.156 CV     1
 ASSI {  539}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB1 ))
      2.800     1.000     1.000 peak   539 weight  0.11000E+01 volume  0.66185E-02 ppm1      4.352 ppm2      1.573 CV     1
 OR {  539}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {  540}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak   540 weight  0.11000E+01 volume  0.23375E-02 ppm1      4.287 ppm2      1.627 CV     1
 OR {  540}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  541}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.100     1.200     1.200 peak   541 weight  0.11000E+01 volume  0.45477E-02 ppm1      4.179 ppm2      1.718 CV     1
 ASSI {  542}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 18   and name HG1 ))
      2.500     2.500     3.500 peak   542 weight  0.11000E+01 volume  0.41367E-02 ppm1      4.089 ppm2      1.617 CV     1
 ASSI {  543}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.000     1.100     1.100 peak   543 weight  0.11000E+01 volume  0.65521E-02 ppm1      4.111 ppm2      1.697 CV     1
 ASSI {  544}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.500     0.800     0.800 peak   544 weight  0.11000E+01 volume  0.96891E-02 ppm1      4.088 ppm2      1.742 CV     1
 ASSI {  545}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.800     0.800 peak   545 weight  0.11000E+01 volume  0.11423E-01 ppm1      4.118 ppm2      1.809 CV     1
 ASSI {  546}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.200     1.300     1.300 peak   546 weight  0.11000E+01 volume  0.41481E-02 ppm1      4.177 ppm2      1.847 CV     1
 ASSI {  547}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.600     0.800     0.800 peak   547 weight  0.11000E+01 volume  0.12848E-01 ppm1      4.090 ppm2      1.836 CV     1
 ASSI {  548}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      2.900     1.000     1.000 peak   548 weight  0.11000E+01 volume  0.82346E-02 ppm1      4.062 ppm2      1.878 CV     1
 ASSI {  549}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.500     0.800     0.800 peak   549 weight  0.11000E+01 volume  0.12420E-01 ppm1      4.020 ppm2      1.843 CV     1
 OR {  549}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  550}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HB1 ))
      4.800     2.800     1.200 peak   550 weight  0.11000E+01 volume  0.14553E-02 ppm1      3.990 ppm2      2.032 CV     1
 ASSI {  551}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 2    and name HB2 ))
      5.100     3.300     0.900 peak   551 weight  0.11000E+01 volume  0.10801E-02 ppm1      3.843 ppm2      1.586 CV     1
 OR {  551}
   (( segid "    " and resid 1    and name HA2 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  551}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 2    and name HB1 ))
 OR {  551}
   (( segid "    " and resid 1    and name HA2 ))
   (( segid "    " and resid 2    and name HB1 ))
 OR {  551}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 2    and name HG  ))
 ASSI {  552}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HB1 ))
      3.500     1.600     1.600 peak   552 weight  0.11000E+01 volume  0.39522E-02 ppm1      3.738 ppm2      2.040 CV     1
 ASSI {  553}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB  ))
      3.100     1.200     1.200 peak   553 weight  0.11000E+01 volume  0.44140E-02 ppm1      4.299 ppm2      2.164 CV     1
 ASSI {  554}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HG2 ))
      2.600     0.800     0.800 peak   554 weight  0.11000E+01 volume  0.51555E-02 ppm1      3.990 ppm2      2.155 CV     1
 ASSI {  555}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HG1 ))
      3.000     1.100     1.100 peak   555 weight  0.11000E+01 volume  0.78310E-02 ppm1      3.993 ppm2      2.254 CV     1
 ASSI {  558}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      5.600     4.000     0.400 peak   558 weight  0.11000E+01 volume  0.80916E-03 ppm1      4.274 ppm2      2.726 CV     1
 ASSI {  559}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HD1 ))
      4.700     2.800     1.300 peak   559 weight  0.11000E+01 volume  0.11916E-02 ppm1      4.181 ppm2      3.196 CV     1
 OR {  559}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HD2 ))
 ASSI {  560}
   (( segid "    " and resid 22   and name HA2 ))
   (( segid "    " and resid 22   and name HA1 ))
      1.400     0.200     0.800 peak   560 weight  0.11000E+01 volume  0.88919E-01 ppm1      3.984 ppm2      3.767 CV     1
 ASSI {  563}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HA2 ))
      1.600     0.300     0.600 peak   563 weight  0.11000E+01 volume  0.55303E-01 ppm1      4.079 ppm2      4.518 CV     1
 ASSI {  564}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   564 weight  0.11000E+01 volume  0.10902E-02 ppm1      3.739 ppm2      4.641 CV     1
 ASSI {  565}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HA  ))
      4.700     2.700     1.300 peak   565 weight  0.11000E+01 volume  0.95822E-03 ppm1      3.991 ppm2      4.643 CV     1
 ASSI {  566}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak   566 weight  0.11000E+01 volume  0.34863E-03 ppm1      4.118 ppm2      4.643 CV     1
 ASSI {  567}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      4.300     2.300     1.700 peak   567 weight  0.11000E+01 volume  0.12984E-02 ppm1      4.287 ppm2      4.735 CV     1
 ASSI {  568}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      4.200     2.200     1.800 peak   568 weight  0.11000E+01 volume  0.14106E-02 ppm1      3.095 ppm2      5.017 CV     1
 ASSI {  571}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.400     1.400 peak   571 weight  0.11000E+01 volume  0.29491E-02 ppm1      3.989 ppm2      5.010 CV     1
 ASSI {  572}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.800     0.800 peak   572 weight  0.11000E+01 volume  0.91615E-02 ppm1      3.727 ppm2      5.018 CV     1
 ASSI {  573}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      2.600     0.900     0.900 peak   573 weight  0.11000E+01 volume  0.43529E-02 ppm1      3.757 ppm2      5.096 CV     1
 ASSI {  579}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   579 weight  0.11000E+01 volume  0.45772E-02 ppm1      2.950 ppm2      5.085 CV     1
 ASSI {  581}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700 peak   581 weight  0.11000E+01 volume  0.84409E-02 ppm1      3.031 ppm2      5.088 CV     1
 ASSI {  582}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.000     1.000 peak   582 weight  0.11000E+01 volume  0.73078E-02 ppm1      3.198 ppm2      5.088 CV     1
 ASSI {  583}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   583 weight  0.11000E+01 volume  0.13941E-01 ppm1      3.230 ppm2      5.021 CV     1
 OR {  583}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  584}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   584 weight  0.11000E+01 volume  0.12246E-01 ppm1      3.221 ppm2      4.901 CV     1
 ASSI {  585}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   585 weight  0.11000E+01 volume  0.97867E-02 ppm1      3.299 ppm2      4.899 CV     1
 ASSI {  586}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   586 weight  0.11000E+01 volume  0.56462E-02 ppm1      3.237 ppm2      4.747 CV     1
 OR {  586}
   (( segid "    " and resid 18   and name HD1 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  587}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 16   and name HA  ))
      4.100     2.100     1.900 peak   587 weight  0.11000E+01 volume  0.23848E-02 ppm1      3.181 ppm2      4.730 CV     1
 OR {  587}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  588}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   588 weight  0.11000E+01 volume  0.10254E-01 ppm1      3.376 ppm2      4.631 CV     1
 ASSI {  589}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   589 weight  0.11000E+01 volume  0.92342E-02 ppm1      3.115 ppm2      4.639 CV     1
 ASSI {  590}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak   590 weight  0.11000E+01 volume  0.10406E-01 ppm1      2.933 ppm2      4.588 CV     1
 ASSI {  591}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      5.700     4.000     0.300 peak   591 weight  0.11000E+01 volume  0.94268E-03 ppm1      3.047 ppm2      4.588 CV     1
 ASSI {  593}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HA  ))
      4.400     2.400     1.600 peak   593 weight  0.11000E+01 volume  0.24703E-02 ppm1      3.177 ppm2      4.122 CV     1
 OR {  593}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  594}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.900     3.000     1.100 peak   594 weight  0.11000E+01 volume  0.12056E-02 ppm1      3.219 ppm2      4.084 CV     1
 OR {  594}
   (( segid "    " and resid 13   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  595}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
      4.300     2.300     1.700 peak   595 weight  0.11000E+01 volume  0.25565E-02 ppm1      3.097 ppm2      3.987 CV     1
 ASSI {  596}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 22   and name HA2 ))
      6.000     5.700     0.000 peak   596 weight  0.11000E+01 volume  0.71950E-03 ppm1      3.024 ppm2      3.990 CV     1
 ASSI {  597}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.400     1.400 peak   597 weight  0.11000E+01 volume  0.13419E-02 ppm1      2.941 ppm2      3.726 CV     1
 ASSI {  600}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HB2 ))
      1.300     0.200     0.900 peak   600 weight  0.11000E+01 volume  0.10031E+00 ppm1      3.301 ppm2      3.217 CV     1
 ASSI {  601}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      1.700     0.300     0.500 peak   601 weight  0.11000E+01 volume  0.43232E-01 ppm1      3.127 ppm2      3.375 CV     1
 ASSI {  602}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 21   and name HB1 ))
      2.600     0.800     0.800 peak   602 weight  0.11000E+01 volume  0.39403E-02 ppm1      3.034 ppm2      3.307 CV     1
 ASSI {  604}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HB1 ))
      1.600     0.300     0.600 peak   604 weight  0.11000E+01 volume  0.38247E-01 ppm1      2.947 ppm2      3.196 CV     1
 ASSI {  605}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HB1 ))
      1.600     0.300     0.600 peak   605 weight  0.11000E+01 volume  0.61280E-01 ppm1      2.946 ppm2      3.051 CV     1
 ASSI {  607}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
      2.600     0.900     0.900 peak   607 weight  0.11000E+01 volume  0.45622E-02 ppm1      3.303 ppm2      3.039 CV     1
 OR {  607}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  611}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
      4.100     2.100     1.900 peak   611 weight  0.11000E+01 volume  0.45624E-02 ppm1      3.228 ppm2      2.844 CV     1
 ASSI {  614}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
      5.100     3.300     0.900 peak   614 weight  0.11000E+01 volume  0.30890E-02 ppm1      3.218 ppm2      2.255 CV     1
 ASSI {  615}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HB2 ))
      2.800     1.000     1.000 peak   615 weight  0.11000E+01 volume  0.89716E-02 ppm1      3.209 ppm2      1.839 CV     1
 OR {  615}
   (( segid "    " and resid 13   and name HD1 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  616}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HB2 ))
      3.000     1.100     1.100 peak   616 weight  0.11000E+01 volume  0.62393E-02 ppm1      3.165 ppm2      1.812 CV     1
 OR {  616}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  616}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  616}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  617}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.300     0.700     0.700 peak   617 weight  0.11000E+01 volume  0.29339E-01 ppm1      3.217 ppm2      1.734 CV     1
 OR {  617}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB2 ))
 OR {  617}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  617}
   (( segid "    " and resid 13   and name HD1 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  618}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HB1 ))
      2.600     0.900     0.900 peak   618 weight  0.11000E+01 volume  0.17131E-01 ppm1      3.181 ppm2      1.713 CV     1
 OR {  618}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HB1 ))
 OR {  618}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 31   and name HB1 ))
 OR {  618}
   (( segid "    " and resid 31   and name HD1 ))
   (( segid "    " and resid 31   and name HB1 ))
 OR {  618}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  618}
   (( segid "    " and resid 16   and name HD1 ))
   (( segid "    " and resid 16   and name HB1 ))
 OR {  618}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  623}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 7    and name HG1 ))
      3.000     1.100     1.100 peak   623 weight  0.11000E+01 volume  0.68097E-02 ppm1      2.938 ppm2      1.412 CV     1
 OR {  623}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  624}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 7    and name HG1 ))
      2.500     0.800     0.800 peak   624 weight  0.11000E+01 volume  0.10956E-01 ppm1      3.230 ppm2      1.414 CV     1
 OR {  624}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 7    and name HG2 ))
 OR {  624}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG1 ))
 OR {  624}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  625}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.600     0.800     0.800 peak   625 weight  0.11000E+01 volume  0.59069E-02 ppm1      3.229 ppm2      1.335 CV     1
 OR {  625}
   (( segid "    " and resid 13   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  626}
   (( segid "    " and resid 9    and name HA1 ))
   (( segid "    " and resid 8    and name HG2 ))
      3.700     1.700     1.700 peak   626 weight  0.11000E+01 volume  0.10613E-02 ppm1      3.386 ppm2      0.982 CV     1
 ASSI {  627}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 26   and name HD1%)
      4.700     4.700     1.300 peak   627 weight  0.11000E+01 volume  0.16537E-02 ppm1      3.378 ppm2      0.808 CV     1
 ASSI {  628}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
      5.500     5.500     0.500 peak   628 weight  0.11000E+01 volume  0.72771E-03 ppm1      3.112 ppm2      0.809 CV     1
 ASSI {  629}
   (( segid "    " and resid 24   and name HD1 ))
   (  segid "    " and resid 23   and name HG2%)
      3.300     3.300     2.700 peak   629 weight  0.11000E+01 volume  0.83246E-03 ppm1      3.094 ppm2      0.879 CV     1
 OR {  629}
   (( segid "    " and resid 24   and name HD2 ))
   (  segid "    " and resid 23   and name HG2%)
 ASSI {  630}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 8    and name HG2 ))
      3.200     1.300     1.300 peak   630 weight  0.11000E+01 volume  0.47657E-02 ppm1      2.843 ppm2      0.980 CV     1
 OR {  630}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 8    and name HG2 ))
 OR {  630}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 8    and name HG1 ))
 OR {  630}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 8    and name HG1 ))
 ASSI {  631}
   (( segid "    " and resid 17   and name HB  ))
   (  segid "    " and resid 17   and name HG2%)
      2.400     0.700     0.700 peak   631 weight  0.11000E+01 volume  0.17329E-01 ppm1      2.143 ppm2      1.134 CV     1
 ASSI {  633}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 7    and name HG1 ))
      3.300     1.400     1.400 peak   633 weight  0.11000E+01 volume  0.38078E-02 ppm1      2.390 ppm2      1.415 CV     1
 OR {  633}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  634}
   (( segid "    " and resid 15   and name HG1 ))
   (( segid "    " and resid 12   and name HG2 ))
      3.000     3.000     3.000 peak   634 weight  0.11000E+01 volume  0.13627E-02 ppm1      2.449 ppm2      1.347 CV     1
 OR {  634}
   (( segid "    " and resid 15   and name HG1 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  636}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 12   and name HG1 ))
      3.200     1.300     1.300 peak   636 weight  0.11000E+01 volume  0.45828E-02 ppm1      2.858 ppm2      1.339 CV     1
 OR {  636}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HG1 ))
 OR {  636}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  636}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  637}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.400     0.700     0.700 peak   637 weight  0.11000E+01 volume  0.19861E-01 ppm1      2.846 ppm2      1.541 CV     1
 OR {  637}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HD2 ))
 OR {  637}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 12   and name HD1 ))
 OR {  637}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 12   and name HD2 ))
 OR {  637}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  637}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  638}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 12   and name HB1 ))
      4.600     2.600     1.400 peak   638 weight  0.11000E+01 volume  0.14136E-02 ppm1      2.846 ppm2      1.880 CV     1
 OR {  638}
   (( segid "    " and resid 12   and name HE1 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  638}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  638}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  639}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      1.500     0.300     0.700 peak   639 weight  0.11000E+01 volume  0.50125E-01 ppm1      2.729 ppm2      1.668 CV     1
 ASSI {  640}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
      4.200     2.200     1.800 peak   640 weight  0.11000E+01 volume  0.47949E-02 ppm1      2.652 ppm2      1.595 CV     1
 ASSI {  641}
   (( segid "    " and resid 15   and name HG1 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.200     2.200     3.800 peak   641 weight  0.11000E+01 volume  0.37383E-01 ppm1      2.455 ppm2      1.594 CV     1
 ASSI {  642}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HG1 ))
      2.000     0.500     0.500 peak   642 weight  0.11000E+01 volume  0.49894E-01 ppm1      2.197 ppm2      1.628 CV     1
 OR {  642}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG1 ))
 ASSI {  644}
   (( segid "    " and resid 15   and name HG1 ))
   (( segid "    " and resid 15   and name HB1 ))
      2.700     0.900     0.900 peak   644 weight  0.11000E+01 volume  0.11041E-01 ppm1      2.454 ppm2      1.858 CV     1
 ASSI {  646}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HB1 ))
      2.200     0.600     0.600 peak   646 weight  0.11000E+01 volume  0.13789E-01 ppm1      2.248 ppm2      2.042 CV     1
 ASSI {  647}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.800     0.800 peak   647 weight  0.11000E+01 volume  0.21587E-01 ppm1      2.150 ppm2      2.033 CV     1
 ASSI {  648}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HG2 ))
      1.400     0.200     0.800 peak   648 weight  0.11000E+01 volume  0.71070E-01 ppm1      2.249 ppm2      2.159 CV     1
 ASSI {  650}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG1 ))
      2.900     1.000     1.000 peak   650 weight  0.11000E+01 volume  0.94930E-02 ppm1      2.479 ppm2      2.254 CV     1
 ASSI {  651}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
      2.600     0.800     0.800 peak   651 weight  0.11000E+01 volume  0.58699E-02 ppm1      2.483 ppm2      2.162 CV     1
 ASSI {  652}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      1.500     0.300     0.700 peak   652 weight  0.11000E+01 volume  0.46190E-01 ppm1      2.489 ppm2      2.033 CV     1
 ASSI {  653}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 15   and name HG1 ))
      2.200     0.600     0.600 peak   653 weight  0.11000E+01 volume  0.10299E-01 ppm1      2.652 ppm2      2.447 CV     1
 ASSI {  660}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
      1.400     0.200     0.800 peak   660 weight  0.11000E+01 volume  0.45022E-01 ppm1      2.850 ppm2      3.033 CV     1
 ASSI {  664}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HD2 ))
      3.800     1.800     1.800 peak   664 weight  0.11000E+01 volume  0.16789E-02 ppm1      2.198 ppm2      3.248 CV     1
 OR {  664}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HD2 ))
 OR {  664}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HD1 ))
 OR {  664}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HD1 ))
 ASSI {  666}
   (( segid "    " and resid 15   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   666 weight  0.11000E+01 volume  0.19237E-01 ppm1      2.453 ppm2      3.727 CV     1
 OR {  666}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HD1 ))
 ASSI {  667}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HD1 ))
      2.500     0.800     0.800 peak   667 weight  0.11000E+01 volume  0.54221E-02 ppm1      2.250 ppm2      3.739 CV     1
 ASSI {  671}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HD2 ))
      3.900     1.900     1.900 peak   671 weight  0.11000E+01 volume  0.31508E-02 ppm1      2.486 ppm2      3.988 CV     1
 ASSI {  673}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 19   and name HA1 ))
      4.500     2.600     1.500 peak   673 weight  0.11000E+01 volume  0.57387E-03 ppm1      2.740 ppm2      4.080 CV     1
 ASSI {  674}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      4.200     2.200     1.800 peak   674 weight  0.11000E+01 volume  0.72577E-03 ppm1      2.737 ppm2      4.270 CV     1
 ASSI {  676}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 19   and name HA1 ))
      4.900     3.000     1.100 peak   676 weight  0.11000E+01 volume  0.71751E-03 ppm1      2.259 ppm2      4.077 CV     1
 ASSI {  677}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 19   and name HA2 ))
      4.400     2.500     1.600 peak   677 weight  0.11000E+01 volume  0.19966E-02 ppm1      2.751 ppm2      4.522 CV     1
 ASSI {  678}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      5.000     3.100     1.000 peak   678 weight  0.11000E+01 volume  0.11087E-02 ppm1      2.160 ppm2      4.646 CV     1
 ASSI {  679}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   679 weight  0.11000E+01 volume  0.65580E-02 ppm1      2.193 ppm2      4.752 CV     1
 OR {  679}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  680}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HA  ))
      4.300     2.300     1.700 peak   680 weight  0.11000E+01 volume  0.19886E-02 ppm1      2.256 ppm2      4.645 CV     1
 ASSI {  681}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 19   and name HA2 ))
      5.300     3.500     0.700 peak   681 weight  0.11000E+01 volume  0.14278E-02 ppm1      2.253 ppm2      4.516 CV     1
 ASSI {  682}
   (( segid "    " and resid 15   and name HG1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.200     1.200 peak   682 weight  0.11000E+01 volume  0.34866E-02 ppm1      2.445 ppm2      4.766 CV     1
 ASSI {  683}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.500     1.500 peak   683 weight  0.11000E+01 volume  0.43595E-02 ppm1      2.387 ppm2      4.588 CV     1
 ASSI {  684}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   684 weight  0.11000E+01 volume  0.11563E-01 ppm1      2.483 ppm2      4.643 CV     1
 ASSI {  685}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      5.400     3.600     0.600 peak   685 weight  0.11000E+01 volume  0.99050E-03 ppm1      2.651 ppm2      4.634 CV     1
 ASSI {  686}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.400     2.400     1.600 peak   686 weight  0.11000E+01 volume  0.11820E-02 ppm1      2.750 ppm2      4.732 CV     1
 ASSI {  688}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak   688 weight  0.11000E+01 volume  0.73505E-02 ppm1      2.729 ppm2      5.003 CV     1
 ASSI {  689}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   689 weight  0.11000E+01 volume  0.45483E-02 ppm1      2.652 ppm2      5.021 CV     1
 ASSI {  690}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.600     1.600 peak   690 weight  0.11000E+01 volume  0.95800E-03 ppm1      2.751 ppm2      5.084 CV     1
 ASSI {  691}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.200     1.300     1.300 peak   691 weight  0.11000E+01 volume  0.42899E-02 ppm1      2.852 ppm2      5.089 CV     1
 ASSI {  692}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
      5.900     4.300     0.100 peak   692 weight  0.11000E+01 volume  0.82444E-03 ppm1      2.474 ppm2      5.083 CV     1
 ASSI {  693}
   (( segid "    " and resid 15   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.500     2.600     1.500 peak   693 weight  0.11000E+01 volume  0.17023E-02 ppm1      2.442 ppm2      5.020 CV     1
 ASSI {  694}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   694 weight  0.11000E+01 volume  0.64815E-02 ppm1      2.259 ppm2      4.997 CV     1
 ASSI {  695}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
      4.800     2.900     1.200 peak   695 weight  0.11000E+01 volume  0.14212E-02 ppm1      2.257 ppm2      5.087 CV     1
 ASSI {  696}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     6.000     0.000 peak   696 weight  0.11000E+01 volume  0.60031E-03 ppm1      2.257 ppm2      4.902 CV     1
 ASSI {  697}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      5.300     3.500     0.700 peak   697 weight  0.11000E+01 volume  0.15242E-02 ppm1      2.254 ppm2      4.733 CV     1
 ASSI {  698}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      5.300     3.500     0.700 peak   698 weight  0.11000E+01 volume  0.11633E-02 ppm1      2.716 ppm2      5.323 CV     1
 ASSI {  703}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 6    and name HA  ))
      5.300     3.600     0.700 peak   703 weight  0.11000E+01 volume  0.56953E-03 ppm1      1.422 ppm2      5.636 CV     1
 OR {  703}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  705}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      3.500     1.600     1.600 peak   705 weight  0.11000E+01 volume  0.48492E-02 ppm1      1.639 ppm2      5.088 CV     1
 OR {  705}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  706}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.600     0.600 peak   706 weight  0.11000E+01 volume  0.11737E-01 ppm1      1.668 ppm2      5.010 CV     1
 ASSI {  707}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   707 weight  0.11000E+01 volume  0.49570E-02 ppm1      1.736 ppm2      5.018 CV     1
 ASSI {  708}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.300     2.300     1.700 peak   708 weight  0.11000E+01 volume  0.12533E-02 ppm1      1.414 ppm2      5.020 CV     1
 OR {  708}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  709}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 25   and name HA  ))
      4.600     2.600     1.400 peak   709 weight  0.11000E+01 volume  0.12831E-02 ppm1      1.391 ppm2      5.089 CV     1
 ASSI {  710}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      5.000     3.200     1.000 peak   710 weight  0.11000E+01 volume  0.13236E-02 ppm1      1.340 ppm2      5.022 CV     1
 OR {  710}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  711}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.300     1.300 peak   711 weight  0.11000E+01 volume  0.32402E-02 ppm1      1.422 ppm2      4.834 CV     1
 OR {  711}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  712}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak   712 weight  0.11000E+01 volume  0.11155E-01 ppm1      1.642 ppm2      4.835 CV     1
 ASSI {  713}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   713 weight  0.11000E+01 volume  0.14283E-01 ppm1      1.733 ppm2      4.836 CV     1
 ASSI {  714}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak   714 weight  0.11000E+01 volume  0.17081E-01 ppm1      1.712 ppm2      4.728 CV     1
 OR {  714}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  715}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.600     0.600 peak   715 weight  0.11000E+01 volume  0.17089E-01 ppm1      1.637 ppm2      4.737 CV     1
 OR {  715}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  716}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.100     1.100 peak   716 weight  0.11000E+01 volume  0.82517E-02 ppm1      1.556 ppm2      4.729 CV     1
 OR {  716}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  717}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   717 weight  0.11000E+01 volume  0.86685E-02 ppm1      1.390 ppm2      4.729 CV     1
 ASSI {  718}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   718 weight  0.11000E+01 volume  0.19594E-02 ppm1      1.865 ppm2      4.761 CV     1
 ASSI {  719}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
      4.000     2.000     2.000 peak   719 weight  0.11000E+01 volume  0.20138E-02 ppm1      2.036 ppm2      4.764 CV     1
 ASSI {  720}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.800     0.800 peak   720 weight  0.11000E+01 volume  0.60978E-02 ppm1      2.033 ppm2      4.644 CV     1
 ASSI {  722}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      5.500     3.700     0.500 peak   722 weight  0.11000E+01 volume  0.81313E-03 ppm1      1.693 ppm2      4.640 CV     1
 ASSI {  723}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      4.600     2.600     1.400 peak   723 weight  0.11000E+01 volume  0.23856E-02 ppm1      1.590 ppm2      4.643 CV     1
 ASSI {  724}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak   724 weight  0.11000E+01 volume  0.16294E-01 ppm1      1.339 ppm2      4.386 CV     1
 OR {  724}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  726}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 17   and name HA  ))
      5.100     3.300     0.900 peak   726 weight  0.11000E+01 volume  0.67850E-03 ppm1      1.389 ppm2      4.292 CV     1
 ASSI {  727}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
      3.100     1.200     1.200 peak   727 weight  0.11000E+01 volume  0.46316E-02 ppm1      1.540 ppm2      4.364 CV     1
 OR {  727}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
 OR {  727}
   (( segid "    " and resid 2    and name HG  ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  729}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      4.000     2.000     2.000 peak   729 weight  0.11000E+01 volume  0.26738E-02 ppm1      1.636 ppm2      4.281 CV     1
 ASSI {  730}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.200     3.200     2.800 peak   730 weight  0.11000E+01 volume  0.94250E-03 ppm1      1.744 ppm2      4.383 CV     1
 ASSI {  731}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.900     0.900 peak   731 weight  0.11000E+01 volume  0.95342E-02 ppm1      1.898 ppm2      4.387 CV     1
 OR {  731}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  732}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.200     3.200     2.800 peak   732 weight  0.11000E+01 volume  0.90701E-03 ppm1      1.829 ppm2      4.387 CV     1
 ASSI {  735}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.600     1.600     1.600 peak   735 weight  0.11000E+01 volume  0.25035E-02 ppm1      1.578 ppm2      4.177 CV     1
 OR {  735}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  738}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HA  ))
      3.300     1.400     1.400 peak   738 weight  0.11000E+01 volume  0.91540E-02 ppm1      1.540 ppm2      4.013 CV     1
 OR {  738}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  743}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   743 weight  0.11000E+01 volume  0.14230E-01 ppm1      1.853 ppm2      4.016 CV     1
 OR {  743}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
 OR {  743}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  744}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      4.700     2.700     1.300 peak   744 weight  0.11000E+01 volume  0.15830E-02 ppm1      1.866 ppm2      3.731 CV     1
 ASSI {  745}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   745 weight  0.11000E+01 volume  0.92808E-02 ppm1      1.593 ppm2      3.730 CV     1
 OR {  745}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  746}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 1    and name HA2 ))
      3.400     1.400     1.400 peak   746 weight  0.11000E+01 volume  0.68466E-03 ppm1      1.572 ppm2      3.835 CV     1
 OR {  746}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 1    and name HA1 ))
 OR {  746}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 1    and name HA2 ))
 ASSI {  747}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
      5.500     3.800     0.500 peak   747 weight  0.11000E+01 volume  0.82518E-03 ppm1      1.343 ppm2      3.726 CV     1
 OR {  747}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  748}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 7    and name HD1 ))
      3.400     1.500     1.500 peak   748 weight  0.11000E+01 volume  0.45653E-02 ppm1      1.339 ppm2      3.230 CV     1
 OR {  748}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 7    and name HD2 ))
 OR {  748}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 7    and name HD1 ))
 OR {  748}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 7    and name HD2 ))
 ASSI {  749}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HD1 ))
      2.500     0.800     0.800 peak   749 weight  0.11000E+01 volume  0.10456E-01 ppm1      1.418 ppm2      3.228 CV     1
 OR {  749}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HD1 ))
 OR {  749}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HD2 ))
 OR {  749}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HD2 ))
 ASSI {  750}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HD2 ))
      2.100     0.600     0.600 peak   750 weight  0.11000E+01 volume  0.32091E-01 ppm1      1.570 ppm2      3.173 CV     1
 OR {  750}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 31   and name HD2 ))
 OR {  750}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 32   and name HD1 ))
 OR {  750}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HD1 ))
 OR {  750}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HD1 ))
 OR {  750}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 32   and name HD2 ))
 OR {  750}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 31   and name HD1 ))
 ASSI {  751}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HD1 ))
      2.300     0.700     0.700 peak   751 weight  0.11000E+01 volume  0.22808E-01 ppm1      1.623 ppm2      3.218 CV     1
 OR {  751}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HD2 ))
 ASSI {  752}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD1 ))
      2.200     0.600     0.600 peak   752 weight  0.11000E+01 volume  0.39084E-01 ppm1      1.736 ppm2      3.221 CV     1
 OR {  752}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD2 ))
 OR {  752}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HD2 ))
 OR {  752}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HD1 ))
 OR {  752}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD1 ))
 OR {  752}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD1 ))
 OR {  752}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  754}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HD2 ))
      3.100     1.200     1.200 peak   754 weight  0.11000E+01 volume  0.59668E-02 ppm1      1.805 ppm2      3.167 CV     1
 OR {  754}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HD1 ))
 ASSI {  755}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 29   and name HB2 ))
      2.900     1.000     1.000 peak   755 weight  0.11000E+01 volume  0.44058E-02 ppm1      1.668 ppm2      3.097 CV     1
 ASSI {  756}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 30   and name HD2 ))
      5.100     3.300     0.900 peak   756 weight  0.11000E+01 volume  0.11901E-02 ppm1      1.668 ppm2      3.989 CV     1
 ASSI {  757}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.100     1.200     1.200 peak   757 weight  0.11000E+01 volume  0.58601E-02 ppm1      1.415 ppm2      2.935 CV     1
 OR {  757}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  757}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  758}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HE1 ))
      3.300     1.300     1.300 peak   758 weight  0.11000E+01 volume  0.38620E-02 ppm1      1.336 ppm2      2.849 CV     1
 OR {  758}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HE2 ))
 OR {  758}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HE1 ))
 OR {  758}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HE2 ))
 ASSI {  759}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 8    and name HE2 ))
      3.000     1.100     1.100 peak   759 weight  0.11000E+01 volume  0.78209E-02 ppm1      1.504 ppm2      2.839 CV     1
 OR {  759}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 8    and name HE1 ))
 OR {  759}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 8    and name HE2 ))
 OR {  759}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 8    and name HE1 ))
 ASSI {  760}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HE2 ))
      2.700     0.900     0.900 peak   760 weight  0.11000E+01 volume  0.10221E-01 ppm1      1.540 ppm2      2.860 CV     1
 OR {  760}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HE2 ))
 OR {  760}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HE1 ))
 OR {  760}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HE1 ))
 OR {  760}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HE1 ))
 OR {  760}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HE1 ))
 ASSI {  762}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.800     1.000     1.000 peak   762 weight  0.11000E+01 volume  0.48623E-02 ppm1      1.731 ppm2      2.935 CV     1
 ASSI {  765}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      1.600     0.300     0.600 peak   765 weight  0.11000E+01 volume  0.35344E-01 ppm1      2.026 ppm2      2.483 CV     1
 OR {  765}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HG1 ))
 ASSI {  767}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 29   and name HB1 ))
      3.600     1.600     1.600 peak   767 weight  0.11000E+01 volume  0.54732E-02 ppm1      1.690 ppm2      2.487 CV     1
 ASSI {  769}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.100     2.100     1.900 peak   769 weight  0.11000E+01 volume  0.17250E-02 ppm1      1.730 ppm2      2.394 CV     1
 ASSI {  772}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HB1 ))
      2.100     0.600     0.600 peak   772 weight  0.11000E+01 volume  0.40115E-01 ppm1      1.624 ppm2      2.199 CV     1
 OR {  772}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  773}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak   773 weight  0.11000E+01 volume  0.48861E-02 ppm1      1.587 ppm2      2.047 CV     1
 ASSI {  776}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HB1 ))
      1.900     0.400     0.400 peak   776 weight  0.11000E+01 volume  0.42460E-01 ppm1      2.051 ppm2      1.855 CV     1
 ASSI {  778}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HB2 ))
      2.200     0.600     0.600 peak   778 weight  0.11000E+01 volume  0.34876E-01 ppm1      1.580 ppm2      1.820 CV     1
 OR {  778}
   (( segid "    " and resid 32   and name HG1 ))
   (( segid "    " and resid 32   and name HB2 ))
 OR {  778}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  778}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR {  778}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  779}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB2 ))
      1.800     0.400     0.400 peak   779 weight  0.11000E+01 volume  0.69410E-01 ppm1      1.341 ppm2      1.899 CV     1
 OR {  779}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  779}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  779}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  781}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HB1 ))
      1.900     0.400     0.400 peak   781 weight  0.11000E+01 volume  0.68144E-01 ppm1      1.400 ppm2      1.642 CV     1
 OR {  781}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB1 ))
 OR {  781}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HB1 ))
 OR {  781}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  782}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.000     0.500     0.500 peak   782 weight  0.11000E+01 volume  0.41964E-01 ppm1      1.342 ppm2      1.542 CV     1
 OR {  782}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HD2 ))
 OR {  782}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD1 ))
 OR {  782}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {  783}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HG  ))
      1.900     0.500     0.500 peak   783 weight  0.11000E+01 volume  0.64807E-01 ppm1      1.633 ppm2      1.393 CV     1
 OR {  783}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HG  ))
 ASSI {  784}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG1 ))
      2.000     0.500     0.500 peak   784 weight  0.11000E+01 volume  0.37465E-01 ppm1      1.735 ppm2      1.417 CV     1
 OR {  784}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  786}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG1 ))
      2.400     0.700     0.700 peak   786 weight  0.11000E+01 volume  0.13218E-01 ppm1      1.880 ppm2      1.525 CV     1
 OR {  786}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HG1 ))
 OR {  786}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  786}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  787}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 17   and name HG1%)
      2.300     2.300     3.700 peak   787 weight  0.11000E+01 volume  0.71393E-02 ppm1      1.647 ppm2      1.214 CV     1
 ASSI {  788}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HD1 ))
      2.200     0.600     0.600 peak   788 weight  0.11000E+01 volume  0.29841E-01 ppm1      1.560 ppm2      1.255 CV     1
 OR {  788}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HD2 ))
 OR {  788}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD1 ))
 OR {  788}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD2 ))
 ASSI {  790}
   (( segid "    " and resid 23   and name HG12))
   (( segid "    " and resid 23   and name HG11))
      1.600     0.300     0.600 peak   790 weight  0.11000E+01 volume  0.33656E-01 ppm1      1.480 ppm2      1.185 CV     1
 ASSI {  791}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HG11))
      2.700     0.900     0.900 peak   791 weight  0.11000E+01 volume  0.44358E-02 ppm1      1.873 ppm2      1.199 CV     1
 ASSI {  792}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HD1%)
      2.600     2.600     3.400 peak   792 weight  0.11000E+01 volume  0.18917E-01 ppm1      1.869 ppm2      0.916 CV     1
 ASSI {  793}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG2%)
      2.600     0.800     0.800 peak   793 weight  0.11000E+01 volume  0.83251E-02 ppm1      1.874 ppm2      0.860 CV     1
 ASSI {  794}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HG2 ))
      2.100     0.600     0.600 peak   794 weight  0.11000E+01 volume  0.27157E-01 ppm1      1.542 ppm2      0.990 CV     1
 OR {  794}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HG1 ))
 OR {  794}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG2 ))
 OR {  794}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG1 ))
 ASSI {  795}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 2    and name HD1%)
      2.600     0.800     0.800 peak   795 weight  0.11000E+01 volume  0.14704E-01 ppm1      1.550 ppm2      0.898 CV     1
 OR {  795}
   (( segid "    " and resid 2    and name HG  ))
   (  segid "    " and resid 2    and name HD2%)
 OR {  795}
   (( segid "    " and resid 2    and name HB2 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  795}
   (( segid "    " and resid 2    and name HB1 ))
   (  segid "    " and resid 2    and name HD1%)
 OR {  795}
   (( segid "    " and resid 2    and name HB1 ))
   (  segid "    " and resid 2    and name HD2%)
 ASSI {  796}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 3    and name HD1%)
      2.300     0.700     0.700 peak   796 weight  0.11000E+01 volume  0.30021E-01 ppm1      1.479 ppm2      0.872 CV     1
 OR {  796}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  796}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
 OR {  796}
   (( segid "    " and resid 3    and name HB1 ))
   (  segid "    " and resid 3    and name HD2%)
 OR {  796}
   (( segid "    " and resid 3    and name HB1 ))
   (  segid "    " and resid 3    and name HD1%)
 ASSI {  797}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
      2.300     0.700     0.700 peak   797 weight  0.11000E+01 volume  0.25241E-01 ppm1      1.652 ppm2      0.831 CV     1
 OR {  797}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD1%)
 OR {  797}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
 OR {  797}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI {  798}
   (( segid "    " and resid 26   and name HG  ))
   (  segid "    " and resid 26   and name HD2%)
      2.300     0.600     0.600 peak   798 weight  0.11000E+01 volume  0.20528E-01 ppm1      1.388 ppm2      0.850 CV     1
 ASSI {  799}
   (( segid "    " and resid 23   and name HG11))
   (  segid "    " and resid 23   and name HG2%)
      2.700     2.700     3.300 peak   799 weight  0.11000E+01 volume  0.21110E-01 ppm1      1.194 ppm2      0.858 CV     1
 ASSI {  800}
   (( segid "    " and resid 8    and name HD1 ))
   (( segid "    " and resid 8    and name HG2 ))
      2.500     0.800     0.800 peak   800 weight  0.11000E+01 volume  0.97620E-02 ppm1      1.243 ppm2      0.988 CV     1
 OR {  800}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HG2 ))
 OR {  800}
   (( segid "    " and resid 8    and name HD1 ))
   (( segid "    " and resid 8    and name HG1 ))
 OR {  800}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HG1 ))
 ASSI {  803}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 24   and name HG1 ))
      2.200     0.600     0.600 peak   803 weight  0.11000E+01 volume  0.19300E-01 ppm1      0.974 ppm2      1.493 CV     1
 OR {  803}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 24   and name HG1 ))
 OR {  803}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  804}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HB1 ))
      2.200     0.600     0.600 peak   804 weight  0.11000E+01 volume  0.21935E-01 ppm1      0.982 ppm2      1.549 CV     1
 OR {  804}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  804}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  804}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  805}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak   805 weight  0.11000E+01 volume  0.16812E-01 ppm1      0.805 ppm2      1.635 CV     1
 OR {  805}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  809}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HE2 ))
      3.200     1.200     1.200 peak   809 weight  0.11000E+01 volume  0.49131E-02 ppm1      0.979 ppm2      2.840 CV     1
 OR {  809}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HE1 ))
 OR {  809}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 8    and name HE2 ))
 OR {  809}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 8    and name HE1 ))
 ASSI {  810}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 9    and name HA1 ))
      2.700     2.700     3.300 peak   810 weight  0.11000E+01 volume  0.24711E-02 ppm1      0.812 ppm2      3.384 CV     1
 OR {  810}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  811}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 9    and name HA1 ))
      4.200     2.200     1.800 peak   811 weight  0.11000E+01 volume  0.11481E-02 ppm1      0.975 ppm2      3.386 CV     1
 OR {  811}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 9    and name HA1 ))
 ASSI {  813}
   (( segid "    " and resid 8    and name HD1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.900     1.900     1.900 peak   813 weight  0.11000E+01 volume  0.56422E-02 ppm1      1.259 ppm2      3.758 CV     1
 OR {  813}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  814}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 19   and name HA1 ))
      4.700     2.800     1.300 peak   814 weight  0.11000E+01 volume  0.28635E-02 ppm1      1.237 ppm2      4.073 CV     1
 ASSI {  816}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 19   and name HA1 ))
      5.300     5.300     0.700 peak   816 weight  0.11000E+01 volume  0.15029E-02 ppm1      1.142 ppm2      4.076 CV     1
 ASSI {  818}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      3.200     1.300     1.300 peak   818 weight  0.11000E+01 volume  0.40650E-02 ppm1      0.861 ppm2      4.059 CV     1
 ASSI {  820}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.300     1.300 peak   820 weight  0.11000E+01 volume  0.87698E-02 ppm1      0.844 ppm2      4.275 CV     1
 OR {  820}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  821}
   (  segid "    " and resid 2    and name HD2%)
   (( segid "    " and resid 2    and name HA  ))
      3.500     1.500     1.500 peak   821 weight  0.11000E+01 volume  0.47129E-02 ppm1      0.886 ppm2      4.362 CV     1
 OR {  821}
   (  segid "    " and resid 2    and name HD1%)
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  823}
   (  segid "    " and resid 17   and name HG1%)
   (( segid "    " and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   823 weight  0.11000E+01 volume  0.92635E-02 ppm1      1.205 ppm2      4.288 CV     1
 ASSI {  824}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HB  ))
      2.600     0.800     0.800 peak   824 weight  0.11000E+01 volume  0.13194E-01 ppm1      1.234 ppm2      4.465 CV     1
 ASSI {  825}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.700     2.700     3.300 peak   825 weight  0.11000E+01 volume  0.92520E-02 ppm1      0.813 ppm2      4.632 CV     1
 ASSI {  826}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.700     1.700     1.700 peak   826 weight  0.11000E+01 volume  0.67798E-02 ppm1      0.859 ppm2      4.728 CV     1
 ASSI {  827}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      3.900     1.900     1.900 peak   827 weight  0.11000E+01 volume  0.22773E-02 ppm1      1.143 ppm2      4.735 CV     1
 ASSI {  828}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      3.800     3.800     2.200 peak   828 weight  0.11000E+01 volume  0.44522E-02 ppm1      1.221 ppm2      4.729 CV     1
 ASSI {  829}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak   829 weight  0.11000E+01 volume  0.89374E-02 ppm1      1.237 ppm2      5.086 CV     1
 ASSI {  830}
   (  segid "    " and resid 17   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      4.600     4.600     1.400 peak   830 weight  0.11000E+01 volume  0.87136E-03 ppm1      1.143 ppm2      5.085 CV     1
 ASSI {  831}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      3.700     1.700     1.700 peak   831 weight  0.11000E+01 volume  0.23624E-02 ppm1      0.859 ppm2      5.084 CV     1
 ASSI {  832}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.500     4.500     1.500 peak   832 weight  0.11000E+01 volume  0.10986E-02 ppm1      0.810 ppm2      5.025 CV     1
 ASSI {  833}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      3.900     1.900     1.900 peak   833 weight  0.11000E+01 volume  0.20397E-02 ppm1      4.275 ppm2      2.150 CV     1
 ASSI {  835}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.500     1.600     1.600 peak   835 weight  0.11000E+01 volume  0.19575E-02 ppm1      0.858 ppm2      4.630 CV     1
 ASSI {  836}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      5.500     3.800     0.500 peak   836 weight  0.11000E+01 volume  0.10690E-02 ppm1      0.813 ppm2      4.721 CV     1
 ASSI {  837}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      5.100     3.200     0.900 peak   837 weight  0.11000E+01 volume  0.41520E-03 ppm1      8.486 ppm2      0.856 CV     1
 ASSI {  838}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      5.400     3.700     0.600 peak   838 weight  0.11000E+01 volume  0.46594E-03 ppm1      8.075 ppm2      0.984 CV     1
 OR {  838}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
 ASSI {  841}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 10   and name HB1 ))
      6.000     6.000     0.000 peak   841 weight  0.11000E+01 volume  0.13876E-03 ppm1      8.585 ppm2      3.376 CV     1
 ASSI {  842}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 10   and name HA  ))
      4.100     2.100     1.900 peak   842 weight  0.11000E+01 volume  0.20576E-03 ppm1      8.586 ppm2      4.642 CV     1
 ASSI {  843}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 10   and name HD2 ))
      6.000     5.600     0.000 peak   843 weight  0.11000E+01 volume  0.26276E-03 ppm1      8.588 ppm2      7.288 CV     1
 ASSI {  847}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 23   and name HD1%)
      3.900     3.900     2.100 peak   847 weight  0.11000E+01 volume  0.29217E-03 ppm1      7.804 ppm2      0.920 CV     1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -10.972  11.346  -3.694
    2   2H    GLY   1          2H        GLY   1 -11.014   9.693  -4.050
    3   3H    GLY   1          3H        GLY   1  -9.556  10.544  -4.159
    4   1HA   GLY   1          1HA       GLY   1  -9.545  10.927  -1.784
    5   2HA   GLY   1          2HA       GLY   1 -11.084  10.090  -1.654
    6    H    LEU   2           H        LEU   2 -10.778   7.886  -3.169
    7    HA   LEU   2           HA       LEU   2  -8.986   6.304  -1.561
    8   1HB   LEU   2          1HB       LEU   2 -10.754   5.521  -3.881
    9   2HB   LEU   2          2HB       LEU   2  -9.910   4.402  -2.829
   10    HG   LEU   2           HG       LEU   2 -12.044   6.325  -1.899
   11   1HD1  LEU   2          1HD1      LEU   2 -12.964   4.656  -3.431
   12   2HD1  LEU   2          2HD1      LEU   2 -13.507   4.379  -1.776
   13   3HD1  LEU   2          3HD1      LEU   2 -12.238   3.370  -2.469
   14   1HD2  LEU   2          1HD2      LEU   2 -12.028   4.976   0.135
   15   2HD2  LEU   2          2HD2      LEU   2 -10.441   5.685  -0.165
   16   3HD2  LEU   2          3HD2      LEU   2 -10.727   3.982  -0.524
   17    H    LEU   3           H        LEU   3  -6.981   7.273  -2.246
   18    HA   LEU   3           HA       LEU   3  -6.136   6.616  -4.977
   19   1HB   LEU   3          1HB       LEU   3  -4.790   8.334  -2.889
   20   2HB   LEU   3          2HB       LEU   3  -4.229   8.100  -4.534
   21    HG   LEU   3           HG       LEU   3  -6.852   9.399  -3.785
   22   1HD1  LEU   3          1HD1      LEU   3  -4.961  10.759  -3.071
   23   2HD1  LEU   3          2HD1      LEU   3  -5.780  11.493  -4.450
   24   3HD1  LEU   3          3HD1      LEU   3  -4.255  10.640  -4.682
   25   1HD2  LEU   3          1HD2      LEU   3  -6.891  10.090  -6.136
   26   2HD2  LEU   3          2HD2      LEU   3  -6.903   8.334  -5.973
   27   3HD2  LEU   3          3HD2      LEU   3  -5.418   9.166  -6.429
   28    H    CYS   4           H        CYS   4  -6.382   4.369  -3.561
   29    HA   CYS   4           HA       CYS   4  -3.754   3.704  -2.454
   30   1HB   CYS   4          1HB       CYS   4  -6.128   1.862  -2.519
   31   2HB   CYS   4          2HB       CYS   4  -4.770   1.868  -1.400
   32    H    TYR   5           H        TYR   5  -2.676   1.743  -3.127
   33    HA   TYR   5           HA       TYR   5  -3.467   0.613  -5.697
   34   1HB   TYR   5          1HB       TYR   5  -0.755   1.879  -5.238
   35   2HB   TYR   5          2HB       TYR   5  -1.219   0.953  -6.660
   36    HD1  TYR   5           1HD      TYR   5  -1.244   4.182  -5.076
   37    HD2  TYR   5           2HD      TYR   5  -3.039   1.860  -8.157
   38    HE1  TYR   5           1HE      TYR   5  -2.056   6.242  -6.147
   39    HE2  TYR   5           2HE      TYR   5  -3.857   3.913  -9.235
   40    HH   TYR   5           HH       TYR   5  -4.376   6.236  -8.622
   41    H    CYS   6           H        CYS   6  -2.560  -1.427  -6.129
   42    HA   CYS   6           HA       CYS   6  -1.732  -2.880  -3.775
   43   1HB   CYS   6          1HB       CYS   6  -2.179  -3.766  -6.634
   44   2HB   CYS   6          2HB       CYS   6  -1.779  -4.853  -5.310
   45    H    ARG   7           H        ARG   7   0.285  -3.392  -3.221
   46    HA   ARG   7           HA       ARG   7   2.410  -3.064  -5.237
   47   1HB   ARG   7          1HB       ARG   7   2.419  -2.315  -2.315
   48   2HB   ARG   7          2HB       ARG   7   3.886  -2.427  -3.276
   49   1HG   ARG   7          1HG       ARG   7   1.566  -0.618  -3.916
   50   2HG   ARG   7          2HG       ARG   7   3.008  -0.125  -3.027
   51   1HD   ARG   7          1HD       ARG   7   4.406  -0.600  -4.923
   52   2HD   ARG   7          2HD       ARG   7   3.044  -1.291  -5.804
   53    HE   ARG   7           HE       ARG   7   2.902   1.519  -5.005
   54   1HH1  ARG   7          1HH1      ARG   7   3.274  -0.887  -7.489
   55   2HH1  ARG   7          2HH1      ARG   7   2.984   0.221  -8.791
   56   1HH2  ARG   7          1HH2      ARG   7   2.515   2.990  -6.705
   57   2HH2  ARG   7          2HH2      ARG   7   2.552   2.428  -8.344
   58    H    LYS   8           H        LYS   8   4.442  -4.257  -4.642
   59    HA   LYS   8           HA       LYS   8   3.788  -6.835  -3.371
   60   1HB   LYS   8          1HB       LYS   8   3.975  -7.153  -5.764
   61   2HB   LYS   8          2HB       LYS   8   5.513  -6.303  -5.796
   62   1HG   LYS   8          1HG       LYS   8   6.508  -8.089  -4.431
   63   2HG   LYS   8          2HG       LYS   8   4.967  -8.950  -4.463
   64   1HD   LYS   8          1HD       LYS   8   5.101  -9.243  -6.831
   65   2HD   LYS   8          2HD       LYS   8   6.496  -8.168  -6.941
   66   1HE   LYS   8          1HE       LYS   8   6.439 -10.814  -5.491
   67   2HE   LYS   8          2HE       LYS   8   7.121 -10.546  -7.095
   68   1HZ   LYS   8          1HZ       LYS   8   8.707  -9.002  -6.125
   69   2HZ   LYS   8          2HZ       LYS   8   8.833 -10.523  -5.394
   70   3HZ   LYS   8          3HZ       LYS   8   8.053  -9.258  -4.585
   71    H    GLY   9           H        GLY   9   4.914  -7.164  -1.580
   72   1HA   GLY   9          1HA       GLY   9   6.808  -7.410  -0.251
   73   2HA   GLY   9          2HA       GLY   9   7.755  -6.615  -1.500
   74    H    HIS  10           H        HIS  10   7.040  -4.197  -1.788
   75    HA   HIS  10           HA       HIS  10   6.265  -2.906   0.679
   76   1HB   HIS  10          1HB       HIS  10   8.354  -1.529   0.773
   77   2HB   HIS  10          2HB       HIS  10   8.598  -3.229   1.162
   78    HD1  HIS  10           1HD      HIS  10   8.246  -2.610  -2.425
   79    HD2  HIS  10           2HD      HIS  10  11.332  -2.689   0.355
   80    HE1  HIS  10           1HE      HIS  10  10.358  -2.771  -3.772
   81    HE2  HIS  10           2HE      HIS  10  12.209  -2.911  -2.069
   82    H    CYS  11           H        CYS  11   6.524  -0.417   0.380
   83    HA   CYS  11           HA       CYS  11   5.913   0.300  -2.409
   84   1HB   CYS  11          1HB       CYS  11   3.833   0.123  -1.049
   85   2HB   CYS  11          2HB       CYS  11   4.470   1.357   0.031
   86    H    LYS  12           H        LYS  12   6.057   2.702  -2.767
   87    HA   LYS  12           HA       LYS  12   8.581   3.632  -1.776
   88   1HB   LYS  12          1HB       LYS  12   8.189   5.581  -3.235
   89   2HB   LYS  12          2HB       LYS  12   7.966   4.060  -4.087
   90   1HG   LYS  12          1HG       LYS  12   5.582   4.283  -3.986
   91   2HG   LYS  12          2HG       LYS  12   5.718   5.705  -2.950
   92   1HD   LYS  12          1HD       LYS  12   5.257   6.463  -5.168
   93   2HD   LYS  12          2HD       LYS  12   6.944   6.842  -4.812
   94   1HE   LYS  12          1HE       LYS  12   6.758   5.955  -7.054
   95   2HE   LYS  12          2HE       LYS  12   7.630   4.814  -6.032
   96   1HZ   LYS  12          1HZ       LYS  12   6.010   3.699  -7.435
   97   2HZ   LYS  12          2HZ       LYS  12   4.759   4.621  -6.770
   98   3HZ   LYS  12          3HZ       LYS  12   5.605   3.521  -5.802
   99    H    ARG  13           H        ARG  13   5.222   4.315  -1.134
  100    HA   ARG  13           HA       ARG  13   5.793   5.512   1.355
  101   1HB   ARG  13          1HB       ARG  13   5.090   7.802   0.910
  102   2HB   ARG  13          2HB       ARG  13   6.501   7.394  -0.050
  103   1HG   ARG  13          1HG       ARG  13   4.943   6.935  -1.963
  104   2HG   ARG  13          2HG       ARG  13   3.654   7.626  -0.979
  105   1HD   ARG  13          1HD       ARG  13   6.179   9.012  -1.869
  106   2HD   ARG  13          2HD       ARG  13   4.551   9.306  -2.477
  107    HE   ARG  13           HE       ARG  13   4.313   9.777   0.173
  108   1HH1  ARG  13          1HH1      ARG  13   6.506  10.939  -2.272
  109   2HH1  ARG  13          2HH1      ARG  13   6.755  12.471  -1.503
  110   1HH2  ARG  13          1HH2      ARG  13   4.635  11.787   1.193
  111   2HH2  ARG  13          2HH2      ARG  13   5.693  12.951   0.469
  112    H    GLY  14           H        GLY  14   4.114   4.998   2.585
  113   1HA   GLY  14          1HA       GLY  14   1.760   5.266   3.090
  114   2HA   GLY  14          2HA       GLY  14   1.422   5.044   1.380
  115    H    GLU  15           H        GLU  15   3.758   3.011   2.937
  116    HA   GLU  15           HA       GLU  15   2.520   0.625   2.174
  117   1HB   GLU  15          1HB       GLU  15   4.595   1.197   4.292
  118   2HB   GLU  15          2HB       GLU  15   4.091  -0.430   3.855
  119   1HG   GLU  15          1HG       GLU  15   4.957  -0.228   1.683
  120   2HG   GLU  15          2HG       GLU  15   5.180   1.514   1.844
  121    H    ARG  16           H        ARG  16   0.663  -0.196   2.883
  122    HA   ARG  16           HA       ARG  16   0.112  -0.185   5.758
  123   1HB   ARG  16          1HB       ARG  16  -1.870   0.681   3.646
  124   2HB   ARG  16          2HB       ARG  16  -2.253   0.419   5.342
  125   1HG   ARG  16          1HG       ARG  16  -0.776   2.231   5.984
  126   2HG   ARG  16          2HG       ARG  16  -0.305   2.467   4.300
  127   1HD   ARG  16          1HD       ARG  16  -1.971   4.111   4.973
  128   2HD   ARG  16          2HD       ARG  16  -2.615   3.035   3.733
  129    HE   ARG  16           HE       ARG  16  -3.217   2.224   6.431
  130   1HH1  ARG  16          1HH1      ARG  16  -4.234   4.136   3.700
  131   2HH1  ARG  16          2HH1      ARG  16  -5.898   4.164   4.177
  132   1HH2  ARG  16          1HH2      ARG  16  -5.405   2.255   7.065
  133   2HH2  ARG  16          2HH2      ARG  16  -6.565   3.094   6.090
  134    H    VAL  17           H        VAL  17  -1.809  -1.636   6.265
  135    HA   VAL  17           HA       VAL  17  -2.014  -3.866   4.367
  136    HB   VAL  17           HB       VAL  17  -1.747  -4.398   7.313
  137   1HG1  VAL  17          1HG1      VAL  17  -2.691  -6.159   5.909
  138   2HG1  VAL  17          2HG1      VAL  17  -1.118  -6.630   6.551
  139   3HG1  VAL  17          3HG1      VAL  17  -1.264  -6.105   4.874
  140   1HG2  VAL  17          1HG2      VAL  17   0.626  -4.925   6.949
  141   2HG2  VAL  17          2HG2      VAL  17   0.280  -3.217   6.685
  142   3HG2  VAL  17          3HG2      VAL  17   0.504  -4.294   5.306
  143    H    ARG  18           H        ARG  18  -3.932  -1.935   4.617
  144    HA   ARG  18           HA       ARG  18  -5.946  -2.583   6.524
  145   1HB   ARG  18          1HB       ARG  18  -5.757  -0.373   5.375
  146   2HB   ARG  18          2HB       ARG  18  -6.268  -1.146   3.880
  147   1HG   ARG  18          1HG       ARG  18  -8.380  -1.808   5.044
  148   2HG   ARG  18          2HG       ARG  18  -7.867  -0.809   6.405
  149   1HD   ARG  18          1HD       ARG  18  -9.354   0.483   5.047
  150   2HD   ARG  18          2HD       ARG  18  -7.725   1.126   4.845
  151    HE   ARG  18           HE       ARG  18  -7.962  -0.628   2.796
  152   1HH1  ARG  18          1HH1      ARG  18  -9.921   2.029   3.916
  153   2HH1  ARG  18          2HH1      ARG  18 -10.518   2.421   2.338
  154   1HH2  ARG  18          1HH2      ARG  18  -8.746  -0.121   0.717
  155   2HH2  ARG  18          2HH2      ARG  18  -9.852   1.197   0.519
  156    H    GLY  19           H        GLY  19  -5.778  -3.078   3.006
  157   1HA   GLY  19          1HA       GLY  19  -7.390  -5.526   3.358
  158   2HA   GLY  19          2HA       GLY  19  -7.734  -4.381   2.068
  159    H    THR  20           H        THR  20  -5.524  -6.808   3.244
  160    HA   THR  20           HA       THR  20  -3.404  -6.705   1.557
  161    HB   THR  20           HB       THR  20  -3.201  -9.131   1.726
  162    HG1  THR  20           1HG      THR  20  -5.291  -9.787   3.202
  163   1HG2  THR  20          1HG2      THR  20  -2.613  -7.767   3.679
  164   2HG2  THR  20          2HG2      THR  20  -3.245  -9.341   4.161
  165   3HG2  THR  20          3HG2      THR  20  -4.267  -7.910   4.275
  166    H    CYS  21           H        CYS  21  -3.140  -6.637  -0.552
  167    HA   CYS  21           HA       CYS  21  -5.326  -7.265  -2.339
  168   1HB   CYS  21          1HB       CYS  21  -3.769  -5.258  -2.557
  169   2HB   CYS  21          2HB       CYS  21  -2.542  -6.392  -3.111
  170    H    GLY  22           H        GLY  22  -3.504  -9.275  -0.799
  171   1HA   GLY  22          1HA       GLY  22  -3.796 -11.498  -2.317
  172   2HA   GLY  22          2HA       GLY  22  -2.301 -10.806  -2.931
  173    H    ILE  23           H        ILE  23  -1.236 -12.731  -2.196
  174    HA   ILE  23           HA       ILE  23  -1.084 -13.146   0.685
  175    HB   ILE  23           HB       ILE  23   0.299 -14.666  -1.531
  176   1HG1  ILE  23          1HG1      ILE  23  -2.195 -15.408   0.014
  177   2HG1  ILE  23          2HG1      ILE  23  -2.202 -14.749  -1.619
  178   1HG2  ILE  23          1HG2      ILE  23  -0.104 -15.329   1.384
  179   2HG2  ILE  23          2HG2      ILE  23   1.419 -14.886   0.616
  180   3HG2  ILE  23          3HG2      ILE  23   0.619 -16.396   0.181
  181   1HD1  ILE  23          1HD1      ILE  23  -0.959 -17.353  -0.765
  182   2HD1  ILE  23          2HD1      ILE  23  -0.948 -16.694  -2.400
  183   3HD1  ILE  23          3HD1      ILE  23  -2.474 -17.155  -1.646
  184    H    ARG  24           H        ARG  24   1.304 -12.848  -1.952
  185    HA   ARG  24           HA       ARG  24   3.304 -11.916  -0.059
  186   1HB   ARG  24          1HB       ARG  24   4.860 -12.074  -1.931
  187   2HB   ARG  24          2HB       ARG  24   3.929 -13.558  -1.781
  188   1HG   ARG  24          1HG       ARG  24   2.411 -12.657  -3.576
  189   2HG   ARG  24          2HG       ARG  24   3.595 -11.369  -3.813
  190   1HD   ARG  24          1HD       ARG  24   4.163 -14.323  -4.035
  191   2HD   ARG  24          2HD       ARG  24   3.888 -13.237  -5.396
  192    HE   ARG  24           HE       ARG  24   5.965 -12.188  -3.852
  193   1HH1  ARG  24          1HH1      ARG  24   5.307 -14.951  -5.869
  194   2HH1  ARG  24          2HH1      ARG  24   6.960 -15.159  -6.344
  195   1HH2  ARG  24          1HH2      ARG  24   8.144 -12.455  -4.474
  196   2HH2  ARG  24          2HH2      ARG  24   8.572 -13.744  -5.548
  197    H    PHE  25           H        PHE  25   0.835 -10.385  -1.190
  198    HA   PHE  25           HA       PHE  25   2.311  -7.963  -1.993
  199   1HB   PHE  25          1HB       PHE  25  -0.561  -8.684  -2.617
  200   2HB   PHE  25          2HB       PHE  25   0.283  -7.234  -3.151
  201    HD1  PHE  25           1HD      PHE  25  -0.164 -10.812  -3.653
  202    HD2  PHE  25           2HD      PHE  25   1.978  -7.351  -4.889
  203    HE1  PHE  25           1HE      PHE  25   0.584 -12.002  -5.672
  204    HE2  PHE  25           2HE      PHE  25   2.731  -8.533  -6.911
  205    HZ   PHE  25           HZ       PHE  25   2.033 -10.863  -7.304
  206    H    LEU  26           H        LEU  26   0.867  -5.942  -1.538
  207    HA   LEU  26           HA       LEU  26  -0.589  -6.090   0.971
  208   1HB   LEU  26          1HB       LEU  26   0.769  -4.379   2.059
  209   2HB   LEU  26          2HB       LEU  26   1.710  -5.819   1.725
  210    HG   LEU  26           HG       LEU  26   1.784  -3.463  -0.131
  211   1HD1  LEU  26          1HD1      LEU  26   3.749  -2.653   1.073
  212   2HD1  LEU  26          2HD1      LEU  26   3.499  -3.886   2.311
  213   3HD1  LEU  26          3HD1      LEU  26   2.306  -2.606   2.087
  214   1HD2  LEU  26          1HD2      LEU  26   3.722  -5.687   0.494
  215   2HD2  LEU  26          2HD2      LEU  26   4.010  -4.372  -0.645
  216   3HD2  LEU  26          3HD2      LEU  26   2.728  -5.542  -0.956
  217    H    TYR  27           H        TYR  27  -1.007  -3.536   1.586
  218    HA   TYR  27           HA       TYR  27  -1.976  -2.346  -0.929
  219   1HB   TYR  27          1HB       TYR  27  -3.491  -3.225   1.212
  220   2HB   TYR  27          2HB       TYR  27  -3.389  -1.487   1.469
  221    HD1  TYR  27           1HD      TYR  27  -4.924  -0.110   0.379
  222    HD2  TYR  27           2HD      TYR  27  -4.097  -3.963  -1.224
  223    HE1  TYR  27           1HE      TYR  27  -6.665   0.225  -1.320
  224    HE2  TYR  27           2HE      TYR  27  -5.836  -3.635  -2.927
  225    HH   TYR  27           HH       TYR  27  -7.219  -0.639  -3.591
  226    H    CYS  28           H        CYS  28  -1.168  -0.446  -1.437
  227    HA   CYS  28           HA       CYS  28   0.095   1.161   0.686
  228   1HB   CYS  28          1HB       CYS  28   1.725   0.347  -0.927
  229   2HB   CYS  28          2HB       CYS  28   0.769   0.988  -2.259
  230    H    CYS  29           H        CYS  29  -1.228   2.767   1.249
  231    HA   CYS  29           HA       CYS  29  -2.463   4.349  -0.902
  232   1HB   CYS  29          1HB       CYS  29  -4.025   2.791   0.476
  233   2HB   CYS  29          2HB       CYS  29  -3.821   3.988   1.751
  234    HA   PRO  30           HA       PRO  30   0.133   7.301   1.420
  235   1HB   PRO  30          1HB       PRO  30  -0.169   9.300  -0.441
  236   2HB   PRO  30          2HB       PRO  30   1.066   8.039  -0.529
  237   1HG   PRO  30          1HG       PRO  30  -1.580   8.205  -1.917
  238   2HG   PRO  30          2HG       PRO  30  -0.009   7.680  -2.556
  239   1HD   PRO  30          1HD       PRO  30  -1.899   5.913  -1.845
  240   2HD   PRO  30          2HD       PRO  30  -0.174   5.583  -1.581
  241    H    ARG  31           H        ARG  31  -0.254   9.589   2.111
  242    HA   ARG  31           HA       ARG  31  -3.094   9.934   2.768
  243   1HB   ARG  31          1HB       ARG  31  -1.266   9.758   4.565
  244   2HB   ARG  31          2HB       ARG  31  -0.790  11.375   4.066
  245   1HG   ARG  31          1HG       ARG  31  -3.080  12.161   4.580
  246   2HG   ARG  31          2HG       ARG  31  -3.457  10.547   5.190
  247   1HD   ARG  31          1HD       ARG  31  -1.372  12.447   6.253
  248   2HD   ARG  31          2HD       ARG  31  -2.885  11.990   7.036
  249    HE   ARG  31           HE       ARG  31  -1.562   9.630   6.647
  250   1HH1  ARG  31          1HH1      ARG  31  -0.843  12.638   8.251
  251   2HH1  ARG  31          2HH1      ARG  31   0.196  11.910   9.429
  252   1HH2  ARG  31          1HH2      ARG  31  -0.195   8.663   8.192
  253   2HH2  ARG  31          2HH2      ARG  31   0.568   9.649   9.394
  254    H    ARG  32           H        ARG  32  -1.324  10.853   0.348
  255    HA   ARG  32           HA       ARG  32  -2.749  13.298  -0.082
  256   1HB   ARG  32          1HB       ARG  32  -0.922  14.155   1.303
  257   2HB   ARG  32          2HB       ARG  32   0.257  13.420   0.226
  258   1HG   ARG  32          1HG       ARG  32  -0.447  14.885  -1.579
  259   2HG   ARG  32          2HG       ARG  32  -1.680  15.598  -0.536
  260   1HD   ARG  32          1HD       ARG  32   0.029  16.454   0.952
  261   2HD   ARG  32          2HD       ARG  32   1.289  15.663   0.004
  262    HE   ARG  32           HE       ARG  32   0.092  17.248  -1.816
  263   1HH1  ARG  32          1HH1      ARG  32   1.334  17.862   1.384
  264   2HH1  ARG  32          2HH1      ARG  32   1.754  19.507   1.043
  265   1HH2  ARG  32          1HH2      ARG  32   0.645  19.411  -2.271
  266   2HH2  ARG  32          2HH2      ARG  32   1.361  20.388  -1.033
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1 -12.713  10.600  -2.626
    2   2H    GLY   1          2H        GLY   1 -14.059   9.597  -2.832
    3   3H    GLY   1          3H        GLY   1 -12.844   9.633  -4.008
    4   1HA   GLY   1          1HA       GLY   1 -12.511   8.657  -1.224
    5   2HA   GLY   1          2HA       GLY   1 -12.707   7.630  -2.636
    6    H    LEU   2           H        LEU   2 -10.569   6.991  -1.375
    7    HA   LEU   2           HA       LEU   2  -8.312   8.559  -2.385
    8   1HB   LEU   2          1HB       LEU   2  -8.465   6.316  -0.373
    9   2HB   LEU   2          2HB       LEU   2  -6.956   7.003  -0.936
   10    HG   LEU   2           HG       LEU   2  -7.469   7.952   1.201
   11   1HD1  LEU   2          1HD1      LEU   2  -8.120   9.999  -0.912
   12   2HD1  LEU   2          2HD1      LEU   2  -6.496   9.455  -0.491
   13   3HD1  LEU   2          3HD1      LEU   2  -7.477  10.308   0.700
   14   1HD2  LEU   2          1HD2      LEU   2  -9.514   9.162   1.671
   15   2HD2  LEU   2          2HD2      LEU   2  -9.883   7.506   1.193
   16   3HD2  LEU   2          3HD2      LEU   2 -10.113   8.826   0.047
   17    H    LEU   3           H        LEU   3  -6.727   7.694  -3.700
   18    HA   LEU   3           HA       LEU   3  -7.478   5.200  -5.071
   19   1HB   LEU   3          1HB       LEU   3  -5.836   7.527  -6.075
   20   2HB   LEU   3          2HB       LEU   3  -6.184   6.069  -6.986
   21    HG   LEU   3           HG       LEU   3  -8.256   8.051  -6.037
   22   1HD1  LEU   3          1HD1      LEU   3  -7.087   7.590  -8.777
   23   2HD1  LEU   3          2HD1      LEU   3  -6.843   9.012  -7.761
   24   3HD1  LEU   3          3HD1      LEU   3  -8.445   8.652  -8.406
   25   1HD2  LEU   3          1HD2      LEU   3  -9.138   5.789  -6.206
   26   2HD2  LEU   3          2HD2      LEU   3  -8.483   5.641  -7.837
   27   3HD2  LEU   3          3HD2      LEU   3  -9.770   6.800  -7.505
   28    H    CYS   4           H        CYS   4  -6.387   3.861  -3.565
   29    HA   CYS   4           HA       CYS   4  -3.581   4.212  -3.057
   30   1HB   CYS   4          1HB       CYS   4  -5.252   1.745  -2.549
   31   2HB   CYS   4          2HB       CYS   4  -3.726   2.179  -1.784
   32    H    TYR   5           H        TYR   5  -2.329   1.896  -3.322
   33    HA   TYR   5           HA       TYR   5  -2.746   0.892  -6.033
   34   1HB   TYR   5          1HB       TYR   5  -0.105   2.033  -5.093
   35   2HB   TYR   5          2HB       TYR   5  -0.390   1.236  -6.637
   36    HD1  TYR   5           1HD      TYR   5  -0.602   4.323  -4.787
   37    HD2  TYR   5           2HD      TYR   5  -1.907   2.332  -8.311
   38    HE1  TYR   5           1HE      TYR   5  -1.213   6.490  -5.776
   39    HE2  TYR   5           2HE      TYR   5  -2.520   4.492  -9.312
   40    HH   TYR   5           HH       TYR   5  -3.127   6.774  -8.541
   41    H    CYS   6           H        CYS   6  -2.307  -1.219  -6.243
   42    HA   CYS   6           HA       CYS   6  -1.456  -2.691  -3.897
   43   1HB   CYS   6          1HB       CYS   6  -3.290  -3.667  -5.033
   44   2HB   CYS   6          2HB       CYS   6  -2.517  -3.488  -6.603
   45    H    ARG   7           H        ARG   7   0.525  -3.524  -3.561
   46    HA   ARG   7           HA       ARG   7   2.360  -3.705  -5.852
   47   1HB   ARG   7          1HB       ARG   7   2.955  -2.474  -3.162
   48   2HB   ARG   7          2HB       ARG   7   4.198  -2.915  -4.326
   49   1HG   ARG   7          1HG       ARG   7   3.059  -1.393  -5.966
   50   2HG   ARG   7          2HG       ARG   7   2.047  -0.838  -4.632
   51   1HD   ARG   7          1HD       ARG   7   4.044  -0.136  -3.409
   52   2HD   ARG   7          2HD       ARG   7   5.059  -0.704  -4.733
   53    HE   ARG   7           HE       ARG   7   3.062   1.392  -5.219
   54   1HH1  ARG   7          1HH1      ARG   7   6.386   0.350  -5.088
   55   2HH1  ARG   7          2HH1      ARG   7   6.991   1.754  -5.902
   56   1HH2  ARG   7          1HH2      ARG   7   3.852   3.242  -6.291
   57   2HH2  ARG   7          2HH2      ARG   7   5.553   3.398  -6.582
   58    H    LYS   8           H        LYS   8   4.482  -4.848  -5.046
   59    HA   LYS   8           HA       LYS   8   3.693  -7.193  -3.445
   60   1HB   LYS   8          1HB       LYS   8   3.822  -7.826  -5.783
   61   2HB   LYS   8          2HB       LYS   8   5.412  -7.092  -5.930
   62   1HG   LYS   8          1HG       LYS   8   6.191  -8.759  -4.188
   63   2HG   LYS   8          2HG       LYS   8   4.649  -9.580  -4.434
   64   1HD   LYS   8          1HD       LYS   8   6.594  -8.956  -6.652
   65   2HD   LYS   8          2HD       LYS   8   6.552 -10.493  -5.786
   66   1HE   LYS   8          1HE       LYS   8   4.240  -9.304  -7.314
   67   2HE   LYS   8          2HE       LYS   8   5.323 -10.550  -7.932
   68   1HZ   LYS   8          1HZ       LYS   8   3.280 -11.500  -7.060
   69   2HZ   LYS   8          2HZ       LYS   8   3.574 -10.810  -5.544
   70   3HZ   LYS   8          3HZ       LYS   8   4.609 -12.007  -6.142
   71    H    GLY   9           H        GLY   9   4.697  -6.842  -1.537
   72   1HA   GLY   9          1HA       GLY   9   6.762  -7.302  -0.354
   73   2HA   GLY   9          2HA       GLY   9   7.622  -6.470  -1.640
   74    H    HIS  10           H        HIS  10   8.194  -4.426  -1.290
   75    HA   HIS  10           HA       HIS  10   6.838  -2.975   0.889
   76   1HB   HIS  10          1HB       HIS  10   9.267  -3.746   1.249
   77   2HB   HIS  10          2HB       HIS  10   9.700  -2.508   0.075
   78    HD1  HIS  10           1HD      HIS  10   8.138  -2.882   3.489
   79    HD2  HIS  10           2HD      HIS  10   9.807   0.053   1.066
   80    HE1  HIS  10           1HE      HIS  10   8.356  -0.847   4.951
   81    HE2  HIS  10           2HE      HIS  10   9.431   0.897   3.483
   82    H    CYS  11           H        CYS  11   5.953  -1.078   0.392
   83    HA   CYS  11           HA       CYS  11   6.100  -0.096  -2.311
   84   1HB   CYS  11          1HB       CYS  11   3.983  -0.098  -1.013
   85   2HB   CYS  11          2HB       CYS  11   4.683   1.080   0.090
   86    H    LYS  12           H        LYS  12   6.284   2.384  -2.577
   87    HA   LYS  12           HA       LYS  12   8.912   3.123  -1.719
   88   1HB   LYS  12          1HB       LYS  12   8.548   5.151  -3.047
   89   2HB   LYS  12          2HB       LYS  12   8.108   3.708  -3.951
   90   1HG   LYS  12          1HG       LYS  12   5.755   4.122  -3.509
   91   2HG   LYS  12          2HG       LYS  12   6.174   5.541  -2.547
   92   1HD   LYS  12          1HD       LYS  12   7.232   6.530  -4.563
   93   2HD   LYS  12          2HD       LYS  12   6.661   5.146  -5.498
   94   1HE   LYS  12          1HE       LYS  12   4.350   5.718  -4.923
   95   2HE   LYS  12          2HE       LYS  12   4.925   7.101  -3.992
   96   1HZ   LYS  12          1HZ       LYS  12   5.236   6.706  -6.918
   97   2HZ   LYS  12          2HZ       LYS  12   5.873   8.006  -6.045
   98   3HZ   LYS  12          3HZ       LYS  12   4.198   7.806  -6.160
   99    H    ARG  13           H        ARG  13   5.629   4.183  -0.945
  100    HA   ARG  13           HA       ARG  13   6.405   5.083   1.635
  101   1HB   ARG  13          1HB       ARG  13   6.067   7.449   1.396
  102   2HB   ARG  13          2HB       ARG  13   7.277   6.947   0.227
  103   1HG   ARG  13          1HG       ARG  13   5.433   6.865  -1.483
  104   2HG   ARG  13          2HG       ARG  13   4.400   7.649  -0.285
  105   1HD   ARG  13          1HD       ARG  13   6.964   8.729  -1.449
  106   2HD   ARG  13          2HD       ARG  13   5.331   9.309  -1.774
  107    HE   ARG  13           HE       ARG  13   5.550   9.582   0.905
  108   1HH1  ARG  13          1HH1      ARG  13   7.552  10.594  -1.761
  109   2HH1  ARG  13          2HH1      ARG  13   8.151  11.999  -0.945
  110   1HH2  ARG  13          1HH2      ARG  13   6.335  11.429   1.987
  111   2HH2  ARG  13          2HH2      ARG  13   7.460  12.475   1.185
  112    H    GLY  14           H        GLY  14   4.651   5.418   2.977
  113   1HA   GLY  14          1HA       GLY  14   2.436   5.535   3.629
  114   2HA   GLY  14          2HA       GLY  14   1.998   5.811   1.950
  115    H    GLU  15           H        GLU  15   3.520   3.122   3.739
  116    HA   GLU  15           HA       GLU  15   2.010   1.201   2.196
  117   1HB   GLU  15          1HB       GLU  15   3.756   0.618   4.586
  118   2HB   GLU  15          2HB       GLU  15   3.302  -0.479   3.289
  119   1HG   GLU  15          1HG       GLU  15   5.468   0.036   2.741
  120   2HG   GLU  15          2HG       GLU  15   4.567   1.202   1.772
  121    H    ARG  16           H        ARG  16   0.690  -0.478   3.213
  122    HA   ARG  16           HA       ARG  16  -0.261  -0.161   5.879
  123   1HB   ARG  16          1HB       ARG  16  -1.366   1.733   4.502
  124   2HB   ARG  16          2HB       ARG  16  -2.340   0.449   3.798
  125   1HG   ARG  16          1HG       ARG  16  -3.601   1.367   5.568
  126   2HG   ARG  16          2HG       ARG  16  -2.996  -0.191   6.139
  127   1HD   ARG  16          1HD       ARG  16  -2.761   1.499   7.869
  128   2HD   ARG  16          2HD       ARG  16  -1.177   0.956   7.315
  129    HE   ARG  16           HE       ARG  16  -2.170   3.324   5.997
  130   1HH1  ARG  16          1HH1      ARG  16  -0.322   2.056   8.666
  131   2HH1  ARG  16          2HH1      ARG  16   0.581   3.516   8.900
  132   1HH2  ARG  16          1HH2      ARG  16  -0.987   5.246   6.299
  133   2HH2  ARG  16          2HH2      ARG  16   0.203   5.329   7.555
  134    H    VAL  17           H        VAL  17  -1.857  -1.740   6.469
  135    HA   VAL  17           HA       VAL  17  -2.220  -3.894   4.502
  136    HB   VAL  17           HB       VAL  17  -1.705  -4.477   7.409
  137   1HG1  VAL  17          1HG1      VAL  17  -1.457  -6.150   4.911
  138   2HG1  VAL  17          2HG1      VAL  17  -2.771  -6.227   6.084
  139   3HG1  VAL  17          3HG1      VAL  17  -1.138  -6.698   6.557
  140   1HG2  VAL  17          1HG2      VAL  17   0.344  -4.334   5.199
  141   2HG2  VAL  17          2HG2      VAL  17   0.627  -4.994   6.809
  142   3HG2  VAL  17          3HG2      VAL  17   0.252  -3.282   6.611
  143    H    ARG  18           H        ARG  18  -4.108  -1.965   4.991
  144    HA   ARG  18           HA       ARG  18  -6.028  -3.016   6.903
  145   1HB   ARG  18          1HB       ARG  18  -5.763  -0.586   6.698
  146   2HB   ARG  18          2HB       ARG  18  -6.204  -0.671   4.999
  147   1HG   ARG  18          1HG       ARG  18  -8.066   0.117   6.325
  148   2HG   ARG  18          2HG       ARG  18  -8.436  -1.458   5.621
  149   1HD   ARG  18          1HD       ARG  18  -9.173  -1.334   7.944
  150   2HD   ARG  18          2HD       ARG  18  -7.904  -2.541   7.742
  151    HE   ARG  18           HE       ARG  18  -6.865   0.002   8.519
  152   1HH1  ARG  18          1HH1      ARG  18  -8.394  -2.894   9.706
  153   2HH1  ARG  18          2HH1      ARG  18  -7.756  -2.730  11.308
  154   1HH2  ARG  18          1HH2      ARG  18  -6.019   0.227  10.626
  155   2HH2  ARG  18          2HH2      ARG  18  -6.404  -0.957  11.830
  156    H    GLY  19           H        GLY  19  -5.348  -3.072   3.526
  157   1HA   GLY  19          1HA       GLY  19  -7.606  -4.900   3.114
  158   2HA   GLY  19          2HA       GLY  19  -7.435  -3.518   2.038
  159    H    THR  20           H        THR  20  -5.632  -6.299   3.299
  160    HA   THR  20           HA       THR  20  -3.462  -6.391   1.689
  161    HB   THR  20           HB       THR  20  -3.788  -8.080   3.370
  162    HG1  THR  20           1HG      THR  20  -3.666  -9.185   0.746
  163   1HG2  THR  20          1HG2      THR  20  -5.991  -9.187   1.624
  164   2HG2  THR  20          2HG2      THR  20  -6.224  -8.334   3.149
  165   3HG2  THR  20          3HG2      THR  20  -5.400  -9.893   3.128
  166    H    CYS  21           H        CYS  21  -2.988  -6.649  -0.379
  167    HA   CYS  21           HA       CYS  21  -5.126  -6.821  -2.310
  168   1HB   CYS  21          1HB       CYS  21  -3.316  -5.237  -2.675
  169   2HB   CYS  21          2HB       CYS  21  -2.134  -6.540  -2.643
  170    H    GLY  22           H        GLY  22  -2.713  -8.921  -0.959
  171   1HA   GLY  22          1HA       GLY  22  -3.912 -11.233  -2.088
  172   2HA   GLY  22          2HA       GLY  22  -2.435 -10.834  -2.953
  173    H    ILE  23           H        ILE  23  -1.693 -12.930  -2.196
  174    HA   ILE  23           HA       ILE  23  -1.346 -13.517   0.548
  175    HB   ILE  23           HB       ILE  23   0.332 -14.584  -1.723
  176   1HG1  ILE  23          1HG1      ILE  23  -2.284 -15.681  -0.664
  177   2HG1  ILE  23          2HG1      ILE  23  -2.119 -14.786  -2.172
  178   1HG2  ILE  23          1HG2      ILE  23   1.162 -15.073   0.525
  179   2HG2  ILE  23          2HG2      ILE  23   0.592 -16.535  -0.282
  180   3HG2  ILE  23          3HG2      ILE  23  -0.403 -15.764   0.954
  181   1HD1  ILE  23          1HD1      ILE  23  -0.860 -17.440  -1.522
  182   2HD1  ILE  23          2HD1      ILE  23  -0.612 -16.534  -3.014
  183   3HD1  ILE  23          3HD1      ILE  23  -2.215 -17.151  -2.614
  184    H    ARG  24           H        ARG  24   1.147 -12.695  -1.870
  185    HA   ARG  24           HA       ARG  24   2.861 -11.727   0.300
  186   1HB   ARG  24          1HB       ARG  24   4.678 -11.836  -1.341
  187   2HB   ARG  24          2HB       ARG  24   3.841 -13.376  -1.214
  188   1HG   ARG  24          1HG       ARG  24   2.545 -12.757  -3.252
  189   2HG   ARG  24          2HG       ARG  24   3.578 -11.334  -3.407
  190   1HD   ARG  24          1HD       ARG  24   4.393 -13.116  -4.833
  191   2HD   ARG  24          2HD       ARG  24   5.546 -12.801  -3.536
  192    HE   ARG  24           HE       ARG  24   4.337 -14.793  -2.431
  193   1HH1  ARG  24          1HH1      ARG  24   4.945 -14.432  -5.845
  194   2HH1  ARG  24          2HH1      ARG  24   5.021 -16.137  -6.142
  195   1HH2  ARG  24          1HH2      ARG  24   4.438 -17.039  -2.815
  196   2HH2  ARG  24          2HH2      ARG  24   4.732 -17.618  -4.421
  197    H    PHE  25           H        PHE  25   0.522 -10.371  -1.281
  198    HA   PHE  25           HA       PHE  25   1.945  -7.977  -2.190
  199   1HB   PHE  25          1HB       PHE  25  -0.973  -8.731  -2.451
  200   2HB   PHE  25          2HB       PHE  25  -0.223  -7.296  -3.142
  201    HD1  PHE  25           1HD      PHE  25  -0.497 -10.946  -3.357
  202    HD2  PHE  25           2HD      PHE  25   1.128  -7.429  -5.114
  203    HE1  PHE  25           1HE      PHE  25   0.051 -12.221  -5.388
  204    HE2  PHE  25           2HE      PHE  25   1.678  -8.696  -7.151
  205    HZ   PHE  25           HZ       PHE  25   1.140 -11.095  -7.290
  206    H    LEU  26           H        LEU  26   0.695  -5.869  -1.696
  207    HA   LEU  26           HA       LEU  26  -0.599  -5.813   0.892
  208   1HB   LEU  26          1HB       LEU  26   0.952  -4.428   2.006
  209   2HB   LEU  26          2HB       LEU  26   1.880  -5.758   1.344
  210    HG   LEU  26           HG       LEU  26   1.692  -3.051   0.026
  211   1HD1  LEU  26          1HD1      LEU  26   3.870  -4.119   1.817
  212   2HD1  LEU  26          2HD1      LEU  26   2.711  -2.863   2.252
  213   3HD1  LEU  26          3HD1      LEU  26   3.877  -2.577   0.961
  214   1HD2  LEU  26          1HD2      LEU  26   3.704  -3.829  -1.162
  215   2HD2  LEU  26          2HD2      LEU  26   2.298  -4.844  -1.486
  216   3HD2  LEU  26          3HD2      LEU  26   3.546  -5.397  -0.369
  217    H    TYR  27           H        TYR  27  -1.041  -3.419   1.507
  218    HA   TYR  27           HA       TYR  27  -1.961  -2.095  -0.951
  219   1HB   TYR  27          1HB       TYR  27  -3.397  -2.897   1.274
  220   2HB   TYR  27          2HB       TYR  27  -3.176  -1.171   1.535
  221    HD1  TYR  27           1HD      TYR  27  -3.989  -3.429  -1.331
  222    HD2  TYR  27           2HD      TYR  27  -4.895   0.159   0.768
  223    HE1  TYR  27           1HE      TYR  27  -5.816  -2.970  -2.913
  224    HE2  TYR  27           2HE      TYR  27  -6.724   0.627  -0.806
  225    HH   TYR  27           HH       TYR  27  -7.904  -1.688  -2.995
  226    H    CYS  28           H        CYS  28  -1.155  -0.187  -1.477
  227    HA   CYS  28           HA       CYS  28   0.219   1.387   0.603
  228   1HB   CYS  28          1HB       CYS  28   1.853   0.331  -0.890
  229   2HB   CYS  28          2HB       CYS  28   1.047   1.036  -2.287
  230    H    CYS  29           H        CYS  29  -1.060   3.082   0.989
  231    HA   CYS  29           HA       CYS  29  -2.471   4.344  -1.255
  232   1HB   CYS  29          1HB       CYS  29  -2.864   4.729   1.720
  233   2HB   CYS  29          2HB       CYS  29  -3.851   5.433   0.445
  234    HA   PRO  30           HA       PRO  30   0.026   7.966  -1.459
  235   1HB   PRO  30          1HB       PRO  30  -2.452   9.573  -1.136
  236   2HB   PRO  30          2HB       PRO  30  -1.238   9.620  -2.418
  237   1HG   PRO  30          1HG       PRO  30  -3.626   8.502  -2.826
  238   2HG   PRO  30          2HG       PRO  30  -2.154   7.811  -3.534
  239   1HD   PRO  30          1HD       PRO  30  -3.748   6.879  -1.190
  240   2HD   PRO  30          2HD       PRO  30  -2.887   5.935  -2.420
  241    H    ARG  31           H        ARG  31  -0.075  10.376  -0.381
  242    HA   ARG  31           HA       ARG  31   0.674   9.987   2.303
  243   1HB   ARG  31          1HB       ARG  31  -0.015  12.562   0.872
  244   2HB   ARG  31          2HB       ARG  31   0.831  12.445   2.409
  245   1HG   ARG  31          1HG       ARG  31   1.836  11.295  -0.185
  246   2HG   ARG  31          2HG       ARG  31   2.322  12.855   0.482
  247   1HD   ARG  31          1HD       ARG  31   2.680  10.187   1.846
  248   2HD   ARG  31          2HD       ARG  31   3.941  11.059   0.976
  249    HE   ARG  31           HE       ARG  31   3.033  12.841   2.835
  250   1HH1  ARG  31          1HH1      ARG  31   4.324   9.605   2.946
  251   2HH1  ARG  31          2HH1      ARG  31   5.038   9.805   4.511
  252   1HH2  ARG  31          1HH2      ARG  31   3.971  13.114   4.896
  253   2HH2  ARG  31          2HH2      ARG  31   4.839  11.800   5.619
  254    H    ARG  32           H        ARG  32  -1.824  12.329   1.360
  255    HA   ARG  32           HA       ARG  32  -3.678  11.149   3.283
  256   1HB   ARG  32          1HB       ARG  32  -2.748  14.023   3.384
  257   2HB   ARG  32          2HB       ARG  32  -4.122  13.393   4.282
  258   1HG   ARG  32          1HG       ARG  32  -2.681  11.914   5.531
  259   2HG   ARG  32          2HG       ARG  32  -1.288  12.418   4.571
  260   1HD   ARG  32          1HD       ARG  32  -1.484  14.679   5.425
  261   2HD   ARG  32          2HD       ARG  32  -2.933  14.236   6.326
  262    HE   ARG  32           HE       ARG  32  -1.300  12.577   7.455
  263   1HH1  ARG  32          1HH1      ARG  32  -0.522  15.803   6.383
  264   2HH1  ARG  32          2HH1      ARG  32   0.712  16.038   7.576
  265   1HH2  ARG  32          1HH2      ARG  32   0.322  12.881   9.025
  266   2HH2  ARG  32          2HH2      ARG  32   1.192  14.378   9.077
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  -8.580  11.267  -6.175
    2   2H    GLY   1          2H        GLY   1  -8.762  11.234  -4.494
    3   3H    GLY   1          3H        GLY   1  -8.619   9.786  -5.357
    4   1HA   GLY   1          1HA       GLY   1  -6.359  10.341  -5.991
    5   2HA   GLY   1          2HA       GLY   1  -6.505  11.859  -5.117
    6    H    LEU   2           H        LEU   2  -8.226   9.603  -3.435
    7    HA   LEU   2           HA       LEU   2  -5.939   9.058  -1.664
    8   1HB   LEU   2          1HB       LEU   2  -7.885   8.673   0.033
    9   2HB   LEU   2          2HB       LEU   2  -7.349  10.298  -0.347
   10    HG   LEU   2           HG       LEU   2  -9.241  10.454  -1.993
   11   1HD1  LEU   2          1HD1      LEU   2  -9.626   8.078  -2.336
   12   2HD1  LEU   2          2HD1      LEU   2 -11.090   8.870  -1.755
   13   3HD1  LEU   2          3HD1      LEU   2 -10.115   7.899  -0.651
   14   1HD2  LEU   2          1HD2      LEU   2 -10.934  10.861  -0.292
   15   2HD2  LEU   2          2HD2      LEU   2  -9.359  11.449   0.240
   16   3HD2  LEU   2          3HD2      LEU   2  -9.997   9.935   0.881
   17    H    LEU   3           H        LEU   3  -6.747   7.467  -3.979
   18    HA   LEU   3           HA       LEU   3  -7.867   5.043  -2.812
   19   1HB   LEU   3          1HB       LEU   3  -6.972   5.606  -5.641
   20   2HB   LEU   3          2HB       LEU   3  -7.827   4.174  -5.101
   21    HG   LEU   3           HG       LEU   3  -8.935   6.982  -5.066
   22   1HD1  LEU   3          1HD1      LEU   3  -9.555   4.644  -6.866
   23   2HD1  LEU   3          2HD1      LEU   3  -8.688   6.110  -7.328
   24   3HD1  LEU   3          3HD1      LEU   3 -10.388   6.199  -6.865
   25   1HD2  LEU   3          1HD2      LEU   3  -9.848   5.625  -3.267
   26   2HD2  LEU   3          2HD2      LEU   3 -10.225   4.336  -4.409
   27   3HD2  LEU   3          3HD2      LEU   3 -11.061   5.884  -4.520
   28    H    CYS   4           H        CYS   4  -6.740   3.224  -2.372
   29    HA   CYS   4           HA       CYS   4  -3.876   3.420  -2.230
   30   1HB   CYS   4          1HB       CYS   4  -5.323   0.854  -1.726
   31   2HB   CYS   4          2HB       CYS   4  -3.949   1.551  -0.876
   32    H    TYR   5           H        TYR   5  -2.600   1.357  -2.896
   33    HA   TYR   5           HA       TYR   5  -3.509   0.313  -5.476
   34   1HB   TYR   5          1HB       TYR   5  -0.800   1.593  -5.047
   35   2HB   TYR   5          2HB       TYR   5  -1.332   0.783  -6.516
   36    HD1  TYR   5           1HD      TYR   5  -1.297   3.863  -4.665
   37    HD2  TYR   5           2HD      TYR   5  -3.252   1.787  -7.822
   38    HE1  TYR   5           1HE      TYR   5  -2.196   5.993  -5.502
   39    HE2  TYR   5           2HE      TYR   5  -4.156   3.912  -8.668
   40    HH   TYR   5           HH       TYR   5  -4.661   6.159  -7.832
   41    H    CYS   6           H        CYS   6  -2.825  -1.737  -5.928
   42    HA   CYS   6           HA       CYS   6  -1.740  -3.255  -3.737
   43   1HB   CYS   6          1HB       CYS   6  -2.423  -4.136  -6.551
   44   2HB   CYS   6          2HB       CYS   6  -2.095  -5.199  -5.186
   45    H    ARG   7           H        ARG   7   0.353  -3.603  -3.376
   46    HA   ARG   7           HA       ARG   7   2.177  -3.818  -5.654
   47   1HB   ARG   7          1HB       ARG   7   2.571  -1.935  -3.324
   48   2HB   ARG   7          2HB       ARG   7   3.847  -2.380  -4.449
   49   1HG   ARG   7          1HG       ARG   7   2.492  -1.447  -6.294
   50   2HG   ARG   7          2HG       ARG   7   1.298  -0.919  -5.106
   51   1HD   ARG   7          1HD       ARG   7   2.977   0.473  -4.020
   52   2HD   ARG   7          2HD       ARG   7   4.195  -0.078  -5.169
   53    HE   ARG   7           HE       ARG   7   2.093   1.857  -5.642
   54   1HH1  ARG   7          1HH1      ARG   7   4.486  -0.256  -7.036
   55   2HH1  ARG   7          2HH1      ARG   7   4.573   0.615  -8.529
   56   1HH2  ARG   7          1HH2      ARG   7   2.202   3.010  -7.608
   57   2HH2  ARG   7          2HH2      ARG   7   3.275   2.470  -8.855
   58    H    LYS   8           H        LYS   8   4.482  -4.361  -4.720
   59    HA   LYS   8           HA       LYS   8   4.307  -6.092  -2.379
   60   1HB   LYS   8          1HB       LYS   8   3.759  -7.607  -4.174
   61   2HB   LYS   8          2HB       LYS   8   5.122  -7.043  -5.129
   62   1HG   LYS   8          1HG       LYS   8   5.517  -9.238  -4.100
   63   2HG   LYS   8          2HG       LYS   8   6.678  -8.021  -3.569
   64   1HD   LYS   8          1HD       LYS   8   5.369  -7.709  -1.504
   65   2HD   LYS   8          2HD       LYS   8   4.255  -8.969  -2.037
   66   1HE   LYS   8          1HE       LYS   8   6.029 -10.608  -1.992
   67   2HE   LYS   8          2HE       LYS   8   7.211  -9.362  -1.593
   68   1HZ   LYS   8          1HZ       LYS   8   6.105  -9.006   0.506
   69   2HZ   LYS   8          2HZ       LYS   8   6.512 -10.641   0.353
   70   3HZ   LYS   8          3HZ       LYS   8   4.914 -10.143   0.120
   71    H    GLY   9           H        GLY   9   6.029  -5.822  -1.128
   72   1HA   GLY   9          1HA       GLY   9   8.462  -5.890  -0.920
   73   2HA   GLY   9          2HA       GLY   9   8.547  -4.927  -2.387
   74    H    HIS  10           H        HIS  10   8.072  -2.706  -2.299
   75    HA   HIS  10           HA       HIS  10   7.477  -1.500   0.260
   76   1HB   HIS  10          1HB       HIS  10   9.500   0.005   0.112
   77   2HB   HIS  10          2HB       HIS  10   9.835  -1.672   0.536
   78    HD1  HIS  10           1HD      HIS  10  10.166  -3.107  -1.971
   79    HD2  HIS  10           2HD      HIS  10  11.414   0.837  -1.594
   80    HE1  HIS  10           1HE      HIS  10  11.853  -2.764  -3.790
   81    HE2  HIS  10           2HE      HIS  10  12.534  -0.345  -3.606
   82    H    CYS  11           H        CYS  11   5.892  -0.154  -0.255
   83    HA   CYS  11           HA       CYS  11   5.595   0.958  -2.870
   84   1HB   CYS  11          1HB       CYS  11   3.683   0.344  -1.386
   85   2HB   CYS  11          2HB       CYS  11   4.113   1.690  -0.337
   86    H    LYS  12           H        LYS  12   5.039   3.419  -2.979
   87    HA   LYS  12           HA       LYS  12   7.449   4.819  -2.368
   88   1HB   LYS  12          1HB       LYS  12   6.379   6.728  -3.463
   89   2HB   LYS  12          2HB       LYS  12   6.208   5.269  -4.427
   90   1HG   LYS  12          1HG       LYS  12   3.910   5.006  -3.550
   91   2HG   LYS  12          2HG       LYS  12   4.098   6.538  -2.694
   92   1HD   LYS  12          1HD       LYS  12   2.954   7.048  -4.698
   93   2HD   LYS  12          2HD       LYS  12   4.619   7.578  -4.941
   94   1HE   LYS  12          1HE       LYS  12   3.843   6.441  -6.920
   95   2HE   LYS  12          2HE       LYS  12   5.080   5.463  -6.132
   96   1HZ   LYS  12          1HZ       LYS  12   3.202   4.122  -6.857
   97   2HZ   LYS  12          2HZ       LYS  12   2.148   5.039  -5.904
   98   3HZ   LYS  12          3HZ       LYS  12   3.344   4.092  -5.172
   99    H    ARG  13           H        ARG  13   4.170   4.828  -1.088
  100    HA   ARG  13           HA       ARG  13   4.973   5.712   1.458
  101   1HB   ARG  13          1HB       ARG  13   3.967   7.952   1.477
  102   2HB   ARG  13          2HB       ARG  13   5.310   7.859   0.353
  103   1HG   ARG  13          1HG       ARG  13   3.570   7.467  -1.455
  104   2HG   ARG  13          2HG       ARG  13   2.377   7.970  -0.259
  105   1HD   ARG  13          1HD       ARG  13   3.099   9.815  -1.720
  106   2HD   ARG  13          2HD       ARG  13   3.462  10.113  -0.021
  107    HE   ARG  13           HE       ARG  13   5.748   9.014  -0.980
  108   1HH1  ARG  13          1HH1      ARG  13   3.765  11.696  -1.993
  109   2HH1  ARG  13          2HH1      ARG  13   5.093  12.599  -2.640
  110   1HH2  ARG  13          1HH2      ARG  13   7.501  10.198  -1.826
  111   2HH2  ARG  13          2HH2      ARG  13   7.217  11.749  -2.543
  112    H    GLY  14           H        GLY  14   3.557   4.756   2.749
  113   1HA   GLY  14          1HA       GLY  14   1.240   4.784   3.567
  114   2HA   GLY  14          2HA       GLY  14   0.732   4.662   1.891
  115    H    GLU  15           H        GLU  15   3.445   2.800   2.979
  116    HA   GLU  15           HA       GLU  15   2.322   0.355   2.165
  117   1HB   GLU  15          1HB       GLU  15   4.690   0.984   3.929
  118   2HB   GLU  15          2HB       GLU  15   4.262  -0.651   3.448
  119   1HG   GLU  15          1HG       GLU  15   4.660  -0.187   1.172
  120   2HG   GLU  15          2HG       GLU  15   4.804   1.544   1.473
  121    H    ARG  16           H        ARG  16   0.543  -0.449   3.096
  122    HA   ARG  16           HA       ARG  16   0.611  -0.950   5.980
  123   1HB   ARG  16          1HB       ARG  16  -1.793   0.199   4.552
  124   2HB   ARG  16          2HB       ARG  16  -1.704  -0.232   6.253
  125   1HG   ARG  16          1HG       ARG  16  -0.043   1.504   6.625
  126   2HG   ARG  16          2HG       ARG  16  -0.085   1.924   4.911
  127   1HD   ARG  16          1HD       ARG  16  -1.445   3.482   6.148
  128   2HD   ARG  16          2HD       ARG  16  -2.482   2.473   5.142
  129    HE   ARG  16           HE       ARG  16  -2.329   1.270   7.644
  130   1HH1  ARG  16          1HH1      ARG  16  -3.523   4.231   6.245
  131   2HH1  ARG  16          2HH1      ARG  16  -4.782   4.428   7.418
  132   1HH2  ARG  16          1HH2      ARG  16  -3.982   1.522   9.192
  133   2HH2  ARG  16          2HH2      ARG  16  -5.040   2.890   9.095
  134    H    VAL  17           H        VAL  17  -1.322  -2.407   6.589
  135    HA   VAL  17           HA       VAL  17  -1.938  -4.301   4.434
  136    HB   VAL  17           HB       VAL  17  -1.179  -5.278   7.180
  137   1HG1  VAL  17          1HG1      VAL  17  -2.484  -6.802   5.816
  138   2HG1  VAL  17          2HG1      VAL  17  -0.834  -7.400   5.987
  139   3HG1  VAL  17          3HG1      VAL  17  -1.338  -6.625   4.486
  140   1HG2  VAL  17          1HG2      VAL  17   1.036  -5.848   6.292
  141   2HG2  VAL  17          2HG2      VAL  17   0.767  -4.106   6.304
  142   3HG2  VAL  17          3HG2      VAL  17   0.647  -5.005   4.792
  143    H    ARG  18           H        ARG  18  -3.693  -2.407   5.262
  144    HA   ARG  18           HA       ARG  18  -5.418  -3.440   7.335
  145   1HB   ARG  18          1HB       ARG  18  -5.130  -1.005   6.953
  146   2HB   ARG  18          2HB       ARG  18  -5.883  -1.182   5.376
  147   1HG   ARG  18          1HG       ARG  18  -7.966  -1.840   6.394
  148   2HG   ARG  18          2HG       ARG  18  -7.224  -1.818   7.996
  149   1HD   ARG  18          1HD       ARG  18  -8.526   0.205   7.614
  150   2HD   ARG  18          2HD       ARG  18  -6.810   0.582   7.771
  151    HE   ARG  18           HE       ARG  18  -7.402   0.248   5.055
  152   1HH1  ARG  18          1HH1      ARG  18  -8.094   2.432   7.679
  153   2HH1  ARG  18          2HH1      ARG  18  -8.304   3.809   6.650
  154   1HH2  ARG  18          1HH2      ARG  18  -7.678   2.058   3.689
  155   2HH2  ARG  18          2HH2      ARG  18  -8.067   3.596   4.383
  156    H    GLY  19           H        GLY  19  -5.008  -3.843   3.983
  157   1HA   GLY  19          1HA       GLY  19  -7.240  -5.679   3.867
  158   2HA   GLY  19          2HA       GLY  19  -7.411  -4.262   2.839
  159    H    THR  20           H        THR  20  -5.488  -7.132   3.474
  160    HA   THR  20           HA       THR  20  -3.520  -6.982   1.584
  161    HB   THR  20           HB       THR  20  -3.601  -8.862   3.077
  162    HG1  THR  20           1HG      THR  20  -3.263  -9.106   0.439
  163   1HG2  THR  20          1HG2      THR  20  -6.020  -9.115   3.266
  164   2HG2  THR  20          2HG2      THR  20  -5.271 -10.653   2.833
  165   3HG2  THR  20          3HG2      THR  20  -6.103  -9.698   1.604
  166    H    CYS  21           H        CYS  21  -3.310  -7.260  -0.575
  167    HA   CYS  21           HA       CYS  21  -5.782  -7.241  -2.135
  168   1HB   CYS  21          1HB       CYS  21  -4.039  -5.466  -2.459
  169   2HB   CYS  21          2HB       CYS  21  -2.959  -6.712  -3.074
  170    H    GLY  22           H        GLY  22  -3.333  -9.379  -1.209
  171   1HA   GLY  22          1HA       GLY  22  -4.399 -11.463  -2.868
  172   2HA   GLY  22          2HA       GLY  22  -2.794 -10.962  -3.379
  173    H    ILE  23           H        ILE  23  -1.435 -12.512  -2.760
  174    HA   ILE  23           HA       ILE  23  -1.808 -13.828  -0.180
  175    HB   ILE  23           HB       ILE  23   0.195 -14.444  -2.357
  176   1HG1  ILE  23          1HG1      ILE  23  -2.413 -15.831  -1.695
  177   2HG1  ILE  23          2HG1      ILE  23  -2.173 -14.746  -3.059
  178   1HG2  ILE  23          1HG2      ILE  23  -0.635 -16.019   0.079
  179   2HG2  ILE  23          2HG2      ILE  23   0.914 -15.214  -0.165
  180   3HG2  ILE  23          3HG2      ILE  23   0.463 -16.582  -1.181
  181   1HD1  ILE  23          1HD1      ILE  23  -2.077 -17.053  -3.770
  182   2HD1  ILE  23          2HD1      ILE  23  -0.783 -17.377  -2.616
  183   3HD1  ILE  23          3HD1      ILE  23  -0.502 -16.286  -3.973
  184    H    ARG  24           H        ARG  24   1.104 -12.758  -1.934
  185    HA   ARG  24           HA       ARG  24   2.314 -12.028   0.625
  186   1HB   ARG  24          1HB       ARG  24   4.425 -11.956  -0.603
  187   2HB   ARG  24          2HB       ARG  24   3.601 -13.486  -0.870
  188   1HG   ARG  24          1HG       ARG  24   2.722 -12.494  -3.019
  189   2HG   ARG  24          2HG       ARG  24   3.857 -11.168  -2.761
  190   1HD   ARG  24          1HD       ARG  24   4.506 -14.090  -3.103
  191   2HD   ARG  24          2HD       ARG  24   4.875 -12.777  -4.221
  192    HE   ARG  24           HE       ARG  24   6.054 -12.282  -1.699
  193   1HH1  ARG  24          1HH1      ARG  24   6.398 -14.275  -4.539
  194   2HH1  ARG  24          2HH1      ARG  24   8.106 -14.485  -4.341
  195   1HH2  ARG  24          1HH2      ARG  24   8.302 -12.559  -1.431
  196   2HH2  ARG  24          2HH2      ARG  24   9.186 -13.513  -2.574
  197    H    PHE  25           H        PHE  25   0.697 -10.581  -1.944
  198    HA   PHE  25           HA       PHE  25   2.093  -8.096  -2.044
  199   1HB   PHE  25          1HB       PHE  25  -0.605  -9.018  -2.998
  200   2HB   PHE  25          2HB       PHE  25  -0.135  -7.325  -3.105
  201    HD1  PHE  25           1HD      PHE  25   0.897 -10.742  -4.123
  202    HD2  PHE  25           2HD      PHE  25   1.150  -6.563  -4.885
  203    HE1  PHE  25           1HE      PHE  25   2.067 -11.202  -6.238
  204    HE2  PHE  25           2HE      PHE  25   2.320  -7.015  -7.000
  205    HZ   PHE  25           HZ       PHE  25   2.780  -9.337  -7.680
  206    H    LEU  26           H        LEU  26   1.159  -6.020  -1.394
  207    HA   LEU  26           HA       LEU  26  -0.529  -6.206   1.003
  208   1HB   LEU  26          1HB       LEU  26   0.822  -4.523   2.119
  209   2HB   LEU  26          2HB       LEU  26   1.787  -5.931   1.728
  210    HG   LEU  26           HG       LEU  26   1.800  -3.591  -0.127
  211   1HD1  LEU  26          1HD1      LEU  26   3.437  -3.806   2.395
  212   2HD1  LEU  26          2HD1      LEU  26   2.159  -2.631   2.089
  213   3HD1  LEU  26          3HD1      LEU  26   3.637  -2.595   1.129
  214   1HD2  LEU  26          1HD2      LEU  26   4.069  -4.365  -0.560
  215   2HD2  LEU  26          2HD2      LEU  26   2.911  -5.676  -0.781
  216   3HD2  LEU  26          3HD2      LEU  26   3.894  -5.607   0.680
  217    H    TYR  27           H        TYR  27  -1.136  -3.828   1.680
  218    HA   TYR  27           HA       TYR  27  -2.176  -2.558  -0.761
  219   1HB   TYR  27          1HB       TYR  27  -3.521  -3.496   1.476
  220   2HB   TYR  27          2HB       TYR  27  -3.453  -1.757   1.734
  221    HD1  TYR  27           1HD      TYR  27  -3.992  -3.973  -1.232
  222    HD2  TYR  27           2HD      TYR  27  -5.393  -0.698   1.095
  223    HE1  TYR  27           1HE      TYR  27  -5.875  -3.681  -2.786
  224    HE2  TYR  27           2HE      TYR  27  -7.280  -0.398  -0.453
  225    HH   TYR  27           HH       TYR  27  -7.839  -0.925  -2.799
  226    H    CYS  28           H        CYS  28  -1.569  -0.554  -1.248
  227    HA   CYS  28           HA       CYS  28  -0.111   0.980   0.802
  228   1HB   CYS  28          1HB       CYS  28   1.395   0.347  -0.958
  229   2HB   CYS  28          2HB       CYS  28   0.266   0.890  -2.194
  230    H    CYS  29           H        CYS  29  -1.677   2.289   1.614
  231    HA   CYS  29           HA       CYS  29  -3.361   3.788  -0.248
  232   1HB   CYS  29          1HB       CYS  29  -3.479   3.622   2.770
  233   2HB   CYS  29          2HB       CYS  29  -4.635   4.456   1.738
  234    HA   PRO  30           HA       PRO  30  -0.491   7.205   0.299
  235   1HB   PRO  30          1HB       PRO  30  -1.719   8.950  -1.355
  236   2HB   PRO  30          2HB       PRO  30  -0.760   7.593  -1.957
  237   1HG   PRO  30          1HG       PRO  30  -3.732   7.830  -1.671
  238   2HG   PRO  30          2HG       PRO  30  -2.789   7.173  -3.022
  239   1HD   PRO  30          1HD       PRO  30  -3.973   5.599  -1.155
  240   2HD   PRO  30          2HD       PRO  30  -2.464   5.149  -1.976
  241    H    ARG  31           H        ARG  31  -0.436   8.822   1.743
  242    HA   ARG  31           HA       ARG  31  -2.745   9.404   3.320
  243   1HB   ARG  31          1HB       ARG  31  -0.499   9.330   4.303
  244   2HB   ARG  31          2HB       ARG  31  -0.006  10.690   3.306
  245   1HG   ARG  31          1HG       ARG  31  -0.449  11.485   5.511
  246   2HG   ARG  31          2HG       ARG  31  -1.722  12.078   4.443
  247   1HD   ARG  31          1HD       ARG  31  -3.202  10.293   5.213
  248   2HD   ARG  31          2HD       ARG  31  -1.928   9.683   6.267
  249    HE   ARG  31           HE       ARG  31  -2.506  12.418   6.799
  250   1HH1  ARG  31          1HH1      ARG  31  -3.650   9.171   7.343
  251   2HH1  ARG  31          2HH1      ARG  31  -4.480   9.572   8.809
  252   1HH2  ARG  31          1HH2      ARG  31  -3.596  12.953   8.729
  253   2HH2  ARG  31          2HH2      ARG  31  -4.452  11.721   9.594
  254    H    ARG  32           H        ARG  32  -1.250  10.827   0.556
  255    HA   ARG  32           HA       ARG  32  -2.358  13.444   0.866
  256   1HB   ARG  32          1HB       ARG  32  -0.334  12.997  -0.487
  257   2HB   ARG  32          2HB       ARG  32  -1.313  12.081  -1.624
  258   1HG   ARG  32          1HG       ARG  32  -2.571  14.081  -2.187
  259   2HG   ARG  32          2HG       ARG  32  -1.644  15.011  -1.007
  260   1HD   ARG  32          1HD       ARG  32   0.412  14.513  -2.263
  261   2HD   ARG  32          2HD       ARG  32  -0.543  13.635  -3.455
  262    HE   ARG  32           HE       ARG  32  -1.697  16.072  -3.448
  263   1HH1  ARG  32          1HH1      ARG  32   1.614  15.024  -3.724
  264   2HH1  ARG  32          2HH1      ARG  32   2.090  16.359  -4.721
  265   1HH2  ARG  32          1HH2      ARG  32  -1.079  17.835  -4.765
  266   2HH2  ARG  32          2HH2      ARG  32   0.560  17.954  -5.313
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  -7.931  14.382  -3.994
    2   2H    GLY   1          2H        GLY   1  -8.344  13.857  -2.442
    3   3H    GLY   1          3H        GLY   1  -9.515  14.569  -3.432
    4   1HA   GLY   1          1HA       GLY   1  -9.852  12.200  -3.392
    5   2HA   GLY   1          2HA       GLY   1  -9.352  12.724  -4.993
    6    H    LEU   2           H        LEU   2  -8.956  10.331  -2.871
    7    HA   LEU   2           HA       LEU   2  -6.240   9.748  -3.836
    8   1HB   LEU   2          1HB       LEU   2  -5.583   8.846  -1.738
    9   2HB   LEU   2          2HB       LEU   2  -6.239  10.442  -1.434
   10    HG   LEU   2           HG       LEU   2  -7.823   7.904  -1.038
   11   1HD1  LEU   2          1HD1      LEU   2  -6.267   9.506   0.989
   12   2HD1  LEU   2          2HD1      LEU   2  -5.895   7.871   0.443
   13   3HD1  LEU   2          3HD1      LEU   2  -7.371   8.182   1.355
   14   1HD2  LEU   2          1HD2      LEU   2  -8.246  10.754  -0.143
   15   2HD2  LEU   2          2HD2      LEU   2  -9.229   9.379   0.361
   16   3HD2  LEU   2          3HD2      LEU   2  -9.199   9.867  -1.333
   17    H    LEU   3           H        LEU   3  -5.728   7.490  -4.007
   18    HA   LEU   3           HA       LEU   3  -7.950   5.612  -3.846
   19   1HB   LEU   3          1HB       LEU   3  -8.116   6.511  -6.104
   20   2HB   LEU   3          2HB       LEU   3  -6.423   6.158  -6.393
   21    HG   LEU   3           HG       LEU   3  -6.916   3.739  -6.170
   22   1HD1  LEU   3          1HD1      LEU   3  -9.259   3.004  -6.234
   23   2HD1  LEU   3          2HD1      LEU   3  -9.777   4.676  -6.014
   24   3HD1  LEU   3          3HD1      LEU   3  -8.868   3.859  -4.742
   25   1HD2  LEU   3          1HD2      LEU   3  -8.071   3.510  -8.314
   26   2HD2  LEU   3          2HD2      LEU   3  -6.856   4.786  -8.368
   27   3HD2  LEU   3          3HD2      LEU   3  -8.564   5.201  -8.229
   28    H    CYS   4           H        CYS   4  -7.122   4.076  -2.595
   29    HA   CYS   4           HA       CYS   4  -4.393   3.543  -2.244
   30   1HB   CYS   4          1HB       CYS   4  -6.659   1.605  -1.752
   31   2HB   CYS   4          2HB       CYS   4  -5.084   1.625  -0.964
   32    H    TYR   5           H        TYR   5  -3.010   2.034  -3.103
   33    HA   TYR   5           HA       TYR   5  -4.022   0.472  -5.389
   34   1HB   TYR   5          1HB       TYR   5  -1.340   1.852  -5.143
   35   2HB   TYR   5          2HB       TYR   5  -1.822   0.802  -6.472
   36    HD1  TYR   5           1HD      TYR   5  -1.544   4.126  -5.454
   37    HD2  TYR   5           2HD      TYR   5  -4.119   1.529  -7.628
   38    HE1  TYR   5           1HE      TYR   5  -2.486   6.063  -6.639
   39    HE2  TYR   5           2HE      TYR   5  -5.068   3.459  -8.820
   40    HH   TYR   5           HH       TYR   5  -5.318   5.871  -8.515
   41    H    CYS   6           H        CYS   6  -2.796  -1.451  -5.901
   42    HA   CYS   6           HA       CYS   6  -1.914  -2.835  -3.491
   43   1HB   CYS   6          1HB       CYS   6  -3.394  -4.168  -4.717
   44   2HB   CYS   6          2HB       CYS   6  -2.709  -3.681  -6.263
   45    H    ARG   7           H        ARG   7   0.142  -3.417  -3.070
   46    HA   ARG   7           HA       ARG   7   2.146  -3.047  -5.192
   47   1HB   ARG   7          1HB       ARG   7   2.292  -2.052  -2.348
   48   2HB   ARG   7          2HB       ARG   7   3.694  -2.162  -3.402
   49   1HG   ARG   7          1HG       ARG   7   1.230  -0.524  -3.962
   50   2HG   ARG   7          2HG       ARG   7   2.745   0.100  -3.305
   51   1HD   ARG   7          1HD       ARG   7   3.922  -0.561  -5.320
   52   2HD   ARG   7          2HD       ARG   7   2.451  -1.284  -5.968
   53    HE   ARG   7           HE       ARG   7   2.513   1.586  -5.362
   54   1HH1  ARG   7          1HH1      ARG   7   2.255  -1.022  -7.656
   55   2HH1  ARG   7          2HH1      ARG   7   1.735  -0.001  -8.956
   56   1HH2  ARG   7          1HH2      ARG   7   1.826   2.941  -7.066
   57   2HH2  ARG   7          2HH2      ARG   7   1.490   2.251  -8.620
   58    H    LYS   8           H        LYS   8   4.042  -4.312  -5.002
   59    HA   LYS   8           HA       LYS   8   3.665  -6.709  -3.336
   60   1HB   LYS   8          1HB       LYS   8   3.637  -7.089  -5.778
   61   2HB   LYS   8          2HB       LYS   8   5.251  -6.401  -5.892
   62   1HG   LYS   8          1HG       LYS   8   6.116  -8.205  -4.481
   63   2HG   LYS   8          2HG       LYS   8   4.496  -8.898  -4.386
   64   1HD   LYS   8          1HD       LYS   8   4.486  -9.201  -6.816
   65   2HD   LYS   8          2HD       LYS   8   6.107  -8.508  -6.909
   66   1HE   LYS   8          1HE       LYS   8   6.212 -10.934  -6.984
   67   2HE   LYS   8          2HE       LYS   8   6.956 -10.329  -5.505
   68   1HZ   LYS   8          1HZ       LYS   8   4.938 -10.873  -4.303
   69   2HZ   LYS   8          2HZ       LYS   8   5.544 -12.247  -5.082
   70   3HZ   LYS   8          3HZ       LYS   8   4.207 -11.433  -5.722
   71    H    GLY   9           H        GLY   9   4.897  -6.696  -1.577
   72   1HA   GLY   9          1HA       GLY   9   6.986  -6.911  -0.504
   73   2HA   GLY   9          2HA       GLY   9   7.742  -6.096  -1.864
   74    H    HIS  10           H        HIS  10   7.372  -3.761  -2.069
   75    HA   HIS  10           HA       HIS  10   6.606  -2.429   0.413
   76   1HB   HIS  10          1HB       HIS  10   8.697  -0.954   0.113
   77   2HB   HIS  10          2HB       HIS  10   8.906  -2.556   0.814
   78    HD1  HIS  10           1HD      HIS  10   9.453  -4.439  -1.210
   79    HD2  HIS  10           2HD      HIS  10  10.532  -0.472  -1.807
   80    HE1  HIS  10           1HE      HIS  10  11.197  -4.484  -3.007
   81    HE2  HIS  10           2HE      HIS  10  11.784  -2.067  -3.414
   82    H    CYS  11           H        CYS  11   5.879  -0.330   0.178
   83    HA   CYS  11           HA       CYS  11   5.304   0.472  -2.586
   84   1HB   CYS  11          1HB       CYS  11   3.382   0.159  -1.039
   85   2HB   CYS  11          2HB       CYS  11   4.029   1.435  -0.016
   86    H    LYS  12           H        LYS  12   5.207   2.864  -2.959
   87    HA   LYS  12           HA       LYS  12   7.722   4.031  -2.196
   88   1HB   LYS  12          1HB       LYS  12   6.993   5.904  -3.676
   89   2HB   LYS  12          2HB       LYS  12   6.987   4.332  -4.465
   90   1HG   LYS  12          1HG       LYS  12   4.610   4.177  -4.291
   91   2HG   LYS  12          2HG       LYS  12   4.540   5.629  -3.292
   92   1HD   LYS  12          1HD       LYS  12   5.394   6.952  -5.173
   93   2HD   LYS  12          2HD       LYS  12   5.437   5.496  -6.170
   94   1HE   LYS  12          1HE       LYS  12   3.031   5.255  -5.964
   95   2HE   LYS  12          2HE       LYS  12   2.962   6.652  -4.892
   96   1HZ   LYS  12          1HZ       LYS  12   3.755   8.037  -6.706
   97   2HZ   LYS  12          2HZ       LYS  12   2.332   7.236  -7.148
   98   3HZ   LYS  12          3HZ       LYS  12   3.823   6.695  -7.735
   99    H    ARG  13           H        ARG  13   4.404   4.340  -1.246
  100    HA   ARG  13           HA       ARG  13   5.047   5.788   1.084
  101   1HB   ARG  13          1HB       ARG  13   3.926   7.918   0.552
  102   2HB   ARG  13          2HB       ARG  13   5.362   7.662  -0.422
  103   1HG   ARG  13          1HG       ARG  13   3.860   6.837  -2.250
  104   2HG   ARG  13          2HG       ARG  13   2.494   7.375  -1.274
  105   1HD   ARG  13          1HD       ARG  13   4.759   9.175  -2.106
  106   2HD   ARG  13          2HD       ARG  13   3.270   8.994  -3.032
  107    HE   ARG  13           HE       ARG  13   2.960   9.743  -0.244
  108   1HH1  ARG  13          1HH1      ARG  13   3.154  10.780  -3.565
  109   2HH1  ARG  13          2HH1      ARG  13   2.372  12.297  -3.272
  110   1HH2  ARG  13          1HH2      ARG  13   1.929  11.740   0.152
  111   2HH2  ARG  13          2HH2      ARG  13   1.679  12.845  -1.159
  112    H    GLY  14           H        GLY  14   3.644   4.917   2.454
  113   1HA   GLY  14          1HA       GLY  14   1.357   4.932   3.272
  114   2HA   GLY  14          2HA       GLY  14   0.824   4.714   1.613
  115    H    GLU  15           H        GLU  15   3.507   2.930   2.978
  116    HA   GLU  15           HA       GLU  15   2.457   0.428   2.227
  117   1HB   GLU  15          1HB       GLU  15   4.657   1.149   4.171
  118   2HB   GLU  15          2HB       GLU  15   4.296  -0.496   3.668
  119   1HG   GLU  15          1HG       GLU  15   4.936  -0.074   1.454
  120   2HG   GLU  15          2HG       GLU  15   4.969   1.670   1.707
  121    H    ARG  16           H        ARG  16   0.611  -0.351   3.081
  122    HA   ARG  16           HA       ARG  16   0.502  -0.662   5.988
  123   1HB   ARG  16          1HB       ARG  16  -1.734   0.515   4.330
  124   2HB   ARG  16          2HB       ARG  16  -1.886   0.022   6.011
  125   1HG   ARG  16          1HG       ARG  16  -0.164   1.678   6.621
  126   2HG   ARG  16          2HG       ARG  16  -0.107   2.203   4.938
  127   1HD   ARG  16          1HD       ARG  16  -1.522   3.704   6.172
  128   2HD   ARG  16          2HD       ARG  16  -2.523   2.749   5.078
  129    HE   ARG  16           HE       ARG  16  -2.497   1.420   7.511
  130   1HH1  ARG  16          1HH1      ARG  16  -3.559   4.498   6.265
  131   2HH1  ARG  16          2HH1      ARG  16  -4.843   4.665   7.416
  132   1HH2  ARG  16          1HH2      ARG  16  -4.184   1.634   9.029
  133   2HH2  ARG  16          2HH2      ARG  16  -5.196   3.038   8.988
  134    H    VAL  17           H        VAL  17  -1.482  -2.039   6.583
  135    HA   VAL  17           HA       VAL  17  -1.980  -4.094   4.543
  136    HB   VAL  17           HB       VAL  17  -1.465  -4.821   7.421
  137   1HG1  VAL  17          1HG1      VAL  17  -1.452  -6.428   4.869
  138   2HG1  VAL  17          2HG1      VAL  17  -2.720  -6.430   6.096
  139   3HG1  VAL  17          3HG1      VAL  17  -1.118  -7.057   6.482
  140   1HG2  VAL  17          1HG2      VAL  17   0.534  -4.823   5.161
  141   2HG2  VAL  17          2HG2      VAL  17   0.791  -5.523   6.760
  142   3HG2  VAL  17          3HG2      VAL  17   0.570  -3.782   6.584
  143    H    ARG  18           H        ARG  18  -3.812  -2.222   4.897
  144    HA   ARG  18           HA       ARG  18  -5.657  -2.649   7.014
  145   1HB   ARG  18          1HB       ARG  18  -7.214  -1.312   5.626
  146   2HB   ARG  18          2HB       ARG  18  -5.641  -0.545   5.798
  147   1HG   ARG  18          1HG       ARG  18  -5.038  -1.508   3.561
  148   2HG   ARG  18          2HG       ARG  18  -6.727  -1.995   3.400
  149   1HD   ARG  18          1HD       ARG  18  -5.702   0.818   3.769
  150   2HD   ARG  18          2HD       ARG  18  -6.333   0.125   2.275
  151    HE   ARG  18           HE       ARG  18  -8.422  -0.201   3.862
  152   1HH1  ARG  18          1HH1      ARG  18  -6.306   2.546   3.520
  153   2HH1  ARG  18          2HH1      ARG  18  -7.532   3.703   3.919
  154   1HH2  ARG  18          1HH2      ARG  18 -10.044   1.315   4.388
  155   2HH2  ARG  18          2HH2      ARG  18  -9.658   3.004   4.411
  156    H    GLY  19           H        GLY  19  -5.009  -4.165   4.027
  157   1HA   GLY  19          1HA       GLY  19  -7.038  -6.184   4.569
  158   2HA   GLY  19          2HA       GLY  19  -7.140  -5.352   3.021
  159    H    THR  20           H        THR  20  -6.076  -6.231   1.380
  160    HA   THR  20           HA       THR  20  -3.470  -7.205   1.465
  161    HB   THR  20           HB       THR  20  -4.187  -9.070   2.759
  162    HG1  THR  20           1HG      THR  20  -3.850 -10.803   1.189
  163   1HG2  THR  20          1HG2      THR  20  -6.007 -10.570   2.042
  164   2HG2  THR  20          2HG2      THR  20  -6.361  -9.478   0.702
  165   3HG2  THR  20          3HG2      THR  20  -6.586  -8.935   2.364
  166    H    CYS  21           H        CYS  21  -2.864  -8.379  -0.551
  167    HA   CYS  21           HA       CYS  21  -4.750  -7.881  -2.749
  168   1HB   CYS  21          1HB       CYS  21  -3.164  -6.025  -2.690
  169   2HB   CYS  21          2HB       CYS  21  -1.815  -7.153  -2.707
  170    H    GLY  22           H        GLY  22  -2.621  -9.965  -1.180
  171   1HA   GLY  22          1HA       GLY  22  -3.177 -12.181  -2.753
  172   2HA   GLY  22          2HA       GLY  22  -1.678 -11.505  -3.372
  173    H    ILE  23           H        ILE  23  -0.418 -13.249  -2.763
  174    HA   ILE  23           HA       ILE  23  -0.431 -14.432  -0.201
  175    HB   ILE  23           HB       ILE  23   1.910 -14.335  -2.103
  176   1HG1  ILE  23          1HG1      ILE  23  -0.121 -15.066  -3.285
  177   2HG1  ILE  23          2HG1      ILE  23   1.022 -16.391  -3.096
  178   1HG2  ILE  23          1HG2      ILE  23   1.117 -16.318   0.025
  179   2HG2  ILE  23          2HG2      ILE  23   2.466 -15.184   0.094
  180   3HG2  ILE  23          3HG2      ILE  23   2.479 -16.499  -1.082
  181   1HD1  ILE  23          1HD1      ILE  23  -1.397 -15.936  -1.365
  182   2HD1  ILE  23          2HD1      ILE  23  -0.287 -17.304  -1.285
  183   3HD1  ILE  23          3HD1      ILE  23  -1.299 -17.073  -2.710
  184    H    ARG  24           H        ARG  24   2.363 -12.690  -1.529
  185    HA   ARG  24           HA       ARG  24   2.945 -11.682   1.153
  186   1HB   ARG  24          1HB       ARG  24   5.158 -11.100   0.205
  187   2HB   ARG  24          2HB       ARG  24   4.774 -12.808   0.033
  188   1HG   ARG  24          1HG       ARG  24   4.062 -12.339  -2.308
  189   2HG   ARG  24          2HG       ARG  24   4.657 -10.691  -2.101
  190   1HD   ARG  24          1HD       ARG  24   6.290 -13.213  -1.839
  191   2HD   ARG  24          2HD       ARG  24   6.311 -12.108  -3.212
  192    HE   ARG  24           HE       ARG  24   6.943 -10.867  -0.690
  193   1HH1  ARG  24          1HH1      ARG  24   8.197 -12.565  -3.463
  194   2HH1  ARG  24          2HH1      ARG  24   9.809 -11.964  -3.264
  195   1HH2  ARG  24          1HH2      ARG  24   9.066 -10.072  -0.418
  196   2HH2  ARG  24          2HH2      ARG  24  10.303 -10.549  -1.533
  197    H    PHE  25           H        PHE  25   1.291 -10.683  -1.498
  198    HA   PHE  25           HA       PHE  25   2.166  -8.017  -1.843
  199   1HB   PHE  25          1HB       PHE  25  -0.530  -9.282  -2.376
  200   2HB   PHE  25          2HB       PHE  25  -0.061  -7.672  -2.910
  201    HD1  PHE  25           1HD      PHE  25   1.137  -7.363  -4.893
  202    HD2  PHE  25           2HD      PHE  25   0.765 -11.266  -3.239
  203    HE1  PHE  25           1HE      PHE  25   2.090  -8.321  -6.948
  204    HE2  PHE  25           2HE      PHE  25   1.719 -12.232  -5.291
  205    HZ   PHE  25           HZ       PHE  25   2.384 -10.756  -7.149
  206    H    LEU  26           H        LEU  26   1.119  -6.068  -1.175
  207    HA   LEU  26           HA       LEU  26  -0.541  -6.291   1.233
  208   1HB   LEU  26          1HB       LEU  26   0.734  -4.380   2.216
  209   2HB   LEU  26          2HB       LEU  26   1.623  -5.886   2.129
  210    HG   LEU  26           HG       LEU  26   1.939  -3.808  -0.007
  211   1HD1  LEU  26          1HD1      LEU  26   3.835  -2.890   1.245
  212   2HD1  LEU  26          2HD1      LEU  26   3.412  -3.910   2.620
  213   3HD1  LEU  26          3HD1      LEU  26   2.308  -2.641   2.092
  214   1HD2  LEU  26          1HD2      LEU  26   2.885  -5.989  -0.458
  215   2HD2  LEU  26          2HD2      LEU  26   3.721  -5.979   1.095
  216   3HD2  LEU  26          3HD2      LEU  26   4.182  -4.832  -0.163
  217    H    TYR  27           H        TYR  27  -1.214  -3.885   1.866
  218    HA   TYR  27           HA       TYR  27  -2.245  -2.734  -0.638
  219   1HB   TYR  27          1HB       TYR  27  -3.686  -3.738   1.471
  220   2HB   TYR  27          2HB       TYR  27  -3.684  -2.008   1.805
  221    HD1  TYR  27           1HD      TYR  27  -4.299  -4.430  -0.951
  222    HD2  TYR  27           2HD      TYR  27  -5.246  -0.649   0.749
  223    HE1  TYR  27           1HE      TYR  27  -6.061  -4.116  -2.643
  224    HE2  TYR  27           2HE      TYR  27  -7.009  -0.323  -0.932
  225    HH   TYR  27           HH       TYR  27  -8.151  -2.822  -2.909
  226    H    CYS  28           H        CYS  28  -1.511  -0.841  -1.185
  227    HA   CYS  28           HA       CYS  28  -0.375   0.915   0.882
  228   1HB   CYS  28          1HB       CYS  28   1.216   0.202  -0.854
  229   2HB   CYS  28          2HB       CYS  28   0.154   0.851  -2.098
  230    H    CYS  29           H        CYS  29  -0.746   3.211   0.680
  231    HA   CYS  29           HA       CYS  29  -2.748   4.179  -1.130
  232   1HB   CYS  29          1HB       CYS  29  -3.927   2.932   0.849
  233   2HB   CYS  29          2HB       CYS  29  -3.532   4.389   1.753
  234    HA   PRO  30           HA       PRO  30  -0.219   7.776  -0.424
  235   1HB   PRO  30          1HB       PRO  30  -2.617   9.238  -1.392
  236   2HB   PRO  30          2HB       PRO  30  -0.952   9.292  -1.979
  237   1HG   PRO  30          1HG       PRO  30  -2.845   8.017  -3.357
  238   2HG   PRO  30          2HG       PRO  30  -1.197   7.369  -3.250
  239   1HD   PRO  30          1HD       PRO  30  -3.672   6.507  -1.812
  240   2HD   PRO  30          2HD       PRO  30  -2.349   5.524  -2.472
  241    H    ARG  31           H        ARG  31   0.091   8.662   1.504
  242    HA   ARG  31           HA       ARG  31  -2.109   9.040   3.341
  243   1HB   ARG  31          1HB       ARG  31   0.864   9.498   3.617
  244   2HB   ARG  31          2HB       ARG  31  -0.294   9.755   4.916
  245   1HG   ARG  31          1HG       ARG  31  -0.900   7.409   4.879
  246   2HG   ARG  31          2HG       ARG  31   0.190   7.131   3.518
  247   1HD   ARG  31          1HD       ARG  31   1.186   6.439   5.653
  248   2HD   ARG  31          2HD       ARG  31   2.098   7.738   4.886
  249    HE   ARG  31           HE       ARG  31   0.186   8.743   6.743
  250   1HH1  ARG  31          1HH1      ARG  31   3.331   7.261   6.501
  251   2HH1  ARG  31          2HH1      ARG  31   3.907   7.941   7.986
  252   1HH2  ARG  31          1HH2      ARG  31   0.938   9.644   8.697
  253   2HH2  ARG  31          2HH2      ARG  31   2.546   9.297   9.233
  254    H    ARG  32           H        ARG  32  -2.097  10.707   0.983
  255    HA   ARG  32           HA       ARG  32  -2.562  13.231   2.238
  256   1HB   ARG  32          1HB       ARG  32  -0.125  13.372   1.977
  257   2HB   ARG  32          2HB       ARG  32  -0.282  13.034   0.258
  258   1HG   ARG  32          1HG       ARG  32   0.069  15.387   0.583
  259   2HG   ARG  32          2HG       ARG  32  -1.574  15.121  -0.001
  260   1HD   ARG  32          1HD       ARG  32  -1.641  16.755   1.755
  261   2HD   ARG  32          2HD       ARG  32  -2.371  15.263   2.348
  262    HE   ARG  32           HE       ARG  32   0.414  15.459   2.978
  263   1HH1  ARG  32          1HH1      ARG  32  -2.789  16.418   3.968
  264   2HH1  ARG  32          2HH1      ARG  32  -2.343  16.655   5.625
  265   1HH2  ARG  32          1HH2      ARG  32   1.007  15.773   5.156
  266   2HH2  ARG  32          2HH2      ARG  32  -0.186  16.293   6.299
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -11.206  10.387  -5.483
    2   2H    GLY   1          2H        GLY   1 -10.785  10.810  -7.066
    3   3H    GLY   1          3H        GLY   1 -11.562  11.934  -6.068
    4   1HA   GLY   1          1HA       GLY   1  -9.204  12.437  -6.259
    5   2HA   GLY   1          2HA       GLY   1  -9.661  12.042  -4.610
    6    H    LEU   2           H        LEU   2  -7.757  11.258  -3.863
    7    HA   LEU   2           HA       LEU   2  -6.445   9.111  -5.368
    8   1HB   LEU   2          1HB       LEU   2  -5.520  10.783  -3.032
    9   2HB   LEU   2          2HB       LEU   2  -4.605   9.439  -3.686
   10    HG   LEU   2           HG       LEU   2  -4.654  10.694  -5.916
   11   1HD1  LEU   2          1HD1      LEU   2  -6.404  12.284  -5.413
   12   2HD1  LEU   2          2HD1      LEU   2  -4.892  13.138  -5.721
   13   3HD1  LEU   2          3HD1      LEU   2  -5.466  12.932  -4.066
   14   1HD2  LEU   2          1HD2      LEU   2  -2.740  12.080  -5.274
   15   2HD2  LEU   2          2HD2      LEU   2  -2.655  10.477  -4.543
   16   3HD2  LEU   2          3HD2      LEU   2  -3.156  11.863  -3.574
   17    H    LEU   3           H        LEU   3  -7.037   7.109  -4.874
   18    HA   LEU   3           HA       LEU   3  -7.862   6.523  -2.112
   19   1HB   LEU   3          1HB       LEU   3  -8.497   5.070  -4.681
   20   2HB   LEU   3          2HB       LEU   3  -8.981   4.526  -3.086
   21    HG   LEU   3           HG       LEU   3  -9.858   7.116  -4.370
   22   1HD1  LEU   3          1HD1      LEU   3 -11.346   4.526  -3.967
   23   2HD1  LEU   3          2HD1      LEU   3 -10.806   5.188  -5.510
   24   3HD1  LEU   3          3HD1      LEU   3 -12.040   6.030  -4.574
   25   1HD2  LEU   3          1HD2      LEU   3 -10.726   5.771  -1.814
   26   2HD2  LEU   3          2HD2      LEU   3 -11.446   7.223  -2.510
   27   3HD2  LEU   3          3HD2      LEU   3  -9.778   7.253  -1.940
   28    H    CYS   4           H        CYS   4  -7.449   4.132  -1.526
   29    HA   CYS   4           HA       CYS   4  -4.661   3.735  -1.442
   30   1HB   CYS   4          1HB       CYS   4  -6.839   1.715  -0.873
   31   2HB   CYS   4          2HB       CYS   4  -5.172   1.640  -0.313
   32    H    TYR   5           H        TYR   5  -3.458   1.872  -2.239
   33    HA   TYR   5           HA       TYR   5  -4.548   0.718  -4.711
   34   1HB   TYR   5          1HB       TYR   5  -1.758   1.849  -4.413
   35   2HB   TYR   5          2HB       TYR   5  -2.404   1.054  -5.844
   36    HD1  TYR   5           1HD      TYR   5  -4.664   2.152  -6.750
   37    HD2  TYR   5           2HD      TYR   5  -1.752   4.153  -4.379
   38    HE1  TYR   5           1HE      TYR   5  -5.477   4.316  -7.588
   39    HE2  TYR   5           2HE      TYR   5  -2.558   6.323  -5.209
   40    HH   TYR   5           HH       TYR   5  -5.479   6.666  -6.920
   41    H    CYS   6           H        CYS   6  -2.738  -0.941  -5.543
   42    HA   CYS   6           HA       CYS   6  -1.981  -2.618  -3.237
   43   1HB   CYS   6          1HB       CYS   6  -3.682  -3.909  -4.064
   44   2HB   CYS   6          2HB       CYS   6  -3.522  -3.270  -5.695
   45    H    ARG   7           H        ARG   7   0.076  -3.261  -3.178
   46    HA   ARG   7           HA       ARG   7   1.639  -3.298  -5.660
   47   1HB   ARG   7          1HB       ARG   7   2.406  -1.879  -3.109
   48   2HB   ARG   7          2HB       ARG   7   3.556  -2.265  -4.381
   49   1HG   ARG   7          1HG       ARG   7   2.157  -0.937  -5.957
   50   2HG   ARG   7          2HG       ARG   7   1.169  -0.446  -4.580
   51   1HD   ARG   7          1HD       ARG   7   3.066   0.610  -3.536
   52   2HD   ARG   7          2HD       ARG   7   4.142   0.008  -4.797
   53    HE   ARG   7           HE       ARG   7   1.967   1.701  -5.697
   54   1HH1  ARG   7          1HH1      ARG   7   5.306   1.495  -4.719
   55   2HH1  ARG   7          2HH1      ARG   7   5.760   2.970  -5.504
   56   1HH2  ARG   7          1HH2      ARG   7   2.558   3.645  -6.732
   57   2HH2  ARG   7          2HH2      ARG   7   4.198   4.194  -6.646
   58    H    LYS   8           H        LYS   8   4.042  -4.091  -4.838
   59    HA   LYS   8           HA       LYS   8   3.589  -6.431  -3.115
   60   1HB   LYS   8          1HB       LYS   8   3.545  -6.966  -5.605
   61   2HB   LYS   8          2HB       LYS   8   5.250  -6.544  -5.628
   62   1HG   LYS   8          1HG       LYS   8   5.642  -8.287  -3.898
   63   2HG   LYS   8          2HG       LYS   8   3.953  -8.766  -4.069
   64   1HD   LYS   8          1HD       LYS   8   4.916 -10.233  -5.533
   65   2HD   LYS   8          2HD       LYS   8   4.619  -8.881  -6.627
   66   1HE   LYS   8          1HE       LYS   8   7.211  -9.511  -5.220
   67   2HE   LYS   8          2HE       LYS   8   6.868  -9.750  -6.933
   68   1HZ   LYS   8          1HZ       LYS   8   8.120  -7.726  -6.573
   69   2HZ   LYS   8          2HZ       LYS   8   6.935  -7.137  -5.521
   70   3HZ   LYS   8          3HZ       LYS   8   6.578  -7.355  -7.161
   71    H    GLY   9           H        GLY   9   4.969  -6.473  -1.482
   72   1HA   GLY   9          1HA       GLY   9   6.949  -6.352  -0.310
   73   2HA   GLY   9          2HA       GLY   9   7.774  -6.041  -1.828
   74    H    HIS  10           H        HIS  10   8.023  -3.904  -2.550
   75    HA   HIS  10           HA       HIS  10   7.971  -1.960  -0.372
   76   1HB   HIS  10          1HB       HIS  10  10.026  -2.480  -1.851
   77   2HB   HIS  10          2HB       HIS  10   9.212  -1.510  -3.075
   78    HD1  HIS  10           1HD      HIS  10  10.448  -1.171   0.496
   79    HD2  HIS  10           2HD      HIS  10   9.673   1.162  -2.853
   80    HE1  HIS  10           1HE      HIS  10  11.247   1.140   1.088
   81    HE2  HIS  10           2HE      HIS  10  10.697   2.551  -0.926
   82    H    CYS  11           H        CYS  11   7.271   0.231  -0.750
   83    HA   CYS  11           HA       CYS  11   5.330   0.552  -2.930
   84   1HB   CYS  11          1HB       CYS  11   4.858   0.935   0.013
   85   2HB   CYS  11          2HB       CYS  11   3.907   1.818  -1.174
   86    H    LYS  12           H        LYS  12   4.432   3.027  -2.553
   87    HA   LYS  12           HA       LYS  12   6.817   4.633  -2.961
   88   1HB   LYS  12          1HB       LYS  12   5.179   6.396  -3.653
   89   2HB   LYS  12          2HB       LYS  12   5.100   4.918  -4.602
   90   1HG   LYS  12          1HG       LYS  12   3.142   4.200  -3.350
   91   2HG   LYS  12          2HG       LYS  12   3.232   5.658  -2.357
   92   1HD   LYS  12          1HD       LYS  12   2.865   7.039  -4.329
   93   2HD   LYS  12          2HD       LYS  12   2.826   5.598  -5.346
   94   1HE   LYS  12          1HE       LYS  12   0.846   4.806  -4.189
   95   2HE   LYS  12          2HE       LYS  12   0.904   6.190  -3.099
   96   1HZ   LYS  12          1HZ       LYS  12   0.547   7.647  -4.999
   97   2HZ   LYS  12          2HZ       LYS  12  -0.713   6.526  -4.853
   98   3HZ   LYS  12          3HZ       LYS  12   0.477   6.311  -6.035
   99    H    ARG  13           H        ARG  13   3.951   4.643  -0.862
  100    HA   ARG  13           HA       ARG  13   5.371   5.638   1.361
  101   1HB   ARG  13          1HB       ARG  13   4.426   7.881   1.524
  102   2HB   ARG  13          2HB       ARG  13   5.374   7.717   0.055
  103   1HG   ARG  13          1HG       ARG  13   3.069   7.147  -1.027
  104   2HG   ARG  13          2HG       ARG  13   2.428   7.985   0.387
  105   1HD   ARG  13          1HD       ARG  13   4.364   9.087  -1.643
  106   2HD   ARG  13          2HD       ARG  13   2.671   9.539  -1.448
  107    HE   ARG  13           HE       ARG  13   3.948   9.998   0.983
  108   1HH1  ARG  13          1HH1      ARG  13   4.047  11.188  -2.291
  109   2HH1  ARG  13          2HH1      ARG  13   4.568  12.775  -1.835
  110   1HH2  ARG  13          1HH2      ARG  13   4.631  12.089   1.592
  111   2HH2  ARG  13          2HH2      ARG  13   4.899  13.287   0.371
  112    H    GLY  14           H        GLY  14   4.274   5.150   3.169
  113   1HA   GLY  14          1HA       GLY  14   2.490   4.732   4.580
  114   2HA   GLY  14          2HA       GLY  14   1.403   5.256   3.304
  115    H    GLU  15           H        GLU  15   3.360   2.537   4.439
  116    HA   GLU  15           HA       GLU  15   1.823   0.710   2.750
  117   1HB   GLU  15          1HB       GLU  15   4.134   0.060   4.581
  118   2HB   GLU  15          2HB       GLU  15   3.460  -0.964   3.321
  119   1HG   GLU  15          1HG       GLU  15   4.144   0.852   1.693
  120   2HG   GLU  15          2HG       GLU  15   5.066   1.543   3.025
  121    H    ARG  16           H        ARG  16   0.355  -0.714   3.523
  122    HA   ARG  16           HA       ARG  16   0.111  -1.107   6.407
  123   1HB   ARG  16          1HB       ARG  16  -2.109  -0.064   4.644
  124   2HB   ARG  16          2HB       ARG  16  -2.357  -0.691   6.267
  125   1HG   ARG  16          1HG       ARG  16  -0.423   1.538   5.802
  126   2HG   ARG  16          2HG       ARG  16  -2.155   1.862   5.887
  127   1HD   ARG  16          1HD       ARG  16  -1.218   2.179   8.069
  128   2HD   ARG  16          2HD       ARG  16  -2.202   0.717   8.093
  129    HE   ARG  16           HE       ARG  16   0.378  -0.100   7.545
  130   1HH1  ARG  16          1HH1      ARG  16  -1.266   1.577  10.121
  131   2HH1  ARG  16          2HH1      ARG  16  -0.198   0.997  11.354
  132   1HH2  ARG  16          1HH2      ARG  16   1.788  -0.869   9.164
  133   2HH2  ARG  16          2HH2      ARG  16   1.539  -0.394  10.809
  134    H    VAL  17           H        VAL  17  -1.551  -2.792   6.927
  135    HA   VAL  17           HA       VAL  17  -1.845  -4.762   4.762
  136    HB   VAL  17           HB       VAL  17  -1.192  -5.571   7.592
  137   1HG1  VAL  17          1HG1      VAL  17  -2.268  -7.261   6.214
  138   2HG1  VAL  17          2HG1      VAL  17  -0.589  -7.698   6.530
  139   3HG1  VAL  17          3HG1      VAL  17  -1.049  -7.038   4.960
  140   1HG2  VAL  17          1HG2      VAL  17   1.116  -5.947   6.869
  141   2HG2  VAL  17          2HG2      VAL  17   0.678  -4.242   6.759
  142   3HG2  VAL  17          3HG2      VAL  17   0.743  -5.232   5.301
  143    H    ARG  18           H        ARG  18  -3.875  -3.079   5.357
  144    HA   ARG  18           HA       ARG  18  -5.643  -4.359   7.280
  145   1HB   ARG  18          1HB       ARG  18  -5.501  -1.867   7.068
  146   2HB   ARG  18          2HB       ARG  18  -6.207  -2.009   5.465
  147   1HG   ARG  18          1HG       ARG  18  -8.228  -2.971   6.423
  148   2HG   ARG  18          2HG       ARG  18  -7.519  -2.871   8.035
  149   1HD   ARG  18          1HD       ARG  18  -8.042  -0.520   6.219
  150   2HD   ARG  18          2HD       ARG  18  -9.082  -1.021   7.552
  151    HE   ARG  18           HE       ARG  18  -6.332  -0.486   8.270
  152   1HH1  ARG  18          1HH1      ARG  18  -9.558   0.790   7.947
  153   2HH1  ARG  18          2HH1      ARG  18  -9.293   2.093   9.056
  154   1HH2  ARG  18          1HH2      ARG  18  -5.973   1.227   9.732
  155   2HH2  ARG  18          2HH2      ARG  18  -7.254   2.342  10.071
  156    H    GLY  19           H        GLY  19  -5.123  -4.137   3.859
  157   1HA   GLY  19          1HA       GLY  19  -7.196  -6.173   3.446
  158   2HA   GLY  19          2HA       GLY  19  -7.239  -4.717   2.460
  159    H    THR  20           H        THR  20  -5.218  -7.479   3.344
  160    HA   THR  20           HA       THR  20  -3.097  -7.230   1.661
  161    HB   THR  20           HB       THR  20  -2.942  -9.672   1.582
  162    HG1  THR  20           1HG      THR  20  -5.643  -9.468   2.041
  163   1HG2  THR  20          1HG2      THR  20  -2.937 -10.101   3.997
  164   2HG2  THR  20          2HG2      THR  20  -3.892  -8.642   4.257
  165   3HG2  THR  20          3HG2      THR  20  -2.250  -8.521   3.625
  166    H    CYS  21           H        CYS  21  -2.672  -7.372  -0.446
  167    HA   CYS  21           HA       CYS  21  -4.916  -7.495  -2.282
  168   1HB   CYS  21          1HB       CYS  21  -3.282  -5.697  -2.524
  169   2HB   CYS  21          2HB       CYS  21  -1.992  -6.875  -2.735
  170    H    GLY  22           H        GLY  22  -2.374  -9.520  -1.170
  171   1HA   GLY  22          1HA       GLY  22  -3.343 -11.723  -2.730
  172   2HA   GLY  22          2HA       GLY  22  -1.774 -11.160  -3.284
  173    H    ILE  23           H        ILE  23  -0.805 -13.137  -2.711
  174    HA   ILE  23           HA       ILE  23  -0.909 -14.095  -0.003
  175    HB   ILE  23           HB       ILE  23   0.955 -14.900  -2.243
  176   1HG1  ILE  23          1HG1      ILE  23  -1.594 -16.225  -1.288
  177   2HG1  ILE  23          2HG1      ILE  23  -1.470 -15.230  -2.736
  178   1HG2  ILE  23          1HG2      ILE  23   1.823 -15.497  -0.048
  179   2HG2  ILE  23          2HG2      ILE  23   1.300 -16.937  -0.921
  180   3HG2  ILE  23          3HG2      ILE  23   0.292 -16.271   0.362
  181   1HD1  ILE  23          1HD1      ILE  23  -1.414 -17.574  -3.307
  182   2HD1  ILE  23          2HD1      ILE  23  -0.040 -17.828  -2.232
  183   3HD1  ILE  23          3HD1      ILE  23   0.141 -16.825  -3.671
  184    H    ARG  24           H        ARG  24   1.595 -12.586  -2.036
  185    HA   ARG  24           HA       ARG  24   3.089 -11.946   0.418
  186   1HB   ARG  24          1HB       ARG  24   5.072 -11.719  -1.084
  187   2HB   ARG  24          2HB       ARG  24   4.405 -13.345  -1.019
  188   1HG   ARG  24          1HG       ARG  24   3.245 -12.933  -3.147
  189   2HG   ARG  24          2HG       ARG  24   3.984 -11.332  -3.218
  190   1HD   ARG  24          1HD       ARG  24   6.188 -12.306  -3.315
  191   2HD   ARG  24          2HD       ARG  24   5.521 -13.922  -3.085
  192    HE   ARG  24           HE       ARG  24   4.611 -12.447  -5.423
  193   1HH1  ARG  24          1HH1      ARG  24   6.725 -14.877  -4.095
  194   2HH1  ARG  24          2HH1      ARG  24   7.026 -15.634  -5.622
  195   1HH2  ARG  24          1HH2      ARG  24   5.002 -13.437  -7.439
  196   2HH2  ARG  24          2HH2      ARG  24   6.048 -14.815  -7.525
  197    H    PHE  25           H        PHE  25   0.989 -10.592  -1.638
  198    HA   PHE  25           HA       PHE  25   2.306  -8.070  -2.118
  199   1HB   PHE  25          1HB       PHE  25  -0.582  -8.901  -2.478
  200   2HB   PHE  25          2HB       PHE  25   0.108  -7.377  -3.026
  201    HD1  PHE  25           1HD      PHE  25   0.218 -11.040  -3.489
  202    HD2  PHE  25           2HD      PHE  25   1.274  -7.230  -5.064
  203    HE1  PHE  25           1HE      PHE  25   0.847 -12.099  -5.618
  204    HE2  PHE  25           2HE      PHE  25   1.904  -8.283  -7.197
  205    HZ   PHE  25           HZ       PHE  25   1.691 -10.721  -7.476
  206    H    LEU  26           H        LEU  26   0.710  -6.085  -1.548
  207    HA   LEU  26           HA       LEU  26  -0.453  -6.284   1.080
  208   1HB   LEU  26          1HB       LEU  26   0.984  -4.720   2.190
  209   2HB   LEU  26          2HB       LEU  26   1.956  -6.044   1.582
  210    HG   LEU  26           HG       LEU  26   1.708  -3.423   0.121
  211   1HD1  LEU  26          1HD1      LEU  26   2.588  -2.962   2.337
  212   2HD1  LEU  26          2HD1      LEU  26   3.858  -2.810   1.125
  213   3HD1  LEU  26          3HD1      LEU  26   3.783  -4.244   2.148
  214   1HD2  LEU  26          1HD2      LEU  26   3.659  -5.716  -0.017
  215   2HD2  LEU  26          2HD2      LEU  26   3.870  -4.177  -0.851
  216   3HD2  LEU  26          3HD2      LEU  26   2.508  -5.220  -1.257
  217    H    TYR  27           H        TYR  27  -1.050  -3.965   1.862
  218    HA   TYR  27           HA       TYR  27  -2.096  -2.536  -0.491
  219   1HB   TYR  27          1HB       TYR  27  -3.518  -3.737   1.549
  220   2HB   TYR  27          2HB       TYR  27  -3.492  -2.042   2.025
  221    HD1  TYR  27           1HD      TYR  27  -5.321  -0.820   1.343
  222    HD2  TYR  27           2HD      TYR  27  -3.932  -3.988  -1.132
  223    HE1  TYR  27           1HE      TYR  27  -7.117  -0.342  -0.264
  224    HE2  TYR  27           2HE      TYR  27  -5.725  -3.517  -2.749
  225    HH   TYR  27           HH       TYR  27  -7.586  -0.691  -2.665
  226    H    CYS  28           H        CYS  28  -1.383  -0.547  -0.791
  227    HA   CYS  28           HA       CYS  28  -0.366   0.947   1.537
  228   1HB   CYS  28          1HB       CYS  28   0.785   0.880  -1.259
  229   2HB   CYS  28          2HB       CYS  28   1.319   1.969   0.018
  230    H    CYS  29           H        CYS  29  -1.267   2.865   1.860
  231    HA   CYS  29           HA       CYS  29  -2.867   4.026  -0.322
  232   1HB   CYS  29          1HB       CYS  29  -3.866   3.147   1.994
  233   2HB   CYS  29          2HB       CYS  29  -3.406   4.767   2.508
  234    HA   PRO  30           HA       PRO  30   0.092   7.394   0.094
  235   1HB   PRO  30          1HB       PRO  30  -0.879   8.948  -1.891
  236   2HB   PRO  30          2HB       PRO  30   0.075   7.496  -2.210
  237   1HG   PRO  30          1HG       PRO  30  -2.895   7.868  -2.294
  238   2HG   PRO  30          2HG       PRO  30  -1.844   6.997  -3.426
  239   1HD   PRO  30          1HD       PRO  30  -3.308   5.749  -1.503
  240   2HD   PRO  30          2HD       PRO  30  -1.760   5.121  -2.100
  241    H    ARG  31           H        ARG  31  -0.089   8.803   1.720
  242    HA   ARG  31           HA       ARG  31  -2.648   9.935   2.437
  243   1HB   ARG  31          1HB       ARG  31   0.090  10.379   3.639
  244   2HB   ARG  31          2HB       ARG  31  -1.430  10.930   4.329
  245   1HG   ARG  31          1HG       ARG  31  -2.155   8.596   4.561
  246   2HG   ARG  31          2HG       ARG  31  -0.601   8.065   3.911
  247   1HD   ARG  31          1HD       ARG  31   0.555   9.129   5.772
  248   2HD   ARG  31          2HD       ARG  31  -0.981   9.711   6.410
  249    HE   ARG  31           HE       ARG  31  -1.144   6.935   6.169
  250   1HH1  ARG  31          1HH1      ARG  31   0.619   9.321   7.996
  251   2HH1  ARG  31          2HH1      ARG  31   0.822   8.300   9.380
  252   1HH2  ARG  31          1HH2      ARG  31  -0.877   5.582   7.989
  253   2HH2  ARG  31          2HH2      ARG  31  -0.027   6.176   9.376
  254    H    ARG  32           H        ARG  32  -0.195  10.782   0.321
  255    HA   ARG  32           HA       ARG  32  -1.128  13.571   0.293
  256   1HB   ARG  32          1HB       ARG  32   1.722  12.651  -0.131
  257   2HB   ARG  32          2HB       ARG  32   1.147  14.303  -0.305
  258   1HG   ARG  32          1HG       ARG  32   1.034  12.725   2.257
  259   2HG   ARG  32          2HG       ARG  32   2.313  13.863   1.833
  260   1HD   ARG  32          1HD       ARG  32  -0.614  14.559   2.038
  261   2HD   ARG  32          2HD       ARG  32   0.577  14.838   3.308
  262    HE   ARG  32           HE       ARG  32   1.549  16.054   1.016
  263   1HH1  ARG  32          1HH1      ARG  32  -1.218  16.361   3.115
  264   2HH1  ARG  32          2HH1      ARG  32  -1.400  18.060   2.835
  265   1HH2  ARG  32          1HH2      ARG  32   1.316  18.289   0.645
  266   2HH2  ARG  32          2HH2      ARG  32   0.038  19.156   1.431
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  -4.223   9.696  -6.149
    2   2H    GLY   1          2H        GLY   1  -4.426   9.172  -7.745
    3   3H    GLY   1          3H        GLY   1  -4.806   8.138  -6.462
    4   1HA   GLY   1          1HA       GLY   1  -6.210  10.666  -7.139
    5   2HA   GLY   1          2HA       GLY   1  -6.816   9.045  -7.442
    6    H    LEU   2           H        LEU   2  -8.561   8.939  -6.144
    7    HA   LEU   2           HA       LEU   2  -8.217   9.660  -3.313
    8   1HB   LEU   2          1HB       LEU   2 -10.782   9.236  -4.848
    9   2HB   LEU   2          2HB       LEU   2 -10.642   9.803  -3.195
   10    HG   LEU   2           HG       LEU   2  -9.684  11.291  -5.643
   11   1HD1  LEU   2          1HD1      LEU   2 -11.512  12.843  -5.122
   12   2HD1  LEU   2          2HD1      LEU   2 -12.048  11.765  -3.832
   13   3HD1  LEU   2          3HD1      LEU   2 -12.107  11.229  -5.512
   14   1HD2  LEU   2          1HD2      LEU   2  -9.307  13.152  -4.099
   15   2HD2  LEU   2          2HD2      LEU   2  -8.303  11.760  -3.689
   16   3HD2  LEU   2          3HD2      LEU   2  -9.748  12.116  -2.741
   17    H    LEU   3           H        LEU   3  -7.451   7.125  -4.765
   18    HA   LEU   3           HA       LEU   3  -8.753   5.286  -2.884
   19   1HB   LEU   3          1HB       LEU   3  -8.269   4.699  -5.808
   20   2HB   LEU   3          2HB       LEU   3  -8.893   3.564  -4.626
   21    HG   LEU   3           HG       LEU   3 -10.301   6.109  -5.431
   22   1HD1  LEU   3          1HD1      LEU   3 -10.122   4.545  -7.312
   23   2HD1  LEU   3          2HD1      LEU   3 -11.782   4.699  -6.736
   24   3HD1  LEU   3          3HD1      LEU   3 -10.832   3.275  -6.313
   25   1HD2  LEU   3          1HD2      LEU   3 -11.228   3.710  -3.855
   26   2HD2  LEU   3          2HD2      LEU   3 -12.221   5.095  -4.312
   27   3HD2  LEU   3          3HD2      LEU   3 -10.871   5.307  -3.197
   28    H    CYS   4           H        CYS   4  -7.505   3.349  -2.450
   29    HA   CYS   4           HA       CYS   4  -4.658   3.910  -2.475
   30   1HB   CYS   4          1HB       CYS   4  -6.056   1.517  -1.273
   31   2HB   CYS   4          2HB       CYS   4  -4.440   2.108  -0.907
   32    H    TYR   5           H        TYR   5  -3.123   2.130  -2.972
   33    HA   TYR   5           HA       TYR   5  -4.074   0.320  -5.079
   34   1HB   TYR   5          1HB       TYR   5  -1.520   1.923  -5.308
   35   2HB   TYR   5          2HB       TYR   5  -2.231   0.868  -6.525
   36    HD1  TYR   5           1HD      TYR   5  -4.558   1.543  -7.431
   37    HD2  TYR   5           2HD      TYR   5  -1.982   4.201  -5.335
   38    HE1  TYR   5           1HE      TYR   5  -5.760   3.458  -8.397
   39    HE2  TYR   5           2HE      TYR   5  -3.178   6.125  -6.292
   40    HH   TYR   5           HH       TYR   5  -4.579   6.642  -8.233
   41    H    CYS   6           H        CYS   6  -3.366  -1.710  -4.791
   42    HA   CYS   6           HA       CYS   6  -1.439  -2.201  -2.679
   43   1HB   CYS   6          1HB       CYS   6  -2.045  -4.549  -2.913
   44   2HB   CYS   6          2HB       CYS   6  -3.484  -3.550  -2.766
   45    H    ARG   7           H        ARG   7   0.633  -2.586  -2.982
   46    HA   ARG   7           HA       ARG   7   1.556  -3.208  -5.712
   47   1HB   ARG   7          1HB       ARG   7   2.949  -1.684  -3.505
   48   2HB   ARG   7          2HB       ARG   7   3.695  -2.119  -5.038
   49   1HG   ARG   7          1HG       ARG   7   1.938  -0.793  -6.194
   50   2HG   ARG   7          2HG       ARG   7   1.359  -0.268  -4.611
   51   1HD   ARG   7          1HD       ARG   7   3.675   0.589  -4.161
   52   2HD   ARG   7          2HD       ARG   7   4.058   0.247  -5.846
   53    HE   ARG   7           HE       ARG   7   1.798   2.006  -5.262
   54   1HH1  ARG   7          1HH1      ARG   7   5.061   1.600  -6.417
   55   2HH1  ARG   7          2HH1      ARG   7   5.118   3.154  -7.182
   56   1HH2  ARG   7          1HH2      ARG   7   1.866   4.050  -6.267
   57   2HH2  ARG   7          2HH2      ARG   7   3.305   4.546  -7.095
   58    H    LYS   8           H        LYS   8   4.015  -4.052  -5.436
   59    HA   LYS   8           HA       LYS   8   3.817  -6.392  -3.659
   60   1HB   LYS   8          1HB       LYS   8   3.836  -6.965  -6.039
   61   2HB   LYS   8          2HB       LYS   8   5.335  -6.071  -6.256
   62   1HG   LYS   8          1HG       LYS   8   6.424  -7.643  -4.659
   63   2HG   LYS   8          2HG       LYS   8   4.933  -8.586  -4.652
   64   1HD   LYS   8          1HD       LYS   8   6.545  -7.950  -7.122
   65   2HD   LYS   8          2HD       LYS   8   6.662  -9.457  -6.212
   66   1HE   LYS   8          1HE       LYS   8   4.289  -9.893  -6.644
   67   2HE   LYS   8          2HE       LYS   8   4.182  -8.389  -7.559
   68   1HZ   LYS   8          1HZ       LYS   8   4.447 -10.307  -9.009
   69   2HZ   LYS   8          2HZ       LYS   8   5.906 -10.707  -8.253
   70   3HZ   LYS   8          3HZ       LYS   8   5.778  -9.270  -9.136
   71    H    GLY   9           H        GLY   9   5.290  -6.650  -2.105
   72   1HA   GLY   9          1HA       GLY   9   7.337  -6.518  -1.014
   73   2HA   GLY   9          2HA       GLY   9   7.965  -5.584  -2.362
   74    H    HIS  10           H        HIS  10   8.004  -3.388  -2.245
   75    HA   HIS  10           HA       HIS  10   6.838  -2.166   0.160
   76   1HB   HIS  10          1HB       HIS  10   8.847  -0.566   0.021
   77   2HB   HIS  10          2HB       HIS  10   9.130  -2.187   0.652
   78    HD1  HIS  10           1HD      HIS  10   9.957  -3.933  -1.338
   79    HD2  HIS  10           2HD      HIS  10  10.626   0.128  -1.893
   80    HE1  HIS  10           1HE      HIS  10  11.739  -3.783  -3.091
   81    HE2  HIS  10           2HE      HIS  10  12.058  -1.316  -3.492
   82    H    CYS  11           H        CYS  11   6.104  -0.025  -0.027
   83    HA   CYS  11           HA       CYS  11   5.608   0.816  -2.802
   84   1HB   CYS  11          1HB       CYS  11   3.616   0.284  -1.399
   85   2HB   CYS  11          2HB       CYS  11   4.076   1.587  -0.311
   86    H    LYS  12           H        LYS  12   5.225   3.285  -2.953
   87    HA   LYS  12           HA       LYS  12   7.659   4.553  -2.139
   88   1HB   LYS  12          1HB       LYS  12   6.760   6.525  -3.327
   89   2HB   LYS  12          2HB       LYS  12   6.718   5.066  -4.307
   90   1HG   LYS  12          1HG       LYS  12   4.328   4.809  -3.779
   91   2HG   LYS  12          2HG       LYS  12   4.391   6.314  -2.860
   92   1HD   LYS  12          1HD       LYS  12   5.066   7.515  -4.891
   93   2HD   LYS  12          2HD       LYS  12   4.982   6.008  -5.805
   94   1HE   LYS  12          1HE       LYS  12   2.588   5.833  -5.242
   95   2HE   LYS  12          2HE       LYS  12   2.691   7.378  -4.397
   96   1HZ   LYS  12          1HZ       LYS  12   1.819   7.672  -6.617
   97   2HZ   LYS  12          2HZ       LYS  12   3.184   6.938  -7.293
   98   3HZ   LYS  12          3HZ       LYS  12   3.332   8.421  -6.494
   99    H    ARG  13           H        ARG  13   4.309   4.672  -1.085
  100    HA   ARG  13           HA       ARG  13   5.020   5.724   1.444
  101   1HB   ARG  13          1HB       ARG  13   3.972   7.912   1.308
  102   2HB   ARG  13          2HB       ARG  13   5.272   7.792   0.136
  103   1HG   ARG  13          1HG       ARG  13   3.518   7.242  -1.585
  104   2HG   ARG  13          2HG       ARG  13   2.313   7.686  -0.376
  105   1HD   ARG  13          1HD       ARG  13   4.527   9.493  -1.335
  106   2HD   ARG  13          2HD       ARG  13   2.878   9.519  -1.956
  107    HE   ARG  13           HE       ARG  13   3.213   9.896   0.912
  108   1HH1  ARG  13          1HH1      ARG  13   2.666  11.312  -2.225
  109   2HH1  ARG  13          2HH1      ARG  13   2.067  12.807  -1.590
  110   1HH2  ARG  13          1HH2      ARG  13   2.426  11.867   1.757
  111   2HH2  ARG  13          2HH2      ARG  13   1.930  13.123   0.672
  112    H    GLY  14           H        GLY  14   3.537   5.060   2.867
  113   1HA   GLY  14          1HA       GLY  14   1.268   4.910   3.637
  114   2HA   GLY  14          2HA       GLY  14   0.753   4.751   1.966
  115    H    GLU  15           H        GLU  15   3.493   2.943   3.078
  116    HA   GLU  15           HA       GLU  15   2.390   0.470   2.313
  117   1HB   GLU  15          1HB       GLU  15   4.770   1.138   4.047
  118   2HB   GLU  15          2HB       GLU  15   4.370  -0.495   3.536
  119   1HG   GLU  15          1HG       GLU  15   4.771  -0.004   1.280
  120   2HG   GLU  15          2HG       GLU  15   4.810   1.733   1.579
  121    H    ARG  16           H        ARG  16   0.640  -0.346   3.285
  122    HA   ARG  16           HA       ARG  16   0.785  -0.868   6.155
  123   1HB   ARG  16          1HB       ARG  16  -1.603   0.416   4.815
  124   2HB   ARG  16          2HB       ARG  16  -1.561  -0.159   6.476
  125   1HG   ARG  16          1HG       ARG  16   0.291   1.461   6.906
  126   2HG   ARG  16          2HG       ARG  16   0.016   2.111   5.290
  127   1HD   ARG  16          1HD       ARG  16  -2.038   1.979   7.494
  128   2HD   ARG  16          2HD       ARG  16  -1.125   3.416   7.037
  129    HE   ARG  16           HE       ARG  16  -2.592   2.240   4.863
  130   1HH1  ARG  16          1HH1      ARG  16  -2.741   4.443   7.560
  131   2HH1  ARG  16          2HH1      ARG  16  -4.062   5.354   6.909
  132   1HH2  ARG  16          1HH2      ARG  16  -4.331   3.437   3.999
  133   2HH2  ARG  16          2HH2      ARG  16  -4.966   4.782   4.886
  134    H    VAL  17           H        VAL  17  -1.072  -2.357   6.831
  135    HA   VAL  17           HA       VAL  17  -1.820  -4.170   4.651
  136    HB   VAL  17           HB       VAL  17   0.205  -5.027   5.823
  137   1HG1  VAL  17          1HG1      VAL  17  -0.009  -5.938   8.079
  138   2HG1  VAL  17          2HG1      VAL  17  -1.641  -5.283   8.190
  139   3HG1  VAL  17          3HG1      VAL  17  -0.262  -4.193   8.056
  140   1HG2  VAL  17          1HG2      VAL  17  -1.356  -6.536   4.673
  141   2HG2  VAL  17          2HG2      VAL  17  -2.249  -6.743   6.180
  142   3HG2  VAL  17          3HG2      VAL  17  -0.584  -7.307   6.059
  143    H    ARG  18           H        ARG  18  -3.478  -2.264   5.750
  144    HA   ARG  18           HA       ARG  18  -5.128  -3.428   7.806
  145   1HB   ARG  18          1HB       ARG  18  -4.845  -0.971   7.555
  146   2HB   ARG  18          2HB       ARG  18  -5.687  -1.054   6.014
  147   1HG   ARG  18          1HG       ARG  18  -7.696  -1.855   7.155
  148   2HG   ARG  18          2HG       ARG  18  -6.849  -1.767   8.701
  149   1HD   ARG  18          1HD       ARG  18  -8.246   0.195   8.386
  150   2HD   ARG  18          2HD       ARG  18  -6.542   0.646   8.381
  151    HE   ARG  18           HE       ARG  18  -7.543   0.174   5.750
  152   1HH1  ARG  18          1HH1      ARG  18  -7.395   2.529   8.317
  153   2HH1  ARG  18          2HH1      ARG  18  -7.574   3.886   7.255
  154   1HH2  ARG  18          1HH2      ARG  18  -7.782   1.954   4.348
  155   2HH2  ARG  18          2HH2      ARG  18  -7.796   3.558   5.001
  156    H    GLY  19           H        GLY  19  -4.922  -3.544   4.397
  157   1HA   GLY  19          1HA       GLY  19  -7.202  -5.356   4.293
  158   2HA   GLY  19          2HA       GLY  19  -7.311  -3.911   3.296
  159    H    THR  20           H        THR  20  -5.467  -6.847   3.884
  160    HA   THR  20           HA       THR  20  -3.508  -6.754   2.002
  161    HB   THR  20           HB       THR  20  -3.633  -9.196   1.830
  162    HG1  THR  20           1HG      THR  20  -5.402 -10.285   2.405
  163   1HG2  THR  20          1HG2      THR  20  -3.455  -9.718   4.231
  164   2HG2  THR  20          2HG2      THR  20  -4.168  -8.150   4.612
  165   3HG2  THR  20          3HG2      THR  20  -2.599  -8.234   3.812
  166    H    CYS  21           H        CYS  21  -3.261  -7.447  -0.138
  167    HA   CYS  21           HA       CYS  21  -5.713  -7.271  -1.766
  168   1HB   CYS  21          1HB       CYS  21  -4.144  -5.348  -1.967
  169   2HB   CYS  21          2HB       CYS  21  -2.903  -6.457  -2.532
  170    H    GLY  22           H        GLY  22  -3.006  -9.154  -0.910
  171   1HA   GLY  22          1HA       GLY  22  -3.871 -11.349  -2.516
  172   2HA   GLY  22          2HA       GLY  22  -2.403 -10.628  -3.158
  173    H    ILE  23           H        ILE  23  -1.084 -12.377  -2.741
  174    HA   ILE  23           HA       ILE  23  -0.932 -13.461  -0.053
  175    HB   ILE  23           HB       ILE  23   0.740 -14.121  -2.481
  176   1HG1  ILE  23          1HG1      ILE  23  -1.635 -14.624  -2.847
  177   2HG1  ILE  23          2HG1      ILE  23  -0.696 -16.104  -2.694
  178   1HG2  ILE  23          1HG2      ILE  23   1.309 -16.168  -1.243
  179   2HG2  ILE  23          2HG2      ILE  23   0.420 -15.556   0.152
  180   3HG2  ILE  23          3HG2      ILE  23   1.860 -14.711  -0.416
  181   1HD1  ILE  23          1HD1      ILE  23  -2.416 -14.867  -0.558
  182   2HD1  ILE  23          2HD1      ILE  23  -1.459 -16.337  -0.381
  183   3HD1  ILE  23          3HD1      ILE  23  -2.803 -16.292  -1.521
  184    H    ARG  24           H        ARG  24   1.603 -12.331  -2.298
  185    HA   ARG  24           HA       ARG  24   3.158 -11.416   0.002
  186   1HB   ARG  24          1HB       ARG  24   5.015 -11.203  -1.613
  187   2HB   ARG  24          2HB       ARG  24   4.336 -12.825  -1.581
  188   1HG   ARG  24          1HG       ARG  24   3.114 -12.388  -3.624
  189   2HG   ARG  24          2HG       ARG  24   3.700 -10.724  -3.642
  190   1HD   ARG  24          1HD       ARG  24   5.414 -13.198  -3.825
  191   2HD   ARG  24          2HD       ARG  24   4.968 -12.156  -5.174
  192    HE   ARG  24           HE       ARG  24   6.215 -10.365  -3.963
  193   1HH1  ARG  24          1HH1      ARG  24   6.938 -13.729  -3.399
  194   2HH1  ARG  24          2HH1      ARG  24   8.574 -13.427  -2.914
  195   1HH2  ARG  24          1HH2      ARG  24   8.367  -9.963  -3.327
  196   2HH2  ARG  24          2HH2      ARG  24   9.384 -11.289  -2.870
  197    H    PHE  25           H        PHE  25   0.801 -10.108  -1.676
  198    HA   PHE  25           HA       PHE  25   2.067  -7.543  -2.260
  199   1HB   PHE  25          1HB       PHE  25  -0.805  -8.405  -2.662
  200   2HB   PHE  25          2HB       PHE  25  -0.069  -6.925  -3.267
  201    HD1  PHE  25           1HD      PHE  25  -0.236 -10.571  -3.641
  202    HD2  PHE  25           2HD      PHE  25   1.326  -6.936  -5.210
  203    HE1  PHE  25           1HE      PHE  25   0.404 -11.743  -5.708
  204    HE2  PHE  25           2HE      PHE  25   1.968  -8.101  -7.280
  205    HZ   PHE  25           HZ       PHE  25   1.507 -10.508  -7.531
  206    H    LEU  26           H        LEU  26   1.235  -5.565  -1.393
  207    HA   LEU  26           HA       LEU  26  -0.291  -5.846   1.098
  208   1HB   LEU  26          1HB       LEU  26   1.181  -4.539   2.354
  209   2HB   LEU  26          2HB       LEU  26   2.226  -5.630   1.469
  210    HG   LEU  26           HG       LEU  26   1.684  -2.776   0.645
  211   1HD1  LEU  26          1HD1      LEU  26   2.834  -2.875   2.804
  212   2HD1  LEU  26          2HD1      LEU  26   3.888  -2.265   1.529
  213   3HD1  LEU  26          3HD1      LEU  26   4.062  -3.926   2.098
  214   1HD2  LEU  26          1HD2      LEU  26   3.808  -3.189  -0.672
  215   2HD2  LEU  26          2HD2      LEU  26   2.358  -4.009  -1.251
  216   3HD2  LEU  26          3HD2      LEU  26   3.571  -4.904  -0.334
  217    H    TYR  27           H        TYR  27  -1.138  -3.729   1.884
  218    HA   TYR  27           HA       TYR  27  -2.210  -2.305  -0.422
  219   1HB   TYR  27          1HB       TYR  27  -3.380  -3.253   1.891
  220   2HB   TYR  27          2HB       TYR  27  -3.253  -1.523   2.188
  221    HD1  TYR  27           1HD      TYR  27  -4.094  -3.703  -0.721
  222    HD2  TYR  27           2HD      TYR  27  -5.165  -0.346   1.662
  223    HE1  TYR  27           1HE      TYR  27  -6.069  -3.331  -2.142
  224    HE2  TYR  27           2HE      TYR  27  -7.144   0.035   0.249
  225    HH   TYR  27           HH       TYR  27  -7.873  -0.491  -2.079
  226    H    CYS  28           H        CYS  28  -1.531  -0.389  -1.012
  227    HA   CYS  28           HA       CYS  28  -0.097   1.271   0.953
  228   1HB   CYS  28          1HB       CYS  28   1.540   0.513  -0.584
  229   2HB   CYS  28          2HB       CYS  28   0.482   0.783  -1.964
  230    H    CYS  29           H        CYS  29  -1.408   2.899   1.496
  231    HA   CYS  29           HA       CYS  29  -3.182   4.051  -0.521
  232   1HB   CYS  29          1HB       CYS  29  -3.042   4.430   2.474
  233   2HB   CYS  29          2HB       CYS  29  -4.152   5.299   1.424
  234    HA   PRO  30           HA       PRO  30  -0.279   7.438  -0.899
  235   1HB   PRO  30          1HB       PRO  30  -1.526   8.804  -2.835
  236   2HB   PRO  30          2HB       PRO  30  -0.740   7.254  -3.160
  237   1HG   PRO  30          1HG       PRO  30  -3.639   7.863  -2.762
  238   2HG   PRO  30          2HG       PRO  30  -2.873   6.764  -3.923
  239   1HD   PRO  30          1HD       PRO  30  -4.030   5.974  -1.544
  240   2HD   PRO  30          2HD       PRO  30  -2.794   5.050  -2.418
  241    H    ARG  31           H        ARG  31  -1.980   7.586   1.331
  242    HA   ARG  31           HA       ARG  31  -3.039  10.328   1.206
  243   1HB   ARG  31          1HB       ARG  31  -3.620   8.136   3.207
  244   2HB   ARG  31          2HB       ARG  31  -4.332   9.742   3.218
  245   1HG   ARG  31          1HG       ARG  31  -5.376   9.285   1.047
  246   2HG   ARG  31          2HG       ARG  31  -4.677   7.664   1.065
  247   1HD   ARG  31          1HD       ARG  31  -6.964   7.539   1.797
  248   2HD   ARG  31          2HD       ARG  31  -5.904   7.207   3.166
  249    HE   ARG  31           HE       ARG  31  -6.650   9.961   3.012
  250   1HH1  ARG  31          1HH1      ARG  31  -7.709   6.810   4.062
  251   2HH1  ARG  31          2HH1      ARG  31  -8.791   7.434   5.262
  252   1HH2  ARG  31          1HH2      ARG  31  -8.071  10.788   4.590
  253   2HH2  ARG  31          2HH2      ARG  31  -8.998   9.693   5.561
  254    H    ARG  32           H        ARG  32  -0.692   8.267   2.694
  255    HA   ARG  32           HA       ARG  32   0.262  10.550   4.287
  256   1HB   ARG  32          1HB       ARG  32   1.143   8.809   5.914
  257   2HB   ARG  32          2HB       ARG  32  -0.597   9.056   5.902
  258   1HG   ARG  32          1HG       ARG  32  -0.883   7.052   4.542
  259   2HG   ARG  32          2HG       ARG  32   0.865   6.809   4.527
  260   1HD   ARG  32          1HD       ARG  32  -0.864   6.854   6.997
  261   2HD   ARG  32          2HD       ARG  32  -0.283   5.396   6.195
  262    HE   ARG  32           HE       ARG  32   1.966   6.875   6.731
  263   1HH1  ARG  32          1HH1      ARG  32  -0.645   5.526   8.601
  264   2HH1  ARG  32          2HH1      ARG  32   0.320   5.294  10.021
  265   1HH2  ARG  32          1HH2      ARG  32   3.245   6.573   8.595
  266   2HH2  ARG  32          2HH2      ARG  32   2.530   5.890  10.017
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -10.050  13.270  -3.416
    2   2H    GLY   1          2H        GLY   1  -8.445  13.014  -3.886
    3   3H    GLY   1          3H        GLY   1  -8.946  12.599  -2.324
    4   1HA   GLY   1          1HA       GLY   1 -10.419  10.900  -3.213
    5   2HA   GLY   1          2HA       GLY   1  -9.895  11.330  -4.834
    6    H    LEU   2           H        LEU   2  -9.005   9.784  -1.838
    7    HA   LEU   2           HA       LEU   2  -6.338   9.141  -2.520
    8   1HB   LEU   2          1HB       LEU   2  -6.353   7.663  -0.660
    9   2HB   LEU   2          2HB       LEU   2  -7.301   9.069  -0.216
   10    HG   LEU   2           HG       LEU   2  -8.531   6.478  -1.155
   11   1HD1  LEU   2          1HD1      LEU   2  -7.282   6.055   0.882
   12   2HD1  LEU   2          2HD1      LEU   2  -9.016   6.042   1.211
   13   3HD1  LEU   2          3HD1      LEU   2  -8.044   7.444   1.660
   14   1HD2  LEU   2          1HD2      LEU   2  -9.670   8.887   0.260
   15   2HD2  LEU   2          2HD2      LEU   2 -10.550   7.400  -0.094
   16   3HD2  LEU   2          3HD2      LEU   2  -9.968   8.416  -1.414
   17    H    LEU   3           H        LEU   3  -5.442   7.382  -3.502
   18    HA   LEU   3           HA       LEU   3  -7.263   5.348  -4.590
   19   1HB   LEU   3          1HB       LEU   3  -5.051   6.706  -6.133
   20   2HB   LEU   3          2HB       LEU   3  -6.068   5.407  -6.726
   21    HG   LEU   3           HG       LEU   3  -7.077   8.147  -5.955
   22   1HD1  LEU   3          1HD1      LEU   3  -5.621   8.263  -7.907
   23   2HD1  LEU   3          2HD1      LEU   3  -7.305   8.534  -8.353
   24   3HD1  LEU   3          3HD1      LEU   3  -6.547   6.977  -8.683
   25   1HD2  LEU   3          1HD2      LEU   3  -8.416   5.834  -7.355
   26   2HD2  LEU   3          2HD2      LEU   3  -9.119   7.434  -7.111
   27   3HD2  LEU   3          3HD2      LEU   3  -8.760   6.406  -5.723
   28    H    CYS   4           H        CYS   4  -6.639   3.523  -3.614
   29    HA   CYS   4           HA       CYS   4  -3.899   3.094  -2.825
   30   1HB   CYS   4          1HB       CYS   4  -6.148   1.089  -2.705
   31   2HB   CYS   4          2HB       CYS   4  -4.688   1.137  -1.725
   32    H    TYR   5           H        TYR   5  -2.560   1.389  -3.534
   33    HA   TYR   5           HA       TYR   5  -3.331   0.096  -6.055
   34   1HB   TYR   5          1HB       TYR   5  -0.738   1.549  -5.506
   35   2HB   TYR   5          2HB       TYR   5  -0.995   0.485  -6.884
   36    HD1  TYR   5           1HD      TYR   5  -2.468   1.151  -8.713
   37    HD2  TYR   5           2HD      TYR   5  -1.751   3.745  -5.418
   38    HE1  TYR   5           1HE      TYR   5  -3.389   3.031 -10.001
   39    HE2  TYR   5           2HE      TYR   5  -2.672   5.633  -6.698
   40    HH   TYR   5           HH       TYR   5  -3.027   6.264  -9.051
   41    H    CYS   6           H        CYS   6  -2.323  -1.903  -6.472
   42    HA   CYS   6           HA       CYS   6  -1.519  -3.312  -4.073
   43   1HB   CYS   6          1HB       CYS   6  -1.914  -4.312  -6.901
   44   2HB   CYS   6          2HB       CYS   6  -1.629  -5.327  -5.492
   45    H    ARG   7           H        ARG   7   0.513  -3.540  -3.465
   46    HA   ARG   7           HA       ARG   7   2.615  -3.737  -5.502
   47   1HB   ARG   7          1HB       ARG   7   2.591  -1.888  -3.119
   48   2HB   ARG   7          2HB       ARG   7   4.074  -2.342  -3.947
   49   1HG   ARG   7          1HG       ARG   7   3.268  -1.348  -6.002
   50   2HG   ARG   7          2HG       ARG   7   1.725  -0.964  -5.235
   51   1HD   ARG   7          1HD       ARG   7   2.805   0.549  -3.707
   52   2HD   ARG   7          2HD       ARG   7   4.395   0.077  -4.300
   53    HE   ARG   7           HE       ARG   7   3.939   1.242  -6.326
   54   1HH1  ARG   7          1HH1      ARG   7   1.530   1.683  -3.844
   55   2HH1  ARG   7          2HH1      ARG   7   0.892   3.133  -4.543
   56   1HH2  ARG   7          1HH2      ARG   7   3.102   3.152  -7.250
   57   2HH2  ARG   7          2HH2      ARG   7   1.784   3.967  -6.477
   58    H    LYS   8           H        LYS   8   3.932  -5.412  -5.159
   59    HA   LYS   8           HA       LYS   8   3.648  -6.931  -2.697
   60   1HB   LYS   8          1HB       LYS   8   3.563  -8.107  -4.851
   61   2HB   LYS   8          2HB       LYS   8   5.189  -7.551  -5.223
   62   1HG   LYS   8          1HG       LYS   8   6.108  -8.857  -3.433
   63   2HG   LYS   8          2HG       LYS   8   4.495  -9.301  -2.873
   64   1HD   LYS   8          1HD       LYS   8   5.464 -11.137  -4.114
   65   2HD   LYS   8          2HD       LYS   8   4.104 -10.464  -5.016
   66   1HE   LYS   8          1HE       LYS   8   5.999 -10.947  -6.482
   67   2HE   LYS   8          2HE       LYS   8   5.646  -9.220  -6.434
   68   1HZ   LYS   8          1HZ       LYS   8   7.460  -8.939  -4.853
   69   2HZ   LYS   8          2HZ       LYS   8   8.015  -9.623  -6.296
   70   3HZ   LYS   8          3HZ       LYS   8   7.805 -10.594  -4.927
   71    H    GLY   9           H        GLY   9   5.140  -7.108  -1.131
   72   1HA   GLY   9          1HA       GLY   9   7.334  -7.120  -0.249
   73   2HA   GLY   9          2HA       GLY   9   7.873  -6.188  -1.636
   74    H    HIS  10           H        HIS  10   7.618  -3.944  -1.645
   75    HA   HIS  10           HA       HIS  10   6.544  -2.669   0.748
   76   1HB   HIS  10          1HB       HIS  10   9.401  -2.902   0.112
   77   2HB   HIS  10          2HB       HIS  10   8.874  -1.252   0.428
   78    HD1  HIS  10           1HD      HIS  10   9.272  -4.591   2.081
   79    HD2  HIS  10           2HD      HIS  10   8.193  -0.702   3.072
   80    HE1  HIS  10           1HE      HIS  10   9.249  -4.522   4.595
   81    HE2  HIS  10           2HE      HIS  10   8.675  -2.135   5.171
   82    H    CYS  11           H        CYS  11   5.823  -0.589   0.423
   83    HA   CYS  11           HA       CYS  11   5.822   0.312  -2.367
   84   1HB   CYS  11          1HB       CYS  11   3.608   0.043  -1.428
   85   2HB   CYS  11          2HB       CYS  11   4.029   1.049  -0.046
   86    H    LYS  12           H        LYS  12   6.008   2.629  -2.791
   87    HA   LYS  12           HA       LYS  12   7.800   3.951  -0.857
   88   1HB   LYS  12          1HB       LYS  12   8.855   5.060  -2.789
   89   2HB   LYS  12          2HB       LYS  12   8.992   3.307  -2.882
   90   1HG   LYS  12          1HG       LYS  12   7.050   3.293  -4.425
   91   2HG   LYS  12          2HG       LYS  12   7.079   5.059  -4.410
   92   1HD   LYS  12          1HD       LYS  12   9.331   5.053  -5.323
   93   2HD   LYS  12          2HD       LYS  12   9.371   3.291  -5.269
   94   1HE   LYS  12          1HE       LYS  12   8.904   4.066  -7.524
   95   2HE   LYS  12          2HE       LYS  12   7.513   3.207  -6.864
   96   1HZ   LYS  12          1HZ       LYS  12   7.827   6.156  -7.030
   97   2HZ   LYS  12          2HZ       LYS  12   6.506   5.356  -6.342
   98   3HZ   LYS  12          3HZ       LYS  12   6.817   5.204  -7.997
   99    H    ARG  13           H        ARG  13   4.862   4.104  -1.052
  100    HA   ARG  13           HA       ARG  13   4.651   6.995  -1.095
  101   1HB   ARG  13          1HB       ARG  13   4.074   5.772  -3.427
  102   2HB   ARG  13          2HB       ARG  13   2.509   5.643  -2.636
  103   1HG   ARG  13          1HG       ARG  13   2.514   7.619  -3.962
  104   2HG   ARG  13          2HG       ARG  13   2.565   8.101  -2.265
  105   1HD   ARG  13          1HD       ARG  13   4.944   8.505  -2.413
  106   2HD   ARG  13          2HD       ARG  13   4.973   7.907  -4.071
  107    HE   ARG  13           HE       ARG  13   3.226   9.921  -4.258
  108   1HH1  ARG  13          1HH1      ARG  13   6.371   9.737  -2.770
  109   2HH1  ARG  13          2HH1      ARG  13   6.733  11.410  -3.028
  110   1HH2  ARG  13          1HH2      ARG  13   3.694  12.124  -4.604
  111   2HH2  ARG  13          2HH2      ARG  13   5.211  12.768  -4.072
  112    H    GLY  14           H        GLY  14   4.547   5.385   1.097
  113   1HA   GLY  14          1HA       GLY  14   3.184   5.470   3.008
  114   2HA   GLY  14          2HA       GLY  14   1.801   5.811   1.981
  115    H    GLU  15           H        GLU  15   4.010   3.254   3.015
  116    HA   GLU  15           HA       GLU  15   2.545   1.119   1.858
  117   1HB   GLU  15          1HB       GLU  15   4.359   0.940   4.265
  118   2HB   GLU  15          2HB       GLU  15   3.954  -0.342   3.132
  119   1HG   GLU  15          1HG       GLU  15   6.080   0.256   2.480
  120   2HG   GLU  15          2HG       GLU  15   5.071   1.179   1.368
  121    H    ARG  16           H        ARG  16   1.198  -0.422   2.887
  122    HA   ARG  16           HA       ARG  16   0.259   0.044   5.568
  123   1HB   ARG  16          1HB       ARG  16  -0.977   1.665   3.950
  124   2HB   ARG  16          2HB       ARG  16  -1.841   0.223   3.431
  125   1HG   ARG  16          1HG       ARG  16  -3.190   1.231   5.068
  126   2HG   ARG  16          2HG       ARG  16  -2.423  -0.148   5.860
  127   1HD   ARG  16          1HD       ARG  16  -2.307   1.702   7.363
  128   2HD   ARG  16          2HD       ARG  16  -0.685   1.422   6.732
  129    HE   ARG  16           HE       ARG  16  -2.306   3.437   5.390
  130   1HH1  ARG  16          1HH1      ARG  16   0.266   2.698   7.625
  131   2HH1  ARG  16          2HH1      ARG  16   0.938   4.293   7.577
  132   1HH2  ARG  16          1HH2      ARG  16  -1.429   5.539   5.326
  133   2HH2  ARG  16          2HH2      ARG  16  -0.027   5.909   6.274
  134    H    VAL  17           H        VAL  17  -1.216  -1.605   6.304
  135    HA   VAL  17           HA       VAL  17  -1.433  -3.944   4.556
  136    HB   VAL  17           HB       VAL  17   0.562  -4.189   6.010
  137   1HG1  VAL  17          1HG1      VAL  17  -0.306  -2.930   7.942
  138   2HG1  VAL  17          2HG1      VAL  17   0.345  -4.508   8.385
  139   3HG1  VAL  17          3HG1      VAL  17  -1.400  -4.269   8.294
  140   1HG2  VAL  17          1HG2      VAL  17  -1.666  -6.133   6.603
  141   2HG2  VAL  17          2HG2      VAL  17   0.058  -6.449   6.785
  142   3HG2  VAL  17          3HG2      VAL  17  -0.621  -6.157   5.184
  143    H    ARG  18           H        ARG  18  -3.499  -2.227   4.979
  144    HA   ARG  18           HA       ARG  18  -5.140  -3.231   7.157
  145   1HB   ARG  18          1HB       ARG  18  -5.133  -0.813   6.543
  146   2HB   ARG  18          2HB       ARG  18  -5.856  -1.239   4.997
  147   1HG   ARG  18          1HG       ARG  18  -7.783  -2.209   6.226
  148   2HG   ARG  18          2HG       ARG  18  -7.071  -1.611   7.726
  149   1HD   ARG  18          1HD       ARG  18  -7.167   0.680   6.834
  150   2HD   ARG  18          2HD       ARG  18  -7.922   0.063   5.365
  151    HE   ARG  18           HE       ARG  18  -9.239  -0.454   7.924
  152   1HH1  ARG  18          1HH1      ARG  18  -9.150   1.272   4.895
  153   2HH1  ARG  18          2HH1      ARG  18 -10.800   1.792   4.999
  154   1HH2  ARG  18          1HH2      ARG  18 -11.407   0.228   8.066
  155   2HH2  ARG  18          2HH2      ARG  18 -12.081   1.199   6.800
  156    H    GLY  19           H        GLY  19  -4.684  -3.738   3.778
  157   1HA   GLY  19          1HA       GLY  19  -6.566  -5.930   3.817
  158   2HA   GLY  19          2HA       GLY  19  -7.043  -4.599   2.772
  159    H    THR  20           H        THR  20  -4.718  -7.149   3.306
  160    HA   THR  20           HA       THR  20  -2.869  -6.738   1.323
  161    HB   THR  20           HB       THR  20  -2.595  -8.586   2.818
  162    HG1  THR  20           1HG      THR  20  -1.806  -9.963   1.341
  163   1HG2  THR  20          1HG2      THR  20  -5.070  -9.760   1.546
  164   2HG2  THR  20          2HG2      THR  20  -4.933  -9.148   3.193
  165   3HG2  THR  20          3HG2      THR  20  -4.033 -10.585   2.708
  166    H    CYS  21           H        CYS  21  -2.755  -6.963  -0.847
  167    HA   CYS  21           HA       CYS  21  -5.248  -7.144  -2.300
  168   1HB   CYS  21          1HB       CYS  21  -3.489  -5.469  -2.867
  169   2HB   CYS  21          2HB       CYS  21  -2.437  -6.790  -3.363
  170    H    GLY  22           H        GLY  22  -3.311  -9.419  -1.054
  171   1HA   GLY  22          1HA       GLY  22  -4.369 -11.518  -2.614
  172   2HA   GLY  22          2HA       GLY  22  -2.721 -11.193  -3.132
  173    H    ILE  23           H        ILE  23  -1.496 -12.772  -2.337
  174    HA   ILE  23           HA       ILE  23  -2.002 -13.780   0.362
  175    HB   ILE  23           HB       ILE  23  -0.057 -14.809  -1.707
  176   1HG1  ILE  23          1HG1      ILE  23  -2.793 -15.876  -0.978
  177   2HG1  ILE  23          2HG1      ILE  23  -2.449 -14.928  -2.420
  178   1HG2  ILE  23          1HG2      ILE  23  -1.090 -16.051   0.840
  179   2HG2  ILE  23          2HG2      ILE  23   0.534 -15.415   0.579
  180   3HG2  ILE  23          3HG2      ILE  23  -0.014 -16.828  -0.323
  181   1HD1  ILE  23          1HD1      ILE  23  -1.308 -17.631  -1.755
  182   2HD1  ILE  23          2HD1      ILE  23  -0.913 -16.677  -3.184
  183   3HD1  ILE  23          3HD1      ILE  23  -2.554 -17.280  -2.952
  184    H    ARG  24           H        ARG  24   0.740 -12.621  -1.595
  185    HA   ARG  24           HA       ARG  24   2.097 -11.867   0.909
  186   1HB   ARG  24          1HB       ARG  24   4.217 -12.110  -0.293
  187   2HB   ARG  24          2HB       ARG  24   3.297 -13.607  -0.332
  188   1HG   ARG  24          1HG       ARG  24   2.544 -13.062  -2.609
  189   2HG   ARG  24          2HG       ARG  24   3.528 -11.598  -2.563
  190   1HD   ARG  24          1HD       ARG  24   4.702 -13.366  -3.739
  191   2HD   ARG  24          2HD       ARG  24   5.535 -12.969  -2.237
  192    HE   ARG  24           HE       ARG  24   3.852 -15.058  -1.625
  193   1HH1  ARG  24          1HH1      ARG  24   6.488 -14.505  -3.836
  194   2HH1  ARG  24          2HH1      ARG  24   7.004 -16.157  -3.837
  195   1HH2  ARG  24          1HH2      ARG  24   4.526 -17.236  -1.619
  196   2HH2  ARG  24          2HH2      ARG  24   5.890 -17.710  -2.578
  197    H    PHE  25           H        PHE  25   0.245 -10.512  -1.269
  198    HA   PHE  25           HA       PHE  25   1.909  -8.252  -2.014
  199   1HB   PHE  25          1HB       PHE  25  -1.038  -8.741  -2.499
  200   2HB   PHE  25          2HB       PHE  25  -0.070  -7.457  -3.217
  201    HD1  PHE  25           1HD      PHE  25   1.488  -7.918  -4.995
  202    HD2  PHE  25           2HD      PHE  25  -0.806 -11.038  -3.230
  203    HE1  PHE  25           1HE      PHE  25   2.070  -9.400  -6.870
  204    HE2  PHE  25           2HE      PHE  25  -0.227 -12.527  -5.102
  205    HZ   PHE  25           HZ       PHE  25   1.214 -11.708  -6.925
  206    H    LEU  26           H        LEU  26   1.566  -6.126  -1.359
  207    HA   LEU  26           HA       LEU  26   0.055  -5.846   1.153
  208   1HB   LEU  26          1HB       LEU  26   2.550  -4.488   0.164
  209   2HB   LEU  26          2HB       LEU  26   1.597  -3.823   1.475
  210    HG   LEU  26           HG       LEU  26   1.940  -6.000   2.702
  211   1HD1  LEU  26          1HD1      LEU  26   3.848  -7.380   1.982
  212   2HD1  LEU  26          2HD1      LEU  26   3.935  -6.448   0.488
  213   3HD1  LEU  26          3HD1      LEU  26   2.510  -7.426   0.834
  214   1HD2  LEU  26          1HD2      LEU  26   4.376  -4.373   1.988
  215   2HD2  LEU  26          2HD2      LEU  26   4.228  -5.435   3.388
  216   3HD2  LEU  26          3HD2      LEU  26   3.206  -4.004   3.253
  217    H    TYR  27           H        TYR  27  -0.658  -3.522   1.564
  218    HA   TYR  27           HA       TYR  27  -1.789  -2.451  -0.931
  219   1HB   TYR  27          1HB       TYR  27  -3.120  -3.384   1.320
  220   2HB   TYR  27          2HB       TYR  27  -3.162  -1.633   1.499
  221    HD1  TYR  27           1HD      TYR  27  -3.559  -4.094  -1.285
  222    HD2  TYR  27           2HD      TYR  27  -5.075  -0.636   0.677
  223    HE1  TYR  27           1HE      TYR  27  -5.411  -3.994  -2.903
  224    HE2  TYR  27           2HE      TYR  27  -6.931  -0.528  -0.933
  225    HH   TYR  27           HH       TYR  27  -7.457  -1.285  -3.190
  226    H    CYS  28           H        CYS  28  -1.304  -0.442  -1.477
  227    HA   CYS  28           HA       CYS  28  -0.071   1.304   0.554
  228   1HB   CYS  28          1HB       CYS  28   1.466   0.451  -1.255
  229   2HB   CYS  28          2HB       CYS  28   0.488   1.340  -2.416
  230    H    CYS  29           H        CYS  29  -0.959   3.289   0.835
  231    HA   CYS  29           HA       CYS  29  -2.573   4.481  -1.250
  232   1HB   CYS  29          1HB       CYS  29  -3.899   2.827   0.445
  233   2HB   CYS  29          2HB       CYS  29  -4.034   4.353   1.312
  234    HA   PRO  30           HA       PRO  30  -0.938   8.030   0.901
  235   1HB   PRO  30          1HB       PRO  30  -1.836   9.947  -0.727
  236   2HB   PRO  30          2HB       PRO  30  -0.605   8.798  -1.263
  237   1HG   PRO  30          1HG       PRO  30  -3.528   8.863  -1.865
  238   2HG   PRO  30          2HG       PRO  30  -2.174   8.437  -2.924
  239   1HD   PRO  30          1HD       PRO  30  -3.818   6.625  -1.596
  240   2HD   PRO  30          2HD       PRO  30  -2.216   6.261  -2.264
  241    H    ARG  31           H        ARG  31  -1.799   8.623   2.806
  242    HA   ARG  31           HA       ARG  31  -4.621   9.433   2.897
  243   1HB   ARG  31          1HB       ARG  31  -4.494   9.056   5.305
  244   2HB   ARG  31          2HB       ARG  31  -3.981   7.623   4.425
  245   1HG   ARG  31          1HG       ARG  31  -1.652   8.171   4.846
  246   2HG   ARG  31          2HG       ARG  31  -2.139   9.646   5.684
  247   1HD   ARG  31          1HD       ARG  31  -3.351   8.280   7.334
  248   2HD   ARG  31          2HD       ARG  31  -2.804   6.822   6.510
  249    HE   ARG  31           HE       ARG  31  -0.598   8.447   7.227
  250   1HH1  ARG  31          1HH1      ARG  31  -2.972   6.286   8.587
  251   2HH1  ARG  31          2HH1      ARG  31  -1.960   5.800   9.906
  252   1HH2  ARG  31          1HH2      ARG  31   0.737   7.814   8.959
  253   2HH2  ARG  31          2HH2      ARG  31   0.148   6.670  10.118
  254    H    ARG  32           H        ARG  32  -2.051  10.986   2.148
  255    HA   ARG  32           HA       ARG  32  -2.889  13.459   3.330
  256   1HB   ARG  32          1HB       ARG  32  -1.510  12.561   5.155
  257   2HB   ARG  32          2HB       ARG  32  -0.160  12.367   4.046
  258   1HG   ARG  32          1HG       ARG  32  -0.054  14.776   3.728
  259   2HG   ARG  32          2HG       ARG  32  -1.438  14.986   4.804
  260   1HD   ARG  32          1HD       ARG  32  -0.176  14.059   6.654
  261   2HD   ARG  32          2HD       ARG  32   1.191  13.735   5.590
  262    HE   ARG  32           HE       ARG  32   0.349  16.504   5.757
  263   1HH1  ARG  32          1HH1      ARG  32   2.488  14.012   6.917
  264   2HH1  ARG  32          2HH1      ARG  32   3.663  15.126   7.531
  265   1HH2  ARG  32          1HH2      ARG  32   1.892  17.981   6.564
  266   2HH2  ARG  32          2HH2      ARG  32   3.326  17.381   7.328
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1 -10.562  11.804  -4.918
    2   2H    GLY   1          2H        GLY   1  -9.856  11.404  -3.434
    3   3H    GLY   1          3H        GLY   1 -10.173  10.194  -4.572
    4   1HA   GLY   1          1HA       GLY   1  -8.560  11.143  -6.092
    5   2HA   GLY   1          2HA       GLY   1  -8.241  12.420  -4.928
    6    H    LEU   2           H        LEU   2  -8.687  10.122  -2.848
    7    HA   LEU   2           HA       LEU   2  -5.873   9.286  -2.881
    8   1HB   LEU   2          1HB       LEU   2  -7.857   9.212  -0.605
    9   2HB   LEU   2          2HB       LEU   2  -6.145   8.845  -0.499
   10    HG   LEU   2           HG       LEU   2  -7.293  11.553  -1.192
   11   1HD1  LEU   2          1HD1      LEU   2  -6.029  10.577   1.366
   12   2HD1  LEU   2          2HD1      LEU   2  -7.744  10.914   1.128
   13   3HD1  LEU   2          3HD1      LEU   2  -6.566  12.223   1.029
   14   1HD2  LEU   2          1HD2      LEU   2  -5.108  11.174  -2.201
   15   2HD2  LEU   2          2HD2      LEU   2  -4.458  10.677  -0.639
   16   3HD2  LEU   2          3HD2      LEU   2  -4.993  12.340  -0.883
   17    H    LEU   3           H        LEU   3  -6.470   7.677  -4.541
   18    HA   LEU   3           HA       LEU   3  -8.023   5.399  -3.601
   19   1HB   LEU   3          1HB       LEU   3  -6.642   5.894  -6.241
   20   2HB   LEU   3          2HB       LEU   3  -7.667   4.518  -5.879
   21    HG   LEU   3           HG       LEU   3  -8.619   7.382  -5.842
   22   1HD1  LEU   3          1HD1      LEU   3  -9.678   6.897  -7.978
   23   2HD1  LEU   3          2HD1      LEU   3  -8.946   5.293  -7.990
   24   3HD1  LEU   3          3HD1      LEU   3  -7.927   6.727  -8.093
   25   1HD2  LEU   3          1HD2      LEU   3 -10.836   6.400  -5.813
   26   2HD2  LEU   3          2HD2      LEU   3  -9.899   5.821  -4.436
   27   3HD2  LEU   3          3HD2      LEU   3 -10.143   4.779  -5.838
   28    H    CYS   4           H        CYS   4  -7.201   3.322  -3.331
   29    HA   CYS   4           HA       CYS   4  -4.352   3.233  -2.710
   30   1HB   CYS   4          1HB       CYS   4  -6.431   1.105  -2.188
   31   2HB   CYS   4          2HB       CYS   4  -4.833   1.236  -1.463
   32    H    TYR   5           H        TYR   5  -3.159   1.195  -3.256
   33    HA   TYR   5           HA       TYR   5  -4.041  -0.089  -5.726
   34   1HB   TYR   5          1HB       TYR   5  -1.377   1.316  -5.435
   35   2HB   TYR   5          2HB       TYR   5  -1.842   0.297  -6.793
   36    HD1  TYR   5           1HD      TYR   5  -2.142   3.572  -5.257
   37    HD2  TYR   5           2HD      TYR   5  -3.608   1.052  -8.355
   38    HE1  TYR   5           1HE      TYR   5  -3.114   5.531  -6.382
   39    HE2  TYR   5           2HE      TYR   5  -4.583   3.004  -9.489
   40    HH   TYR   5           HH       TYR   5  -5.328   5.259  -8.962
   41    H    CYS   6           H        CYS   6  -3.035  -2.085  -6.160
   42    HA   CYS   6           HA       CYS   6  -2.072  -3.442  -3.792
   43   1HB   CYS   6          1HB       CYS   6  -3.687  -4.621  -5.122
   44   2HB   CYS   6          2HB       CYS   6  -2.732  -4.394  -6.584
   45    H    ARG   7           H        ARG   7   0.018  -3.085  -3.305
   46    HA   ARG   7           HA       ARG   7   1.996  -2.972  -5.454
   47   1HB   ARG   7          1HB       ARG   7   2.229  -2.388  -2.498
   48   2HB   ARG   7          2HB       ARG   7   3.558  -2.267  -3.640
   49   1HG   ARG   7          1HG       ARG   7   1.005  -0.695  -3.881
   50   2HG   ARG   7          2HG       ARG   7   2.455  -0.105  -3.065
   51   1HD   ARG   7          1HD       ARG   7   3.703  -0.523  -5.203
   52   2HD   ARG   7          2HD       ARG   7   2.148  -0.842  -5.968
   53    HE   ARG   7           HE       ARG   7   1.678   1.553  -4.981
   54   1HH1  ARG   7          1HH1      ARG   7   4.537   0.358  -6.567
   55   2HH1  ARG   7          2HH1      ARG   7   4.978   1.902  -7.219
   56   1HH2  ARG   7          1HH2      ARG   7   2.250   3.591  -5.831
   57   2HH2  ARG   7          2HH2      ARG   7   3.678   3.740  -6.800
   58    H    LYS   8           H        LYS   8   4.127  -4.074  -5.008
   59    HA   LYS   8           HA       LYS   8   3.752  -6.666  -3.672
   60   1HB   LYS   8          1HB       LYS   8   3.426  -7.005  -6.070
   61   2HB   LYS   8          2HB       LYS   8   4.965  -6.227  -6.407
   62   1HG   LYS   8          1HG       LYS   8   6.051  -8.052  -5.047
   63   2HG   LYS   8          2HG       LYS   8   4.486  -8.871  -5.061
   64   1HD   LYS   8          1HD       LYS   8   4.513  -8.917  -7.494
   65   2HD   LYS   8          2HD       LYS   8   6.043  -8.040  -7.511
   66   1HE   LYS   8          1HE       LYS   8   6.471 -10.383  -7.863
   67   2HE   LYS   8          2HE       LYS   8   7.086  -9.914  -6.279
   68   1HZ   LYS   8          1HZ       LYS   8   5.916 -12.017  -6.176
   69   2HZ   LYS   8          2HZ       LYS   8   4.513 -11.304  -6.795
   70   3HZ   LYS   8          3HZ       LYS   8   5.093 -10.846  -5.274
   71    H    GLY   9           H        GLY   9   5.046  -6.145  -1.935
   72   1HA   GLY   9          1HA       GLY   9   7.316  -6.634  -1.187
   73   2HA   GLY   9          2HA       GLY   9   7.898  -5.746  -2.586
   74    H    HIS  10           H        HIS  10   7.547  -3.417  -2.625
   75    HA   HIS  10           HA       HIS  10   7.017  -2.195  -0.021
   76   1HB   HIS  10          1HB       HIS  10   9.534  -2.701  -0.436
   77   2HB   HIS  10          2HB       HIS  10   9.453  -1.355  -1.566
   78    HD1  HIS  10           1HD      HIS  10   9.473  -2.164   2.060
   79    HD2  HIS  10           2HD      HIS  10   9.104   1.182  -0.374
   80    HE1  HIS  10           1HE      HIS  10   9.759  -0.187   3.588
   81    HE2  HIS  10           2HE      HIS  10   9.491   1.829   2.099
   82    H    CYS  11           H        CYS  11   5.961  -0.292  -0.165
   83    HA   CYS  11           HA       CYS  11   5.454   0.756  -2.858
   84   1HB   CYS  11          1HB       CYS  11   3.506   0.113  -1.444
   85   2HB   CYS  11          2HB       CYS  11   3.978   1.350  -0.286
   86    H    LYS  12           H        LYS  12   5.031   3.206  -2.876
   87    HA   LYS  12           HA       LYS  12   7.440   4.516  -2.214
   88   1HB   LYS  12          1HB       LYS  12   5.817   6.596  -2.737
   89   2HB   LYS  12          2HB       LYS  12   6.552   5.605  -3.986
   90   1HG   LYS  12          1HG       LYS  12   4.487   4.239  -4.057
   91   2HG   LYS  12          2HG       LYS  12   3.755   5.346  -2.897
   92   1HD   LYS  12          1HD       LYS  12   4.848   6.174  -5.582
   93   2HD   LYS  12          2HD       LYS  12   3.149   5.813  -5.269
   94   1HE   LYS  12          1HE       LYS  12   3.097   7.604  -3.587
   95   2HE   LYS  12          2HE       LYS  12   4.784   7.974  -3.941
   96   1HZ   LYS  12          1HZ       LYS  12   3.300   9.474  -5.103
   97   2HZ   LYS  12          2HZ       LYS  12   2.525   8.175  -5.860
   98   3HZ   LYS  12          3HZ       LYS  12   4.144   8.515  -6.212
   99    H    ARG  13           H        ARG  13   4.367   5.966  -1.245
  100    HA   ARG  13           HA       ARG  13   5.320   6.007   1.530
  101   1HB   ARG  13          1HB       ARG  13   4.022   8.420   0.293
  102   2HB   ARG  13          2HB       ARG  13   4.926   8.308   1.794
  103   1HG   ARG  13          1HG       ARG  13   6.584   9.211   0.601
  104   2HG   ARG  13          2HG       ARG  13   6.817   7.567   0.003
  105   1HD   ARG  13          1HD       ARG  13   5.399   8.048  -1.916
  106   2HD   ARG  13          2HD       ARG  13   5.105   9.676  -1.308
  107    HE   ARG  13           HE       ARG  13   7.885   9.185  -1.626
  108   1HH1  ARG  13          1HH1      ARG  13   4.978   9.904  -3.410
  109   2HH1  ARG  13          2HH1      ARG  13   5.816  10.685  -4.709
  110   1HH2  ARG  13          1HH2      ARG  13   8.995  10.213  -3.332
  111   2HH2  ARG  13          2HH2      ARG  13   8.099  10.862  -4.666
  112    H    GLY  14           H        GLY  14   3.828   4.585   2.315
  113   1HA   GLY  14          1HA       GLY  14   1.555   5.077   3.440
  114   2HA   GLY  14          2HA       GLY  14   0.989   5.150   1.780
  115    H    GLU  15           H        GLU  15   3.195   2.937   3.493
  116    HA   GLU  15           HA       GLU  15   1.920   0.668   2.224
  117   1HB   GLU  15          1HB       GLU  15   4.274   0.938   4.091
  118   2HB   GLU  15          2HB       GLU  15   3.657  -0.621   3.563
  119   1HG   GLU  15          1HG       GLU  15   4.237  -0.220   1.332
  120   2HG   GLU  15          2HG       GLU  15   4.501   1.500   1.618
  121    H    ARG  16           H        ARG  16   0.244  -0.376   3.064
  122    HA   ARG  16           HA       ARG  16   0.030  -0.690   5.957
  123   1HB   ARG  16          1HB       ARG  16  -2.186   0.455   4.248
  124   2HB   ARG  16          2HB       ARG  16  -2.368  -0.051   5.922
  125   1HG   ARG  16          1HG       ARG  16  -0.664   1.636   6.560
  126   2HG   ARG  16          2HG       ARG  16  -0.654   2.195   4.887
  127   1HD   ARG  16          1HD       ARG  16  -3.024   2.176   6.752
  128   2HD   ARG  16          2HD       ARG  16  -2.100   3.593   6.257
  129    HE   ARG  16           HE       ARG  16  -2.992   2.421   3.927
  130   1HH1  ARG  16          1HH1      ARG  16  -4.435   3.775   6.798
  131   2HH1  ARG  16          2HH1      ARG  16  -5.875   4.293   5.985
  132   1HH2  ARG  16          1HH2      ARG  16  -4.884   3.098   2.851
  133   2HH2  ARG  16          2HH2      ARG  16  -6.129   3.908   3.742
  134    H    VAL  17           H        VAL  17  -1.922  -2.149   6.475
  135    HA   VAL  17           HA       VAL  17  -2.287  -4.154   4.367
  136    HB   VAL  17           HB       VAL  17  -0.515  -4.876   5.980
  137   1HG1  VAL  17          1HG1      VAL  17  -2.792  -5.000   7.951
  138   2HG1  VAL  17          2HG1      VAL  17  -1.452  -3.854   7.995
  139   3HG1  VAL  17          3HG1      VAL  17  -1.147  -5.577   8.218
  140   1HG2  VAL  17          1HG2      VAL  17  -1.352  -7.140   6.247
  141   2HG2  VAL  17          2HG2      VAL  17  -1.819  -6.493   4.675
  142   3HG2  VAL  17          3HG2      VAL  17  -3.003  -6.582   5.979
  143    H    ARG  18           H        ARG  18  -4.056  -2.115   5.076
  144    HA   ARG  18           HA       ARG  18  -6.062  -2.959   6.891
  145   1HB   ARG  18          1HB       ARG  18  -5.842  -0.620   6.165
  146   2HB   ARG  18          2HB       ARG  18  -6.264  -1.083   4.523
  147   1HG   ARG  18          1HG       ARG  18  -8.180  -0.103   5.562
  148   2HG   ARG  18          2HG       ARG  18  -8.477  -1.830   5.355
  149   1HD   ARG  18          1HD       ARG  18  -7.897  -2.217   7.693
  150   2HD   ARG  18          2HD       ARG  18  -7.568  -0.497   7.903
  151    HE   ARG  18           HE       ARG  18 -10.200  -0.891   6.941
  152   1HH1  ARG  18          1HH1      ARG  18  -8.260  -1.201   9.820
  153   2HH1  ARG  18          2HH1      ARG  18  -9.596  -0.987  10.899
  154   1HH2  ARG  18          1HH2      ARG  18 -11.966  -0.609   8.357
  155   2HH2  ARG  18          2HH2      ARG  18 -11.703  -0.653  10.068
  156    H    GLY  19           H        GLY  19  -5.395  -3.586   3.542
  157   1HA   GLY  19          1HA       GLY  19  -7.444  -5.669   3.530
  158   2HA   GLY  19          2HA       GLY  19  -7.551  -4.428   2.287
  159    H    THR  20           H        THR  20  -5.432  -6.912   3.639
  160    HA   THR  20           HA       THR  20  -3.309  -6.934   1.971
  161    HB   THR  20           HB       THR  20  -3.501  -8.555   3.750
  162    HG1  THR  20           1HG      THR  20  -3.406 -10.090   1.370
  163   1HG2  THR  20          1HG2      THR  20  -5.617  -9.888   2.058
  164   2HG2  THR  20          2HG2      THR  20  -5.891  -9.039   3.578
  165   3HG2  THR  20          3HG2      THR  20  -4.945 -10.526   3.558
  166    H    CYS  21           H        CYS  21  -2.831  -7.370  -0.084
  167    HA   CYS  21           HA       CYS  21  -5.028  -7.803  -1.937
  168   1HB   CYS  21          1HB       CYS  21  -3.455  -6.014  -2.427
  169   2HB   CYS  21          2HB       CYS  21  -2.110  -7.146  -2.388
  170    H    GLY  22           H        GLY  22  -2.595  -9.618  -0.399
  171   1HA   GLY  22          1HA       GLY  22  -3.427 -12.062  -1.500
  172   2HA   GLY  22          2HA       GLY  22  -1.986 -11.539  -2.359
  173    H    ILE  23           H        ILE  23  -0.590 -13.084  -1.624
  174    HA   ILE  23           HA       ILE  23  -0.286 -13.438   1.265
  175    HB   ILE  23           HB       ILE  23   1.163 -14.925  -0.926
  176   1HG1  ILE  23          1HG1      ILE  23  -1.241 -15.255  -1.208
  177   2HG1  ILE  23          2HG1      ILE  23  -0.492 -16.726  -0.598
  178   1HG2  ILE  23          1HG2      ILE  23   1.505 -16.614   0.830
  179   2HG2  ILE  23          2HG2      ILE  23   0.713 -15.547   1.989
  180   3HG2  ILE  23          3HG2      ILE  23   2.234 -15.061   1.240
  181   1HD1  ILE  23          1HD1      ILE  23  -2.609 -16.316   0.496
  182   2HD1  ILE  23          2HD1      ILE  23  -2.053 -14.727   1.023
  183   3HD1  ILE  23          3HD1      ILE  23  -1.283 -16.184   1.652
  184    H    ARG  24           H        ARG  24   1.581 -12.536  -1.601
  185    HA   ARG  24           HA       ARG  24   3.733 -11.548   0.141
  186   1HB   ARG  24          1HB       ARG  24   5.128 -11.562  -1.901
  187   2HB   ARG  24          2HB       ARG  24   4.482 -13.152  -1.519
  188   1HG   ARG  24          1HG       ARG  24   2.634 -12.626  -3.187
  189   2HG   ARG  24          2HG       ARG  24   3.643 -11.272  -3.701
  190   1HD   ARG  24          1HD       ARG  24   5.450 -12.785  -4.250
  191   2HD   ARG  24          2HD       ARG  24   4.524 -14.156  -3.640
  192    HE   ARG  24           HE       ARG  24   3.130 -12.764  -5.700
  193   1HH1  ARG  24          1HH1      ARG  24   5.673 -15.075  -5.117
  194   2HH1  ARG  24          2HH1      ARG  24   5.498 -15.848  -6.657
  195   1HH2  ARG  24          1HH2      ARG  24   2.895 -13.777  -7.729
  196   2HH2  ARG  24          2HH2      ARG  24   3.921 -15.109  -8.142
  197    H    PHE  25           H        PHE  25   1.026 -10.449  -1.272
  198    HA   PHE  25           HA       PHE  25   2.150  -7.903  -2.182
  199   1HB   PHE  25          1HB       PHE  25  -0.700  -8.904  -2.347
  200   2HB   PHE  25          2HB       PHE  25  -0.063  -7.450  -3.104
  201    HD1  PHE  25           1HD      PHE  25   1.403  -7.597  -5.046
  202    HD2  PHE  25           2HD      PHE  25  -0.282 -11.077  -3.268
  203    HE1  PHE  25           1HE      PHE  25   1.966  -8.893  -7.060
  204    HE2  PHE  25           2HE      PHE  25   0.279 -12.380  -5.279
  205    HZ   PHE  25           HZ       PHE  25   1.404 -11.288  -7.178
  206    H    LEU  26           H        LEU  26   0.591  -5.983  -1.640
  207    HA   LEU  26           HA       LEU  26  -0.595  -6.087   0.988
  208   1HB   LEU  26          1HB       LEU  26   0.816  -4.441   2.023
  209   2HB   LEU  26          2HB       LEU  26   1.804  -5.789   1.497
  210    HG   LEU  26           HG       LEU  26   1.545  -3.240  -0.090
  211   1HD1  LEU  26          1HD1      LEU  26   3.660  -3.981   1.926
  212   2HD1  LEU  26          2HD1      LEU  26   2.444  -2.718   2.118
  213   3HD1  LEU  26          3HD1      LEU  26   3.682  -2.567   0.871
  214   1HD2  LEU  26          1HD2      LEU  26   3.516  -5.521  -0.143
  215   2HD2  LEU  26          2HD2      LEU  26   3.671  -4.033  -1.076
  216   3HD2  LEU  26          3HD2      LEU  26   2.322  -5.127  -1.378
  217    H    TYR  27           H        TYR  27  -1.315  -3.774   1.635
  218    HA   TYR  27           HA       TYR  27  -2.397  -2.537  -0.803
  219   1HB   TYR  27          1HB       TYR  27  -3.700  -3.478   1.458
  220   2HB   TYR  27          2HB       TYR  27  -3.670  -1.734   1.687
  221    HD1  TYR  27           1HD      TYR  27  -4.211  -4.063  -1.187
  222    HD2  TYR  27           2HD      TYR  27  -5.595  -0.675   0.983
  223    HE1  TYR  27           1HE      TYR  27  -6.099  -3.843  -2.745
  224    HE2  TYR  27           2HE      TYR  27  -7.487  -0.447  -0.569
  225    HH   TYR  27           HH       TYR  27  -8.093  -1.083  -2.843
  226    H    CYS  28           H        CYS  28  -1.809  -0.557  -1.335
  227    HA   CYS  28           HA       CYS  28  -0.533   1.125   0.721
  228   1HB   CYS  28          1HB       CYS  28   1.132   0.256  -0.854
  229   2HB   CYS  28          2HB       CYS  28   0.205   0.897  -2.205
  230    H    CYS  29           H        CYS  29  -1.156   3.224   0.844
  231    HA   CYS  29           HA       CYS  29  -2.797   4.362  -1.280
  232   1HB   CYS  29          1HB       CYS  29  -4.001   3.213   0.935
  233   2HB   CYS  29          2HB       CYS  29  -3.943   4.925   1.346
  234    HA   PRO  30           HA       PRO  30  -0.426   7.969  -0.301
  235   1HB   PRO  30          1HB       PRO  30  -2.165   9.915  -1.122
  236   2HB   PRO  30          2HB       PRO  30  -1.174   8.955  -2.226
  237   1HG   PRO  30          1HG       PRO  30  -4.047   8.601  -1.463
  238   2HG   PRO  30          2HG       PRO  30  -3.289   8.471  -3.060
  239   1HD   PRO  30          1HD       PRO  30  -3.923   6.296  -1.613
  240   2HD   PRO  30          2HD       PRO  30  -2.477   6.344  -2.642
  241    H    ARG  31           H        ARG  31  -0.408   7.831   1.960
  242    HA   ARG  31           HA       ARG  31  -2.602   8.680   3.574
  243   1HB   ARG  31          1HB       ARG  31  -0.969   8.557   5.434
  244   2HB   ARG  31          2HB       ARG  31  -0.997   7.097   4.455
  245   1HG   ARG  31          1HG       ARG  31   1.011   7.913   3.260
  246   2HG   ARG  31          2HG       ARG  31   1.060   9.294   4.357
  247   1HD   ARG  31          1HD       ARG  31   1.254   6.389   5.150
  248   2HD   ARG  31          2HD       ARG  31   2.597   7.529   5.067
  249    HE   ARG  31           HE       ARG  31   0.553   8.492   6.782
  250   1HH1  ARG  31          1HH1      ARG  31   3.153   6.179   6.611
  251   2HH1  ARG  31          2HH1      ARG  31   3.424   6.164   8.322
  252   1HH2  ARG  31          1HH2      ARG  31   0.902   8.480   9.035
  253   2HH2  ARG  31          2HH2      ARG  31   2.144   7.472   9.700
  254    H    ARG  32           H        ARG  32  -0.037  10.289   1.953
  255    HA   ARG  32           HA       ARG  32  -0.023  12.635   3.610
  256   1HB   ARG  32          1HB       ARG  32   1.088  12.175   0.835
  257   2HB   ARG  32          2HB       ARG  32   1.392  13.598   1.822
  258   1HG   ARG  32          1HG       ARG  32   2.147  10.792   2.608
  259   2HG   ARG  32          2HG       ARG  32   3.236  11.948   1.839
  260   1HD   ARG  32          1HD       ARG  32   2.910  13.485   3.730
  261   2HD   ARG  32          2HD       ARG  32   1.857  12.299   4.499
  262    HE   ARG  32           HE       ARG  32   4.406  11.190   3.897
  263   1HH1  ARG  32          1HH1      ARG  32   2.734  13.258   6.148
  264   2HH1  ARG  32          2HH1      ARG  32   3.829  12.940   7.453
  265   1HH2  ARG  32          1HH2      ARG  32   5.853  10.767   5.610
  266   2HH2  ARG  32          2HH2      ARG  32   5.600  11.525   7.146
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -4.460  11.610  -2.417
    2   2H    GLY   1          2H        GLY   1  -2.918  12.150  -2.857
    3   3H    GLY   1          3H        GLY   1  -3.357  10.539  -3.127
    4   1HA   GLY   1          1HA       GLY   1  -4.477  12.935  -4.475
    5   2HA   GLY   1          2HA       GLY   1  -3.434  11.720  -5.200
    6    H    LEU   2           H        LEU   2  -4.293   9.476  -5.240
    7    HA   LEU   2           HA       LEU   2  -7.195   9.535  -5.732
    8   1HB   LEU   2          1HB       LEU   2  -5.012   7.859  -6.960
    9   2HB   LEU   2          2HB       LEU   2  -6.716   7.516  -7.180
   10    HG   LEU   2           HG       LEU   2  -6.939   9.852  -8.148
   11   1HD1  LEU   2          1HD1      LEU   2  -3.932   9.637  -8.205
   12   2HD1  LEU   2          2HD1      LEU   2  -4.880  10.804  -7.284
   13   3HD1  LEU   2          3HD1      LEU   2  -4.891  10.856  -9.045
   14   1HD2  LEU   2          1HD2      LEU   2  -5.176   7.875  -9.589
   15   2HD2  LEU   2          2HD2      LEU   2  -6.119   9.162 -10.339
   16   3HD2  LEU   2          3HD2      LEU   2  -6.938   7.831  -9.520
   17    H    LEU   3           H        LEU   3  -7.691   6.832  -5.884
   18    HA   LEU   3           HA       LEU   3  -7.993   6.145  -3.157
   19   1HB   LEU   3          1HB       LEU   3  -8.310   4.434  -5.626
   20   2HB   LEU   3          2HB       LEU   3  -8.865   3.999  -4.021
   21    HG   LEU   3           HG       LEU   3  -9.866   6.379  -5.586
   22   1HD1  LEU   3          1HD1      LEU   3 -11.904   5.065  -5.904
   23   2HD1  LEU   3          2HD1      LEU   3 -11.131   3.681  -5.132
   24   3HD1  LEU   3          3HD1      LEU   3 -10.511   4.297  -6.664
   25   1HD2  LEU   3          1HD2      LEU   3 -11.629   6.430  -3.883
   26   2HD2  LEU   3          2HD2      LEU   3 -10.032   6.678  -3.178
   27   3HD2  LEU   3          3HD2      LEU   3 -10.830   5.114  -3.023
   28    H    CYS   4           H        CYS   4  -7.425   3.632  -2.662
   29    HA   CYS   4           HA       CYS   4  -4.618   3.612  -2.253
   30   1HB   CYS   4          1HB       CYS   4  -6.473   1.248  -1.970
   31   2HB   CYS   4          2HB       CYS   4  -4.958   1.535  -1.123
   32    H    TYR   5           H        TYR   5  -3.458   1.360  -2.753
   33    HA   TYR   5           HA       TYR   5  -4.038   0.467  -5.468
   34   1HB   TYR   5          1HB       TYR   5  -1.401   1.697  -4.652
   35   2HB   TYR   5          2HB       TYR   5  -1.656   0.798  -6.144
   36    HD1  TYR   5           1HD      TYR   5  -1.731   3.996  -4.625
   37    HD2  TYR   5           2HD      TYR   5  -3.536   1.684  -7.706
   38    HE1  TYR   5           1HE      TYR   5  -2.468   6.064  -5.737
   39    HE2  TYR   5           2HE      TYR   5  -4.278   3.744  -8.827
   40    HH   TYR   5           HH       TYR   5  -3.105   6.811  -8.001
   41    H    CYS   6           H        CYS   6  -3.226  -1.553  -5.982
   42    HA   CYS   6           HA       CYS   6  -2.319  -3.137  -3.691
   43   1HB   CYS   6          1HB       CYS   6  -4.242  -4.067  -4.769
   44   2HB   CYS   6          2HB       CYS   6  -3.518  -3.884  -6.362
   45    H    ARG   7           H        ARG   7  -0.165  -3.154  -3.495
   46    HA   ARG   7           HA       ARG   7   1.439  -3.535  -5.939
   47   1HB   ARG   7          1HB       ARG   7   2.043  -2.035  -3.401
   48   2HB   ARG   7          2HB       ARG   7   3.317  -2.539  -4.503
   49   1HG   ARG   7          1HG       ARG   7   2.362  -1.222  -6.282
   50   2HG   ARG   7          2HG       ARG   7   0.984  -0.795  -5.265
   51   1HD   ARG   7          1HD       ARG   7   2.391   0.444  -3.774
   52   2HD   ARG   7          2HD       ARG   7   3.843  -0.123  -4.595
   53    HE   ARG   7           HE       ARG   7   3.341   1.306  -6.410
   54   1HH1  ARG   7          1HH1      ARG   7   1.106   1.627  -3.752
   55   2HH1  ARG   7          2HH1      ARG   7   0.522   3.174  -4.264
   56   1HH2  ARG   7          1HH2      ARG   7   2.577   3.342  -7.087
   57   2HH2  ARG   7          2HH2      ARG   7   1.357   4.149  -6.160
   58    H    LYS   8           H        LYS   8   3.790  -4.343  -5.072
   59    HA   LYS   8           HA       LYS   8   3.337  -6.626  -3.281
   60   1HB   LYS   8          1HB       LYS   8   3.144  -7.412  -5.611
   61   2HB   LYS   8          2HB       LYS   8   4.744  -6.770  -5.953
   62   1HG   LYS   8          1HG       LYS   8   5.726  -8.327  -4.360
   63   2HG   LYS   8          2HG       LYS   8   4.122  -8.957  -3.979
   64   1HD   LYS   8          1HD       LYS   8   5.164 -10.459  -5.526
   65   2HD   LYS   8          2HD       LYS   8   3.882  -9.597  -6.379
   66   1HE   LYS   8          1HE       LYS   8   5.853  -9.724  -7.774
   67   2HE   LYS   8          2HE       LYS   8   5.568  -8.051  -7.296
   68   1HZ   LYS   8          1HZ       LYS   8   7.910  -8.676  -7.130
   69   2HZ   LYS   8          2HZ       LYS   8   7.520  -9.882  -6.011
   70   3HZ   LYS   8          3HZ       LYS   8   7.274  -8.256  -5.620
   71    H    GLY   9           H        GLY   9   4.848  -6.794  -1.759
   72   1HA   GLY   9          1HA       GLY   9   7.083  -6.894  -0.977
   73   2HA   GLY   9          2HA       GLY   9   7.573  -5.876  -2.323
   74    H    HIS  10           H        HIS  10   7.538  -3.670  -2.112
   75    HA   HIS  10           HA       HIS  10   6.516  -2.533   0.387
   76   1HB   HIS  10          1HB       HIS  10   9.020  -3.129   0.513
   77   2HB   HIS  10          2HB       HIS  10   9.260  -1.801  -0.617
   78    HD1  HIS  10           1HD      HIS  10   8.414  -2.540   2.936
   79    HD2  HIS  10           2HD      HIS  10   8.882   0.772   0.468
   80    HE1  HIS  10           1HE      HIS  10   8.515  -0.559   4.481
   81    HE2  HIS  10           2HE      HIS  10   8.758   1.439   2.964
   82    H    CYS  11           H        CYS  11   5.449  -0.678   0.050
   83    HA   CYS  11           HA       CYS  11   5.339   0.415  -2.616
   84   1HB   CYS  11          1HB       CYS  11   3.313   0.184  -1.196
   85   2HB   CYS  11          2HB       CYS  11   3.974   1.392  -0.100
   86    H    LYS  12           H        LYS  12   5.497   2.766  -2.993
   87    HA   LYS  12           HA       LYS  12   7.998   3.749  -1.961
   88   1HB   LYS  12          1HB       LYS  12   7.712   5.562  -3.578
   89   2HB   LYS  12          2HB       LYS  12   7.465   3.994  -4.332
   90   1HG   LYS  12          1HG       LYS  12   5.017   4.331  -4.108
   91   2HG   LYS  12          2HG       LYS  12   5.340   5.954  -3.497
   92   1HD   LYS  12          1HD       LYS  12   4.986   6.391  -5.727
   93   2HD   LYS  12          2HD       LYS  12   6.737   6.177  -5.702
   94   1HE   LYS  12          1HE       LYS  12   4.706   4.076  -6.447
   95   2HE   LYS  12          2HE       LYS  12   5.711   4.984  -7.575
   96   1HZ   LYS  12          1HZ       LYS  12   7.673   3.998  -6.529
   97   2HZ   LYS  12          2HZ       LYS  12   6.647   2.812  -7.164
   98   3HZ   LYS  12          3HZ       LYS  12   6.681   3.095  -5.497
   99    H    ARG  13           H        ARG  13   4.647   4.281  -1.326
  100    HA   ARG  13           HA       ARG  13   5.199   5.819   0.975
  101   1HB   ARG  13          1HB       ARG  13   4.202   7.955   0.279
  102   2HB   ARG  13          2HB       ARG  13   5.670   7.595  -0.610
  103   1HG   ARG  13          1HG       ARG  13   4.276   6.795  -2.495
  104   2HG   ARG  13          2HG       ARG  13   2.844   7.309  -1.606
  105   1HD   ARG  13          1HD       ARG  13   3.523   8.989  -3.241
  106   2HD   ARG  13          2HD       ARG  13   3.659   9.605  -1.596
  107    HE   ARG  13           HE       ARG  13   6.142   8.579  -2.281
  108   1HH1  ARG  13          1HH1      ARG  13   4.009  11.115  -3.361
  109   2HH1  ARG  13          2HH1      ARG  13   5.294  12.135  -3.916
  110   1HH2  ARG  13          1HH2      ARG  13   7.839   9.915  -3.011
  111   2HH2  ARG  13          2HH2      ARG  13   7.472  11.452  -3.717
  112    H    GLY  14           H        GLY  14   3.697   5.061   2.299
  113   1HA   GLY  14          1HA       GLY  14   1.374   5.197   2.992
  114   2HA   GLY  14          2HA       GLY  14   0.919   4.923   1.318
  115    H    GLU  15           H        GLU  15   3.483   3.082   2.788
  116    HA   GLU  15           HA       GLU  15   2.382   0.603   2.111
  117   1HB   GLU  15          1HB       GLU  15   4.394   1.179   4.296
  118   2HB   GLU  15          2HB       GLU  15   4.111  -0.380   3.536
  119   1HG   GLU  15          1HG       GLU  15   6.020   0.391   2.488
  120   2HG   GLU  15          2HG       GLU  15   4.741   0.804   1.346
  121    H    ARG  16           H        ARG  16   0.639  -0.363   2.909
  122    HA   ARG  16           HA       ARG  16   0.157  -0.283   5.794
  123   1HB   ARG  16          1HB       ARG  16  -1.894   0.421   3.692
  124   2HB   ARG  16          2HB       ARG  16  -2.278   0.104   5.379
  125   1HG   ARG  16          1HG       ARG  16  -0.986   2.008   6.083
  126   2HG   ARG  16          2HG       ARG  16  -0.430   2.283   4.431
  127   1HD   ARG  16          1HD       ARG  16  -2.228   3.822   5.030
  128   2HD   ARG  16          2HD       ARG  16  -2.719   2.741   3.727
  129    HE   ARG  16           HE       ARG  16  -3.521   1.591   6.137
  130   1HH1  ARG  16          1HH1      ARG  16  -4.218   4.406   4.207
  131   2HH1  ARG  16          2HH1      ARG  16  -5.857   4.534   4.752
  132   1HH2  ARG  16          1HH2      ARG  16  -5.679   1.753   6.862
  133   2HH2  ARG  16          2HH2      ARG  16  -6.687   3.027   6.261
  134    H    VAL  17           H        VAL  17  -1.236  -1.961   6.577
  135    HA   VAL  17           HA       VAL  17  -1.675  -4.181   4.704
  136    HB   VAL  17           HB       VAL  17  -0.633  -4.677   7.485
  137   1HG1  VAL  17          1HG1      VAL  17  -1.739  -6.539   6.372
  138   2HG1  VAL  17          2HG1      VAL  17  -0.012  -6.851   6.540
  139   3HG1  VAL  17          3HG1      VAL  17  -0.671  -6.359   4.981
  140   1HG2  VAL  17          1HG2      VAL  17   1.048  -3.328   6.373
  141   2HG2  VAL  17          2HG2      VAL  17   0.998  -4.388   4.964
  142   3HG2  VAL  17          3HG2      VAL  17   1.601  -4.998   6.505
  143    H    ARG  18           H        ARG  18  -3.657  -2.465   5.462
  144    HA   ARG  18           HA       ARG  18  -5.114  -3.693   7.672
  145   1HB   ARG  18          1HB       ARG  18  -5.031  -1.200   7.379
  146   2HB   ARG  18          2HB       ARG  18  -5.961  -1.394   5.900
  147   1HG   ARG  18          1HG       ARG  18  -7.832  -2.268   7.123
  148   2HG   ARG  18          2HG       ARG  18  -6.898  -2.278   8.620
  149   1HD   ARG  18          1HD       ARG  18  -6.678   0.181   8.448
  150   2HD   ARG  18          2HD       ARG  18  -7.711   0.146   7.021
  151    HE   ARG  18           HE       ARG  18  -9.326  -1.006   8.729
  152   1HH1  ARG  18          1HH1      ARG  18  -7.200   1.699   9.278
  153   2HH1  ARG  18          2HH1      ARG  18  -8.204   2.405  10.500
  154   1HH2  ARG  18          1HH2      ARG  18 -10.652  -0.086  10.340
  155   2HH2  ARG  18          2HH2      ARG  18 -10.165   1.391  11.104
  156    H    GLY  19           H        GLY  19  -4.913  -3.750   4.264
  157   1HA   GLY  19          1HA       GLY  19  -7.077  -5.716   4.151
  158   2HA   GLY  19          2HA       GLY  19  -7.192  -4.315   3.093
  159    H    THR  20           H        THR  20  -5.048  -6.991   3.979
  160    HA   THR  20           HA       THR  20  -3.130  -6.870   2.060
  161    HB   THR  20           HB       THR  20  -2.920  -9.304   2.183
  162    HG1  THR  20           1HG      THR  20  -5.319  -9.592   2.220
  163   1HG2  THR  20          1HG2      THR  20  -3.647  -8.103   4.858
  164   2HG2  THR  20          2HG2      THR  20  -2.087  -7.936   4.052
  165   3HG2  THR  20          3HG2      THR  20  -2.634  -9.523   4.594
  166    H    CYS  21           H        CYS  21  -2.909  -7.240  -0.057
  167    HA   CYS  21           HA       CYS  21  -5.346  -7.668  -1.611
  168   1HB   CYS  21          1HB       CYS  21  -3.970  -5.713  -2.152
  169   2HB   CYS  21          2HB       CYS  21  -2.587  -6.756  -2.455
  170    H    GLY  22           H        GLY  22  -2.593  -9.351  -0.553
  171   1HA   GLY  22          1HA       GLY  22  -3.379 -11.761  -1.821
  172   2HA   GLY  22          2HA       GLY  22  -2.006 -11.063  -2.667
  173    H    ILE  23           H        ILE  23  -0.780 -12.927  -2.069
  174    HA   ILE  23           HA       ILE  23  -0.276 -13.453   0.724
  175    HB   ILE  23           HB       ILE  23   1.151 -14.555  -1.699
  176   1HG1  ILE  23          1HG1      ILE  23  -1.242 -15.090  -1.759
  177   2HG1  ILE  23          2HG1      ILE  23  -0.288 -16.531  -1.423
  178   1HG2  ILE  23          1HG2      ILE  23   2.458 -14.781   0.327
  179   2HG2  ILE  23          2HG2      ILE  23   1.845 -16.356  -0.177
  180   3HG2  ILE  23          3HG2      ILE  23   1.081 -15.500   1.163
  181   1HD1  ILE  23          1HD1      ILE  23  -2.279 -16.484  -0.058
  182   2HD1  ILE  23          2HD1      ILE  23  -1.827 -14.908   0.590
  183   3HD1  ILE  23          3HD1      ILE  23  -0.844 -16.327   0.954
  184    H    ARG  24           H        ARG  24   1.820 -12.523  -2.011
  185    HA   ARG  24           HA       ARG  24   3.748 -11.416  -0.114
  186   1HB   ARG  24          1HB       ARG  24   5.281 -11.293  -2.023
  187   2HB   ARG  24          2HB       ARG  24   4.630 -12.914  -1.837
  188   1HG   ARG  24          1HG       ARG  24   3.300 -11.017  -3.712
  189   2HG   ARG  24          2HG       ARG  24   4.801 -11.810  -4.193
  190   1HD   ARG  24          1HD       ARG  24   2.280 -13.195  -3.280
  191   2HD   ARG  24          2HD       ARG  24   2.839 -13.061  -4.946
  192    HE   ARG  24           HE       ARG  24   4.894 -14.228  -3.501
  193   1HH1  ARG  24          1HH1      ARG  24   1.597 -14.968  -4.350
  194   2HH1  ARG  24          2HH1      ARG  24   1.843 -16.683  -4.338
  195   1HH2  ARG  24          1HH2      ARG  24   5.228 -16.482  -3.482
  196   2HH2  ARG  24          2HH2      ARG  24   3.908 -17.544  -3.840
  197    H    PHE  25           H        PHE  25   1.086 -10.369  -1.653
  198    HA   PHE  25           HA       PHE  25   2.093  -7.781  -2.509
  199   1HB   PHE  25          1HB       PHE  25  -0.695  -8.954  -2.493
  200   2HB   PHE  25          2HB       PHE  25  -0.294  -7.356  -3.113
  201    HD1  PHE  25           1HD      PHE  25   0.285 -10.974  -3.600
  202    HD2  PHE  25           2HD      PHE  25   0.570  -7.075  -5.278
  203    HE1  PHE  25           1HE      PHE  25   0.800 -11.961  -5.794
  204    HE2  PHE  25           2HE      PHE  25   1.084  -8.053  -7.476
  205    HZ   PHE  25           HZ       PHE  25   1.199 -10.500  -7.736
  206    H    LEU  26           H        LEU  26   0.434  -5.919  -1.836
  207    HA   LEU  26           HA       LEU  26  -0.480  -6.031   0.877
  208   1HB   LEU  26          1HB       LEU  26   1.014  -4.437   1.849
  209   2HB   LEU  26          2HB       LEU  26   1.966  -5.750   1.186
  210    HG   LEU  26           HG       LEU  26   1.548  -3.151  -0.277
  211   1HD1  LEU  26          1HD1      LEU  26   2.604  -2.677   1.868
  212   2HD1  LEU  26          2HD1      LEU  26   3.748  -2.478   0.541
  213   3HD1  LEU  26          3HD1      LEU  26   3.816  -3.919   1.555
  214   1HD2  LEU  26          1HD2      LEU  26   3.570  -3.862  -1.480
  215   2HD2  LEU  26          2HD2      LEU  26   2.255  -5.023  -1.658
  216   3HD2  LEU  26          3HD2      LEU  26   3.585  -5.361  -0.552
  217    H    TYR  27           H        TYR  27  -1.058  -3.677   1.614
  218    HA   TYR  27           HA       TYR  27  -2.352  -2.410  -0.704
  219   1HB   TYR  27          1HB       TYR  27  -3.474  -3.384   1.633
  220   2HB   TYR  27          2HB       TYR  27  -3.396  -1.648   1.908
  221    HD1  TYR  27           1HD      TYR  27  -5.356  -0.535   1.394
  222    HD2  TYR  27           2HD      TYR  27  -4.221  -3.889  -0.966
  223    HE1  TYR  27           1HE      TYR  27  -7.368  -0.239   0.016
  224    HE2  TYR  27           2HE      TYR  27  -6.229  -3.598  -2.354
  225    HH   TYR  27           HH       TYR  27  -8.135  -0.813  -2.275
  226    H    CYS  28           H        CYS  28  -1.753  -0.436  -1.264
  227    HA   CYS  28           HA       CYS  28  -0.323   1.205   0.721
  228   1HB   CYS  28          1HB       CYS  28   1.238   0.389  -0.970
  229   2HB   CYS  28          2HB       CYS  28   0.208   1.022  -2.251
  230    H    CYS  29           H        CYS  29  -1.641   2.783   1.315
  231    HA   CYS  29           HA       CYS  29  -3.150   4.196  -0.782
  232   1HB   CYS  29          1HB       CYS  29  -4.311   2.783   1.192
  233   2HB   CYS  29          2HB       CYS  29  -4.120   4.325   2.018
  234    HA   PRO  30           HA       PRO  30  -0.627   7.662   0.477
  235   1HB   PRO  30          1HB       PRO  30  -2.121   9.628  -0.708
  236   2HB   PRO  30          2HB       PRO  30  -0.967   8.609  -1.576
  237   1HG   PRO  30          1HG       PRO  30  -3.941   8.353  -1.370
  238   2HG   PRO  30          2HG       PRO  30  -2.895   8.148  -2.787
  239   1HD   PRO  30          1HD       PRO  30  -3.866   6.041  -1.428
  240   2HD   PRO  30          2HD       PRO  30  -2.247   6.017  -2.158
  241    H    ARG  31           H        ARG  31  -0.633   8.548   2.431
  242    HA   ARG  31           HA       ARG  31  -2.945   8.755   4.041
  243   1HB   ARG  31          1HB       ARG  31  -0.181   9.930   4.364
  244   2HB   ARG  31          2HB       ARG  31  -1.434  10.037   5.593
  245   1HG   ARG  31          1HG       ARG  31  -1.512   7.572   5.680
  246   2HG   ARG  31          2HG       ARG  31  -0.185   7.516   4.519
  247   1HD   ARG  31          1HD       ARG  31   1.281   8.639   6.061
  248   2HD   ARG  31          2HD       ARG  31  -0.046   8.902   7.192
  249    HE   ARG  31           HE       ARG  31   0.472   6.133   6.573
  250   1HH1  ARG  31          1HH1      ARG  31   1.223   8.816   8.668
  251   2HH1  ARG  31          2HH1      ARG  31   1.761   7.812   9.973
  252   1HH2  ARG  31          1HH2      ARG  31   1.176   4.806   8.286
  253   2HH2  ARG  31          2HH2      ARG  31   1.737   5.533   9.754
  254    H    ARG  32           H        ARG  32  -4.491  10.022   3.067
  255    HA   ARG  32           HA       ARG  32  -3.825  12.769   2.364
  256   1HB   ARG  32          1HB       ARG  32  -6.214  12.857   1.579
  257   2HB   ARG  32          2HB       ARG  32  -5.200  11.686   0.751
  258   1HG   ARG  32          1HG       ARG  32  -6.180   9.878   2.005
  259   2HG   ARG  32          2HG       ARG  32  -7.107  11.014   2.985
  260   1HD   ARG  32          1HD       ARG  32  -7.384  10.563   0.016
  261   2HD   ARG  32          2HD       ARG  32  -8.508  10.025   1.265
  262    HE   ARG  32           HE       ARG  32  -8.545  12.626   1.707
  263   1HH1  ARG  32          1HH1      ARG  32  -8.585  10.918  -1.332
  264   2HH1  ARG  32          2HH1      ARG  32  -9.516  12.129  -2.147
  265   1HH2  ARG  32          1HH2      ARG  32  -9.769  14.224   0.641
  266   2HH2  ARG  32          2HH2      ARG  32 -10.188  14.010  -1.027
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -8.626  12.858  -2.329
    2   2H    GLY   1          2H        GLY   1  -9.003  11.959  -0.947
    3   3H    GLY   1          3H        GLY   1  -9.631  11.502  -2.449
    4   1HA   GLY   1          1HA       GLY   1  -7.422  10.984  -3.263
    5   2HA   GLY   1          2HA       GLY   1  -6.754  11.483  -1.716
    6    H    LEU   2           H        LEU   2  -9.332   9.328  -2.913
    7    HA   LEU   2           HA       LEU   2  -8.473   7.354  -0.906
    8   1HB   LEU   2          1HB       LEU   2 -11.136   7.536  -2.317
    9   2HB   LEU   2          2HB       LEU   2 -10.713   6.426  -1.027
   10    HG   LEU   2           HG       LEU   2 -10.884   9.428  -0.741
   11   1HD1  LEU   2          1HD1      LEU   2 -12.766   7.274   0.214
   12   2HD1  LEU   2          2HD1      LEU   2 -13.072   8.395  -1.111
   13   3HD1  LEU   2          3HD1      LEU   2 -12.911   9.002   0.536
   14   1HD2  LEU   2          1HD2      LEU   2  -9.263   8.428   0.782
   15   2HD2  LEU   2          2HD2      LEU   2 -10.473   7.262   1.320
   16   3HD2  LEU   2          3HD2      LEU   2 -10.692   8.979   1.657
   17    H    LEU   3           H        LEU   3  -7.044   7.592  -3.296
   18    HA   LEU   3           HA       LEU   3  -7.924   5.277  -4.880
   19   1HB   LEU   3          1HB       LEU   3  -5.949   7.471  -5.508
   20   2HB   LEU   3          2HB       LEU   3  -6.225   6.080  -6.536
   21    HG   LEU   3           HG       LEU   3  -8.670   6.838  -6.630
   22   1HD1  LEU   3          1HD1      LEU   3  -7.403   9.360  -5.572
   23   2HD1  LEU   3          2HD1      LEU   3  -8.649   8.393  -4.781
   24   3HD1  LEU   3          3HD1      LEU   3  -9.015   9.250  -6.278
   25   1HD2  LEU   3          1HD2      LEU   3  -6.504   8.528  -7.871
   26   2HD2  LEU   3          2HD2      LEU   3  -8.181   8.454  -8.414
   27   3HD2  LEU   3          3HD2      LEU   3  -7.158   7.021  -8.515
   28    H    CYS   4           H        CYS   4  -7.187   3.600  -3.602
   29    HA   CYS   4           HA       CYS   4  -4.397   3.553  -2.779
   30   1HB   CYS   4          1HB       CYS   4  -6.513   1.427  -2.399
   31   2HB   CYS   4          2HB       CYS   4  -4.968   1.543  -1.563
   32    H    TYR   5           H        TYR   5  -2.865   2.086  -3.513
   33    HA   TYR   5           HA       TYR   5  -3.600   0.580  -5.937
   34   1HB   TYR   5          1HB       TYR   5  -0.975   1.975  -5.372
   35   2HB   TYR   5          2HB       TYR   5  -1.351   1.036  -6.813
   36    HD1  TYR   5           1HD      TYR   5  -3.631   1.864  -8.010
   37    HD2  TYR   5           2HD      TYR   5  -1.098   4.262  -5.574
   38    HE1  TYR   5           1HE      TYR   5  -4.506   3.886  -9.101
   39    HE2  TYR   5           2HE      TYR   5  -1.967   6.291  -6.658
   40    HH   TYR   5           HH       TYR   5  -3.046   6.915  -8.804
   41    H    CYS   6           H        CYS   6  -2.518  -1.387  -6.316
   42    HA   CYS   6           HA       CYS   6  -1.653  -2.722  -3.874
   43   1HB   CYS   6          1HB       CYS   6  -3.241  -4.024  -4.984
   44   2HB   CYS   6          2HB       CYS   6  -2.578  -3.654  -6.572
   45    H    ARG   7           H        ARG   7   0.345  -3.549  -3.524
   46    HA   ARG   7           HA       ARG   7   2.303  -3.510  -5.695
   47   1HB   ARG   7          1HB       ARG   7   2.672  -2.104  -3.046
   48   2HB   ARG   7          2HB       ARG   7   3.982  -2.438  -4.172
   49   1HG   ARG   7          1HG       ARG   7   2.723  -1.117  -5.887
   50   2HG   ARG   7          2HG       ARG   7   1.604  -0.649  -4.606
   51   1HD   ARG   7          1HD       ARG   7   3.475   0.321  -3.347
   52   2HD   ARG   7          2HD       ARG   7   4.574  -0.125  -4.651
   53    HE   ARG   7           HE       ARG   7   2.317   1.633  -5.264
   54   1HH1  ARG   7          1HH1      ARG   7   5.744   1.196  -4.814
   55   2HH1  ARG   7          2HH1      ARG   7   6.166   2.690  -5.582
   56   1HH2  ARG   7          1HH2      ARG   7   2.862   3.602  -6.279
   57   2HH2  ARG   7          2HH2      ARG   7   4.527   4.057  -6.416
   58    H    LYS   8           H        LYS   8   4.386  -4.594  -4.991
   59    HA   LYS   8           HA       LYS   8   3.761  -6.785  -3.122
   60   1HB   LYS   8          1HB       LYS   8   3.832  -7.541  -5.462
   61   2HB   LYS   8          2HB       LYS   8   5.464  -6.907  -5.618
   62   1HG   LYS   8          1HG       LYS   8   6.213  -8.482  -3.878
   63   2HG   LYS   8          2HG       LYS   8   4.582  -9.150  -3.814
   64   1HD   LYS   8          1HD       LYS   8   4.753  -9.778  -6.178
   65   2HD   LYS   8          2HD       LYS   8   6.390  -9.119  -6.231
   66   1HE   LYS   8          1HE       LYS   8   5.449 -11.411  -4.509
   67   2HE   LYS   8          2HE       LYS   8   6.424 -11.546  -5.970
   68   1HZ   LYS   8          1HZ       LYS   8   8.169 -10.276  -4.869
   69   2HZ   LYS   8          2HZ       LYS   8   7.797 -11.676  -3.998
   70   3HZ   LYS   8          3HZ       LYS   8   7.233 -10.174  -3.463
   71    H    GLY   9           H        GLY   9   4.983  -6.797  -1.367
   72   1HA   GLY   9          1HA       GLY   9   7.116  -7.012  -0.318
   73   2HA   GLY   9          2HA       GLY   9   7.810  -6.034  -1.600
   74    H    HIS  10           H        HIS  10   7.280  -3.732  -1.621
   75    HA   HIS  10           HA       HIS  10   6.193  -2.581   0.802
   76   1HB   HIS  10          1HB       HIS  10   8.733  -3.182   1.092
   77   2HB   HIS  10          2HB       HIS  10   8.987  -1.747   0.106
   78    HD1  HIS  10           1HD      HIS  10   7.523  -2.799   3.420
   79    HD2  HIS  10           2HD      HIS  10   8.760   0.641   1.446
   80    HE1  HIS  10           1HE      HIS  10   7.494  -0.981   5.158
   81    HE2  HIS  10           2HE      HIS  10   8.299   1.081   3.953
   82    H    CYS  11           H        CYS  11   5.251  -0.655   0.376
   83    HA   CYS  11           HA       CYS  11   5.191   0.297  -2.309
   84   1HB   CYS  11          1HB       CYS  11   3.262   0.427  -0.712
   85   2HB   CYS  11          2HB       CYS  11   4.128   1.686   0.158
   86    H    LYS  12           H        LYS  12   5.457   2.748  -2.701
   87    HA   LYS  12           HA       LYS  12   8.202   3.366  -2.235
   88   1HB   LYS  12          1HB       LYS  12   7.746   5.405  -3.537
   89   2HB   LYS  12          2HB       LYS  12   7.161   3.957  -4.344
   90   1HG   LYS  12          1HG       LYS  12   4.888   4.458  -3.540
   91   2HG   LYS  12          2HG       LYS  12   5.499   5.946  -2.811
   92   1HD   LYS  12          1HD       LYS  12   6.216   6.725  -5.026
   93   2HD   LYS  12          2HD       LYS  12   5.573   5.247  -5.746
   94   1HE   LYS  12          1HE       LYS  12   4.016   7.117  -5.996
   95   2HE   LYS  12          2HE       LYS  12   3.334   5.836  -4.994
   96   1HZ   LYS  12          1HZ       LYS  12   2.909   8.015  -4.048
   97   2HZ   LYS  12          2HZ       LYS  12   4.568   8.345  -3.990
   98   3HZ   LYS  12          3HZ       LYS  12   3.916   7.117  -3.028
   99    H    ARG  13           H        ARG  13   5.147   4.660  -1.017
  100    HA   ARG  13           HA       ARG  13   6.324   5.529   1.400
  101   1HB   ARG  13          1HB       ARG  13   5.987   7.982   1.051
  102   2HB   ARG  13          2HB       ARG  13   7.304   7.294   0.120
  103   1HG   ARG  13          1HG       ARG  13   5.929   7.269  -1.869
  104   2HG   ARG  13          2HG       ARG  13   4.551   7.877  -0.949
  105   1HD   ARG  13          1HD       ARG  13   7.170   9.319  -1.332
  106   2HD   ARG  13          2HD       ARG  13   5.692   9.639  -2.238
  107    HE   ARG  13           HE       ARG  13   4.814  10.005   0.227
  108   1HH1  ARG  13          1HH1      ARG  13   7.793  11.070  -1.237
  109   2HH1  ARG  13          2HH1      ARG  13   7.928  12.478  -0.239
  110   1HH2  ARG  13          1HH2      ARG  13   4.987  11.854   1.544
  111   2HH2  ARG  13          2HH2      ARG  13   6.335  12.924   1.343
  112    H    GLY  14           H        GLY  14   4.264   3.980   1.282
  113   1HA   GLY  14          1HA       GLY  14   2.208   5.296   2.649
  114   2HA   GLY  14          2HA       GLY  14   1.710   5.136   0.971
  115    H    GLU  15           H        GLU  15   3.719   2.830   2.684
  116    HA   GLU  15           HA       GLU  15   2.223   0.604   1.888
  117   1HB   GLU  15          1HB       GLU  15   3.909   0.609   4.375
  118   2HB   GLU  15          2HB       GLU  15   3.663  -0.691   3.219
  119   1HG   GLU  15          1HG       GLU  15   5.770  -0.040   2.653
  120   2HG   GLU  15          2HG       GLU  15   4.829   0.979   1.572
  121    H    ARG  16           H        ARG  16   0.715  -0.678   2.937
  122    HA   ARG  16           HA       ARG  16  -0.188  -0.051   5.591
  123   1HB   ARG  16          1HB       ARG  16  -1.250   1.670   3.994
  124   2HB   ARG  16          2HB       ARG  16  -2.217   0.327   3.402
  125   1HG   ARG  16          1HG       ARG  16  -3.549   1.398   5.001
  126   2HG   ARG  16          2HG       ARG  16  -2.921  -0.039   5.811
  127   1HD   ARG  16          1HD       ARG  16  -1.543   2.618   6.024
  128   2HD   ARG  16          2HD       ARG  16  -2.878   2.185   7.092
  129    HE   ARG  16           HE       ARG  16  -0.931   0.139   7.089
  130   1HH1  ARG  16          1HH1      ARG  16  -1.484   3.375   8.258
  131   2HH1  ARG  16          2HH1      ARG  16  -0.436   3.197   9.626
  132   1HH2  ARG  16          1HH2      ARG  16   0.448  -0.104   8.887
  133   2HH2  ARG  16          2HH2      ARG  16   0.663   1.220   9.983
  134    H    VAL  17           H        VAL  17  -1.883  -1.487   6.330
  135    HA   VAL  17           HA       VAL  17  -2.216  -3.900   4.681
  136    HB   VAL  17           HB       VAL  17  -1.788  -4.054   7.660
  137   1HG1  VAL  17          1HG1      VAL  17  -1.541  -6.095   5.452
  138   2HG1  VAL  17          2HG1      VAL  17  -2.873  -5.965   6.601
  139   3HG1  VAL  17          3HG1      VAL  17  -1.258  -6.393   7.167
  140   1HG2  VAL  17          1HG2      VAL  17   0.305  -4.281   5.501
  141   2HG2  VAL  17          2HG2      VAL  17   0.538  -4.735   7.188
  142   3HG2  VAL  17          3HG2      VAL  17   0.221  -3.053   6.764
  143    H    ARG  18           H        ARG  18  -4.092  -1.924   4.783
  144    HA   ARG  18           HA       ARG  18  -6.049  -2.360   6.832
  145   1HB   ARG  18          1HB       ARG  18  -5.912  -0.210   5.668
  146   2HB   ARG  18          2HB       ARG  18  -6.273  -0.996   4.137
  147   1HG   ARG  18          1HG       ARG  18  -8.486  -1.632   5.013
  148   2HG   ARG  18          2HG       ARG  18  -8.118  -0.767   6.507
  149   1HD   ARG  18          1HD       ARG  18  -7.900   1.316   5.273
  150   2HD   ARG  18          2HD       ARG  18  -8.194   0.467   3.756
  151    HE   ARG  18           HE       ARG  18 -10.308   0.141   5.669
  152   1HH1  ARG  18          1HH1      ARG  18  -9.020   2.187   3.159
  153   2HH1  ARG  18          2HH1      ARG  18 -10.544   2.923   2.797
  154   1HH2  ARG  18          1HH2      ARG  18 -12.322   1.107   5.200
  155   2HH2  ARG  18          2HH2      ARG  18 -12.422   2.310   3.958
  156    H    GLY  19           H        GLY  19  -5.347  -3.603   3.682
  157   1HA   GLY  19          1HA       GLY  19  -7.430  -5.642   4.039
  158   2HA   GLY  19          2HA       GLY  19  -7.317  -4.777   2.510
  159    H    THR  20           H        THR  20  -6.256  -5.842   0.987
  160    HA   THR  20           HA       THR  20  -3.659  -6.813   1.248
  161    HB   THR  20           HB       THR  20  -4.494  -8.595   2.624
  162    HG1  THR  20           1HG      THR  20  -3.002  -9.519   1.372
  163   1HG2  THR  20          1HG2      THR  20  -6.847  -8.511   1.977
  164   2HG2  THR  20          2HG2      THR  20  -6.222 -10.156   1.844
  165   3HG2  THR  20          3HG2      THR  20  -6.446  -9.178   0.395
  166    H    CYS  21           H        CYS  21  -2.965  -8.094  -0.679
  167    HA   CYS  21           HA       CYS  21  -4.762  -7.723  -2.975
  168   1HB   CYS  21          1HB       CYS  21  -3.159  -5.858  -2.922
  169   2HB   CYS  21          2HB       CYS  21  -1.824  -7.005  -2.903
  170    H    GLY  22           H        GLY  22  -2.619  -9.677  -1.236
  171   1HA   GLY  22          1HA       GLY  22  -3.112 -11.962  -2.805
  172   2HA   GLY  22          2HA       GLY  22  -1.527 -11.328  -3.220
  173    H    ILE  23           H        ILE  23  -0.623 -13.303  -2.411
  174    HA   ILE  23           HA       ILE  23  -0.962 -14.139   0.279
  175    HB   ILE  23           HB       ILE  23   1.342 -14.737  -1.582
  176   1HG1  ILE  23          1HG1      ILE  23  -1.174 -16.340  -1.078
  177   2HG1  ILE  23          2HG1      ILE  23  -0.907 -15.331  -2.495
  178   1HG2  ILE  23          1HG2      ILE  23   0.368 -16.157   0.894
  179   2HG2  ILE  23          2HG2      ILE  23   1.864 -15.237   0.735
  180   3HG2  ILE  23          3HG2      ILE  23   1.647 -16.732  -0.176
  181   1HD1  ILE  23          1HD1      ILE  23   0.723 -17.735  -1.712
  182   2HD1  ILE  23          2HD1      ILE  23   0.984 -16.727  -3.135
  183   3HD1  ILE  23          3HD1      ILE  23  -0.496 -17.671  -2.983
  184    H    ARG  24           H        ARG  24   1.845 -12.626  -1.325
  185    HA   ARG  24           HA       ARG  24   2.702 -11.619   1.302
  186   1HB   ARG  24          1HB       ARG  24   4.949 -11.408   0.312
  187   2HB   ARG  24          2HB       ARG  24   4.354 -13.061   0.249
  188   1HG   ARG  24          1HG       ARG  24   3.967 -11.272  -2.104
  189   2HG   ARG  24          2HG       ARG  24   5.543 -12.008  -1.813
  190   1HD   ARG  24          1HD       ARG  24   4.576 -14.214  -1.878
  191   2HD   ARG  24          2HD       ARG  24   2.951 -13.540  -1.996
  192    HE   ARG  24           HE       ARG  24   4.173 -12.505  -4.159
  193   1HH1  ARG  24          1HH1      ARG  24   3.941 -15.754  -2.920
  194   2HH1  ARG  24          2HH1      ARG  24   4.015 -16.492  -4.484
  195   1HH2  ARG  24          1HH2      ARG  24   4.270 -13.468  -6.220
  196   2HH2  ARG  24          2HH2      ARG  24   4.203 -15.193  -6.360
  197    H    PHE  25           H        PHE  25   0.997 -10.609  -1.246
  198    HA   PHE  25           HA       PHE  25   2.250  -8.099  -1.824
  199   1HB   PHE  25          1HB       PHE  25  -0.542  -9.117  -2.382
  200   2HB   PHE  25          2HB       PHE  25   0.088  -7.583  -2.971
  201    HD1  PHE  25           1HD      PHE  25   1.307  -7.480  -4.955
  202    HD2  PHE  25           2HD      PHE  25   0.647 -11.249  -3.089
  203    HE1  PHE  25           1HE      PHE  25   2.227  -8.617  -6.933
  204    HE2  PHE  25           2HE      PHE  25   1.568 -12.392  -5.064
  205    HZ   PHE  25           HZ       PHE  25   2.360 -11.076  -6.989
  206    H    LEU  26           H        LEU  26   1.501  -6.017  -1.239
  207    HA   LEU  26           HA       LEU  26  -0.163  -5.954   1.192
  208   1HB   LEU  26          1HB       LEU  26   2.163  -4.116   0.614
  209   2HB   LEU  26          2HB       LEU  26   1.205  -4.175   2.079
  210    HG   LEU  26           HG       LEU  26   2.086  -6.615   2.260
  211   1HD1  LEU  26          1HD1      LEU  26   3.113  -6.767   0.081
  212   2HD1  LEU  26          2HD1      LEU  26   4.354  -6.871   1.329
  213   3HD1  LEU  26          3HD1      LEU  26   4.131  -5.370   0.430
  214   1HD2  LEU  26          1HD2      LEU  26   3.856  -4.225   2.752
  215   2HD2  LEU  26          2HD2      LEU  26   4.048  -5.813   3.494
  216   3HD2  LEU  26          3HD2      LEU  26   2.613  -4.846   3.838
  217    H    TYR  27           H        TYR  27  -1.077  -3.732   1.616
  218    HA   TYR  27           HA       TYR  27  -2.002  -2.629  -0.946
  219   1HB   TYR  27          1HB       TYR  27  -3.459  -3.605   1.195
  220   2HB   TYR  27          2HB       TYR  27  -3.551  -1.858   1.400
  221    HD1  TYR  27           1HD      TYR  27  -5.183  -0.683   0.242
  222    HD2  TYR  27           2HD      TYR  27  -3.933  -4.477  -1.224
  223    HE1  TYR  27           1HE      TYR  27  -6.913  -0.572  -1.501
  224    HE2  TYR  27           2HE      TYR  27  -5.662  -4.375  -2.972
  225    HH   TYR  27           HH       TYR  27  -7.840  -3.242  -3.347
  226    H    CYS  28           H        CYS  28  -1.397  -0.672  -1.498
  227    HA   CYS  28           HA       CYS  28  -0.341   1.126   0.582
  228   1HB   CYS  28          1HB       CYS  28   1.295   0.425  -1.147
  229   2HB   CYS  28          2HB       CYS  28   0.254   1.115  -2.387
  230    H    CYS  29           H        CYS  29  -0.831   3.397   0.402
  231    HA   CYS  29           HA       CYS  29  -2.774   4.311  -1.489
  232   1HB   CYS  29          1HB       CYS  29  -3.987   2.918   0.386
  233   2HB   CYS  29          2HB       CYS  29  -3.781   4.391   1.326
  234    HA   PRO  30           HA       PRO  30  -0.620   8.074  -0.471
  235   1HB   PRO  30          1HB       PRO  30  -3.074   9.404  -1.475
  236   2HB   PRO  30          2HB       PRO  30  -1.397   9.595  -1.997
  237   1HG   PRO  30          1HG       PRO  30  -3.153   8.266  -3.498
  238   2HG   PRO  30          2HG       PRO  30  -1.470   7.722  -3.359
  239   1HD   PRO  30          1HD       PRO  30  -3.928   6.643  -2.037
  240   2HD   PRO  30          2HD       PRO  30  -2.536   5.773  -2.713
  241    H    ARG  31           H        ARG  31  -0.483   9.170   1.377
  242    HA   ARG  31           HA       ARG  31  -2.727   9.155   3.217
  243   1HB   ARG  31          1HB       ARG  31  -0.491   8.571   4.033
  244   2HB   ARG  31          2HB       ARG  31   0.108  10.152   3.552
  245   1HG   ARG  31          1HG       ARG  31  -1.426  11.200   5.164
  246   2HG   ARG  31          2HG       ARG  31  -1.954   9.596   5.675
  247   1HD   ARG  31          1HD       ARG  31   0.866  10.657   5.837
  248   2HD   ARG  31          2HD       ARG  31  -0.262  10.530   7.187
  249    HE   ARG  31           HE       ARG  31  -0.204   8.073   6.773
  250   1HH1  ARG  31          1HH1      ARG  31   2.432  10.096   5.716
  251   2HH1  ARG  31          2HH1      ARG  31   3.605   8.825   5.789
  252   1HH2  ARG  31          1HH2      ARG  31   1.337   6.396   6.873
  253   2HH2  ARG  31          2HH2      ARG  31   2.984   6.723   6.449
  254    H    ARG  32           H        ARG  32  -0.739  11.488   1.464
  255    HA   ARG  32           HA       ARG  32  -2.855  13.415   1.460
  256   1HB   ARG  32          1HB       ARG  32  -1.990  13.846   3.696
  257   2HB   ARG  32          2HB       ARG  32  -0.359  14.008   3.062
  258   1HG   ARG  32          1HG       ARG  32  -1.266  16.185   3.517
  259   2HG   ARG  32          2HG       ARG  32  -1.083  15.980   1.774
  260   1HD   ARG  32          1HD       ARG  32  -3.204  17.046   2.279
  261   2HD   ARG  32          2HD       ARG  32  -3.471  15.441   1.598
  262    HE   ARG  32           HE       ARG  32  -3.473  15.077   4.316
  263   1HH1  ARG  32          1HH1      ARG  32  -5.286  17.012   2.055
  264   2HH1  ARG  32          2HH1      ARG  32  -6.731  17.006   3.010
  265   1HH2  ARG  32          1HH2      ARG  32  -5.371  15.066   5.581
  266   2HH2  ARG  32          2HH2      ARG  32  -6.779  15.901   5.015
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  -9.341  13.113  -4.985
    2   2H    GLY   1          2H        GLY   1  -7.852  12.942  -4.202
    3   3H    GLY   1          3H        GLY   1  -9.079  13.865  -3.491
    4   1HA   GLY   1          1HA       GLY   1  -8.914  11.736  -2.389
    5   2HA   GLY   1          2HA       GLY   1 -10.453  11.899  -3.222
    6    H    LEU   2           H        LEU   2  -7.219  10.500  -3.468
    7    HA   LEU   2           HA       LEU   2  -8.196   8.628  -5.504
    8   1HB   LEU   2          1HB       LEU   2  -5.414   9.322  -4.572
    9   2HB   LEU   2          2HB       LEU   2  -5.755   8.011  -5.685
   10    HG   LEU   2           HG       LEU   2  -6.842   9.769  -7.187
   11   1HD1  LEU   2          1HD1      LEU   2  -6.012  12.065  -6.877
   12   2HD1  LEU   2          2HD1      LEU   2  -5.329  11.591  -5.322
   13   3HD1  LEU   2          3HD1      LEU   2  -7.075  11.551  -5.567
   14   1HD2  LEU   2          1HD2      LEU   2  -4.701   8.741  -7.698
   15   2HD2  LEU   2          2HD2      LEU   2  -3.877   9.895  -6.648
   16   3HD2  LEU   2          3HD2      LEU   2  -4.677  10.455  -8.117
   17    H    LEU   3           H        LEU   3  -7.993   6.390  -5.255
   18    HA   LEU   3           HA       LEU   3  -8.149   5.490  -2.503
   19   1HB   LEU   3          1HB       LEU   3  -8.582   4.099  -5.142
   20   2HB   LEU   3          2HB       LEU   3  -8.657   3.263  -3.604
   21    HG   LEU   3           HG       LEU   3 -10.891   3.752  -4.339
   22   1HD1  LEU   3          1HD1      LEU   3 -10.349   3.960  -1.917
   23   2HD1  LEU   3          2HD1      LEU   3 -11.754   4.895  -2.432
   24   3HD1  LEU   3          3HD1      LEU   3 -10.213   5.704  -2.150
   25   1HD2  LEU   3          1HD2      LEU   3 -10.380   5.610  -5.838
   26   2HD2  LEU   3          2HD2      LEU   3 -10.057   6.648  -4.447
   27   3HD2  LEU   3          3HD2      LEU   3 -11.683   6.022  -4.723
   28    H    CYS   4           H        CYS   4  -7.103   3.222  -2.112
   29    HA   CYS   4           HA       CYS   4  -4.292   3.599  -2.212
   30   1HB   CYS   4          1HB       CYS   4  -5.571   0.946  -1.622
   31   2HB   CYS   4          2HB       CYS   4  -4.119   1.657  -0.924
   32    H    TYR   5           H        TYR   5  -3.019   1.372  -2.846
   33    HA   TYR   5           HA       TYR   5  -3.900   0.444  -5.465
   34   1HB   TYR   5          1HB       TYR   5  -1.266   1.864  -5.025
   35   2HB   TYR   5          2HB       TYR   5  -1.700   0.990  -6.489
   36    HD1  TYR   5           1HD      TYR   5  -1.927   4.098  -4.707
   37    HD2  TYR   5           2HD      TYR   5  -3.672   1.819  -7.847
   38    HE1  TYR   5           1HE      TYR   5  -2.968   6.139  -5.602
   39    HE2  TYR   5           2HE      TYR   5  -4.716   3.854  -8.751
   40    HH   TYR   5           HH       TYR   5  -3.852   6.977  -7.721
   41    H    CYS   6           H        CYS   6  -3.274  -1.594  -5.918
   42    HA   CYS   6           HA       CYS   6  -2.032  -3.130  -3.835
   43   1HB   CYS   6          1HB       CYS   6  -3.765  -4.246  -4.977
   44   2HB   CYS   6          2HB       CYS   6  -3.140  -3.787  -6.556
   45    H    ARG   7           H        ARG   7   0.026  -3.741  -3.653
   46    HA   ARG   7           HA       ARG   7   1.778  -3.607  -5.995
   47   1HB   ARG   7          1HB       ARG   7   2.031  -2.012  -3.495
   48   2HB   ARG   7          2HB       ARG   7   3.508  -2.646  -4.209
   49   1HG   ARG   7          1HG       ARG   7   3.473  -1.162  -5.873
   50   2HG   ARG   7          2HG       ARG   7   1.743  -1.369  -6.145
   51   1HD   ARG   7          1HD       ARG   7   1.200   0.168  -4.420
   52   2HD   ARG   7          2HD       ARG   7   2.861   0.193  -3.829
   53    HE   ARG   7           HE       ARG   7   3.335   1.790  -5.387
   54   1HH1  ARG   7          1HH1      ARG   7   0.419   0.145  -6.354
   55   2HH1  ARG   7          2HH1      ARG   7   0.110   1.208  -7.684
   56   1HH2  ARG   7          1HH2      ARG   7   2.930   3.197  -7.133
   57   2HH2  ARG   7          2HH2      ARG   7   1.534   2.943  -8.125
   58    H    LYS   8           H        LYS   8   4.012  -4.529  -5.397
   59    HA   LYS   8           HA       LYS   8   3.622  -6.869  -3.646
   60   1HB   LYS   8          1HB       LYS   8   3.667  -7.539  -5.985
   61   2HB   LYS   8          2HB       LYS   8   5.177  -6.675  -6.232
   62   1HG   LYS   8          1HG       LYS   8   6.279  -8.203  -4.645
   63   2HG   LYS   8          2HG       LYS   8   4.765  -9.096  -4.488
   64   1HD   LYS   8          1HD       LYS   8   4.814  -9.610  -6.875
   65   2HD   LYS   8          2HD       LYS   8   6.312  -8.695  -7.049
   66   1HE   LYS   8          1HE       LYS   8   7.423 -10.247  -5.506
   67   2HE   LYS   8          2HE       LYS   8   5.926 -11.167  -5.363
   68   1HZ   LYS   8          1HZ       LYS   8   7.487 -10.767  -7.858
   69   2HZ   LYS   8          2HZ       LYS   8   6.039 -11.632  -7.738
   70   3HZ   LYS   8          3HZ       LYS   8   7.425 -12.191  -6.945
   71    H    GLY   9           H        GLY   9   4.938  -6.941  -1.955
   72   1HA   GLY   9          1HA       GLY   9   7.094  -6.995  -0.962
   73   2HA   GLY   9          2HA       GLY   9   7.672  -5.917  -2.224
   74    H    HIS  10           H        HIS  10   6.961  -3.662  -2.137
   75    HA   HIS  10           HA       HIS  10   5.793  -2.661   0.283
   76   1HB   HIS  10          1HB       HIS  10   7.705  -1.425   1.096
   77   2HB   HIS  10          2HB       HIS  10   8.117  -3.136   1.005
   78    HD1  HIS  10           1HD      HIS  10   8.403  -0.140  -1.317
   79    HD2  HIS  10           2HD      HIS  10  10.549  -3.486  -0.114
   80    HE1  HIS  10           1HE      HIS  10  10.558  -0.041  -2.579
   81    HE2  HIS  10           2HE      HIS  10  11.881  -2.035  -1.791
   82    H    CYS  11           H        CYS  11   5.402  -0.388   0.237
   83    HA   CYS  11           HA       CYS  11   5.481   0.711  -2.491
   84   1HB   CYS  11          1HB       CYS  11   3.235   0.341  -1.421
   85   2HB   CYS  11          2HB       CYS  11   3.673   1.548  -0.219
   86    H    LYS  12           H        LYS  12   5.424   3.227  -2.442
   87    HA   LYS  12           HA       LYS  12   7.422   4.153  -0.487
   88   1HB   LYS  12          1HB       LYS  12   8.298   5.642  -2.261
   89   2HB   LYS  12          2HB       LYS  12   8.465   3.937  -2.657
   90   1HG   LYS  12          1HG       LYS  12   6.504   4.072  -4.100
   91   2HG   LYS  12          2HG       LYS  12   6.322   5.781  -3.695
   92   1HD   LYS  12          1HD       LYS  12   8.537   6.231  -4.659
   93   2HD   LYS  12          2HD       LYS  12   8.688   4.526  -5.088
   94   1HE   LYS  12          1HE       LYS  12   6.724   4.714  -6.531
   95   2HE   LYS  12          2HE       LYS  12   6.564   6.415  -6.094
   96   1HZ   LYS  12          1HZ       LYS  12   8.860   5.194  -7.529
   97   2HZ   LYS  12          2HZ       LYS  12   8.745   6.820  -7.078
   98   3HZ   LYS  12          3HZ       LYS  12   7.668   6.180  -8.214
   99    H    ARG  13           H        ARG  13   4.533   4.337  -0.269
  100    HA   ARG  13           HA       ARG  13   4.314   6.997   0.585
  101   1HB   ARG  13          1HB       ARG  13   2.572   7.757  -1.064
  102   2HB   ARG  13          2HB       ARG  13   4.213   7.685  -1.682
  103   1HG   ARG  13          1HG       ARG  13   3.694   5.513  -2.726
  104   2HG   ARG  13          2HG       ARG  13   2.028   5.670  -2.163
  105   1HD   ARG  13          1HD       ARG  13   1.773   7.719  -3.462
  106   2HD   ARG  13          2HD       ARG  13   3.445   7.594  -4.004
  107    HE   ARG  13           HE       ARG  13   2.018   5.241  -4.658
  108   1HH1  ARG  13          1HH1      ARG  13   2.368   8.580  -5.590
  109   2HH1  ARG  13          2HH1      ARG  13   1.914   8.303  -7.238
  110   1HH2  ARG  13          1HH2      ARG  13   1.422   4.867  -6.828
  111   2HH2  ARG  13          2HH2      ARG  13   1.378   6.192  -7.942
  112    H    GLY  14           H        GLY  14   3.679   5.356   2.259
  113   1HA   GLY  14          1HA       GLY  14   1.819   5.021   3.677
  114   2HA   GLY  14          2HA       GLY  14   0.760   5.179   2.286
  115    H    GLU  15           H        GLU  15   3.254   3.028   3.635
  116    HA   GLU  15           HA       GLU  15   2.176   0.760   2.189
  117   1HB   GLU  15          1HB       GLU  15   4.353   0.838   4.289
  118   2HB   GLU  15          2HB       GLU  15   3.985  -0.510   3.224
  119   1HG   GLU  15          1HG       GLU  15   5.860   0.498   2.288
  120   2HG   GLU  15          2HG       GLU  15   4.513   1.065   1.303
  121    H    ARG  16           H        ARG  16   0.134   0.376   2.994
  122    HA   ARG  16           HA       ARG  16  -0.056  -0.243   5.866
  123   1HB   ARG  16          1HB       ARG  16  -2.243   0.522   3.924
  124   2HB   ARG  16          2HB       ARG  16  -2.484   0.134   5.622
  125   1HG   ARG  16          1HG       ARG  16  -1.143   2.056   6.271
  126   2HG   ARG  16          2HG       ARG  16  -0.847   2.435   4.572
  127   1HD   ARG  16          1HD       ARG  16  -2.616   3.842   5.478
  128   2HD   ARG  16          2HD       ARG  16  -3.246   2.769   4.229
  129    HE   ARG  16           HE       ARG  16  -3.523   1.735   6.898
  130   1HH1  ARG  16          1HH1      ARG  16  -4.967   3.729   4.429
  131   2HH1  ARG  16          2HH1      ARG  16  -6.574   3.561   5.054
  132   1HH2  ARG  16          1HH2      ARG  16  -5.635   1.512   7.727
  133   2HH2  ARG  16          2HH2      ARG  16  -6.953   2.304   6.929
  134    H    VAL  17           H        VAL  17  -1.565  -1.981   6.457
  135    HA   VAL  17           HA       VAL  17  -1.724  -4.087   4.408
  136    HB   VAL  17           HB       VAL  17  -1.206  -4.708   7.307
  137   1HG1  VAL  17          1HG1      VAL  17  -0.494  -6.855   6.449
  138   2HG1  VAL  17          2HG1      VAL  17  -0.710  -6.294   4.791
  139   3HG1  VAL  17          3HG1      VAL  17  -2.109  -6.479   5.848
  140   1HG2  VAL  17          1HG2      VAL  17   0.870  -4.373   5.143
  141   2HG2  VAL  17          2HG2      VAL  17   1.163  -4.980   6.772
  142   3HG2  VAL  17          3HG2      VAL  17   0.645  -3.311   6.533
  143    H    ARG  18           H        ARG  18  -3.801  -2.375   4.896
  144    HA   ARG  18           HA       ARG  18  -5.632  -3.449   6.828
  145   1HB   ARG  18          1HB       ARG  18  -5.705  -1.083   6.180
  146   2HB   ARG  18          2HB       ARG  18  -6.091  -1.538   4.527
  147   1HG   ARG  18          1HG       ARG  18  -8.205  -2.482   5.258
  148   2HG   ARG  18          2HG       ARG  18  -7.814  -2.092   6.934
  149   1HD   ARG  18          1HD       ARG  18  -7.749   0.288   6.360
  150   2HD   ARG  18          2HD       ARG  18  -8.142  -0.105   4.688
  151    HE   ARG  18           HE       ARG  18 -10.266  -1.072   5.679
  152   1HH1  ARG  18          1HH1      ARG  18  -8.527   1.576   7.132
  153   2HH1  ARG  18          2HH1      ARG  18  -9.933   2.260   7.876
  154   1HH2  ARG  18          1HH2      ARG  18 -12.122  -0.178   6.658
  155   2HH2  ARG  18          2HH2      ARG  18 -11.976   1.261   7.609
  156    H    GLY  19           H        GLY  19  -5.411  -3.471   3.288
  157   1HA   GLY  19          1HA       GLY  19  -7.092  -5.900   3.287
  158   2HA   GLY  19          2HA       GLY  19  -7.295  -4.629   2.088
  159    H    THR  20           H        THR  20  -5.030  -7.026   3.331
  160    HA   THR  20           HA       THR  20  -2.925  -6.812   1.617
  161    HB   THR  20           HB       THR  20  -2.550  -9.223   1.872
  162    HG1  THR  20           1HG      THR  20  -4.321 -10.387   1.945
  163   1HG2  THR  20          1HG2      THR  20  -1.967  -7.741   3.730
  164   2HG2  THR  20          2HG2      THR  20  -2.506  -9.314   4.320
  165   3HG2  THR  20          3HG2      THR  20  -3.591  -7.926   4.393
  166    H    CYS  21           H        CYS  21  -2.645  -6.896  -0.493
  167    HA   CYS  21           HA       CYS  21  -4.788  -7.572  -2.264
  168   1HB   CYS  21          1HB       CYS  21  -3.178  -5.767  -2.758
  169   2HB   CYS  21          2HB       CYS  21  -1.885  -6.955  -2.863
  170    H    GLY  22           H        GLY  22  -2.582  -9.403  -0.604
  171   1HA   GLY  22          1HA       GLY  22  -3.294 -11.837  -1.765
  172   2HA   GLY  22          2HA       GLY  22  -1.785 -11.331  -2.511
  173    H    ILE  23           H        ILE  23  -0.671 -13.099  -1.601
  174    HA   ILE  23           HA       ILE  23  -0.537 -13.304   1.297
  175    HB   ILE  23           HB       ILE  23   0.989 -14.895  -0.768
  176   1HG1  ILE  23          1HG1      ILE  23  -1.572 -15.615   0.677
  177   2HG1  ILE  23          2HG1      ILE  23  -1.482 -15.104  -1.005
  178   1HG2  ILE  23          1HG2      ILE  23   1.990 -14.932   1.455
  179   2HG2  ILE  23          2HG2      ILE  23   1.295 -16.503   1.055
  180   3HG2  ILE  23          3HG2      ILE  23   0.444 -15.416   2.154
  181   1HD1  ILE  23          1HD1      ILE  23  -0.098 -17.068  -1.505
  182   2HD1  ILE  23          2HD1      ILE  23  -1.681 -17.501  -0.861
  183   3HD1  ILE  23          3HD1      ILE  23  -0.256 -17.586   0.173
  184    H    ARG  24           H        ARG  24   1.632 -12.584  -1.416
  185    HA   ARG  24           HA       ARG  24   3.629 -11.587   0.495
  186   1HB   ARG  24          1HB       ARG  24   5.221 -11.710  -1.381
  187   2HB   ARG  24          2HB       ARG  24   4.469 -13.267  -1.056
  188   1HG   ARG  24          1HG       ARG  24   2.929 -12.898  -2.932
  189   2HG   ARG  24          2HG       ARG  24   3.731 -11.363  -3.270
  190   1HD   ARG  24          1HD       ARG  24   5.834 -12.549  -3.664
  191   2HD   ARG  24          2HD       ARG  24   5.034 -14.083  -3.322
  192    HE   ARG  24           HE       ARG  24   3.644 -12.776  -5.377
  193   1HH1  ARG  24          1HH1      ARG  24   6.702 -14.339  -4.795
  194   2HH1  ARG  24          2HH1      ARG  24   6.907 -14.838  -6.441
  195   1HH2  ARG  24          1HH2      ARG  24   3.907 -13.425  -7.548
  196   2HH2  ARG  24          2HH2      ARG  24   5.319 -14.317  -8.006
  197    H    PHE  25           H        PHE  25   1.100 -10.449  -1.161
  198    HA   PHE  25           HA       PHE  25   2.359  -7.990  -2.115
  199   1HB   PHE  25          1HB       PHE  25  -0.489  -8.989  -2.328
  200   2HB   PHE  25          2HB       PHE  25   0.088  -7.467  -2.996
  201    HD1  PHE  25           1HD      PHE  25   0.464 -11.141  -3.201
  202    HD2  PHE  25           2HD      PHE  25   1.163  -7.386  -5.078
  203    HE1  PHE  25           1HE      PHE  25   1.120 -12.301  -5.270
  204    HE2  PHE  25           2HE      PHE  25   1.819  -8.539  -7.149
  205    HZ   PHE  25           HZ       PHE  25   1.798 -11.000  -7.248
  206    H    LEU  26           H        LEU  26   0.779  -5.999  -1.700
  207    HA   LEU  26           HA       LEU  26  -0.330  -5.954   0.968
  208   1HB   LEU  26          1HB       LEU  26   1.084  -4.207   1.828
  209   2HB   LEU  26          2HB       LEU  26   2.071  -5.580   1.375
  210    HG   LEU  26           HG       LEU  26   1.719  -3.199  -0.430
  211   1HD1  LEU  26          1HD1      LEU  26   2.614  -2.379   1.667
  212   2HD1  LEU  26          2HD1      LEU  26   3.873  -2.390   0.431
  213   3HD1  LEU  26          3HD1      LEU  26   3.838  -3.649   1.666
  214   1HD2  LEU  26          1HD2      LEU  26   3.846  -4.011  -1.369
  215   2HD2  LEU  26          2HD2      LEU  26   2.553  -5.202  -1.505
  216   3HD2  LEU  26          3HD2      LEU  26   3.792  -5.384  -0.263
  217    H    TYR  27           H        TYR  27  -0.879  -3.494   1.485
  218    HA   TYR  27           HA       TYR  27  -2.102  -2.419  -0.968
  219   1HB   TYR  27          1HB       TYR  27  -3.356  -3.337   1.330
  220   2HB   TYR  27          2HB       TYR  27  -3.363  -1.590   1.521
  221    HD1  TYR  27           1HD      TYR  27  -5.400  -0.687   0.920
  222    HD2  TYR  27           2HD      TYR  27  -3.824  -3.899  -1.382
  223    HE1  TYR  27           1HE      TYR  27  -7.327  -0.536  -0.598
  224    HE2  TYR  27           2HE      TYR  27  -5.749  -3.756  -2.908
  225    HH   TYR  27           HH       TYR  27  -8.071  -2.939  -2.872
  226    H    CYS  28           H        CYS  28  -1.590  -0.405  -1.532
  227    HA   CYS  28           HA       CYS  28  -0.105   1.228   0.420
  228   1HB   CYS  28          1HB       CYS  28   1.257   0.571  -1.491
  229   2HB   CYS  28          2HB       CYS  28   0.056   1.224  -2.598
  230    H    CYS  29           H        CYS  29  -1.566   2.577   1.307
  231    HA   CYS  29           HA       CYS  29  -3.497   3.914  -0.436
  232   1HB   CYS  29          1HB       CYS  29  -3.290   3.904   2.581
  233   2HB   CYS  29          2HB       CYS  29  -4.578   4.646   1.640
  234    HA   PRO  30           HA       PRO  30  -0.885   7.518  -0.651
  235   1HB   PRO  30          1HB       PRO  30  -3.401   8.959  -1.233
  236   2HB   PRO  30          2HB       PRO  30  -1.927   8.832  -2.199
  237   1HG   PRO  30          1HG       PRO  30  -4.154   7.534  -2.900
  238   2HG   PRO  30          2HG       PRO  30  -2.553   6.807  -3.128
  239   1HD   PRO  30          1HD       PRO  30  -4.591   6.278  -1.000
  240   2HD   PRO  30          2HD       PRO  30  -3.553   5.134  -1.876
  241    H    ARG  31           H        ARG  31  -0.166   8.492   1.118
  242    HA   ARG  31           HA       ARG  31  -1.994  10.112   2.709
  243   1HB   ARG  31          1HB       ARG  31  -1.934   7.939   3.864
  244   2HB   ARG  31          2HB       ARG  31  -0.180   8.028   3.942
  245   1HG   ARG  31          1HG       ARG  31  -0.312   9.975   5.378
  246   2HG   ARG  31          2HG       ARG  31  -2.073   9.971   5.251
  247   1HD   ARG  31          1HD       ARG  31  -2.130   7.757   6.312
  248   2HD   ARG  31          2HD       ARG  31  -0.372   7.790   6.458
  249    HE   ARG  31           HE       ARG  31  -0.977   9.992   7.777
  250   1HH1  ARG  31          1HH1      ARG  31  -2.539   6.878   7.884
  251   2HH1  ARG  31          2HH1      ARG  31  -3.049   7.048   9.530
  252   1HH2  ARG  31          1HH2      ARG  31  -1.650  10.226   9.940
  253   2HH2  ARG  31          2HH2      ARG  31  -2.548   8.953  10.697
  254    H    ARG  32           H        ARG  32  -0.934  11.899   1.831
  255    HA   ARG  32           HA       ARG  32   1.934  12.172   2.244
  256   1HB   ARG  32          1HB       ARG  32   0.876  12.904   0.117
  257   2HB   ARG  32          2HB       ARG  32  -0.027  14.118   1.013
  258   1HG   ARG  32          1HG       ARG  32   1.834  15.187  -0.008
  259   2HG   ARG  32          2HG       ARG  32   2.145  15.107   1.727
  260   1HD   ARG  32          1HD       ARG  32   4.146  14.536   0.468
  261   2HD   ARG  32          2HD       ARG  32   3.564  13.144   1.380
  262    HE   ARG  32           HE       ARG  32   2.515  13.123  -1.250
  263   1HH1  ARG  32          1HH1      ARG  32   5.446  12.528   0.539
  264   2HH1  ARG  32          2HH1      ARG  32   6.067  11.389  -0.610
  265   1HH2  ARG  32          1HH2      ARG  32   3.326  11.627  -2.766
  266   2HH2  ARG  32          2HH2      ARG  32   4.863  10.878  -2.487
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -10.736  11.034  -6.032
    2   2H    GLY   1          2H        GLY   1  -9.764  11.864  -7.140
    3   3H    GLY   1          3H        GLY   1 -10.893  12.709  -6.208
    4   1HA   GLY   1          1HA       GLY   1  -8.682  13.062  -5.335
    5   2HA   GLY   1          2HA       GLY   1  -9.681  12.181  -4.190
    6    H    LEU   2           H        LEU   2  -7.649  11.502  -3.241
    7    HA   LEU   2           HA       LEU   2  -5.760   9.936  -4.641
    8   1HB   LEU   2          1HB       LEU   2  -6.400  10.027  -1.692
    9   2HB   LEU   2          2HB       LEU   2  -4.987   9.255  -2.388
   10    HG   LEU   2           HG       LEU   2  -5.594  12.205  -2.617
   11   1HD1  LEU   2          1HD1      LEU   2  -3.805  12.505  -0.968
   12   2HD1  LEU   2          2HD1      LEU   2  -3.700  10.756  -0.769
   13   3HD1  LEU   2          3HD1      LEU   2  -5.169  11.609  -0.297
   14   1HD2  LEU   2          1HD2      LEU   2  -4.220  11.352  -4.433
   15   2HD2  LEU   2          2HD2      LEU   2  -3.129  10.592  -3.274
   16   3HD2  LEU   2          3HD2      LEU   2  -3.254  12.351  -3.346
   17    H    LEU   3           H        LEU   3  -5.283   7.628  -4.138
   18    HA   LEU   3           HA       LEU   3  -7.509   5.964  -3.350
   19   1HB   LEU   3          1HB       LEU   3  -7.975   6.476  -5.733
   20   2HB   LEU   3          2HB       LEU   3  -6.421   5.784  -6.161
   21    HG   LEU   3           HG       LEU   3  -7.197   3.597  -5.253
   22   1HD1  LEU   3          1HD1      LEU   3  -9.589   3.285  -4.848
   23   2HD1  LEU   3          2HD1      LEU   3  -9.848   5.019  -5.046
   24   3HD1  LEU   3          3HD1      LEU   3  -8.879   4.420  -3.701
   25   1HD2  LEU   3          1HD2      LEU   3  -8.893   4.816  -7.430
   26   2HD2  LEU   3          2HD2      LEU   3  -8.699   3.089  -7.126
   27   3HD2  LEU   3          3HD2      LEU   3  -7.314   4.056  -7.636
   28    H    CYS   4           H        CYS   4  -6.924   3.731  -3.102
   29    HA   CYS   4           HA       CYS   4  -4.047   3.396  -2.652
   30   1HB   CYS   4          1HB       CYS   4  -6.149   1.458  -1.734
   31   2HB   CYS   4          2HB       CYS   4  -4.571   1.790  -1.031
   32    H    TYR   5           H        TYR   5  -2.882   1.692  -3.524
   33    HA   TYR   5           HA       TYR   5  -4.281   0.056  -5.536
   34   1HB   TYR   5          1HB       TYR   5  -1.516   1.256  -5.799
   35   2HB   TYR   5          2HB       TYR   5  -2.310   0.226  -6.985
   36    HD1  TYR   5           1HD      TYR   5  -2.035   3.584  -5.634
   37    HD2  TYR   5           2HD      TYR   5  -4.266   1.076  -8.249
   38    HE1  TYR   5           1HE      TYR   5  -3.027   5.573  -6.685
   39    HE2  TYR   5           2HE      TYR   5  -5.262   3.058  -9.308
   40    HH   TYR   5           HH       TYR   5  -5.710   5.421  -8.742
   41    H    CYS   6           H        CYS   6  -2.907  -1.871  -6.215
   42    HA   CYS   6           HA       CYS   6  -1.932  -3.180  -3.784
   43   1HB   CYS   6          1HB       CYS   6  -2.616  -4.355  -6.490
   44   2HB   CYS   6          2HB       CYS   6  -2.187  -5.271  -5.049
   45    H    ARG   7           H        ARG   7   0.136  -3.807  -3.504
   46    HA   ARG   7           HA       ARG   7   1.956  -3.768  -5.800
   47   1HB   ARG   7          1HB       ARG   7   2.371  -2.254  -3.224
   48   2HB   ARG   7          2HB       ARG   7   3.661  -2.584  -4.371
   49   1HG   ARG   7          1HG       ARG   7   2.312  -1.382  -6.102
   50   2HG   ARG   7          2HG       ARG   7   1.201  -0.913  -4.813
   51   1HD   ARG   7          1HD       ARG   7   3.036   0.196  -3.636
   52   2HD   ARG   7          2HD       ARG   7   4.148  -0.280  -4.917
   53    HE   ARG   7           HE       ARG   7   1.877   1.560  -5.319
   54   1HH1  ARG   7          1HH1      ARG   7   5.154   0.551  -5.979
   55   2HH1  ARG   7          2HH1      ARG   7   5.466   1.857  -7.072
   56   1HH2  ARG   7          1HH2      ARG   7   2.286   3.273  -6.761
   57   2HH2  ARG   7          2HH2      ARG   7   3.839   3.400  -7.517
   58    H    LYS   8           H        LYS   8   4.245  -4.507  -4.945
   59    HA   LYS   8           HA       LYS   8   3.837  -6.777  -3.110
   60   1HB   LYS   8          1HB       LYS   8   3.958  -7.564  -5.434
   61   2HB   LYS   8          2HB       LYS   8   5.501  -6.746  -5.634
   62   1HG   LYS   8          1HG       LYS   8   6.514  -8.204  -3.977
   63   2HG   LYS   8          2HG       LYS   8   4.962  -9.002  -3.714
   64   1HD   LYS   8          1HD       LYS   8   4.953  -9.736  -6.055
   65   2HD   LYS   8          2HD       LYS   8   6.514  -8.949  -6.303
   66   1HE   LYS   8          1HE       LYS   8   7.542 -10.424  -4.671
   67   2HE   LYS   8          2HE       LYS   8   5.982 -11.176  -4.339
   68   1HZ   LYS   8          1HZ       LYS   8   5.919 -11.956  -6.630
   69   2HZ   LYS   8          2HZ       LYS   8   7.302 -12.524  -5.839
   70   3HZ   LYS   8          3HZ       LYS   8   7.423 -11.243  -6.937
   71    H    GLY   9           H        GLY   9   5.440  -7.193  -1.644
   72   1HA   GLY   9          1HA       GLY   9   7.407  -6.925  -0.468
   73   2HA   GLY   9          2HA       GLY   9   8.049  -6.024  -1.833
   74    H    HIS  10           H        HIS  10   7.835  -3.790  -1.899
   75    HA   HIS  10           HA       HIS  10   6.779  -2.542   0.545
   76   1HB   HIS  10          1HB       HIS  10   8.622  -0.844   0.293
   77   2HB   HIS  10          2HB       HIS  10   9.160  -2.461   0.741
   78    HD1  HIS  10           1HD      HIS  10   8.325  -1.332  -2.760
   79    HD2  HIS  10           2HD      HIS  10  11.614  -2.448  -0.484
   80    HE1  HIS  10           1HE      HIS  10  10.222  -1.529  -4.381
   81    HE2  HIS  10           2HE      HIS  10  12.235  -2.077  -2.967
   82    H    CYS  11           H        CYS  11   6.392  -0.148   0.247
   83    HA   CYS  11           HA       CYS  11   5.122   0.275  -2.372
   84   1HB   CYS  11          1HB       CYS  11   4.569   1.792   0.180
   85   2HB   CYS  11          2HB       CYS  11   3.604   1.781  -1.289
   86    H    LYS  12           H        LYS  12   4.800   2.931  -2.464
   87    HA   LYS  12           HA       LYS  12   7.556   3.915  -2.652
   88   1HB   LYS  12          1HB       LYS  12   6.604   5.625  -4.189
   89   2HB   LYS  12          2HB       LYS  12   6.386   3.975  -4.755
   90   1HG   LYS  12          1HG       LYS  12   4.080   3.991  -4.063
   91   2HG   LYS  12          2HG       LYS  12   4.275   5.588  -3.339
   92   1HD   LYS  12          1HD       LYS  12   4.725   5.024  -6.264
   93   2HD   LYS  12          2HD       LYS  12   3.179   5.560  -5.603
   94   1HE   LYS  12          1HE       LYS  12   4.273   7.576  -4.723
   95   2HE   LYS  12          2HE       LYS  12   5.802   7.041  -5.420
   96   1HZ   LYS  12          1HZ       LYS  12   4.828   7.181  -7.613
   97   2HZ   LYS  12          2HZ       LYS  12   4.675   8.668  -6.821
   98   3HZ   LYS  12          3HZ       LYS  12   3.336   7.644  -6.963
   99    H    ARG  13           H        ARG  13   4.553   4.420  -1.056
  100    HA   ARG  13           HA       ARG  13   5.644   6.088   0.907
  101   1HB   ARG  13          1HB       ARG  13   4.438   8.199   0.352
  102   2HB   ARG  13          2HB       ARG  13   5.747   7.818  -0.750
  103   1HG   ARG  13          1HG       ARG  13   4.056   6.873  -2.316
  104   2HG   ARG  13          2HG       ARG  13   2.799   7.484  -1.241
  105   1HD   ARG  13          1HD       ARG  13   3.277   8.989  -3.141
  106   2HD   ARG  13          2HD       ARG  13   3.546   9.744  -1.571
  107    HE   ARG  13           HE       ARG  13   5.963   8.649  -2.482
  108   1HH1  ARG  13          1HH1      ARG  13   3.746  11.231  -3.224
  109   2HH1  ARG  13          2HH1      ARG  13   4.965  12.255  -3.908
  110   1HH2  ARG  13          1HH2      ARG  13   7.576   9.993  -3.375
  111   2HH2  ARG  13          2HH2      ARG  13   7.141  11.551  -3.993
  112    H    GLY  14           H        GLY  14   4.517   5.256   2.539
  113   1HA   GLY  14          1HA       GLY  14   2.580   5.236   3.897
  114   2HA   GLY  14          2HA       GLY  14   1.598   5.471   2.458
  115    H    GLU  15           H        GLU  15   3.954   3.052   3.624
  116    HA   GLU  15           HA       GLU  15   2.630   0.897   2.315
  117   1HB   GLU  15          1HB       GLU  15   4.625   0.797   4.585
  118   2HB   GLU  15          2HB       GLU  15   4.181  -0.545   3.543
  119   1HG   GLU  15          1HG       GLU  15   6.223   0.183   2.714
  120   2HG   GLU  15          2HG       GLU  15   5.037   0.886   1.623
  121    H    ARG  16           H        ARG  16   0.901  -0.236   2.966
  122    HA   ARG  16           HA       ARG  16   0.263  -0.327   5.824
  123   1HB   ARG  16          1HB       ARG  16  -1.716   0.455   3.678
  124   2HB   ARG  16          2HB       ARG  16  -2.100   0.187   5.372
  125   1HG   ARG  16          1HG       ARG  16  -0.785   2.079   6.033
  126   2HG   ARG  16          2HG       ARG  16  -0.192   2.295   4.385
  127   1HD   ARG  16          1HD       ARG  16  -2.466   2.774   3.629
  128   2HD   ARG  16          2HD       ARG  16  -3.064   2.544   5.271
  129    HE   ARG  16           HE       ARG  16  -1.072   4.500   5.337
  130   1HH1  ARG  16          1HH1      ARG  16  -4.275   4.040   4.045
  131   2HH1  ARG  16          2HH1      ARG  16  -4.686   5.720   4.118
  132   1HH2  ARG  16          1HH2      ARG  16  -1.603   6.715   5.435
  133   2HH2  ARG  16          2HH2      ARG  16  -3.166   7.241   4.905
  134    H    VAL  17           H        VAL  17  -1.313  -1.962   6.389
  135    HA   VAL  17           HA       VAL  17  -1.646  -4.084   4.400
  136    HB   VAL  17           HB       VAL  17   0.332  -4.568   5.855
  137   1HG1  VAL  17          1HG1      VAL  17  -1.734  -4.767   8.039
  138   2HG1  VAL  17          2HG1      VAL  17  -0.453  -3.562   7.917
  139   3HG1  VAL  17          3HG1      VAL  17  -0.046  -5.258   8.172
  140   1HG2  VAL  17          1HG2      VAL  17  -0.284  -6.890   6.328
  141   2HG2  VAL  17          2HG2      VAL  17  -0.872  -6.370   4.749
  142   3HG2  VAL  17          3HG2      VAL  17  -1.986  -6.481   6.111
  143    H    ARG  18           H        ARG  18  -3.507  -2.175   5.219
  144    HA   ARG  18           HA       ARG  18  -5.243  -3.145   7.255
  145   1HB   ARG  18          1HB       ARG  18  -5.157  -0.774   6.414
  146   2HB   ARG  18          2HB       ARG  18  -5.955  -1.325   4.948
  147   1HG   ARG  18          1HG       ARG  18  -7.639  -0.411   6.314
  148   2HG   ARG  18          2HG       ARG  18  -7.823  -2.162   6.420
  149   1HD   ARG  18          1HD       ARG  18  -8.049  -1.142   8.616
  150   2HD   ARG  18          2HD       ARG  18  -6.608  -2.157   8.546
  151    HE   ARG  18           HE       ARG  18  -5.857   0.456   7.908
  152   1HH1  ARG  18          1HH1      ARG  18  -7.075  -1.346  10.632
  153   2HH1  ARG  18          2HH1      ARG  18  -6.321  -0.323  11.809
  154   1HH2  ARG  18          1HH2      ARG  18  -4.860   1.805   9.450
  155   2HH2  ARG  18          2HH2      ARG  18  -5.061   1.468  11.137
  156    H    GLY  19           H        GLY  19  -5.146  -3.446   3.745
  157   1HA   GLY  19          1HA       GLY  19  -6.982  -5.733   3.954
  158   2HA   GLY  19          2HA       GLY  19  -7.321  -4.460   2.790
  159    H    THR  20           H        THR  20  -5.097  -7.028   3.668
  160    HA   THR  20           HA       THR  20  -3.165  -6.863   1.744
  161    HB   THR  20           HB       THR  20  -3.038  -9.353   1.798
  162    HG1  THR  20           1HG      THR  20  -4.701  -9.926   3.736
  163   1HG2  THR  20          1HG2      THR  20  -1.895  -8.038   3.500
  164   2HG2  THR  20          2HG2      THR  20  -2.532  -9.525   4.202
  165   3HG2  THR  20          3HG2      THR  20  -3.362  -7.994   4.476
  166    H    CYS  21           H        CYS  21  -3.045  -7.024  -0.393
  167    HA   CYS  21           HA       CYS  21  -5.483  -7.550  -1.893
  168   1HB   CYS  21          1HB       CYS  21  -3.932  -5.569  -2.315
  169   2HB   CYS  21          2HB       CYS  21  -2.807  -6.729  -3.013
  170    H    GLY  22           H        GLY  22  -2.910  -9.320  -0.770
  171   1HA   GLY  22          1HA       GLY  22  -3.602 -11.612  -2.305
  172   2HA   GLY  22          2HA       GLY  22  -2.086 -10.928  -2.870
  173    H    ILE  23           H        ILE  23  -1.308 -13.101  -2.190
  174    HA   ILE  23           HA       ILE  23  -1.169 -13.692   0.614
  175    HB   ILE  23           HB       ILE  23   0.399 -14.891  -1.674
  176   1HG1  ILE  23          1HG1      ILE  23  -2.085 -15.928  -0.291
  177   2HG1  ILE  23          2HG1      ILE  23  -2.084 -15.120  -1.855
  178   1HG2  ILE  23          1HG2      ILE  23  -0.029 -15.864   1.149
  179   2HG2  ILE  23          2HG2      ILE  23   1.484 -15.268   0.465
  180   3HG2  ILE  23          3HG2      ILE  23   0.776 -16.769  -0.133
  181   1HD1  ILE  23          1HD1      ILE  23  -0.715 -17.719  -1.198
  182   2HD1  ILE  23          2HD1      ILE  23  -0.683 -16.908  -2.764
  183   3HD1  ILE  23          3HD1      ILE  23  -2.205 -17.522  -2.120
  184    H    ARG  24           H        ARG  24   1.243 -12.717  -1.823
  185    HA   ARG  24           HA       ARG  24   3.056 -11.954   0.354
  186   1HB   ARG  24          1HB       ARG  24   4.835 -11.977  -1.293
  187   2HB   ARG  24          2HB       ARG  24   3.952 -13.494  -1.359
  188   1HG   ARG  24          1HG       ARG  24   3.234 -11.271  -3.220
  189   2HG   ARG  24          2HG       ARG  24   4.633 -12.293  -3.552
  190   1HD   ARG  24          1HD       ARG  24   1.832 -13.304  -3.078
  191   2HD   ARG  24          2HD       ARG  24   2.563 -13.072  -4.665
  192    HE   ARG  24           HE       ARG  24   4.295 -14.701  -3.292
  193   1HH1  ARG  24          1HH1      ARG  24   0.939 -14.829  -4.218
  194   2HH1  ARG  24          2HH1      ARG  24   0.908 -16.556  -4.347
  195   1HH2  ARG  24          1HH2      ARG  24   4.264 -16.974  -3.459
  196   2HH2  ARG  24          2HH2      ARG  24   2.797 -17.775  -3.914
  197    H    PHE  25           H        PHE  25   0.787 -10.616  -1.642
  198    HA   PHE  25           HA       PHE  25   2.149  -8.118  -2.166
  199   1HB   PHE  25          1HB       PHE  25  -0.701  -9.007  -2.635
  200   2HB   PHE  25          2HB       PHE  25  -0.079  -7.422  -3.081
  201    HD1  PHE  25           1HD      PHE  25   0.149 -11.033  -3.762
  202    HD2  PHE  25           2HD      PHE  25   1.256  -7.120  -5.018
  203    HE1  PHE  25           1HE      PHE  25   0.915 -11.945  -5.915
  204    HE2  PHE  25           2HE      PHE  25   2.023  -8.024  -7.172
  205    HZ   PHE  25           HZ       PHE  25   1.853 -10.440  -7.624
  206    H    LEU  26           H        LEU  26   0.806  -6.075  -1.630
  207    HA   LEU  26           HA       LEU  26  -0.478  -6.182   0.976
  208   1HB   LEU  26          1HB       LEU  26   0.966  -4.446   1.921
  209   2HB   LEU  26          2HB       LEU  26   1.858  -5.913   1.571
  210    HG   LEU  26           HG       LEU  26   1.848  -3.601  -0.345
  211   1HD1  LEU  26          1HD1      LEU  26   3.949  -2.862   0.694
  212   2HD1  LEU  26          2HD1      LEU  26   3.703  -4.034   1.989
  213   3HD1  LEU  26          3HD1      LEU  26   2.570  -2.699   1.780
  214   1HD2  LEU  26          1HD2      LEU  26   4.007  -4.581  -1.008
  215   2HD2  LEU  26          2HD2      LEU  26   2.668  -5.710  -1.211
  216   3HD2  LEU  26          3HD2      LEU  26   3.761  -5.877   0.163
  217    H    TYR  27           H        TYR  27  -0.965  -3.718   1.617
  218    HA   TYR  27           HA       TYR  27  -2.136  -2.547  -0.815
  219   1HB   TYR  27          1HB       TYR  27  -3.414  -3.385   1.486
  220   2HB   TYR  27          2HB       TYR  27  -3.288  -1.643   1.709
  221    HD1  TYR  27           1HD      TYR  27  -5.157  -0.468   1.029
  222    HD2  TYR  27           2HD      TYR  27  -4.039  -3.966  -1.119
  223    HE1  TYR  27           1HE      TYR  27  -7.065  -0.140  -0.485
  224    HE2  TYR  27           2HE      TYR  27  -5.944  -3.647  -2.640
  225    HH   TYR  27           HH       TYR  27  -8.137  -2.533  -2.637
  226    H    CYS  28           H        CYS  28  -1.377  -0.681  -1.464
  227    HA   CYS  28           HA       CYS  28   0.080   1.001   0.469
  228   1HB   CYS  28          1HB       CYS  28   0.448   0.976  -2.530
  229   2HB   CYS  28          2HB       CYS  28   1.468   1.768  -1.333
  230    H    CYS  29           H        CYS  29  -0.617   3.028   0.810
  231    HA   CYS  29           HA       CYS  29  -2.328   4.321  -1.164
  232   1HB   CYS  29          1HB       CYS  29  -3.628   2.948   0.685
  233   2HB   CYS  29          2HB       CYS  29  -3.284   4.369   1.666
  234    HA   PRO  30           HA       PRO  30   0.024   7.915  -0.094
  235   1HB   PRO  30          1HB       PRO  30  -2.531   9.402  -0.420
  236   2HB   PRO  30          2HB       PRO  30  -0.968   9.664  -1.202
  237   1HG   PRO  30          1HG       PRO  30  -2.980   8.563  -2.545
  238   2HG   PRO  30          2HG       PRO  30  -1.319   7.980  -2.763
  239   1HD   PRO  30          1HD       PRO  30  -3.565   6.768  -1.206
  240   2HD   PRO  30          2HD       PRO  30  -2.326   5.976  -2.202
  241    H    ARG  31           H        ARG  31  -0.435  10.086   1.229
  242    HA   ARG  31           HA       ARG  31  -0.537   9.425   3.909
  243   1HB   ARG  31          1HB       ARG  31   0.413  11.522   3.070
  244   2HB   ARG  31          2HB       ARG  31  -1.194  12.089   2.635
  245   1HG   ARG  31          1HG       ARG  31  -1.845  12.086   4.981
  246   2HG   ARG  31          2HG       ARG  31  -0.249  11.480   5.430
  247   1HD   ARG  31          1HD       ARG  31   0.771  13.509   4.503
  248   2HD   ARG  31          2HD       ARG  31  -0.830  14.113   4.076
  249    HE   ARG  31           HE       ARG  31  -1.142  13.760   6.676
  250   1HH1  ARG  31          1HH1      ARG  31   1.544  15.140   4.936
  251   2HH1  ARG  31          2HH1      ARG  31   2.000  16.201   6.228
  252   1HH2  ARG  31          1HH2      ARG  31  -0.546  15.152   8.380
  253   2HH2  ARG  31          2HH2      ARG  31   0.814  16.207   8.185
  254    H    ARG  32           H        ARG  32  -3.110  11.140   2.115
  255    HA   ARG  32           HA       ARG  32  -5.012  10.297   4.182
  256   1HB   ARG  32          1HB       ARG  32  -4.858  12.716   3.597
  257   2HB   ARG  32          2HB       ARG  32  -5.395  12.321   1.969
  258   1HG   ARG  32          1HG       ARG  32  -7.510  11.499   2.850
  259   2HG   ARG  32          2HG       ARG  32  -6.971  11.854   4.493
  260   1HD   ARG  32          1HD       ARG  32  -7.389  13.849   2.270
  261   2HD   ARG  32          2HD       ARG  32  -8.422  13.621   3.680
  262    HE   ARG  32           HE       ARG  32  -6.065  14.176   4.817
  263   1HH1  ARG  32          1HH1      ARG  32  -7.798  15.727   2.221
  264   2HH1  ARG  32          2HH1      ARG  32  -7.161  17.302   2.565
  265   1HH2  ARG  32          1HH2      ARG  32  -5.220  16.242   5.276
  266   2HH2  ARG  32          2HH2      ARG  32  -5.693  17.593   4.300
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  -9.910   9.894  -3.272
    2   2H    GLY   1          2H        GLY   1  -8.354  10.375  -2.811
    3   3H    GLY   1          3H        GLY   1  -9.680  11.373  -2.483
    4   1HA   GLY   1          1HA       GLY   1  -8.946  10.226  -0.483
    5   2HA   GLY   1          2HA       GLY   1 -10.580   9.771  -0.941
    6    H    LEU   2           H        LEU   2 -10.682   7.801  -2.425
    7    HA   LEU   2           HA       LEU   2  -8.901   5.757  -1.296
    8   1HB   LEU   2          1HB       LEU   2 -11.530   5.732  -1.201
    9   2HB   LEU   2          2HB       LEU   2 -11.384   5.117  -2.836
   10    HG   LEU   2           HG       LEU   2 -10.045   3.824  -0.461
   11   1HD1  LEU   2          1HD1      LEU   2 -11.854   2.171  -0.542
   12   2HD1  LEU   2          2HD1      LEU   2 -12.680   3.143  -1.760
   13   3HD1  LEU   2          3HD1      LEU   2 -12.452   3.779  -0.130
   14   1HD2  LEU   2          1HD2      LEU   2  -9.897   1.891  -1.971
   15   2HD2  LEU   2          2HD2      LEU   2  -9.029   3.290  -2.603
   16   3HD2  LEU   2          3HD2      LEU   2 -10.606   2.858  -3.265
   17    H    LEU   3           H        LEU   3  -7.197   6.341  -2.780
   18    HA   LEU   3           HA       LEU   3  -7.526   5.004  -5.368
   19   1HB   LEU   3          1HB       LEU   3  -6.259   7.716  -4.969
   20   2HB   LEU   3          2HB       LEU   3  -6.188   6.791  -6.456
   21    HG   LEU   3           HG       LEU   3  -8.740   7.799  -5.195
   22   1HD1  LEU   3          1HD1      LEU   3  -8.755   9.441  -7.012
   23   2HD1  LEU   3          2HD1      LEU   3  -7.160   8.888  -7.521
   24   3HD1  LEU   3          3HD1      LEU   3  -7.367   9.656  -5.947
   25   1HD2  LEU   3          1HD2      LEU   3  -9.045   5.800  -6.557
   26   2HD2  LEU   3          2HD2      LEU   3  -8.188   6.568  -7.894
   27   3HD2  LEU   3          3HD2      LEU   3  -9.737   7.214  -7.351
   28    H    CYS   4           H        CYS   4  -6.443   3.442  -3.778
   29    HA   CYS   4           HA       CYS   4  -3.587   3.938  -3.446
   30   1HB   CYS   4          1HB       CYS   4  -5.084   1.468  -2.582
   31   2HB   CYS   4          2HB       CYS   4  -3.563   2.096  -1.956
   32    H    TYR   5           H        TYR   5  -2.267   1.756  -3.746
   33    HA   TYR   5           HA       TYR   5  -3.017   0.477  -6.275
   34   1HB   TYR   5          1HB       TYR   5  -0.310   1.710  -5.716
   35   2HB   TYR   5          2HB       TYR   5  -0.729   0.765  -7.142
   36    HD1  TYR   5           1HD      TYR   5  -2.198   1.700  -8.865
   37    HD2  TYR   5           2HD      TYR   5  -1.042   3.996  -5.475
   38    HE1  TYR   5           1HE      TYR   5  -2.942   3.748 -10.005
   39    HE2  TYR   5           2HE      TYR   5  -1.783   6.050  -6.606
   40    HH   TYR   5           HH       TYR   5  -2.180   6.870  -8.860
   41    H    CYS   6           H        CYS   6  -2.369  -1.629  -6.482
   42    HA   CYS   6           HA       CYS   6  -1.528  -2.959  -4.060
   43   1HB   CYS   6          1HB       CYS   6  -2.055  -4.143  -6.795
   44   2HB   CYS   6          2HB       CYS   6  -1.960  -5.019  -5.271
   45    H    ARG   7           H        ARG   7   0.513  -3.385  -3.536
   46    HA   ARG   7           HA       ARG   7   2.485  -3.703  -5.705
   47   1HB   ARG   7          1HB       ARG   7   2.846  -2.235  -3.091
   48   2HB   ARG   7          2HB       ARG   7   4.168  -2.657  -4.169
   49   1HG   ARG   7          1HG       ARG   7   3.037  -1.321  -5.950
   50   2HG   ARG   7          2HG       ARG   7   1.882  -0.783  -4.726
   51   1HD   ARG   7          1HD       ARG   7   3.704   0.165  -3.413
   52   2HD   ARG   7          2HD       ARG   7   4.872  -0.395  -4.608
   53    HE   ARG   7           HE       ARG   7   2.845   1.692  -5.078
   54   1HH1  ARG   7          1HH1      ARG   7   5.903   0.182  -5.814
   55   2HH1  ARG   7          2HH1      ARG   7   6.386   1.415  -6.927
   56   1HH2  ARG   7          1HH2      ARG   7   3.479   3.316  -6.543
   57   2HH2  ARG   7          2HH2      ARG   7   5.011   3.196  -7.341
   58    H    LYS   8           H        LYS   8   4.662  -4.509  -4.448
   59    HA   LYS   8           HA       LYS   8   3.951  -6.641  -2.579
   60   1HB   LYS   8          1HB       LYS   8   3.837  -7.579  -4.890
   61   2HB   LYS   8          2HB       LYS   8   5.532  -7.158  -5.103
   62   1HG   LYS   8          1HG       LYS   8   6.147  -8.659  -3.287
   63   2HG   LYS   8          2HG       LYS   8   4.448  -9.066  -3.039
   64   1HD   LYS   8          1HD       LYS   8   5.462 -10.813  -4.331
   65   2HD   LYS   8          2HD       LYS   8   4.374  -9.907  -5.383
   66   1HE   LYS   8          1HE       LYS   8   6.272  -8.669  -6.291
   67   2HE   LYS   8          2HE       LYS   8   7.365  -9.546  -5.221
   68   1HZ   LYS   8          1HZ       LYS   8   6.751 -11.600  -6.335
   69   2HZ   LYS   8          2HZ       LYS   8   7.365 -10.483  -7.446
   70   3HZ   LYS   8          3HZ       LYS   8   5.699 -10.760  -7.359
   71    H    GLY   9           H        GLY   9   5.434  -6.898  -1.018
   72   1HA   GLY   9          1HA       GLY   9   7.682  -7.067  -0.226
   73   2HA   GLY   9          2HA       GLY   9   8.180  -5.974  -1.509
   74    H    HIS  10           H        HIS  10   7.241  -3.719  -1.345
   75    HA   HIS  10           HA       HIS  10   6.417  -2.775   1.221
   76   1HB   HIS  10          1HB       HIS  10   8.956  -3.217   1.409
   77   2HB   HIS  10          2HB       HIS  10   9.136  -1.808   0.368
   78    HD1  HIS  10           1HD      HIS  10   8.015  -2.809   3.808
   79    HD2  HIS  10           2HD      HIS  10   8.720   0.644   1.607
   80    HE1  HIS  10           1HE      HIS  10   7.947  -0.925   5.473
   81    HE2  HIS  10           2HE      HIS  10   8.448   1.146   4.130
   82    H    CYS  11           H        CYS  11   5.786  -0.585   1.184
   83    HA   CYS  11           HA       CYS  11   5.342   0.442  -1.507
   84   1HB   CYS  11          1HB       CYS  11   4.305   1.620   1.067
   85   2HB   CYS  11          2HB       CYS  11   3.670   1.841  -0.558
   86    H    LYS  12           H        LYS  12   5.962   2.473  -2.211
   87    HA   LYS  12           HA       LYS  12   8.332   3.543  -0.922
   88   1HB   LYS  12          1HB       LYS  12   8.701   4.765  -2.926
   89   2HB   LYS  12          2HB       LYS  12   8.133   3.177  -3.419
   90   1HG   LYS  12          1HG       LYS  12   5.884   4.096  -3.755
   91   2HG   LYS  12          2HG       LYS  12   6.480   5.693  -3.292
   92   1HD   LYS  12          1HD       LYS  12   8.051   5.638  -5.180
   93   2HD   LYS  12          2HD       LYS  12   7.424   4.055  -5.646
   94   1HE   LYS  12          1HE       LYS  12   5.200   5.048  -5.965
   95   2HE   LYS  12          2HE       LYS  12   5.852   6.628  -5.534
   96   1HZ   LYS  12          1HZ       LYS  12   5.724   6.394  -7.916
   97   2HZ   LYS  12          2HZ       LYS  12   6.652   4.981  -7.872
   98   3HZ   LYS  12          3HZ       LYS  12   7.348   6.462  -7.447
   99    H    ARG  13           H        ARG  13   4.998   4.168  -1.002
  100    HA   ARG  13           HA       ARG  13   5.338   6.527   0.630
  101   1HB   ARG  13          1HB       ARG  13   5.138   6.978  -2.045
  102   2HB   ARG  13          2HB       ARG  13   3.444   7.003  -1.581
  103   1HG   ARG  13          1HG       ARG  13   4.229   9.234  -1.495
  104   2HG   ARG  13          2HG       ARG  13   4.044   8.690   0.173
  105   1HD   ARG  13          1HD       ARG  13   6.419   8.289   0.347
  106   2HD   ARG  13          2HD       ARG  13   6.643   8.681  -1.358
  107    HE   ARG  13           HE       ARG  13   5.448  10.828   0.096
  108   1HH1  ARG  13          1HH1      ARG  13   8.481   9.266  -0.617
  109   2HH1  ARG  13          2HH1      ARG  13   9.426  10.689  -0.336
  110   1HH2  ARG  13          1HH2      ARG  13   6.686  12.707   0.467
  111   2HH2  ARG  13          2HH2      ARG  13   8.407  12.645   0.280
  112    H    GLY  14           H        GLY  14   4.031   6.140   2.288
  113   1HA   GLY  14          1HA       GLY  14   2.130   5.655   3.485
  114   2HA   GLY  14          2HA       GLY  14   1.236   5.772   1.977
  115    H    GLU  15           H        GLU  15   3.229   3.608   3.937
  116    HA   GLU  15           HA       GLU  15   2.293   1.288   2.447
  117   1HB   GLU  15          1HB       GLU  15   3.886   0.967   4.938
  118   2HB   GLU  15          2HB       GLU  15   4.000   0.099   3.416
  119   1HG   GLU  15          1HG       GLU  15   5.974   1.277   3.460
  120   2HG   GLU  15          2HG       GLU  15   4.939   2.325   2.491
  121    H    ARG  16           H        ARG  16   0.808  -0.180   3.190
  122    HA   ARG  16           HA       ARG  16  -0.027  -0.221   5.933
  123   1HB   ARG  16          1HB       ARG  16  -1.197   1.794   4.947
  124   2HB   ARG  16          2HB       ARG  16  -2.081   0.678   3.916
  125   1HG   ARG  16          1HG       ARG  16  -3.562   0.968   5.634
  126   2HG   ARG  16          2HG       ARG  16  -2.698  -0.470   6.177
  127   1HD   ARG  16          1HD       ARG  16  -2.056   2.353   7.021
  128   2HD   ARG  16          2HD       ARG  16  -3.021   1.218   7.962
  129    HE   ARG  16           HE       ARG  16  -0.315   0.411   7.234
  130   1HH1  ARG  16          1HH1      ARG  16  -2.518   1.594   9.658
  131   2HH1  ARG  16          2HH1      ARG  16  -1.478   1.191  10.983
  132   1HH2  ARG  16          1HH2      ARG  16   1.062  -0.121   8.971
  133   2HH2  ARG  16          2HH2      ARG  16   0.556   0.216  10.593
  134    H    VAL  17           H        VAL  17  -1.412  -1.940   6.446
  135    HA   VAL  17           HA       VAL  17  -1.923  -3.848   4.265
  136    HB   VAL  17           HB       VAL  17  -1.180  -4.760   7.034
  137   1HG1  VAL  17          1HG1      VAL  17  -1.052  -6.107   4.339
  138   2HG1  VAL  17          2HG1      VAL  17  -2.299  -6.357   5.559
  139   3HG1  VAL  17          3HG1      VAL  17  -0.636  -6.842   5.887
  140   1HG2  VAL  17          1HG2      VAL  17   0.685  -3.407   6.252
  141   2HG2  VAL  17          2HG2      VAL  17   0.713  -4.299   4.730
  142   3HG2  VAL  17          3HG2      VAL  17   1.114  -5.117   6.241
  143    H    ARG  18           H        ARG  18  -3.825  -2.065   5.073
  144    HA   ARG  18           HA       ARG  18  -5.542  -3.347   7.038
  145   1HB   ARG  18          1HB       ARG  18  -5.331  -0.868   6.929
  146   2HB   ARG  18          2HB       ARG  18  -6.070  -0.903   5.334
  147   1HG   ARG  18          1HG       ARG  18  -7.736  -0.295   6.931
  148   2HG   ARG  18          2HG       ARG  18  -8.091  -1.923   6.349
  149   1HD   ARG  18          1HD       ARG  18  -7.014  -2.849   8.363
  150   2HD   ARG  18          2HD       ARG  18  -6.734  -1.211   8.948
  151    HE   ARG  18           HE       ARG  18  -9.430  -1.344   8.491
  152   1HH1  ARG  18          1HH1      ARG  18  -7.144  -3.132  10.421
  153   2HH1  ARG  18          2HH1      ARG  18  -8.301  -3.541  11.644
  154   1HH2  ARG  18          1HH2      ARG  18 -10.959  -1.878  10.097
  155   2HH2  ARG  18          2HH2      ARG  18 -10.469  -2.828  11.460
  156    H    GLY  19           H        GLY  19  -5.204  -3.026   3.601
  157   1HA   GLY  19          1HA       GLY  19  -7.439  -4.905   3.251
  158   2HA   GLY  19          2HA       GLY  19  -7.356  -3.458   2.256
  159    H    THR  20           H        THR  20  -5.458  -6.310   3.186
  160    HA   THR  20           HA       THR  20  -3.451  -6.260   1.348
  161    HB   THR  20           HB       THR  20  -3.529  -8.005   2.999
  162    HG1  THR  20           1HG      THR  20  -2.599  -8.408   0.790
  163   1HG2  THR  20          1HG2      THR  20  -5.909  -9.103   1.497
  164   2HG2  THR  20          2HG2      THR  20  -5.959  -8.327   3.079
  165   3HG2  THR  20          3HG2      THR  20  -5.116  -9.862   2.877
  166    H    CYS  21           H        CYS  21  -3.193  -6.552  -0.780
  167    HA   CYS  21           HA       CYS  21  -5.608  -6.921  -2.395
  168   1HB   CYS  21          1HB       CYS  21  -4.098  -4.916  -2.711
  169   2HB   CYS  21          2HB       CYS  21  -2.877  -6.024  -3.326
  170    H    GLY  22           H        GLY  22  -3.780  -9.033  -1.055
  171   1HA   GLY  22          1HA       GLY  22  -4.175 -11.115  -2.820
  172   2HA   GLY  22          2HA       GLY  22  -2.584 -10.480  -3.208
  173    H    ILE  23           H        ILE  23  -1.518 -12.354  -2.563
  174    HA   ILE  23           HA       ILE  23  -1.825 -13.264   0.187
  175    HB   ILE  23           HB       ILE  23  -0.039 -14.318  -2.012
  176   1HG1  ILE  23          1HG1      ILE  23  -2.622 -15.459  -0.925
  177   2HG1  ILE  23          2HG1      ILE  23  -2.504 -14.533  -2.417
  178   1HG2  ILE  23          1HG2      ILE  23  -0.719 -15.479   0.688
  179   2HG2  ILE  23          2HG2      ILE  23   0.843 -14.822   0.199
  180   3HG2  ILE  23          3HG2      ILE  23   0.223 -16.284  -0.569
  181   1HD1  ILE  23          1HD1      ILE  23  -1.000 -16.239  -3.334
  182   2HD1  ILE  23          2HD1      ILE  23  -2.572 -16.900  -2.887
  183   3HD1  ILE  23          3HD1      ILE  23  -1.174 -17.171  -1.847
  184    H    ARG  24           H        ARG  24   1.047 -12.632  -1.832
  185    HA   ARG  24           HA       ARG  24   2.491 -11.774   0.552
  186   1HB   ARG  24          1HB       ARG  24   4.489 -11.872  -0.876
  187   2HB   ARG  24          2HB       ARG  24   3.595 -13.385  -0.906
  188   1HG   ARG  24          1HG       ARG  24   2.558 -12.639  -3.053
  189   2HG   ARG  24          2HG       ARG  24   3.663 -11.262  -3.035
  190   1HD   ARG  24          1HD       ARG  24   4.559 -13.039  -4.423
  191   2HD   ARG  24          2HD       ARG  24   5.569 -12.810  -2.996
  192    HE   ARG  24           HE       ARG  24   3.612 -14.826  -2.565
  193   1HH1  ARG  24          1HH1      ARG  24   6.670 -14.215  -4.124
  194   2HH1  ARG  24          2HH1      ARG  24   7.179 -15.869  -4.058
  195   1HH2  ARG  24          1HH2      ARG  24   4.275 -17.004  -2.475
  196   2HH2  ARG  24          2HH2      ARG  24   5.819 -17.454  -3.121
  197    H    PHE  25           H        PHE  25   0.509 -10.319  -1.548
  198    HA   PHE  25           HA       PHE  25   2.081  -7.938  -2.077
  199   1HB   PHE  25          1HB       PHE  25  -0.847  -8.495  -2.608
  200   2HB   PHE  25          2HB       PHE  25   0.069  -7.118  -3.212
  201    HD1  PHE  25           1HD      PHE  25  -0.679 -10.643  -3.623
  202    HD2  PHE  25           2HD      PHE  25   1.791  -7.435  -4.933
  203    HE1  PHE  25           1HE      PHE  25  -0.049 -11.946  -5.614
  204    HE2  PHE  25           2HE      PHE  25   2.424  -8.731  -6.926
  205    HZ   PHE  25           HZ       PHE  25   1.504 -10.989  -7.268
  206    H    LEU  26           H        LEU  26   0.703  -5.806  -1.679
  207    HA   LEU  26           HA       LEU  26  -0.684  -5.789   0.854
  208   1HB   LEU  26          1HB       LEU  26   0.824  -4.200   1.930
  209   2HB   LEU  26          2HB       LEU  26   1.623  -5.725   1.611
  210    HG   LEU  26           HG       LEU  26   1.935  -3.339  -0.197
  211   1HD1  LEU  26          1HD1      LEU  26   2.651  -2.671   2.018
  212   2HD1  LEU  26          2HD1      LEU  26   4.050  -2.902   0.969
  213   3HD1  LEU  26          3HD1      LEU  26   3.633  -4.129   2.164
  214   1HD2  LEU  26          1HD2      LEU  26   2.572  -5.438  -1.199
  215   2HD2  LEU  26          2HD2      LEU  26   3.537  -5.860   0.217
  216   3HD2  LEU  26          3HD2      LEU  26   4.024  -4.515  -0.815
  217    H    TYR  27           H        TYR  27  -1.129  -3.381   1.488
  218    HA   TYR  27           HA       TYR  27  -2.095  -2.119  -0.975
  219   1HB   TYR  27          1HB       TYR  27  -3.418  -2.776   1.357
  220   2HB   TYR  27          2HB       TYR  27  -3.136  -1.049   1.538
  221    HD1  TYR  27           1HD      TYR  27  -4.038  -3.277  -1.321
  222    HD2  TYR  27           2HD      TYR  27  -4.991   0.190   0.952
  223    HE1  TYR  27           1HE      TYR  27  -5.942  -2.828  -2.815
  224    HE2  TYR  27           2HE      TYR  27  -6.896   0.650  -0.534
  225    HH   TYR  27           HH       TYR  27  -8.065  -1.627  -2.783
  226    H    CYS  28           H        CYS  28  -1.224  -0.319  -1.679
  227    HA   CYS  28           HA       CYS  28   0.332   1.338   0.199
  228   1HB   CYS  28          1HB       CYS  28   0.870   1.004  -2.757
  229   2HB   CYS  28          2HB       CYS  28   1.875   1.848  -1.581
  230    H    CYS  29           H        CYS  29  -0.950   3.032   0.638
  231    HA   CYS  29           HA       CYS  29  -2.442   4.280  -1.558
  232   1HB   CYS  29          1HB       CYS  29  -2.703   4.733   1.421
  233   2HB   CYS  29          2HB       CYS  29  -3.756   5.387   0.171
  234    HA   PRO  30           HA       PRO  30   0.207   7.790  -1.904
  235   1HB   PRO  30          1HB       PRO  30  -2.245   9.466  -1.806
  236   2HB   PRO  30          2HB       PRO  30  -0.979   9.392  -3.037
  237   1HG   PRO  30          1HG       PRO  30  -3.373   8.304  -3.471
  238   2HG   PRO  30          2HG       PRO  30  -1.892   7.520  -4.052
  239   1HD   PRO  30          1HD       PRO  30  -3.605   6.836  -1.700
  240   2HD   PRO  30          2HD       PRO  30  -2.754   5.762  -2.829
  241    H    ARG  31           H        ARG  31   0.406  10.122  -0.944
  242    HA   ARG  31           HA       ARG  31   0.749   9.862   1.840
  243   1HB   ARG  31          1HB       ARG  31   0.742  12.340   0.109
  244   2HB   ARG  31          2HB       ARG  31   1.295  12.285   1.777
  245   1HG   ARG  31          1HG       ARG  31   3.048  10.703   1.145
  246   2HG   ARG  31          2HG       ARG  31   2.496  10.768  -0.530
  247   1HD   ARG  31          1HD       ARG  31   3.490  13.129   1.063
  248   2HD   ARG  31          2HD       ARG  31   4.451  12.217  -0.101
  249    HE   ARG  31           HE       ARG  31   2.639  12.933  -1.743
  250   1HH1  ARG  31          1HH1      ARG  31   3.610  14.832   1.014
  251   2HH1  ARG  31          2HH1      ARG  31   3.194  16.345   0.279
  252   1HH2  ARG  31          1HH2      ARG  31   2.094  14.920  -2.718
  253   2HH2  ARG  31          2HH2      ARG  31   2.333  16.395  -1.842
  254    H    ARG  32           H        ARG  32  -1.202   9.338   2.814
  255    HA   ARG  32           HA       ARG  32  -3.397  11.261   2.597
  256   1HB   ARG  32          1HB       ARG  32  -3.282   8.533   3.897
  257   2HB   ARG  32          2HB       ARG  32  -4.712   9.554   3.822
  258   1HG   ARG  32          1HG       ARG  32  -3.246   8.499   1.414
  259   2HG   ARG  32          2HG       ARG  32  -4.677   7.752   2.127
  260   1HD   ARG  32          1HD       ARG  32  -4.535  10.563   1.041
  261   2HD   ARG  32          2HD       ARG  32  -5.214   9.178   0.187
  262    HE   ARG  32           HE       ARG  32  -6.593   9.227   2.521
  263   1HH1  ARG  32          1HH1      ARG  32  -5.949  11.607   0.058
  264   2HH1  ARG  32          2HH1      ARG  32  -7.440  12.453   0.305
  265   1HH2  ARG  32          1HH2      ARG  32  -8.557  10.334   2.853
  266   2HH2  ARG  32          2HH2      ARG  32  -8.922  11.729   1.893
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  -9.006  13.140  -3.893
    2   2H    GLY   1          2H        GLY   1  -9.315  14.069  -5.273
    3   3H    GLY   1          3H        GLY   1  -7.729  13.889  -4.714
    4   1HA   GLY   1          1HA       GLY   1  -9.447  11.737  -5.823
    5   2HA   GLY   1          2HA       GLY   1  -8.094  12.499  -6.646
    6    H    LEU   2           H        LEU   2  -8.791  10.888  -3.544
    7    HA   LEU   2           HA       LEU   2  -6.135   9.633  -3.700
    8   1HB   LEU   2          1HB       LEU   2  -7.946   9.979  -1.307
    9   2HB   LEU   2          2HB       LEU   2  -6.348   9.259  -1.285
   10    HG   LEU   2           HG       LEU   2  -6.944  12.138  -1.979
   11   1HD1  LEU   2          1HD1      LEU   2  -7.363  11.680   0.371
   12   2HD1  LEU   2          2HD1      LEU   2  -5.900  12.644   0.177
   13   3HD1  LEU   2          3HD1      LEU   2  -5.778  10.919   0.521
   14   1HD2  LEU   2          1HD2      LEU   2  -4.322  10.699  -1.581
   15   2HD2  LEU   2          2HD2      LEU   2  -4.518  12.432  -1.844
   16   3HD2  LEU   2          3HD2      LEU   2  -4.959  11.293  -3.114
   17    H    LEU   3           H        LEU   3  -5.924   7.454  -3.741
   18    HA   LEU   3           HA       LEU   3  -8.122   5.708  -3.065
   19   1HB   LEU   3          1HB       LEU   3  -8.551   6.458  -5.435
   20   2HB   LEU   3          2HB       LEU   3  -7.058   5.658  -5.887
   21    HG   LEU   3           HG       LEU   3  -8.039   3.514  -5.006
   22   1HD1  LEU   3          1HD1      LEU   3 -10.560   5.166  -4.934
   23   2HD1  LEU   3          2HD1      LEU   3  -9.731   4.462  -3.546
   24   3HD1  LEU   3          3HD1      LEU   3 -10.473   3.414  -4.755
   25   1HD2  LEU   3          1HD2      LEU   3  -7.971   3.973  -7.382
   26   2HD2  LEU   3          2HD2      LEU   3  -9.467   4.903  -7.272
   27   3HD2  LEU   3          3HD2      LEU   3  -9.484   3.164  -6.970
   28    H    CYS   4           H        CYS   4  -7.441   3.690  -2.505
   29    HA   CYS   4           HA       CYS   4  -4.609   3.304  -2.195
   30   1HB   CYS   4          1HB       CYS   4  -6.772   1.283  -1.614
   31   2HB   CYS   4          2HB       CYS   4  -5.175   1.400  -0.883
   32    H    TYR   5           H        TYR   5  -3.314   1.756  -3.171
   33    HA   TYR   5           HA       TYR   5  -4.511   0.277  -5.419
   34   1HB   TYR   5          1HB       TYR   5  -1.862   1.739  -5.434
   35   2HB   TYR   5          2HB       TYR   5  -2.469   0.722  -6.737
   36    HD1  TYR   5           1HD      TYR   5  -2.292   4.020  -5.479
   37    HD2  TYR   5           2HD      TYR   5  -4.784   1.409  -7.732
   38    HE1  TYR   5           1HE      TYR   5  -3.432   5.965  -6.460
   39    HE2  TYR   5           2HE      TYR   5  -5.931   3.348  -8.720
   40    HH   TYR   5           HH       TYR   5  -4.739   6.511  -8.473
   41    H    CYS   6           H        CYS   6  -3.501  -1.682  -5.992
   42    HA   CYS   6           HA       CYS   6  -2.376  -3.112  -3.777
   43   1HB   CYS   6          1HB       CYS   6  -3.879  -4.310  -5.199
   44   2HB   CYS   6          2HB       CYS   6  -2.966  -3.875  -6.639
   45    H    ARG   7           H        ARG   7  -0.290  -3.500  -3.334
   46    HA   ARG   7           HA       ARG   7   1.701  -3.020  -5.445
   47   1HB   ARG   7          1HB       ARG   7   1.835  -2.050  -2.588
   48   2HB   ARG   7          2HB       ARG   7   3.184  -2.003  -3.712
   49   1HG   ARG   7          1HG       ARG   7   0.557  -0.607  -4.159
   50   2HG   ARG   7          2HG       ARG   7   1.989   0.153  -3.464
   51   1HD   ARG   7          1HD       ARG   7   3.238  -0.328  -5.506
   52   2HD   ARG   7          2HD       ARG   7   1.816  -1.109  -6.196
   53    HE   ARG   7           HE       ARG   7   1.726   1.724  -5.423
   54   1HH1  ARG   7          1HH1      ARG   7   1.478  -0.777  -7.835
   55   2HH1  ARG   7          2HH1      ARG   7   0.852   0.283  -9.054
   56   1HH2  ARG   7          1HH2      ARG   7   0.903   3.126  -7.019
   57   2HH2  ARG   7          2HH2      ARG   7   0.524   2.502  -8.590
   58    H    LYS   8           H        LYS   8   3.980  -3.694  -4.366
   59    HA   LYS   8           HA       LYS   8   3.647  -6.521  -3.708
   60   1HB   LYS   8          1HB       LYS   8   5.329  -5.228  -5.440
   61   2HB   LYS   8          2HB       LYS   8   6.371  -5.480  -4.047
   62   1HG   LYS   8          1HG       LYS   8   5.914  -7.876  -4.121
   63   2HG   LYS   8          2HG       LYS   8   4.834  -7.631  -5.493
   64   1HD   LYS   8          1HD       LYS   8   6.663  -6.854  -6.857
   65   2HD   LYS   8          2HD       LYS   8   7.764  -6.918  -5.479
   66   1HE   LYS   8          1HE       LYS   8   6.347  -9.289  -6.691
   67   2HE   LYS   8          2HE       LYS   8   8.026  -8.846  -6.992
   68   1HZ   LYS   8          1HZ       LYS   8   6.886  -9.565  -4.345
   69   2HZ   LYS   8          2HZ       LYS   8   8.500  -9.168  -4.650
   70   3HZ   LYS   8          3HZ       LYS   8   7.837 -10.576  -5.310
   71    H    GLY   9           H        GLY   9   6.026  -7.026  -2.470
   72   1HA   GLY   9          1HA       GLY   9   5.571  -6.917   0.181
   73   2HA   GLY   9          2HA       GLY   9   7.195  -6.894  -0.480
   74    H    HIS  10           H        HIS  10   6.944  -4.265  -1.702
   75    HA   HIS  10           HA       HIS  10   6.522  -2.527   0.606
   76   1HB   HIS  10          1HB       HIS  10   8.713  -1.380   0.119
   77   2HB   HIS  10          2HB       HIS  10   8.849  -2.996   0.807
   78    HD1  HIS  10           1HD      HIS  10   8.893  -4.880  -1.359
   79    HD2  HIS  10           2HD      HIS  10  10.518  -1.091  -1.860
   80    HE1  HIS  10           1HE      HIS  10  10.460  -5.076  -3.302
   81    HE2  HIS  10           2HE      HIS  10  11.354  -2.748  -3.662
   82    H    CYS  11           H        CYS  11   5.522  -0.690   0.088
   83    HA   CYS  11           HA       CYS  11   5.031  -0.106  -2.710
   84   1HB   CYS  11          1HB       CYS  11   3.174  -0.004  -1.085
   85   2HB   CYS  11          2HB       CYS  11   4.010   1.276  -0.217
   86    H    LYS  12           H        LYS  12   5.051   2.324  -3.293
   87    HA   LYS  12           HA       LYS  12   7.748   3.242  -2.977
   88   1HB   LYS  12          1HB       LYS  12   7.032   5.104  -4.452
   89   2HB   LYS  12          2HB       LYS  12   6.675   3.518  -5.120
   90   1HG   LYS  12          1HG       LYS  12   4.347   3.741  -4.419
   91   2HG   LYS  12          2HG       LYS  12   4.705   5.331  -3.744
   92   1HD   LYS  12          1HD       LYS  12   3.728   5.682  -5.887
   93   2HD   LYS  12          2HD       LYS  12   5.451   6.030  -6.039
   94   1HE   LYS  12          1HE       LYS  12   4.688   4.733  -7.941
   95   2HE   LYS  12          2HE       LYS  12   5.808   3.783  -6.965
   96   1HZ   LYS  12          1HZ       LYS  12   2.846   3.569  -6.892
   97   2HZ   LYS  12          2HZ       LYS  12   3.923   2.652  -5.964
   98   3HZ   LYS  12          3HZ       LYS  12   3.895   2.476  -7.646
   99    H    ARG  13           H        ARG  13   4.712   3.910  -1.490
  100    HA   ARG  13           HA       ARG  13   5.865   5.371   0.612
  101   1HB   ARG  13          1HB       ARG  13   4.888   7.590   0.178
  102   2HB   ARG  13          2HB       ARG  13   6.106   7.158  -1.008
  103   1HG   ARG  13          1HG       ARG  13   4.395   6.607  -2.620
  104   2HG   ARG  13          2HG       ARG  13   3.134   6.927  -1.429
  105   1HD   ARG  13          1HD       ARG  13   5.120   8.947  -2.463
  106   2HD   ARG  13          2HD       ARG  13   3.445   8.800  -2.994
  107    HE   ARG  13           HE       ARG  13   3.132   9.144  -0.368
  108   1HH1  ARG  13          1HH1      ARG  13   5.135  10.833  -2.666
  109   2HH1  ARG  13          2HH1      ARG  13   5.054  12.342  -1.820
  110   1HH2  ARG  13          1HH2      ARG  13   3.021  11.124   0.752
  111   2HH2  ARG  13          2HH2      ARG  13   3.854  12.508   0.124
  112    H    GLY  14           H        GLY  14   4.564   5.187   2.327
  113   1HA   GLY  14          1HA       GLY  14   2.622   5.030   3.574
  114   2HA   GLY  14          2HA       GLY  14   1.701   5.358   2.115
  115    H    GLU  15           H        GLU  15   3.634   2.793   3.646
  116    HA   GLU  15           HA       GLU  15   2.141   0.765   2.185
  117   1HB   GLU  15          1HB       GLU  15   4.325   0.360   4.233
  118   2HB   GLU  15          2HB       GLU  15   3.718  -0.822   3.083
  119   1HG   GLU  15          1HG       GLU  15   5.720  -0.142   2.150
  120   2HG   GLU  15          2HG       GLU  15   4.524   0.817   1.280
  121    H    ARG  16           H        ARG  16   0.468  -0.333   3.003
  122    HA   ARG  16           HA       ARG  16   0.099  -0.389   5.915
  123   1HB   ARG  16          1HB       ARG  16  -2.040   0.325   3.902
  124   2HB   ARG  16          2HB       ARG  16  -2.313   0.067   5.620
  125   1HG   ARG  16          1HG       ARG  16  -0.966   1.974   6.177
  126   2HG   ARG  16          2HG       ARG  16  -0.501   2.187   4.489
  127   1HD   ARG  16          1HD       ARG  16  -2.818   2.656   3.900
  128   2HD   ARG  16          2HD       ARG  16  -3.306   2.405   5.575
  129    HE   ARG  16           HE       ARG  16  -1.322   4.392   5.481
  130   1HH1  ARG  16          1HH1      ARG  16  -4.654   3.879   4.595
  131   2HH1  ARG  16          2HH1      ARG  16  -5.085   5.549   4.750
  132   1HH2  ARG  16          1HH2      ARG  16  -1.882   6.590   5.685
  133   2HH2  ARG  16          2HH2      ARG  16  -3.510   7.090   5.370
  134    H    VAL  17           H        VAL  17  -1.489  -2.034   6.617
  135    HA   VAL  17           HA       VAL  17  -1.742  -4.258   4.709
  136    HB   VAL  17           HB       VAL  17  -1.062  -4.751   7.596
  137   1HG1  VAL  17          1HG1      VAL  17  -0.376  -6.932   6.771
  138   2HG1  VAL  17          2HG1      VAL  17  -0.736  -6.438   5.116
  139   3HG1  VAL  17          3HG1      VAL  17  -2.039  -6.589   6.295
  140   1HG2  VAL  17          1HG2      VAL  17   0.771  -3.432   6.756
  141   2HG2  VAL  17          2HG2      VAL  17   0.867  -4.422   5.301
  142   3HG2  VAL  17          3HG2      VAL  17   1.281  -5.117   6.868
  143    H    ARG  18           H        ARG  18  -3.850  -2.641   5.089
  144    HA   ARG  18           HA       ARG  18  -5.530  -3.716   7.206
  145   1HB   ARG  18          1HB       ARG  18  -5.690  -1.337   6.792
  146   2HB   ARG  18          2HB       ARG  18  -6.036  -1.615   5.090
  147   1HG   ARG  18          1HG       ARG  18  -8.051  -1.013   6.292
  148   2HG   ARG  18          2HG       ARG  18  -8.159  -2.667   5.689
  149   1HD   ARG  18          1HD       ARG  18  -7.481  -3.474   7.938
  150   2HD   ARG  18          2HD       ARG  18  -7.524  -1.807   8.510
  151    HE   ARG  18           HE       ARG  18  -9.996  -2.348   7.360
  152   1HH1  ARG  18          1HH1      ARG  18  -8.087  -3.452  10.059
  153   2HH1  ARG  18          2HH1      ARG  18  -9.463  -3.879  11.022
  154   1HH2  ARG  18          1HH2      ARG  18 -11.812  -2.911   8.620
  155   2HH2  ARG  18          2HH2      ARG  18 -11.579  -3.573  10.203
  156    H    GLY  19           H        GLY  19  -5.031  -4.020   3.788
  157   1HA   GLY  19          1HA       GLY  19  -6.884  -6.276   3.726
  158   2HA   GLY  19          2HA       GLY  19  -7.194  -4.958   2.602
  159    H    THR  20           H        THR  20  -4.915  -7.468   3.521
  160    HA   THR  20           HA       THR  20  -2.866  -7.135   1.755
  161    HB   THR  20           HB       THR  20  -2.566  -9.578   1.748
  162    HG1  THR  20           1HG      THR  20  -4.690 -10.105   3.410
  163   1HG2  THR  20          1HG2      THR  20  -2.399  -9.898   4.175
  164   2HG2  THR  20          2HG2      THR  20  -3.417  -8.481   4.432
  165   3HG2  THR  20          3HG2      THR  20  -1.823  -8.302   3.697
  166    H    CYS  21           H        CYS  21  -2.489  -7.389  -0.370
  167    HA   CYS  21           HA       CYS  21  -4.777  -7.632  -2.120
  168   1HB   CYS  21          1HB       CYS  21  -3.088  -5.905  -2.536
  169   2HB   CYS  21          2HB       CYS  21  -1.856  -7.145  -2.739
  170    H    GLY  22           H        GLY  22  -2.195  -9.639  -1.003
  171   1HA   GLY  22          1HA       GLY  22  -3.307 -11.962  -2.180
  172   2HA   GLY  22          2HA       GLY  22  -1.915 -11.439  -3.115
  173    H    ILE  23           H        ILE  23  -0.305 -12.793  -2.645
  174    HA   ILE  23           HA       ILE  23  -0.009 -13.925  -0.001
  175    HB   ILE  23           HB       ILE  23   1.660 -14.228  -2.503
  176   1HG1  ILE  23          1HG1      ILE  23   0.763 -16.622  -2.269
  177   2HG1  ILE  23          2HG1      ILE  23  -0.397 -15.953  -1.128
  178   1HG2  ILE  23          1HG2      ILE  23   3.112 -14.481  -0.594
  179   2HG2  ILE  23          2HG2      ILE  23   2.802 -16.063  -1.307
  180   3HG2  ILE  23          3HG2      ILE  23   1.970 -15.584   0.172
  181   1HD1  ILE  23          1HD1      ILE  23  -1.361 -14.573  -2.817
  182   2HD1  ILE  23          2HD1      ILE  23  -1.254 -16.219  -3.442
  183   3HD1  ILE  23          3HD1      ILE  23  -0.090 -15.002  -3.962
  184    H    ARG  24           H        ARG  24   2.494 -12.469  -2.070
  185    HA   ARG  24           HA       ARG  24   3.706 -11.305   0.321
  186   1HB   ARG  24          1HB       ARG  24   5.684 -10.953  -1.078
  187   2HB   ARG  24          2HB       ARG  24   5.159 -12.629  -1.136
  188   1HG   ARG  24          1HG       ARG  24   3.948 -12.004  -3.288
  189   2HG   ARG  24          2HG       ARG  24   4.901 -10.517  -3.250
  190   1HD   ARG  24          1HD       ARG  24   5.958 -12.250  -4.631
  191   2HD   ARG  24          2HD       ARG  24   6.958 -11.806  -3.248
  192    HE   ARG  24           HE       ARG  24   5.228 -14.144  -2.989
  193   1HH1  ARG  24          1HH1      ARG  24   8.428 -12.836  -3.432
  194   2HH1  ARG  24          2HH1      ARG  24   9.228 -14.307  -2.990
  195   1HH2  ARG  24          1HH2      ARG  24   6.274 -16.082  -2.404
  196   2HH2  ARG  24          2HH2      ARG  24   8.005 -16.150  -2.404
  197    H    PHE  25           H        PHE  25   1.349 -10.354  -1.521
  198    HA   PHE  25           HA       PHE  25   2.325  -7.657  -2.105
  199   1HB   PHE  25          1HB       PHE  25  -0.337  -8.937  -2.769
  200   2HB   PHE  25          2HB       PHE  25   0.221  -7.362  -3.322
  201    HD1  PHE  25           1HD      PHE  25   0.479 -10.966  -3.751
  202    HD2  PHE  25           2HD      PHE  25   1.966  -7.184  -5.013
  203    HE1  PHE  25           1HE      PHE  25   1.495 -12.028  -5.723
  204    HE2  PHE  25           2HE      PHE  25   2.986  -8.239  -6.988
  205    HZ   PHE  25           HZ       PHE  25   2.751 -10.664  -7.346
  206    H    LEU  26           H        LEU  26   1.346  -5.811  -1.259
  207    HA   LEU  26           HA       LEU  26  -0.422  -6.253   1.055
  208   1HB   LEU  26          1HB       LEU  26   1.818  -4.234   0.857
  209   2HB   LEU  26          2HB       LEU  26   0.700  -4.384   2.196
  210    HG   LEU  26           HG       LEU  26   1.617  -6.795   2.400
  211   1HD1  LEU  26          1HD1      LEU  26   2.854  -6.867   0.326
  212   2HD1  LEU  26          2HD1      LEU  26   3.967  -6.995   1.688
  213   3HD1  LEU  26          3HD1      LEU  26   3.811  -5.469   0.816
  214   1HD2  LEU  26          1HD2      LEU  26   3.453  -5.991   3.828
  215   2HD2  LEU  26          2HD2      LEU  26   1.962  -5.083   4.075
  216   3HD2  LEU  26          3HD2      LEU  26   3.273  -4.383   3.125
  217    H    TYR  27           H        TYR  27  -1.065  -3.761   1.762
  218    HA   TYR  27           HA       TYR  27  -2.302  -2.688  -0.682
  219   1HB   TYR  27          1HB       TYR  27  -3.578  -3.680   1.540
  220   2HB   TYR  27          2HB       TYR  27  -3.581  -1.945   1.844
  221    HD1  TYR  27           1HD      TYR  27  -5.483  -0.843   1.135
  222    HD2  TYR  27           2HD      TYR  27  -4.112  -4.208  -1.078
  223    HE1  TYR  27           1HE      TYR  27  -7.369  -0.580  -0.419
  224    HE2  TYR  27           2HE      TYR  27  -5.997  -3.953  -2.641
  225    HH   TYR  27           HH       TYR  27  -8.245  -2.965  -2.670
  226    H    CYS  28           H        CYS  28  -1.640  -0.788  -1.298
  227    HA   CYS  28           HA       CYS  28  -0.315   0.976   0.645
  228   1HB   CYS  28          1HB       CYS  28   0.956   0.194  -1.387
  229   2HB   CYS  28          2HB       CYS  28  -0.180   1.108  -2.372
  230    H    CYS  29           H        CYS  29  -0.873   3.171   0.767
  231    HA   CYS  29           HA       CYS  29  -2.894   4.310  -0.898
  232   1HB   CYS  29          1HB       CYS  29  -4.029   2.697   0.861
  233   2HB   CYS  29          2HB       CYS  29  -3.800   4.071   1.937
  234    HA   PRO  30           HA       PRO  30  -0.440   7.681   0.811
  235   1HB   PRO  30          1HB       PRO  30  -1.433   9.634  -0.785
  236   2HB   PRO  30          2HB       PRO  30  -0.231   8.464  -1.342
  237   1HG   PRO  30          1HG       PRO  30  -3.196   8.478  -1.757
  238   2HG   PRO  30          2HG       PRO  30  -1.905   8.113  -2.917
  239   1HD   PRO  30          1HD       PRO  30  -3.335   6.179  -1.675
  240   2HD   PRO  30          2HD       PRO  30  -1.634   5.963  -2.135
  241    H    ARG  31           H        ARG  31  -0.802   9.316   2.273
  242    HA   ARG  31           HA       ARG  31  -3.590   9.665   3.138
  243   1HB   ARG  31          1HB       ARG  31  -2.056   8.720   4.815
  244   2HB   ARG  31          2HB       ARG  31  -1.024  10.136   4.667
  245   1HG   ARG  31          1HG       ARG  31  -2.832  11.546   5.508
  246   2HG   ARG  31          2HG       ARG  31  -3.868  10.124   5.655
  247   1HD   ARG  31          1HD       ARG  31  -2.312   9.148   7.262
  248   2HD   ARG  31          2HD       ARG  31  -1.255  10.550   7.103
  249    HE   ARG  31           HE       ARG  31  -3.885  11.310   7.876
  250   1HH1  ARG  31          1HH1      ARG  31  -0.915   9.950   9.090
  251   2HH1  ARG  31          2HH1      ARG  31  -1.171  10.508  10.709
  252   1HH2  ARG  31          1HH2      ARG  31  -4.230  12.047  10.005
  253   2HH2  ARG  31          2HH2      ARG  31  -3.055  11.699  11.230
  254    H    ARG  32           H        ARG  32  -0.596  11.430   2.478
  255    HA   ARG  32           HA       ARG  32  -2.090  13.957   2.559
  256   1HB   ARG  32          1HB       ARG  32   0.888  13.428   2.554
  257   2HB   ARG  32          2HB       ARG  32   0.159  15.028   2.554
  258   1HG   ARG  32          1HG       ARG  32  -0.255  12.970   4.712
  259   2HG   ARG  32          2HG       ARG  32   0.931  14.276   4.781
  260   1HD   ARG  32          1HD       ARG  32  -0.876  15.919   4.594
  261   2HD   ARG  32          2HD       ARG  32  -2.059  14.612   4.529
  262    HE   ARG  32           HE       ARG  32  -0.606  14.249   6.857
  263   1HH1  ARG  32          1HH1      ARG  32  -2.697  16.677   5.488
  264   2HH1  ARG  32          2HH1      ARG  32  -3.275  17.229   7.025
  265   1HH2  ARG  32          1HH2      ARG  32  -1.362  14.970   8.884
  266   2HH2  ARG  32          2HH2      ARG  32  -2.516  16.260   8.954
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1 -10.166  11.028  -0.056
    2   2H    GLY   1          2H        GLY   1  -9.319  10.022  -1.121
    3   3H    GLY   1          3H        GLY   1  -9.424   9.619   0.518
    4   1HA   GLY   1          1HA       GLY   1 -11.802   9.291   0.335
    5   2HA   GLY   1          2HA       GLY   1 -11.721   9.748  -1.359
    6    H    LEU   2           H        LEU   2 -10.483   8.364  -2.805
    7    HA   LEU   2           HA       LEU   2  -9.849   5.695  -1.853
    8   1HB   LEU   2          1HB       LEU   2 -12.273   5.630  -2.351
    9   2HB   LEU   2          2HB       LEU   2 -11.931   6.135  -3.996
   10    HG   LEU   2           HG       LEU   2 -10.590   4.043  -4.294
   11   1HD1  LEU   2          1HD1      LEU   2 -10.096   3.607  -1.944
   12   2HD1  LEU   2          2HD1      LEU   2 -10.905   2.229  -2.690
   13   3HD1  LEU   2          3HD1      LEU   2 -11.807   3.313  -1.632
   14   1HD2  LEU   2          1HD2      LEU   2 -12.883   4.200  -5.103
   15   2HD2  LEU   2          2HD2      LEU   2 -13.487   3.692  -3.526
   16   3HD2  LEU   2          3HD2      LEU   2 -12.539   2.575  -4.509
   17    H    LEU   3           H        LEU   3  -7.742   6.173  -2.492
   18    HA   LEU   3           HA       LEU   3  -7.264   5.843  -5.340
   19   1HB   LEU   3          1HB       LEU   3  -5.647   7.705  -5.414
   20   2HB   LEU   3          2HB       LEU   3  -7.297   8.239  -5.160
   21    HG   LEU   3           HG       LEU   3  -5.433   7.891  -2.831
   22   1HD1  LEU   3          1HD1      LEU   3  -5.690  10.331  -4.584
   23   2HD1  LEU   3          2HD1      LEU   3  -4.256   9.321  -4.398
   24   3HD1  LEU   3          3HD1      LEU   3  -4.852  10.265  -3.033
   25   1HD2  LEU   3          1HD2      LEU   3  -6.890   9.658  -1.887
   26   2HD2  LEU   3          2HD2      LEU   3  -7.767   8.186  -2.300
   27   3HD2  LEU   3          3HD2      LEU   3  -7.866   9.594  -3.355
   28    H    CYS   4           H        CYS   4  -6.901   3.989  -3.346
   29    HA   CYS   4           HA       CYS   4  -4.121   4.014  -2.528
   30   1HB   CYS   4          1HB       CYS   4  -6.194   1.831  -2.216
   31   2HB   CYS   4          2HB       CYS   4  -4.640   1.923  -1.393
   32    H    TYR   5           H        TYR   5  -2.540   2.551  -3.222
   33    HA   TYR   5           HA       TYR   5  -3.140   1.235  -5.789
   34   1HB   TYR   5          1HB       TYR   5  -0.515   2.403  -4.843
   35   2HB   TYR   5          2HB       TYR   5  -0.774   1.586  -6.381
   36    HD1  TYR   5           1HD      TYR   5  -2.889   2.631  -7.728
   37    HD2  TYR   5           2HD      TYR   5  -0.457   4.700  -4.917
   38    HE1  TYR   5           1HE      TYR   5  -3.527   4.770  -8.760
   39    HE2  TYR   5           2HE      TYR   5  -1.089   6.846  -5.941
   40    HH   TYR   5           HH       TYR   5  -3.657   7.177  -8.080
   41    H    CYS   6           H        CYS   6  -2.317  -0.797  -6.194
   42    HA   CYS   6           HA       CYS   6  -1.679  -2.366  -3.826
   43   1HB   CYS   6          1HB       CYS   6  -3.324  -3.452  -5.053
   44   2HB   CYS   6          2HB       CYS   6  -2.621  -2.987  -6.599
   45    H    ARG   7           H        ARG   7   0.267  -3.241  -3.399
   46    HA   ARG   7           HA       ARG   7   2.260  -3.506  -5.505
   47   1HB   ARG   7          1HB       ARG   7   2.594  -1.712  -3.107
   48   2HB   ARG   7          2HB       ARG   7   3.975  -2.385  -3.963
   49   1HG   ARG   7          1HG       ARG   7   2.872  -1.340  -6.060
   50   2HG   ARG   7          2HG       ARG   7   1.975  -0.371  -4.889
   51   1HD   ARG   7          1HD       ARG   7   4.195   0.244  -3.868
   52   2HD   ARG   7          2HD       ARG   7   4.960  -0.525  -5.257
   53    HE   ARG   7           HE       ARG   7   3.474   1.978  -5.239
   54   1HH1  ARG   7          1HH1      ARG   7   5.095  -0.496  -7.081
   55   2HH1  ARG   7          2HH1      ARG   7   5.283   0.495  -8.489
   56   1HH2  ARG   7          1HH2      ARG   7   3.713   3.288  -7.089
   57   2HH2  ARG   7          2HH2      ARG   7   4.498   2.645  -8.494
   58    H    LYS   8           H        LYS   8   4.222  -4.672  -4.714
   59    HA   LYS   8           HA       LYS   8   3.552  -6.462  -2.467
   60   1HB   LYS   8          1HB       LYS   8   3.389  -7.542  -4.727
   61   2HB   LYS   8          2HB       LYS   8   5.106  -7.232  -4.941
   62   1HG   LYS   8          1HG       LYS   8   5.607  -8.627  -3.001
   63   2HG   LYS   8          2HG       LYS   8   3.885  -8.935  -2.777
   64   1HD   LYS   8          1HD       LYS   8   4.559 -10.815  -3.940
   65   2HD   LYS   8          2HD       LYS   8   3.986  -9.770  -5.239
   66   1HE   LYS   8          1HE       LYS   8   6.863 -10.022  -4.377
   67   2HE   LYS   8          2HE       LYS   8   6.147 -10.880  -5.740
   68   1HZ   LYS   8          1HZ       LYS   8   5.591  -8.678  -6.695
   69   2HZ   LYS   8          2HZ       LYS   8   7.254  -8.953  -6.555
   70   3HZ   LYS   8          3HZ       LYS   8   6.468  -7.946  -5.447
   71    H    GLY   9           H        GLY   9   5.283  -7.216  -1.183
   72   1HA   GLY   9          1HA       GLY   9   7.463  -7.259  -0.356
   73   2HA   GLY   9          2HA       GLY   9   7.957  -6.208  -1.674
   74    H    HIS  10           H        HIS  10   7.579  -3.939  -1.491
   75    HA   HIS  10           HA       HIS  10   6.578  -2.808   0.931
   76   1HB   HIS  10          1HB       HIS  10   8.767  -1.714   1.559
   77   2HB   HIS  10          2HB       HIS  10   8.668  -3.444   1.876
   78    HD1  HIS  10           1HD      HIS  10   9.528  -4.792  -0.538
   79    HD2  HIS  10           2HD      HIS  10  11.216  -1.165   0.575
   80    HE1  HIS  10           1HE      HIS  10  11.728  -4.687  -1.729
   81    HE2  HIS  10           2HE      HIS  10  12.785  -2.531  -0.965
   82    H    CYS  11           H        CYS  11   5.787  -0.858   0.487
   83    HA   CYS  11           HA       CYS  11   6.209   0.294  -2.112
   84   1HB   CYS  11          1HB       CYS  11   4.565   1.158   0.266
   85   2HB   CYS  11          2HB       CYS  11   4.627   2.064  -1.240
   86    H    LYS  12           H        LYS  12   6.496   2.746  -2.238
   87    HA   LYS  12           HA       LYS  12   8.981   3.397  -0.890
   88   1HB   LYS  12          1HB       LYS  12   9.027   5.342  -2.406
   89   2HB   LYS  12          2HB       LYS  12   8.827   3.828  -3.279
   90   1HG   LYS  12          1HG       LYS  12   6.447   4.257  -3.518
   91   2HG   LYS  12          2HG       LYS  12   6.613   5.753  -2.597
   92   1HD   LYS  12          1HD       LYS  12   8.103   6.652  -4.311
   93   2HD   LYS  12          2HD       LYS  12   7.968   5.148  -5.225
   94   1HE   LYS  12          1HE       LYS  12   6.509   6.908  -6.122
   95   2HE   LYS  12          2HE       LYS  12   5.592   5.520  -5.540
   96   1HZ   LYS  12          1HZ       LYS  12   5.138   6.740  -3.495
   97   2HZ   LYS  12          2HZ       LYS  12   4.565   7.580  -4.845
   98   3HZ   LYS  12          3HZ       LYS  12   5.990   8.077  -4.083
   99    H    ARG  13           H        ARG  13   5.645   4.102  -0.625
  100    HA   ARG  13           HA       ARG  13   5.958   5.490   1.805
  101   1HB   ARG  13          1HB       ARG  13   5.226   7.715   1.148
  102   2HB   ARG  13          2HB       ARG  13   6.718   7.298   0.326
  103   1HG   ARG  13          1HG       ARG  13   5.362   6.679  -1.672
  104   2HG   ARG  13          2HG       ARG  13   3.945   7.318  -0.837
  105   1HD   ARG  13          1HD       ARG  13   6.447   8.872  -1.490
  106   2HD   ARG  13          2HD       ARG  13   4.929   8.956  -2.384
  107    HE   ARG  13           HE       ARG  13   4.204   9.563   0.157
  108   1HH1  ARG  13          1HH1      ARG  13   6.636  10.803  -2.010
  109   2HH1  ARG  13          2HH1      ARG  13   6.578  12.408  -1.361
  110   1HH2  ARG  13          1HH2      ARG  13   4.120  11.673   1.014
  111   2HH2  ARG  13          2HH2      ARG  13   5.148  12.902   0.357
  112    H    GLY  14           H        GLY  14   4.138   5.232   2.944
  113   1HA   GLY  14          1HA       GLY  14   1.790   5.302   3.270
  114   2HA   GLY  14          2HA       GLY  14   1.569   5.090   1.541
  115    H    GLU  15           H        GLU  15   3.843   3.049   3.146
  116    HA   GLU  15           HA       GLU  15   2.636   0.669   2.330
  117   1HB   GLU  15          1HB       GLU  15   4.599   1.162   4.575
  118   2HB   GLU  15          2HB       GLU  15   4.179  -0.428   3.953
  119   1HG   GLU  15          1HG       GLU  15   5.176   0.001   1.876
  120   2HG   GLU  15          2HG       GLU  15   5.307   1.729   2.202
  121    H    ARG  16           H        ARG  16   0.790  -0.220   2.989
  122    HA   ARG  16           HA       ARG  16   0.143  -0.178   5.844
  123   1HB   ARG  16          1HB       ARG  16  -1.729   0.682   3.635
  124   2HB   ARG  16          2HB       ARG  16  -2.243   0.336   5.279
  125   1HG   ARG  16          1HG       ARG  16  -0.194   2.428   4.591
  126   2HG   ARG  16          2HG       ARG  16  -1.921   2.758   4.740
  127   1HD   ARG  16          1HD       ARG  16  -0.182   1.585   6.908
  128   2HD   ARG  16          2HD       ARG  16  -0.666   3.278   6.802
  129    HE   ARG  16           HE       ARG  16  -2.937   1.588   6.758
  130   1HH1  ARG  16          1HH1      ARG  16  -0.506   2.857   8.907
  131   2HH1  ARG  16          2HH1      ARG  16  -1.513   2.755  10.313
  132   1HH2  ARG  16          1HH2      ARG  16  -4.269   1.454   8.600
  133   2HH2  ARG  16          2HH2      ARG  16  -3.652   1.958  10.138
  134    H    VAL  17           H        VAL  17  -1.758  -1.628   6.320
  135    HA   VAL  17           HA       VAL  17  -1.996  -3.880   4.461
  136    HB   VAL  17           HB       VAL  17  -1.543  -4.370   7.400
  137   1HG1  VAL  17          1HG1      VAL  17  -1.009  -6.638   6.633
  138   2HG1  VAL  17          2HG1      VAL  17  -1.332  -6.144   4.970
  139   3HG1  VAL  17          3HG1      VAL  17  -2.636  -6.150   6.156
  140   1HG2  VAL  17          1HG2      VAL  17   0.457  -3.264   6.577
  141   2HG2  VAL  17          2HG2      VAL  17   0.541  -4.387   5.219
  142   3HG2  VAL  17          3HG2      VAL  17   0.777  -4.976   6.865
  143    H    ARG  18           H        ARG  18  -3.904  -1.983   4.748
  144    HA   ARG  18           HA       ARG  18  -5.796  -2.493   6.805
  145   1HB   ARG  18          1HB       ARG  18  -5.806  -0.372   5.610
  146   2HB   ARG  18          2HB       ARG  18  -6.133  -1.194   4.093
  147   1HG   ARG  18          1HG       ARG  18  -8.139  -0.145   4.963
  148   2HG   ARG  18          2HG       ARG  18  -8.312  -1.901   4.935
  149   1HD   ARG  18          1HD       ARG  18  -9.199  -0.957   7.004
  150   2HD   ARG  18          2HD       ARG  18  -7.810  -1.995   7.322
  151    HE   ARG  18           HE       ARG  18  -7.299   0.862   7.084
  152   1HH1  ARG  18          1HH1      ARG  18  -7.748  -1.911   9.145
  153   2HH1  ARG  18          2HH1      ARG  18  -7.039  -1.157  10.533
  154   1HH2  ARG  18          1HH2      ARG  18  -6.365   1.865   8.911
  155   2HH2  ARG  18          2HH2      ARG  18  -6.254   0.989  10.400
  156    H    GLY  19           H        GLY  19  -5.216  -3.753   3.622
  157   1HA   GLY  19          1HA       GLY  19  -7.123  -5.913   4.158
  158   2HA   GLY  19          2HA       GLY  19  -7.244  -5.033   2.639
  159    H    THR  20           H        THR  20  -6.161  -5.830   0.974
  160    HA   THR  20           HA       THR  20  -3.533  -6.752   1.027
  161    HB   THR  20           HB       THR  20  -4.286  -8.670   2.277
  162    HG1  THR  20           1HG      THR  20  -3.527 -10.256   0.891
  163   1HG2  THR  20          1HG2      THR  20  -6.667  -8.567   1.661
  164   2HG2  THR  20          2HG2      THR  20  -6.005 -10.189   1.460
  165   3HG2  THR  20          3HG2      THR  20  -6.265  -9.162   0.051
  166    H    CYS  21           H        CYS  21  -2.994  -8.010  -1.046
  167    HA   CYS  21           HA       CYS  21  -4.885  -7.369  -3.199
  168   1HB   CYS  21          1HB       CYS  21  -3.182  -5.567  -3.018
  169   2HB   CYS  21          2HB       CYS  21  -1.924  -6.765  -3.294
  170    H    GLY  22           H        GLY  22  -3.413  -9.742  -1.669
  171   1HA   GLY  22          1HA       GLY  22  -3.830 -11.755  -3.452
  172   2HA   GLY  22          2HA       GLY  22  -2.212 -11.196  -3.845
  173    H    ILE  23           H        ILE  23  -1.205 -13.092  -3.218
  174    HA   ILE  23           HA       ILE  23  -1.630 -14.351  -0.711
  175    HB   ILE  23           HB       ILE  23   0.814 -14.532  -2.480
  176   1HG1  ILE  23          1HG1      ILE  23  -1.642 -16.300  -2.461
  177   2HG1  ILE  23          2HG1      ILE  23  -1.340 -15.039  -3.651
  178   1HG2  ILE  23          1HG2      ILE  23   1.115 -16.727  -1.416
  179   2HG2  ILE  23          2HG2      ILE  23  -0.265 -16.396  -0.368
  180   3HG2  ILE  23          3HG2      ILE  23   1.191 -15.407  -0.248
  181   1HD1  ILE  23          1HD1      ILE  23  -0.762 -17.226  -4.522
  182   2HD1  ILE  23          2HD1      ILE  23   0.363 -17.476  -3.186
  183   3HD1  ILE  23          3HD1      ILE  23   0.674 -16.212  -4.376
  184    H    ARG  24           H        ARG  24   1.388 -12.810  -1.818
  185    HA   ARG  24           HA       ARG  24   1.793 -11.852   0.936
  186   1HB   ARG  24          1HB       ARG  24   4.232 -11.809   0.322
  187   2HB   ARG  24          2HB       ARG  24   3.509 -13.410   0.388
  188   1HG   ARG  24          1HG       ARG  24   3.319 -13.430  -2.046
  189   2HG   ARG  24          2HG       ARG  24   4.041 -11.820  -2.114
  190   1HD   ARG  24          1HD       ARG  24   6.110 -12.630  -1.256
  191   2HD   ARG  24          2HD       ARG  24   5.405 -14.198  -0.868
  192    HE   ARG  24           HE       ARG  24   5.322 -13.481  -3.667
  193   1HH1  ARG  24          1HH1      ARG  24   7.104 -15.064  -1.124
  194   2HH1  ARG  24          2HH1      ARG  24   8.000 -16.076  -2.206
  195   1HH2  ARG  24          1HH2      ARG  24   6.498 -14.812  -5.099
  196   2HH2  ARG  24          2HH2      ARG  24   7.657 -15.933  -4.464
  197    H    PHE  25           H        PHE  25   0.218 -10.426  -0.932
  198    HA   PHE  25           HA       PHE  25   1.916  -8.191  -1.769
  199   1HB   PHE  25          1HB       PHE  25  -0.949  -8.921  -2.385
  200   2HB   PHE  25          2HB       PHE  25  -0.227  -7.390  -2.868
  201    HD1  PHE  25           1HD      PHE  25   0.869  -7.224  -4.894
  202    HD2  PHE  25           2HD      PHE  25   0.271 -11.065  -3.162
  203    HE1  PHE  25           1HE      PHE  25   1.743  -8.277  -6.938
  204    HE2  PHE  25           2HE      PHE  25   1.145 -12.126  -5.203
  205    HZ   PHE  25           HZ       PHE  25   1.883 -10.731  -7.095
  206    H    LEU  26           H        LEU  26   1.505  -6.055  -1.129
  207    HA   LEU  26           HA       LEU  26  -0.093  -5.813   1.333
  208   1HB   LEU  26          1HB       LEU  26   2.248  -4.083   0.546
  209   2HB   LEU  26          2HB       LEU  26   1.410  -4.097   2.085
  210    HG   LEU  26           HG       LEU  26   2.224  -6.569   2.208
  211   1HD1  LEU  26          1HD1      LEU  26   3.097  -6.755  -0.030
  212   2HD1  LEU  26          2HD1      LEU  26   4.427  -6.867   1.123
  213   3HD1  LEU  26          3HD1      LEU  26   4.155  -5.369   0.230
  214   1HD2  LEU  26          1HD2      LEU  26   2.899  -4.787   3.731
  215   2HD2  LEU  26          2HD2      LEU  26   4.106  -4.243   2.567
  216   3HD2  LEU  26          3HD2      LEU  26   4.264  -5.827   3.325
  217    H    TYR  27           H        TYR  27  -1.000  -3.644   1.747
  218    HA   TYR  27           HA       TYR  27  -1.861  -2.422  -0.788
  219   1HB   TYR  27          1HB       TYR  27  -3.412  -3.573   1.202
  220   2HB   TYR  27          2HB       TYR  27  -3.555  -1.844   1.507
  221    HD1  TYR  27           1HD      TYR  27  -5.055  -0.571   0.251
  222    HD2  TYR  27           2HD      TYR  27  -3.805  -4.365  -1.209
  223    HE1  TYR  27           1HE      TYR  27  -6.673  -0.385  -1.591
  224    HE2  TYR  27           2HE      TYR  27  -5.423  -4.192  -3.058
  225    HH   TYR  27           HH       TYR  27  -7.027  -1.291  -3.831
  226    H    CYS  28           H        CYS  28  -1.282  -0.396  -1.149
  227    HA   CYS  28           HA       CYS  28  -0.498   1.251   1.163
  228   1HB   CYS  28          1HB       CYS  28   0.719   1.272  -1.606
  229   2HB   CYS  28          2HB       CYS  28   1.206   2.294  -0.254
  230    H    CYS  29           H        CYS  29  -0.869   3.507   1.009
  231    HA   CYS  29           HA       CYS  29  -2.563   4.440  -1.171
  232   1HB   CYS  29          1HB       CYS  29  -3.825   3.484   0.991
  233   2HB   CYS  29          2HB       CYS  29  -3.524   5.122   1.556
  234    HA   PRO  30           HA       PRO  30   0.251   7.858  -0.386
  235   1HB   PRO  30          1HB       PRO  30  -0.687   9.500  -2.341
  236   2HB   PRO  30          2HB       PRO  30   0.392   8.138  -2.660
  237   1HG   PRO  30          1HG       PRO  30  -2.583   8.308  -2.954
  238   2HG   PRO  30          2HG       PRO  30  -1.389   7.585  -4.050
  239   1HD   PRO  30          1HD       PRO  30  -2.879   6.096  -2.361
  240   2HD   PRO  30          2HD       PRO  30  -1.214   5.657  -2.792
  241    H    ARG  31           H        ARG  31   0.147   9.736   0.752
  242    HA   ARG  31           HA       ARG  31  -2.480  10.522   1.754
  243   1HB   ARG  31          1HB       ARG  31   0.323  11.204   2.649
  244   2HB   ARG  31          2HB       ARG  31  -1.124  11.885   3.380
  245   1HG   ARG  31          1HG       ARG  31  -1.840   9.721   4.121
  246   2HG   ARG  31          2HG       ARG  31  -0.520   8.940   3.247
  247   1HD   ARG  31          1HD       ARG  31  -0.119   9.179   5.694
  248   2HD   ARG  31          2HD       ARG  31   1.110   9.937   4.686
  249    HE   ARG  31           HE       ARG  31   0.050  12.079   5.194
  250   1HH1  ARG  31          1HH1      ARG  31  -0.747   9.363   7.227
  251   2HH1  ARG  31          2HH1      ARG  31  -1.187  10.345   8.584
  252   1HH2  ARG  31          1HH2      ARG  31  -0.527  13.378   6.971
  253   2HH2  ARG  31          2HH2      ARG  31  -1.060  12.628   8.439
  254    H    ARG  32           H        ARG  32   0.384  11.966   0.238
  255    HA   ARG  32           HA       ARG  32  -0.884  14.540  -0.033
  256   1HB   ARG  32          1HB       ARG  32   1.715  13.469  -1.146
  257   2HB   ARG  32          2HB       ARG  32   1.180  15.138  -1.287
  258   1HG   ARG  32          1HG       ARG  32   1.652  13.717   1.325
  259   2HG   ARG  32          2HG       ARG  32   2.826  14.761   0.520
  260   1HD   ARG  32          1HD       ARG  32   0.077  15.597   1.444
  261   2HD   ARG  32          2HD       ARG  32   1.589  15.944   2.284
  262    HE   ARG  32           HE       ARG  32   2.043  16.994  -0.141
  263   1HH1  ARG  32          1HH1      ARG  32  -0.656  17.293   2.046
  264   2HH1  ARG  32          2HH1      ARG  32  -1.059  18.897   1.530
  265   1HH2  ARG  32          1HH2      ARG  32   1.518  19.103  -0.823
  266   2HH2  ARG  32          2HH2      ARG  32   0.177  19.925  -0.099
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  -7.154  11.465  -6.043
    2   2H    GLY   1          2H        GLY   1  -7.395   9.895  -6.626
    3   3H    GLY   1          3H        GLY   1  -6.926  11.128  -7.686
    4   1HA   GLY   1          1HA       GLY   1  -5.045   9.717  -7.188
    5   2HA   GLY   1          2HA       GLY   1  -4.802  11.341  -6.564
    6    H    LEU   2           H        LEU   2  -6.958  10.516  -4.478
    7    HA   LEU   2           HA       LEU   2  -5.016   9.570  -2.538
    8   1HB   LEU   2          1HB       LEU   2  -7.846  10.571  -2.300
    9   2HB   LEU   2          2HB       LEU   2  -6.962   9.914  -0.937
   10    HG   LEU   2           HG       LEU   2  -5.217  11.699  -1.338
   11   1HD1  LEU   2          1HD1      LEU   2  -7.364  12.785  -3.156
   12   2HD1  LEU   2          2HD1      LEU   2  -5.754  12.251  -3.635
   13   3HD1  LEU   2          3HD1      LEU   2  -5.943  13.674  -2.611
   14   1HD2  LEU   2          1HD2      LEU   2  -8.022  12.580  -0.663
   15   2HD2  LEU   2          2HD2      LEU   2  -6.545  13.455  -0.259
   16   3HD2  LEU   2          3HD2      LEU   2  -6.854  11.872   0.453
   17    H    LEU   3           H        LEU   3  -6.476   7.924  -4.731
   18    HA   LEU   3           HA       LEU   3  -7.979   5.979  -3.255
   19   1HB   LEU   3          1HB       LEU   3  -8.457   6.414  -5.605
   20   2HB   LEU   3          2HB       LEU   3  -6.839   5.909  -6.050
   21    HG   LEU   3           HG       LEU   3  -7.363   3.616  -5.274
   22   1HD1  LEU   3          1HD1      LEU   3  -9.064   4.146  -3.622
   23   2HD1  LEU   3          2HD1      LEU   3  -9.695   3.015  -4.820
   24   3HD1  LEU   3          3HD1      LEU   3 -10.144   4.719  -4.895
   25   1HD2  LEU   3          1HD2      LEU   3  -9.291   4.727  -7.308
   26   2HD2  LEU   3          2HD2      LEU   3  -8.833   3.033  -7.132
   27   3HD2  LEU   3          3HD2      LEU   3  -7.630   4.226  -7.625
   28    H    CYS   4           H        CYS   4  -7.383   3.891  -2.692
   29    HA   CYS   4           HA       CYS   4  -4.562   3.539  -2.148
   30   1HB   CYS   4          1HB       CYS   4  -6.741   1.551  -1.541
   31   2HB   CYS   4          2HB       CYS   4  -5.208   1.782  -0.708
   32    H    TYR   5           H        TYR   5  -3.250   1.921  -2.960
   33    HA   TYR   5           HA       TYR   5  -4.366   0.289  -5.139
   34   1HB   TYR   5          1HB       TYR   5  -1.739   1.789  -5.174
   35   2HB   TYR   5          2HB       TYR   5  -2.257   0.640  -6.403
   36    HD1  TYR   5           1HD      TYR   5  -4.219   1.186  -7.845
   37    HD2  TYR   5           2HD      TYR   5  -2.531   4.026  -5.165
   38    HE1  TYR   5           1HE      TYR   5  -5.355   2.998  -9.060
   39    HE2  TYR   5           2HE      TYR   5  -3.663   5.845  -6.371
   40    HH   TYR   5           HH       TYR   5  -4.591   6.263  -8.625
   41    H    CYS   6           H        CYS   6  -3.214  -1.656  -5.607
   42    HA   CYS   6           HA       CYS   6  -1.944  -2.796  -3.229
   43   1HB   CYS   6          1HB       CYS   6  -3.446  -4.394  -3.799
   44   2HB   CYS   6          2HB       CYS   6  -3.557  -3.834  -5.464
   45    H    ARG   7           H        ARG   7   0.108  -3.631  -3.217
   46    HA   ARG   7           HA       ARG   7   1.623  -3.735  -5.705
   47   1HB   ARG   7          1HB       ARG   7   2.412  -1.998  -3.367
   48   2HB   ARG   7          2HB       ARG   7   3.499  -2.428  -4.679
   49   1HG   ARG   7          1HG       ARG   7   1.871  -1.365  -6.255
   50   2HG   ARG   7          2HG       ARG   7   0.990  -0.780  -4.843
   51   1HD   ARG   7          1HD       ARG   7   2.999   0.400  -4.086
   52   2HD   ARG   7          2HD       ARG   7   3.870  -0.178  -5.504
   53    HE   ARG   7           HE       ARG   7   1.525   1.602  -5.674
   54   1HH1  ARG   7          1HH1      ARG   7   4.729   0.657  -6.686
   55   2HH1  ARG   7          2HH1      ARG   7   4.849   1.896  -7.888
   56   1HH2  ARG   7          1HH2      ARG   7   1.684   3.232  -7.254
   57   2HH2  ARG   7          2HH2      ARG   7   3.122   3.358  -8.211
   58    H    LYS   8           H        LYS   8   4.074  -4.281  -4.940
   59    HA   LYS   8           HA       LYS   8   3.850  -6.467  -2.977
   60   1HB   LYS   8          1HB       LYS   8   3.925  -7.376  -5.248
   61   2HB   LYS   8          2HB       LYS   8   5.399  -6.475  -5.575
   62   1HG   LYS   8          1HG       LYS   8   6.462  -7.765  -3.686
   63   2HG   LYS   8          2HG       LYS   8   5.025  -8.788  -3.694
   64   1HD   LYS   8          1HD       LYS   8   6.790  -8.306  -6.092
   65   2HD   LYS   8          2HD       LYS   8   6.925  -9.701  -5.020
   66   1HE   LYS   8          1HE       LYS   8   4.660 -10.378  -5.582
   67   2HE   LYS   8          2HE       LYS   8   4.467  -8.953  -6.601
   68   1HZ   LYS   8          1HZ       LYS   8   6.205  -9.771  -8.044
   69   2HZ   LYS   8          2HZ       LYS   8   4.990 -10.939  -7.891
   70   3HZ   LYS   8          3HZ       LYS   8   6.447 -11.120  -7.051
   71    H    GLY   9           H        GLY   9   5.437  -6.623  -1.481
   72   1HA   GLY   9          1HA       GLY   9   7.350  -6.141  -0.303
   73   2HA   GLY   9          2HA       GLY   9   8.058  -5.584  -1.810
   74    H    HIS  10           H        HIS  10   8.019  -3.409  -2.324
   75    HA   HIS  10           HA       HIS  10   7.328  -1.642  -0.080
   76   1HB   HIS  10          1HB       HIS  10   9.716  -1.808  -1.098
   77   2HB   HIS  10          2HB       HIS  10   9.049  -0.838  -2.406
   78    HD1  HIS  10           1HD      HIS  10   9.314  -0.652   1.385
   79    HD2  HIS  10           2HD      HIS  10   9.244   1.821  -1.953
   80    HE1  HIS  10           1HE      HIS  10   9.711   1.672   2.262
   81    HE2  HIS  10           2HE      HIS  10   9.551   3.163   0.237
   82    H    CYS  11           H        CYS  11   6.753   0.659  -0.828
   83    HA   CYS  11           HA       CYS  11   5.129   0.659  -3.262
   84   1HB   CYS  11          1HB       CYS  11   4.095   1.353  -0.512
   85   2HB   CYS  11          2HB       CYS  11   3.240   1.712  -2.002
   86    H    LYS  12           H        LYS  12   3.949   3.073  -3.125
   87    HA   LYS  12           HA       LYS  12   6.228   4.860  -3.286
   88   1HB   LYS  12          1HB       LYS  12   4.654   6.430  -4.351
   89   2HB   LYS  12          2HB       LYS  12   4.689   4.868  -5.155
   90   1HG   LYS  12          1HG       LYS  12   2.623   4.257  -3.897
   91   2HG   LYS  12          2HG       LYS  12   2.566   5.917  -3.300
   92   1HD   LYS  12          1HD       LYS  12   2.453   6.734  -5.611
   93   2HD   LYS  12          2HD       LYS  12   2.487   5.070  -6.196
   94   1HE   LYS  12          1HE       LYS  12   0.211   5.881  -6.185
   95   2HE   LYS  12          2HE       LYS  12   0.399   4.623  -4.966
   96   1HZ   LYS  12          1HZ       LYS  12   0.615   6.370  -3.284
   97   2HZ   LYS  12          2HZ       LYS  12  -0.871   6.457  -4.087
   98   3HZ   LYS  12          3HZ       LYS  12   0.362   7.551  -4.470
   99    H    ARG  13           H        ARG  13   3.051   4.863  -1.689
  100    HA   ARG  13           HA       ARG  13   4.233   6.354   0.512
  101   1HB   ARG  13          1HB       ARG  13   1.730   7.364  -0.837
  102   2HB   ARG  13          2HB       ARG  13   2.618   8.110   0.478
  103   1HG   ARG  13          1HG       ARG  13   4.437   8.667  -0.950
  104   2HG   ARG  13          2HG       ARG  13   3.748   7.725  -2.274
  105   1HD   ARG  13          1HD       ARG  13   1.881   9.238  -2.438
  106   2HD   ARG  13          2HD       ARG  13   2.433  10.129  -1.021
  107    HE   ARG  13           HE       ARG  13   4.528  10.409  -2.622
  108   1HH1  ARG  13          1HH1      ARG  13   1.125  10.712  -3.306
  109   2HH1  ARG  13          2HH1      ARG  13   1.349  11.888  -4.559
  110   1HH2  ARG  13          1HH2      ARG  13   4.834  11.960  -4.269
  111   2HH2  ARG  13          2HH2      ARG  13   3.458  12.596  -5.107
  112    H    GLY  14           H        GLY  14   3.225   6.029   2.464
  113   1HA   GLY  14          1HA       GLY  14   1.971   4.908   4.023
  114   2HA   GLY  14          2HA       GLY  14   0.630   5.145   2.913
  115    H    GLU  15           H        GLU  15   3.255   2.983   3.815
  116    HA   GLU  15           HA       GLU  15   2.049   0.837   2.225
  117   1HB   GLU  15          1HB       GLU  15   4.615   0.659   3.792
  118   2HB   GLU  15          2HB       GLU  15   4.092  -0.348   2.452
  119   1HG   GLU  15          1HG       GLU  15   5.690   0.999   1.486
  120   2HG   GLU  15          2HG       GLU  15   4.191   1.829   1.079
  121    H    ARG  16           H        ARG  16   0.493  -0.268   3.261
  122    HA   ARG  16           HA       ARG  16   1.066  -1.247   5.953
  123   1HB   ARG  16          1HB       ARG  16  -1.450   0.245   5.201
  124   2HB   ARG  16          2HB       ARG  16  -1.244  -0.665   6.692
  125   1HG   ARG  16          1HG       ARG  16   0.661   0.815   7.270
  126   2HG   ARG  16          2HG       ARG  16   0.297   1.774   5.834
  127   1HD   ARG  16          1HD       ARG  16  -0.690   2.798   7.798
  128   2HD   ARG  16          2HD       ARG  16  -1.951   2.213   6.713
  129    HE   ARG  16           HE       ARG  16  -1.202   0.372   8.809
  130   1HH1  ARG  16          1HH1      ARG  16  -3.314   2.980   7.861
  131   2HH1  ARG  16          2HH1      ARG  16  -4.531   2.587   9.028
  132   1HH2  ARG  16          1HH2      ARG  16  -2.800  -0.149  10.347
  133   2HH2  ARG  16          2HH2      ARG  16  -4.242   0.808  10.440
  134    H    VAL  17           H        VAL  17  -1.201  -2.506   6.585
  135    HA   VAL  17           HA       VAL  17  -1.919  -4.222   4.321
  136    HB   VAL  17           HB       VAL  17  -1.215  -5.398   7.008
  137   1HG1  VAL  17          1HG1      VAL  17  -1.588  -6.615   4.273
  138   2HG1  VAL  17          2HG1      VAL  17  -2.695  -6.744   5.639
  139   3HG1  VAL  17          3HG1      VAL  17  -1.101  -7.493   5.723
  140   1HG2  VAL  17          1HG2      VAL  17   0.555  -5.173   4.575
  141   2HG2  VAL  17          2HG2      VAL  17   0.907  -6.142   6.004
  142   3HG2  VAL  17          3HG2      VAL  17   0.809  -4.386   6.133
  143    H    ARG  18           H        ARG  18  -3.631  -2.348   5.089
  144    HA   ARG  18           HA       ARG  18  -5.321  -2.929   7.265
  145   1HB   ARG  18          1HB       ARG  18  -5.351  -0.770   6.058
  146   2HB   ARG  18          2HB       ARG  18  -6.024  -1.577   4.648
  147   1HG   ARG  18          1HG       ARG  18  -8.048  -2.087   5.837
  148   2HG   ARG  18          2HG       ARG  18  -7.370  -1.456   7.338
  149   1HD   ARG  18          1HD       ARG  18  -8.875   0.167   6.341
  150   2HD   ARG  18          2HD       ARG  18  -7.219   0.770   6.322
  151    HE   ARG  18           HE       ARG  18  -8.406  -0.474   3.935
  152   1HH1  ARG  18          1HH1      ARG  18  -6.847   2.212   5.517
  153   2HH1  ARG  18          2HH1      ARG  18  -6.604   3.100   4.050
  154   1HH2  ARG  18          1HH2      ARG  18  -8.088   0.684   2.002
  155   2HH2  ARG  18          2HH2      ARG  18  -7.311   2.231   2.051
  156    H    GLY  19           H        GLY  19  -5.618  -3.684   3.821
  157   1HA   GLY  19          1HA       GLY  19  -7.500  -5.849   4.517
  158   2HA   GLY  19          2HA       GLY  19  -7.451  -5.026   2.960
  159    H    THR  20           H        THR  20  -6.444  -6.071   1.377
  160    HA   THR  20           HA       THR  20  -3.920  -7.228   1.553
  161    HB   THR  20           HB       THR  20  -4.781  -8.982   2.898
  162    HG1  THR  20           1HG      THR  20  -4.830 -10.721   1.014
  163   1HG2  THR  20          1HG2      THR  20  -7.158  -8.710   2.468
  164   2HG2  THR  20          2HG2      THR  20  -6.689 -10.388   2.193
  165   3HG2  THR  20          3HG2      THR  20  -6.952  -9.310   0.822
  166    H    CYS  21           H        CYS  21  -3.266  -8.330  -0.416
  167    HA   CYS  21           HA       CYS  21  -5.105  -7.855  -2.660
  168   1HB   CYS  21          1HB       CYS  21  -3.458  -6.076  -2.654
  169   2HB   CYS  21          2HB       CYS  21  -2.147  -7.245  -2.552
  170    H    GLY  22           H        GLY  22  -2.645  -9.822  -1.196
  171   1HA   GLY  22          1HA       GLY  22  -3.423 -12.110  -2.719
  172   2HA   GLY  22          2HA       GLY  22  -1.862 -11.496  -3.241
  173    H    ILE  23           H        ILE  23  -0.519 -13.065  -2.515
  174    HA   ILE  23           HA       ILE  23  -0.764 -14.020   0.230
  175    HB   ILE  23           HB       ILE  23   1.199 -14.852  -1.912
  176   1HG1  ILE  23          1HG1      ILE  23  -1.313 -16.254  -0.972
  177   2HG1  ILE  23          2HG1      ILE  23  -1.190 -15.327  -2.464
  178   1HG2  ILE  23          1HG2      ILE  23   2.001 -15.278   0.354
  179   2HG2  ILE  23          2HG2      ILE  23   1.613 -16.786  -0.474
  180   3HG2  ILE  23          3HG2      ILE  23   0.504 -16.130   0.730
  181   1HD1  ILE  23          1HD1      ILE  23   0.505 -16.879  -3.284
  182   2HD1  ILE  23          2HD1      ILE  23  -1.000 -17.707  -2.886
  183   3HD1  ILE  23          3HD1      ILE  23   0.378 -17.806  -1.790
  184    H    ARG  24           H        ARG  24   1.928 -12.881  -1.813
  185    HA   ARG  24           HA       ARG  24   3.268 -11.893   0.598
  186   1HB   ARG  24          1HB       ARG  24   5.296 -11.815  -0.734
  187   2HB   ARG  24          2HB       ARG  24   4.551 -13.400  -0.876
  188   1HG   ARG  24          1HG       ARG  24   3.979 -11.307  -2.926
  189   2HG   ARG  24          2HG       ARG  24   5.497 -12.205  -2.981
  190   1HD   ARG  24          1HD       ARG  24   4.244 -14.310  -3.033
  191   2HD   ARG  24          2HD       ARG  24   2.730 -13.408  -2.985
  192    HE   ARG  24           HE       ARG  24   4.144 -12.450  -5.159
  193   1HH1  ARG  24          1HH1      ARG  24   2.801 -15.493  -4.118
  194   2HH1  ARG  24          2HH1      ARG  24   2.512 -16.063  -5.727
  195   1HH2  ARG  24          1HH2      ARG  24   3.766 -13.192  -7.281
  196   2HH2  ARG  24          2HH2      ARG  24   3.061 -14.755  -7.526
  197    H    PHE  25           H        PHE  25   1.004 -10.615  -0.993
  198    HA   PHE  25           HA       PHE  25   2.306  -8.121  -1.805
  199   1HB   PHE  25          1HB       PHE  25  -0.539  -9.078  -2.175
  200   2HB   PHE  25          2HB       PHE  25   0.081  -7.531  -2.743
  201    HD1  PHE  25           1HD      PHE  25   1.322  -7.369  -4.748
  202    HD2  PHE  25           2HD      PHE  25   0.333 -11.190  -3.154
  203    HE1  PHE  25           1HE      PHE  25   2.043  -8.429  -6.849
  204    HE2  PHE  25           2HE      PHE  25   1.052 -12.256  -5.250
  205    HZ   PHE  25           HZ       PHE  25   1.909 -10.876  -7.102
  206    H    LEU  26           H        LEU  26   0.639  -6.175  -1.335
  207    HA   LEU  26           HA       LEU  26  -0.558  -6.280   1.275
  208   1HB   LEU  26          1HB       LEU  26   0.853  -4.682   2.367
  209   2HB   LEU  26          2HB       LEU  26   1.845  -6.016   1.816
  210    HG   LEU  26           HG       LEU  26   1.608  -3.430   0.289
  211   1HD1  LEU  26          1HD1      LEU  26   3.685  -4.208   2.330
  212   2HD1  LEU  26          2HD1      LEU  26   2.463  -2.952   2.524
  213   3HD1  LEU  26          3HD1      LEU  26   3.727  -2.773   1.305
  214   1HD2  LEU  26          1HD2      LEU  26   3.592  -5.701   0.220
  215   2HD2  LEU  26          2HD2      LEU  26   3.755  -4.190  -0.674
  216   3HD2  LEU  26          3HD2      LEU  26   2.418  -5.282  -1.028
  217    H    TYR  27           H        TYR  27  -1.353  -4.053   1.942
  218    HA   TYR  27           HA       TYR  27  -2.300  -2.705  -0.495
  219   1HB   TYR  27          1HB       TYR  27  -3.742  -3.790   1.597
  220   2HB   TYR  27          2HB       TYR  27  -3.745  -2.062   1.952
  221    HD1  TYR  27           1HD      TYR  27  -5.171  -0.613   0.777
  222    HD2  TYR  27           2HD      TYR  27  -4.479  -4.540  -0.700
  223    HE1  TYR  27           1HE      TYR  27  -6.927  -0.278  -0.911
  224    HE2  TYR  27           2HE      TYR  27  -6.238  -4.220  -2.392
  225    HH   TYR  27           HH       TYR  27  -7.549  -1.198  -3.132
  226    H    CYS  28           H        CYS  28  -1.519  -0.785  -0.923
  227    HA   CYS  28           HA       CYS  28  -0.516   0.858   1.307
  228   1HB   CYS  28          1HB       CYS  28   0.541   0.735  -1.524
  229   2HB   CYS  28          2HB       CYS  28   1.150   1.783  -0.248
  230    H    CYS  29           H        CYS  29  -1.567   2.688   1.614
  231    HA   CYS  29           HA       CYS  29  -2.966   3.911  -0.671
  232   1HB   CYS  29          1HB       CYS  29  -4.383   2.777   1.176
  233   2HB   CYS  29          2HB       CYS  29  -3.932   4.161   2.166
  234    HA   PRO  30           HA       PRO  30  -0.486   7.460   0.362
  235   1HB   PRO  30          1HB       PRO  30  -1.766   9.322  -1.121
  236   2HB   PRO  30          2HB       PRO  30  -0.739   8.077  -1.841
  237   1HG   PRO  30          1HG       PRO  30  -3.723   8.160  -1.594
  238   2HG   PRO  30          2HG       PRO  30  -2.728   7.684  -2.984
  239   1HD   PRO  30          1HD       PRO  30  -3.876   5.880  -1.315
  240   2HD   PRO  30          2HD       PRO  30  -2.334   5.578  -2.141
  241    H    ARG  31           H        ARG  31  -0.513   8.770   2.073
  242    HA   ARG  31           HA       ARG  31  -3.096   9.861   2.980
  243   1HB   ARG  31          1HB       ARG  31  -0.837   8.872   4.733
  244   2HB   ARG  31          2HB       ARG  31  -2.334   9.602   5.300
  245   1HG   ARG  31          1HG       ARG  31  -3.603   7.739   4.360
  246   2HG   ARG  31          2HG       ARG  31  -2.104   7.007   3.786
  247   1HD   ARG  31          1HD       ARG  31  -2.808   5.965   5.859
  248   2HD   ARG  31          2HD       ARG  31  -1.306   6.854   6.101
  249    HE   ARG  31           HE       ARG  31  -3.516   8.492   6.740
  250   1HH1  ARG  31          1HH1      ARG  31  -1.710   5.762   7.938
  251   2HH1  ARG  31          2HH1      ARG  31  -2.079   6.083   9.599
  252   1HH2  ARG  31          1HH2      ARG  31  -4.009   8.919   8.924
  253   2HH2  ARG  31          2HH2      ARG  31  -3.387   7.878  10.160
  254    H    ARG  32           H        ARG  32  -2.715  11.837   1.975
  255    HA   ARG  32           HA       ARG  32  -0.295  13.317   2.540
  256   1HB   ARG  32          1HB       ARG  32  -1.354  13.464   0.329
  257   2HB   ARG  32          2HB       ARG  32  -2.806  14.130   1.063
  258   1HG   ARG  32          1HG       ARG  32  -1.515  16.079   1.813
  259   2HG   ARG  32          2HG       ARG  32  -0.083  15.415   1.021
  260   1HD   ARG  32          1HD       ARG  32  -1.193  17.111  -0.363
  261   2HD   ARG  32          2HD       ARG  32  -1.193  15.526  -1.135
  262    HE   ARG  32           HE       ARG  32  -3.574  16.134   0.381
  263   1HH1  ARG  32          1HH1      ARG  32  -2.003  16.279  -2.728
  264   2HH1  ARG  32          2HH1      ARG  32  -3.487  16.407  -3.613
  265   1HH2  ARG  32          1HH2      ARG  32  -5.528  16.304  -0.779
  266   2HH2  ARG  32          2HH2      ARG  32  -5.488  16.420  -2.507
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1 -12.076  11.132  -4.341
    2   2H    GLY   1          2H        GLY   1 -13.232  10.803  -3.151
    3   3H    GLY   1          3H        GLY   1 -12.567   9.538  -4.055
    4   1HA   GLY   1          1HA       GLY   1 -11.071  11.267  -2.163
    5   2HA   GLY   1          2HA       GLY   1 -11.625   9.635  -1.817
    6    H    LEU   2           H        LEU   2  -9.117   9.784  -1.403
    7    HA   LEU   2           HA       LEU   2  -7.488   9.457  -3.754
    8   1HB   LEU   2          1HB       LEU   2  -6.847   8.956  -0.845
    9   2HB   LEU   2          2HB       LEU   2  -5.681   8.986  -2.153
   10    HG   LEU   2           HG       LEU   2  -7.344  11.345  -1.260
   11   1HD1  LEU   2          1HD1      LEU   2  -5.684  10.711   0.410
   12   2HD1  LEU   2          2HD1      LEU   2  -5.245  12.227  -0.377
   13   3HD1  LEU   2          3HD1      LEU   2  -4.423  10.731  -0.823
   14   1HD2  LEU   2          1HD2      LEU   2  -5.864  12.639  -2.725
   15   2HD2  LEU   2          2HD2      LEU   2  -6.789  11.441  -3.630
   16   3HD2  LEU   2          3HD2      LEU   2  -5.090  11.146  -3.258
   17    H    LEU   3           H        LEU   3  -7.411   7.648  -4.902
   18    HA   LEU   3           HA       LEU   3  -8.360   5.152  -3.787
   19   1HB   LEU   3          1HB       LEU   3  -7.291   5.789  -6.538
   20   2HB   LEU   3          2HB       LEU   3  -8.034   4.273  -6.066
   21    HG   LEU   3           HG       LEU   3  -9.439   6.947  -6.084
   22   1HD1  LEU   3          1HD1      LEU   3 -10.631   6.057  -8.036
   23   2HD1  LEU   3          2HD1      LEU   3  -9.579   4.642  -8.022
   24   3HD1  LEU   3          3HD1      LEU   3  -8.904   6.239  -8.339
   25   1HD2  LEU   3          1HD2      LEU   3 -10.358   5.418  -4.432
   26   2HD2  LEU   3          2HD2      LEU   3 -10.475   4.147  -5.649
   27   3HD2  LEU   3          3HD2      LEU   3 -11.468   5.599  -5.790
   28    H    CYS   4           H        CYS   4  -7.173   3.337  -3.380
   29    HA   CYS   4           HA       CYS   4  -4.312   3.725  -3.048
   30   1HB   CYS   4          1HB       CYS   4  -5.970   1.308  -2.312
   31   2HB   CYS   4          2HB       CYS   4  -4.359   1.708  -1.730
   32    H    TYR   5           H        TYR   5  -3.054   1.498  -3.425
   33    HA   TYR   5           HA       TYR   5  -3.801   0.327  -5.995
   34   1HB   TYR   5          1HB       TYR   5  -1.161   1.700  -5.460
   35   2HB   TYR   5          2HB       TYR   5  -1.475   0.664  -6.848
   36    HD1  TYR   5           1HD      TYR   5  -2.998   1.399  -8.630
   37    HD2  TYR   5           2HD      TYR   5  -2.054   3.936  -5.347
   38    HE1  TYR   5           1HE      TYR   5  -3.877   3.329  -9.876
   39    HE2  TYR   5           2HE      TYR   5  -2.933   5.873  -6.583
   40    HH   TYR   5           HH       TYR   5  -3.336   6.533  -8.924
   41    H    CYS   6           H        CYS   6  -2.253  -1.483  -6.583
   42    HA   CYS   6           HA       CYS   6  -1.732  -3.050  -4.163
   43   1HB   CYS   6          1HB       CYS   6  -3.214  -4.063  -5.831
   44   2HB   CYS   6          2HB       CYS   6  -1.956  -3.915  -7.054
   45    H    ARG   7           H        ARG   7   0.274  -3.308  -3.465
   46    HA   ARG   7           HA       ARG   7   2.491  -3.046  -5.392
   47   1HB   ARG   7          1HB       ARG   7   2.391  -2.153  -2.506
   48   2HB   ARG   7          2HB       ARG   7   3.843  -2.151  -3.495
   49   1HG   ARG   7          1HG       ARG   7   1.352  -0.603  -4.160
   50   2HG   ARG   7          2HG       ARG   7   2.727   0.060  -3.276
   51   1HD   ARG   7          1HD       ARG   7   4.181  -0.433  -5.184
   52   2HD   ARG   7          2HD       ARG   7   2.800  -1.084  -6.065
   53    HE   ARG   7           HE       ARG   7   2.770   1.708  -5.160
   54   1HH1  ARG   7          1HH1      ARG   7   2.763  -0.649  -7.721
   55   2HH1  ARG   7          2HH1      ARG   7   2.375   0.501  -8.957
   56   1HH2  ARG   7          1HH2      ARG   7   2.257   3.232  -6.774
   57   2HH2  ARG   7          2HH2      ARG   7   2.087   2.712  -8.417
   58    H    LYS   8           H        LYS   8   4.303  -4.392  -5.081
   59    HA   LYS   8           HA       LYS   8   3.736  -6.772  -3.449
   60   1HB   LYS   8          1HB       LYS   8   3.943  -7.247  -5.823
   61   2HB   LYS   8          2HB       LYS   8   5.502  -6.437  -5.879
   62   1HG   LYS   8          1HG       LYS   8   6.434  -8.139  -4.385
   63   2HG   LYS   8          2HG       LYS   8   4.870  -8.957  -4.355
   64   1HD   LYS   8          1HD       LYS   8   5.005  -9.345  -6.751
   65   2HD   LYS   8          2HD       LYS   8   6.531  -8.462  -6.827
   66   1HE   LYS   8          1HE       LYS   8   7.561 -10.127  -5.356
   67   2HE   LYS   8          2HE       LYS   8   6.036 -11.007  -5.284
   68   1HZ   LYS   8          1HZ       LYS   8   7.608 -10.517  -7.755
   69   2HZ   LYS   8          2HZ       LYS   8   6.178 -11.413  -7.647
   70   3HZ   LYS   8          3HZ       LYS   8   7.583 -11.970  -6.887
   71    H    GLY   9           H        GLY   9   5.046  -7.333  -1.820
   72   1HA   GLY   9          1HA       GLY   9   6.944  -7.445  -0.500
   73   2HA   GLY   9          2HA       GLY   9   7.808  -6.531  -1.727
   74    H    HIS  10           H        HIS  10   7.388  -4.183  -1.806
   75    HA   HIS  10           HA       HIS  10   6.297  -2.983   0.590
   76   1HB   HIS  10          1HB       HIS  10   8.420  -1.693   1.010
   77   2HB   HIS  10          2HB       HIS  10   8.502  -3.409   1.398
   78    HD1  HIS  10           1HD      HIS  10   9.328  -4.799  -0.990
   79    HD2  HIS  10           2HD      HIS  10  10.709  -0.959  -0.214
   80    HE1  HIS  10           1HE      HIS  10  11.409  -4.548  -2.358
   81    HE2  HIS  10           2HE      HIS  10  12.286  -2.251  -1.806
   82    H    CYS  11           H        CYS  11   5.884  -0.751   0.386
   83    HA   CYS  11           HA       CYS  11   5.878   0.174  -2.395
   84   1HB   CYS  11          1HB       CYS  11   3.721   0.089  -1.126
   85   2HB   CYS  11          2HB       CYS  11   4.366   1.308  -0.035
   86    H    LYS  12           H        LYS  12   6.139   2.581  -2.685
   87    HA   LYS  12           HA       LYS  12   8.652   3.367  -1.558
   88   1HB   LYS  12          1HB       LYS  12   8.006   5.553  -2.903
   89   2HB   LYS  12          2HB       LYS  12   8.565   4.102  -3.721
   90   1HG   LYS  12          1HG       LYS  12   6.251   3.473  -4.192
   91   2HG   LYS  12          2HG       LYS  12   5.690   4.931  -3.372
   92   1HD   LYS  12          1HD       LYS  12   6.885   6.310  -5.003
   93   2HD   LYS  12          2HD       LYS  12   7.457   4.853  -5.818
   94   1HE   LYS  12          1HE       LYS  12   4.585   5.719  -5.512
   95   2HE   LYS  12          2HE       LYS  12   5.545   5.802  -6.987
   96   1HZ   LYS  12          1HZ       LYS  12   5.726   3.394  -6.962
   97   2HZ   LYS  12          2HZ       LYS  12   4.102   3.868  -6.981
   98   3HZ   LYS  12          3HZ       LYS  12   4.803   3.313  -5.545
   99    H    ARG  13           H        ARG  13   5.300   4.366  -1.169
  100    HA   ARG  13           HA       ARG  13   5.846   5.397   1.427
  101   1HB   ARG  13          1HB       ARG  13   5.368   7.716   1.095
  102   2HB   ARG  13          2HB       ARG  13   6.657   7.273  -0.007
  103   1HG   ARG  13          1HG       ARG  13   3.809   7.296  -0.924
  104   2HG   ARG  13          2HG       ARG  13   4.754   8.783  -0.851
  105   1HD   ARG  13          1HD       ARG  13   6.412   7.844  -2.339
  106   2HD   ARG  13          2HD       ARG  13   5.570   6.297  -2.344
  107    HE   ARG  13           HE       ARG  13   3.712   7.484  -3.470
  108   1HH1  ARG  13          1HH1      ARG  13   6.920   8.844  -3.569
  109   2HH1  ARG  13          2HH1      ARG  13   6.646   9.710  -5.043
  110   1HH2  ARG  13          1HH2      ARG  13   3.344   8.622  -5.411
  111   2HH2  ARG  13          2HH2      ARG  13   4.614   9.586  -6.089
  112    H    GLY  14           H        GLY  14   4.076   5.269   2.659
  113   1HA   GLY  14          1HA       GLY  14   1.758   5.486   3.112
  114   2HA   GLY  14          2HA       GLY  14   1.437   5.359   1.389
  115    H    GLU  15           H        GLU  15   3.528   3.180   3.184
  116    HA   GLU  15           HA       GLU  15   2.191   0.882   2.200
  117   1HB   GLU  15          1HB       GLU  15   4.304   1.275   4.312
  118   2HB   GLU  15          2HB       GLU  15   3.670  -0.312   3.900
  119   1HG   GLU  15          1HG       GLU  15   4.505  -0.187   1.706
  120   2HG   GLU  15          2HG       GLU  15   4.883   1.528   1.862
  121    H    ARG  16           H        ARG  16   0.414  -0.065   2.917
  122    HA   ARG  16           HA       ARG  16  -0.257   0.062   5.763
  123   1HB   ARG  16          1HB       ARG  16  -2.071   0.908   3.504
  124   2HB   ARG  16          2HB       ARG  16  -2.666   0.508   5.110
  125   1HG   ARG  16          1HG       ARG  16  -0.652   2.669   4.530
  126   2HG   ARG  16          2HG       ARG  16  -2.386   2.936   4.716
  127   1HD   ARG  16          1HD       ARG  16  -2.250   1.974   6.991
  128   2HD   ARG  16          2HD       ARG  16  -0.504   1.826   6.795
  129    HE   ARG  16           HE       ARG  16  -1.300   4.489   6.311
  130   1HH1  ARG  16          1HH1      ARG  16  -0.916   2.197   8.906
  131   2HH1  ARG  16          2HH1      ARG  16  -0.623   3.409  10.108
  132   1HH2  ARG  16          1HH2      ARG  16  -0.916   6.093   7.885
  133   2HH2  ARG  16          2HH2      ARG  16  -0.623   5.625   9.527
  134    H    VAL  17           H        VAL  17  -1.905  -1.514   6.394
  135    HA   VAL  17           HA       VAL  17  -2.129  -3.770   4.518
  136    HB   VAL  17           HB       VAL  17  -1.739  -4.220   7.465
  137   1HG1  VAL  17          1HG1      VAL  17  -1.088  -6.449   6.754
  138   2HG1  VAL  17          2HG1      VAL  17  -1.251  -5.976   5.062
  139   3HG1  VAL  17          3HG1      VAL  17  -2.675  -6.038   6.101
  140   1HG2  VAL  17          1HG2      VAL  17   0.640  -4.691   6.991
  141   2HG2  VAL  17          2HG2      VAL  17   0.220  -2.995   6.759
  142   3HG2  VAL  17          3HG2      VAL  17   0.418  -4.052   5.363
  143    H    ARG  18           H        ARG  18  -4.126  -1.948   4.754
  144    HA   ARG  18           HA       ARG  18  -6.073  -2.876   6.695
  145   1HB   ARG  18          1HB       ARG  18  -5.957  -0.488   6.195
  146   2HB   ARG  18          2HB       ARG  18  -6.275  -0.809   4.495
  147   1HG   ARG  18          1HG       ARG  18  -8.489  -1.712   5.116
  148   2HG   ARG  18          2HG       ARG  18  -8.165  -1.269   6.794
  149   1HD   ARG  18          1HD       ARG  18  -7.993   1.067   6.176
  150   2HD   ARG  18          2HD       ARG  18  -8.207   0.657   4.474
  151    HE   ARG  18           HE       ARG  18 -10.323   0.040   6.416
  152   1HH1  ARG  18          1HH1      ARG  18  -9.201   1.737   3.587
  153   2HH1  ARG  18          2HH1      ARG  18 -10.782   2.267   3.118
  154   1HH2  ARG  18          1HH2      ARG  18 -12.409   0.732   5.807
  155   2HH2  ARG  18          2HH2      ARG  18 -12.607   1.693   4.379
  156    H    GLY  19           H        GLY  19  -5.388  -3.143   3.281
  157   1HA   GLY  19          1HA       GLY  19  -7.407  -5.266   3.084
  158   2HA   GLY  19          2HA       GLY  19  -7.443  -3.956   1.911
  159    H    THR  20           H        THR  20  -5.523  -6.627   3.154
  160    HA   THR  20           HA       THR  20  -3.289  -6.565   1.598
  161    HB   THR  20           HB       THR  20  -3.558  -8.283   3.258
  162    HG1  THR  20           1HG      THR  20  -2.213  -8.775   1.431
  163   1HG2  THR  20          1HG2      THR  20  -5.694  -9.444   1.466
  164   2HG2  THR  20          2HG2      THR  20  -5.966  -8.658   3.022
  165   3HG2  THR  20          3HG2      THR  20  -5.076 -10.179   2.946
  166    H    CYS  21           H        CYS  21  -2.696  -7.058  -0.445
  167    HA   CYS  21           HA       CYS  21  -4.842  -7.321  -2.408
  168   1HB   CYS  21          1HB       CYS  21  -3.184  -5.528  -2.714
  169   2HB   CYS  21          2HB       CYS  21  -1.898  -6.727  -2.780
  170    H    GLY  22           H        GLY  22  -2.600  -9.259  -0.798
  171   1HA   GLY  22          1HA       GLY  22  -3.362 -11.627  -2.077
  172   2HA   GLY  22          2HA       GLY  22  -1.862 -11.089  -2.817
  173    H    ILE  23           H        ILE  23  -1.195 -13.243  -1.921
  174    HA   ILE  23           HA       ILE  23  -0.957 -13.729   0.828
  175    HB   ILE  23           HB       ILE  23   0.862 -14.716  -1.373
  176   1HG1  ILE  23          1HG1      ILE  23  -1.490 -15.232  -1.840
  177   2HG1  ILE  23          2HG1      ILE  23  -0.599 -16.693  -1.429
  178   1HG2  ILE  23          1HG2      ILE  23   1.297 -16.599   0.150
  179   2HG2  ILE  23          2HG2      ILE  23   0.337 -15.795   1.393
  180   3HG2  ILE  23          3HG2      ILE  23   1.832 -15.057   0.818
  181   1HD1  ILE  23          1HD1      ILE  23  -2.781 -16.704  -0.393
  182   2HD1  ILE  23          2HD1      ILE  23  -2.444 -15.160   0.390
  183   3HD1  ILE  23          3HD1      ILE  23  -1.525 -16.597   0.841
  184    H    ARG  24           H        ARG  24   1.526 -12.552  -1.450
  185    HA   ARG  24           HA       ARG  24   2.990 -11.455   0.855
  186   1HB   ARG  24          1HB       ARG  24   5.004 -11.557  -0.476
  187   2HB   ARG  24          2HB       ARG  24   4.224 -13.131  -0.496
  188   1HG   ARG  24          1HG       ARG  24   3.768 -11.157  -2.701
  189   2HG   ARG  24          2HG       ARG  24   5.190 -12.201  -2.684
  190   1HD   ARG  24          1HD       ARG  24   2.308 -13.086  -2.660
  191   2HD   ARG  24          2HD       ARG  24   3.431 -13.206  -4.012
  192    HE   ARG  24           HE       ARG  24   3.983 -14.621  -1.497
  193   1HH1  ARG  24          1HH1      ARG  24   3.360 -14.655  -4.927
  194   2HH1  ARG  24          2HH1      ARG  24   3.763 -16.329  -5.113
  195   1HH2  ARG  24          1HH2      ARG  24   4.515 -16.826  -1.735
  196   2HH2  ARG  24          2HH2      ARG  24   4.421 -17.562  -3.300
  197    H    PHE  25           H        PHE  25   0.724 -10.351  -0.883
  198    HA   PHE  25           HA       PHE  25   2.045  -7.932  -1.886
  199   1HB   PHE  25          1HB       PHE  25  -0.746  -9.001  -2.345
  200   2HB   PHE  25          2HB       PHE  25  -0.140  -7.484  -3.000
  201    HD1  PHE  25           1HD      PHE  25   1.344  -7.445  -4.867
  202    HD2  PHE  25           2HD      PHE  25   0.132 -11.143  -3.147
  203    HE1  PHE  25           1HE      PHE  25   2.238  -8.642  -6.821
  204    HE2  PHE  25           2HE      PHE  25   1.024 -12.347  -5.097
  205    HZ   PHE  25           HZ       PHE  25   2.080 -11.097  -6.938
  206    H    LEU  26           H        LEU  26   1.357  -5.872  -1.272
  207    HA   LEU  26           HA       LEU  26  -0.326  -5.762   1.143
  208   1HB   LEU  26          1HB       LEU  26   2.071  -4.010   0.590
  209   2HB   LEU  26          2HB       LEU  26   1.081  -4.004   2.034
  210    HG   LEU  26           HG       LEU  26   1.863  -6.474   2.273
  211   1HD1  LEU  26          1HD1      LEU  26   2.944  -6.697   0.126
  212   2HD1  LEU  26          2HD1      LEU  26   4.148  -6.820   1.408
  213   3HD1  LEU  26          3HD1      LEU  26   3.997  -5.327   0.480
  214   1HD2  LEU  26          1HD2      LEU  26   2.411  -4.703   3.840
  215   2HD2  LEU  26          2HD2      LEU  26   3.701  -4.139   2.778
  216   3HD2  LEU  26          3HD2      LEU  26   3.820  -5.722   3.547
  217    H    TYR  27           H        TYR  27  -0.984  -3.362   1.556
  218    HA   TYR  27           HA       TYR  27  -1.945  -2.315  -1.019
  219   1HB   TYR  27          1HB       TYR  27  -3.391  -3.099   1.216
  220   2HB   TYR  27          2HB       TYR  27  -3.356  -1.343   1.336
  221    HD1  TYR  27           1HD      TYR  27  -5.353  -0.455   0.578
  222    HD2  TYR  27           2HD      TYR  27  -3.618  -3.712  -1.538
  223    HE1  TYR  27           1HE      TYR  27  -7.143  -0.308  -1.102
  224    HE2  TYR  27           2HE      TYR  27  -5.402  -3.573  -3.226
  225    HH   TYR  27           HH       TYR  27  -7.516  -0.935  -3.456
  226    H    CYS  28           H        CYS  28  -1.238  -0.398  -1.651
  227    HA   CYS  28           HA       CYS  28  -0.027   1.371   0.373
  228   1HB   CYS  28          1HB       CYS  28   1.641   0.397  -1.149
  229   2HB   CYS  28          2HB       CYS  28   0.767   1.056  -2.527
  230    H    CYS  29           H        CYS  29  -1.025   3.221   0.662
  231    HA   CYS  29           HA       CYS  29  -2.548   4.397  -1.569
  232   1HB   CYS  29          1HB       CYS  29  -3.634   3.427   0.774
  233   2HB   CYS  29          2HB       CYS  29  -3.445   5.141   1.125
  234    HA   PRO  30           HA       PRO  30  -0.294   8.193  -1.369
  235   1HB   PRO  30          1HB       PRO  30  -2.901   9.431  -0.555
  236   2HB   PRO  30          2HB       PRO  30  -1.719   9.990  -1.745
  237   1HG   PRO  30          1HG       PRO  30  -3.935   8.738  -2.530
  238   2HG   PRO  30          2HG       PRO  30  -2.384   8.437  -3.336
  239   1HD   PRO  30          1HD       PRO  30  -3.917   6.708  -1.481
  240   2HD   PRO  30          2HD       PRO  30  -2.786   6.257  -2.771
  241    H    ARG  31           H        ARG  31   0.660   9.607   0.122
  242    HA   ARG  31           HA       ARG  31   1.117   8.784   2.662
  243   1HB   ARG  31          1HB       ARG  31   2.349  10.594   1.501
  244   2HB   ARG  31          2HB       ARG  31   1.002  11.680   1.809
  245   1HG   ARG  31          1HG       ARG  31   2.727  12.099   3.415
  246   2HG   ARG  31          2HG       ARG  31   1.351  11.361   4.237
  247   1HD   ARG  31          1HD       ARG  31   2.465   9.214   4.251
  248   2HD   ARG  31          2HD       ARG  31   3.803   9.869   3.308
  249    HE   ARG  31           HE       ARG  31   3.523  11.373   5.661
  250   1HH1  ARG  31          1HH1      ARG  31   4.496   8.189   4.624
  251   2HH1  ARG  31          2HH1      ARG  31   5.583   7.951   5.951
  252   1HH2  ARG  31          1HH2      ARG  31   4.955  11.068   7.405
  253   2HH2  ARG  31          2HH2      ARG  31   5.847   9.589   7.529
  254    H    ARG  32           H        ARG  32  -1.457  11.015   1.672
  255    HA   ARG  32           HA       ARG  32  -2.424  11.630   4.229
  256   1HB   ARG  32          1HB       ARG  32  -3.988  11.449   1.649
  257   2HB   ARG  32          2HB       ARG  32  -4.491  12.301   3.101
  258   1HG   ARG  32          1HG       ARG  32  -2.017  12.977   1.527
  259   2HG   ARG  32          2HG       ARG  32  -3.582  13.760   1.304
  260   1HD   ARG  32          1HD       ARG  32  -3.550  14.569   3.576
  261   2HD   ARG  32          2HD       ARG  32  -2.066  13.678   3.910
  262    HE   ARG  32           HE       ARG  32  -1.071  15.182   2.119
  263   1HH1  ARG  32          1HH1      ARG  32  -3.715  16.158   4.170
  264   2HH1  ARG  32          2HH1      ARG  32  -3.317  17.842   4.096
  265   1HH2  ARG  32          1HH2      ARG  32  -0.542  17.393   2.018
  266   2HH2  ARG  32          2HH2      ARG  32  -1.514  18.544   2.872
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1 -11.442  10.853  -3.584
    2   2H    GLY   1          2H        GLY   1 -13.065  10.378  -3.533
    3   3H    GLY   1          3H        GLY   1 -11.858   9.231  -3.828
    4   1HA   GLY   1          1HA       GLY   1 -12.242  10.745  -1.303
    5   2HA   GLY   1          2HA       GLY   1 -12.661   9.058  -1.557
    6    H    LEU   2           H        LEU   2 -10.883   7.577  -2.099
    7    HA   LEU   2           HA       LEU   2  -8.345   8.463  -0.895
    8   1HB   LEU   2          1HB       LEU   2  -8.078   6.029  -0.236
    9   2HB   LEU   2          2HB       LEU   2  -9.271   6.958   0.649
   10    HG   LEU   2           HG       LEU   2 -10.944   5.946  -1.097
   11   1HD1  LEU   2          1HD1      LEU   2  -9.316   4.897  -2.538
   12   2HD1  LEU   2          2HD1      LEU   2 -10.301   3.660  -1.759
   13   3HD1  LEU   2          3HD1      LEU   2  -8.666   3.975  -1.183
   14   1HD2  LEU   2          1HD2      LEU   2  -9.752   4.323   1.149
   15   2HD2  LEU   2          2HD2      LEU   2 -11.330   4.056   0.410
   16   3HD2  LEU   2          3HD2      LEU   2 -11.016   5.544   1.304
   17    H    LEU   3           H        LEU   3  -6.409   7.501  -1.711
   18    HA   LEU   3           HA       LEU   3  -6.700   6.348  -4.405
   19   1HB   LEU   3          1HB       LEU   3  -4.674   8.378  -3.467
   20   2HB   LEU   3          2HB       LEU   3  -4.596   7.546  -5.008
   21    HG   LEU   3           HG       LEU   3  -6.966   8.555  -5.391
   22   1HD1  LEU   3          1HD1      LEU   3  -7.285   9.388  -3.122
   23   2HD1  LEU   3          2HD1      LEU   3  -7.300  10.707  -4.290
   24   3HD1  LEU   3          3HD1      LEU   3  -5.872  10.428  -3.297
   25   1HD2  LEU   3          1HD2      LEU   3  -4.472  10.249  -5.441
   26   2HD2  LEU   3          2HD2      LEU   3  -5.951  10.569  -6.348
   27   3HD2  LEU   3          3HD2      LEU   3  -4.997   9.126  -6.696
   28    H    CYS   4           H        CYS   4  -6.580   4.371  -2.985
   29    HA   CYS   4           HA       CYS   4  -3.843   3.716  -2.171
   30   1HB   CYS   4          1HB       CYS   4  -6.346   2.076  -1.754
   31   2HB   CYS   4          2HB       CYS   4  -4.788   1.865  -0.961
   32    H    TYR   5           H        TYR   5  -2.692   2.021  -3.067
   33    HA   TYR   5           HA       TYR   5  -3.927   0.643  -5.354
   34   1HB   TYR   5          1HB       TYR   5  -1.189   1.925  -5.296
   35   2HB   TYR   5          2HB       TYR   5  -1.773   0.875  -6.583
   36    HD1  TYR   5           1HD      TYR   5  -3.722   1.616  -7.972
   37    HD2  TYR   5           2HD      TYR   5  -1.777   4.218  -5.227
   38    HE1  TYR   5           1HE      TYR   5  -4.728   3.551  -9.106
   39    HE2  TYR   5           2HE      TYR   5  -2.779   6.163  -6.351
   40    HH   TYR   5           HH       TYR   5  -5.304   5.881  -8.608
   41    H    CYS   6           H        CYS   6  -2.896  -1.355  -5.962
   42    HA   CYS   6           HA       CYS   6  -1.993  -2.841  -3.651
   43   1HB   CYS   6          1HB       CYS   6  -3.555  -4.012  -4.976
   44   2HB   CYS   6          2HB       CYS   6  -2.732  -3.590  -6.473
   45    H    ARG   7           H        ARG   7   0.070  -3.015  -3.114
   46    HA   ARG   7           HA       ARG   7   2.106  -2.768  -5.229
   47   1HB   ARG   7          1HB       ARG   7   2.216  -2.027  -2.308
   48   2HB   ARG   7          2HB       ARG   7   3.638  -2.097  -3.333
   49   1HG   ARG   7          1HG       ARG   7   1.257  -0.373  -3.947
   50   2HG   ARG   7          2HG       ARG   7   2.635   0.178  -2.990
   51   1HD   ARG   7          1HD       ARG   7   4.096  -0.504  -4.920
   52   2HD   ARG   7          2HD       ARG   7   2.621  -0.733  -5.856
   53    HE   ARG   7           HE       ARG   7   2.485   1.820  -4.816
   54   1HH1  ARG   7          1HH1      ARG   7   4.604   0.006  -6.872
   55   2HH1  ARG   7          2HH1      ARG   7   5.097   1.378  -7.813
   56   1HH2  ARG   7          1HH2      ARG   7   3.113   3.652  -6.033
   57   2HH2  ARG   7          2HH2      ARG   7   4.246   3.462  -7.330
   58    H    LYS   8           H        LYS   8   4.151  -3.952  -4.789
   59    HA   LYS   8           HA       LYS   8   3.659  -6.483  -3.363
   60   1HB   LYS   8          1HB       LYS   8   3.482  -6.864  -5.769
   61   2HB   LYS   8          2HB       LYS   8   5.052  -6.115  -6.022
   62   1HG   LYS   8          1HG       LYS   8   6.089  -7.912  -4.686
   63   2HG   LYS   8          2HG       LYS   8   4.506  -8.681  -4.542
   64   1HD   LYS   8          1HD       LYS   8   4.387  -8.922  -6.964
   65   2HD   LYS   8          2HD       LYS   8   5.942  -8.106  -7.135
   66   1HE   LYS   8          1HE       LYS   8   5.492 -10.692  -5.651
   67   2HE   LYS   8          2HE       LYS   8   6.122 -10.565  -7.293
   68   1HZ   LYS   8          1HZ       LYS   8   7.397  -9.464  -4.847
   69   2HZ   LYS   8          2HZ       LYS   8   7.996  -9.292  -6.420
   70   3HZ   LYS   8          3HZ       LYS   8   7.911 -10.826  -5.711
   71    H    GLY   9           H        GLY   9   5.176  -7.044  -1.929
   72   1HA   GLY   9          1HA       GLY   9   7.306  -7.266  -1.007
   73   2HA   GLY   9          2HA       GLY   9   7.936  -6.224  -2.274
   74    H    HIS  10           H        HIS  10   7.024  -3.883  -2.089
   75    HA   HIS  10           HA       HIS  10   6.411  -2.904   0.506
   76   1HB   HIS  10          1HB       HIS  10   8.488  -1.700   0.958
   77   2HB   HIS  10          2HB       HIS  10   8.787  -3.435   0.871
   78    HD1  HIS  10           1HD      HIS  10   8.858  -0.531  -1.578
   79    HD2  HIS  10           2HD      HIS  10  10.977  -3.969  -0.613
   80    HE1  HIS  10           1HE      HIS  10  10.775  -0.604  -3.177
   81    HE2  HIS  10           2HE      HIS  10  12.004  -2.736  -2.643
   82    H    CYS  11           H        CYS  11   5.895  -0.698   0.516
   83    HA   CYS  11           HA       CYS  11   5.742   0.494  -2.171
   84   1HB   CYS  11          1HB       CYS  11   3.562   0.043  -1.130
   85   2HB   CYS  11          2HB       CYS  11   4.013   1.033   0.253
   86    H    LYS  12           H        LYS  12   5.702   2.938  -2.151
   87    HA   LYS  12           HA       LYS  12   8.127   3.894  -1.076
   88   1HB   LYS  12          1HB       LYS  12   5.940   5.758  -1.906
   89   2HB   LYS  12          2HB       LYS  12   7.673   5.888  -2.171
   90   1HG   LYS  12          1HG       LYS  12   5.996   3.792  -3.504
   91   2HG   LYS  12          2HG       LYS  12   6.226   5.408  -4.182
   92   1HD   LYS  12          1HD       LYS  12   8.652   5.052  -4.194
   93   2HD   LYS  12          2HD       LYS  12   8.417   3.437  -3.521
   94   1HE   LYS  12          1HE       LYS  12   8.772   3.353  -5.937
   95   2HE   LYS  12          2HE       LYS  12   7.162   2.780  -5.504
   96   1HZ   LYS  12          1HZ       LYS  12   7.811   5.490  -6.533
   97   2HZ   LYS  12          2HZ       LYS  12   6.267   4.936  -6.123
   98   3HZ   LYS  12          3HZ       LYS  12   7.095   4.241  -7.424
   99    H    ARG  13           H        ARG  13   5.059   5.558  -0.511
  100    HA   ARG  13           HA       ARG  13   5.654   5.623   2.367
  101   1HB   ARG  13          1HB       ARG  13   4.417   8.032   1.137
  102   2HB   ARG  13          2HB       ARG  13   5.492   7.907   2.521
  103   1HG   ARG  13          1HG       ARG  13   6.895   8.912   1.046
  104   2HG   ARG  13          2HG       ARG  13   7.235   7.225   0.653
  105   1HD   ARG  13          1HD       ARG  13   5.712   7.318  -1.228
  106   2HD   ARG  13          2HD       ARG  13   5.234   8.960  -0.796
  107    HE   ARG  13           HE       ARG  13   8.053   8.537  -1.361
  108   1HH1  ARG  13          1HH1      ARG  13   4.939   9.597  -2.514
  109   2HH1  ARG  13          2HH1      ARG  13   5.596  10.508  -3.832
  110   1HH2  ARG  13          1HH2      ARG  13   8.923   9.735  -3.095
  111   2HH2  ARG  13          2HH2      ARG  13   7.857  10.588  -4.162
  112    H    GLY  14           H        GLY  14   4.041   4.314   3.089
  113   1HA   GLY  14          1HA       GLY  14   1.666   4.814   3.880
  114   2HA   GLY  14          2HA       GLY  14   1.302   4.904   2.164
  115    H    GLU  15           H        GLU  15   3.469   2.594   3.723
  116    HA   GLU  15           HA       GLU  15   2.185   0.393   2.436
  117   1HB   GLU  15          1HB       GLU  15   4.188   0.308   4.697
  118   2HB   GLU  15          2HB       GLU  15   3.816  -0.989   3.568
  119   1HG   GLU  15          1HG       GLU  15   4.659   0.528   1.739
  120   2HG   GLU  15          2HG       GLU  15   5.233   1.596   3.020
  121    H    ARG  16           H        ARG  16   0.273  -0.380   3.060
  122    HA   ARG  16           HA       ARG  16  -0.217  -0.750   5.934
  123   1HB   ARG  16          1HB       ARG  16  -2.274   0.254   3.961
  124   2HB   ARG  16          2HB       ARG  16  -2.531  -0.037   5.675
  125   1HG   ARG  16          1HG       ARG  16  -0.978   1.745   6.231
  126   2HG   ARG  16          2HG       ARG  16  -0.659   2.018   4.517
  127   1HD   ARG  16          1HD       ARG  16  -2.236   3.660   5.317
  128   2HD   ARG  16          2HD       ARG  16  -3.040   2.568   4.191
  129    HE   ARG  16           HE       ARG  16  -3.462   1.540   6.726
  130   1HH1  ARG  16          1HH1      ARG  16  -4.223   4.456   4.978
  131   2HH1  ARG  16          2HH1      ARG  16  -5.682   4.758   5.861
  132   1HH2  ARG  16          1HH2      ARG  16  -5.381   1.929   7.894
  133   2HH2  ARG  16          2HH2      ARG  16  -6.340   3.322   7.518
  134    H    VAL  17           H        VAL  17  -2.255  -2.170   6.237
  135    HA   VAL  17           HA       VAL  17  -2.420  -4.222   4.156
  136    HB   VAL  17           HB       VAL  17  -0.791  -4.916   5.924
  137   1HG1  VAL  17          1HG1      VAL  17  -3.224  -5.012   7.697
  138   2HG1  VAL  17          2HG1      VAL  17  -1.884  -3.876   7.842
  139   3HG1  VAL  17          3HG1      VAL  17  -1.612  -5.598   8.107
  140   1HG2  VAL  17          1HG2      VAL  17  -1.640  -7.177   6.146
  141   2HG2  VAL  17          2HG2      VAL  17  -1.982  -6.553   4.532
  142   3HG2  VAL  17          3HG2      VAL  17  -3.266  -6.630   5.739
  143    H    ARG  18           H        ARG  18  -4.243  -2.184   4.643
  144    HA   ARG  18           HA       ARG  18  -6.401  -3.064   6.299
  145   1HB   ARG  18          1HB       ARG  18  -6.128  -0.700   5.818
  146   2HB   ARG  18          2HB       ARG  18  -6.289  -0.998   4.093
  147   1HG   ARG  18          1HG       ARG  18  -8.333  -0.069   4.964
  148   2HG   ARG  18          2HG       ARG  18  -8.605  -1.735   4.452
  149   1HD   ARG  18          1HD       ARG  18  -9.704  -1.287   6.580
  150   2HD   ARG  18          2HD       ARG  18  -8.421  -2.481   6.772
  151    HE   ARG  18           HE       ARG  18  -7.479   0.148   7.309
  152   1HH1  ARG  18          1HH1      ARG  18  -9.329  -2.474   8.668
  153   2HH1  ARG  18          2HH1      ARG  18  -8.986  -2.037  10.309
  154   1HH2  ARG  18          1HH2      ARG  18  -7.022   0.731   9.467
  155   2HH2  ARG  18          2HH2      ARG  18  -7.677  -0.213  10.763
  156    H    GLY  19           H        GLY  19  -5.550  -3.365   2.917
  157   1HA   GLY  19          1HA       GLY  19  -7.709  -5.342   2.609
  158   2HA   GLY  19          2HA       GLY  19  -7.501  -4.078   1.402
  159    H    THR  20           H        THR  20  -5.953  -6.851   2.924
  160    HA   THR  20           HA       THR  20  -3.599  -7.072   1.595
  161    HB   THR  20           HB       THR  20  -4.156  -8.713   3.235
  162    HG1  THR  20           1HG      THR  20  -4.111 -10.638   1.430
  163   1HG2  THR  20          1HG2      THR  20  -6.568  -8.817   2.887
  164   2HG2  THR  20          2HG2      THR  20  -5.869 -10.436   2.857
  165   3HG2  THR  20          3HG2      THR  20  -6.324  -9.644   1.348
  166    H    CYS  21           H        CYS  21  -2.953  -7.216  -0.427
  167    HA   CYS  21           HA       CYS  21  -4.911  -7.564  -2.544
  168   1HB   CYS  21          1HB       CYS  21  -3.233  -5.742  -2.649
  169   2HB   CYS  21          2HB       CYS  21  -1.953  -6.947  -2.709
  170    H    GLY  22           H        GLY  22  -2.701  -9.459  -0.817
  171   1HA   GLY  22          1HA       GLY  22  -3.344 -11.847  -2.095
  172   2HA   GLY  22          2HA       GLY  22  -1.856 -11.266  -2.825
  173    H    ILE  23           H        ILE  23  -0.737 -13.087  -2.015
  174    HA   ILE  23           HA       ILE  23  -0.555 -13.431   0.864
  175    HB   ILE  23           HB       ILE  23   0.790 -14.906  -1.405
  176   1HG1  ILE  23          1HG1      ILE  23  -0.681 -16.789  -0.424
  177   2HG1  ILE  23          2HG1      ILE  23  -1.564 -15.495   0.380
  178   1HG2  ILE  23          1HG2      ILE  23   2.252 -14.944   0.513
  179   2HG2  ILE  23          2HG2      ILE  23   1.500 -16.528   0.318
  180   3HG2  ILE  23          3HG2      ILE  23   0.918 -15.423   1.562
  181   1HD1  ILE  23          1HD1      ILE  23  -2.590 -16.245  -1.737
  182   2HD1  ILE  23          2HD1      ILE  23  -1.156 -15.679  -2.594
  183   3HD1  ILE  23          3HD1      ILE  23  -2.175 -14.531  -1.726
  184    H    ARG  24           H        ARG  24   1.730 -12.803  -1.803
  185    HA   ARG  24           HA       ARG  24   3.662 -11.770   0.138
  186   1HB   ARG  24          1HB       ARG  24   5.276 -11.861  -1.700
  187   2HB   ARG  24          2HB       ARG  24   4.481 -13.414  -1.483
  188   1HG   ARG  24          1HG       ARG  24   2.913 -12.702  -3.349
  189   2HG   ARG  24          2HG       ARG  24   4.055 -11.391  -3.659
  190   1HD   ARG  24          1HD       ARG  24   4.500 -13.305  -5.106
  191   2HD   ARG  24          2HD       ARG  24   5.841 -13.023  -3.995
  192    HE   ARG  24           HE       ARG  24   4.287 -14.859  -2.716
  193   1HH1  ARG  24          1HH1      ARG  24   5.804 -14.702  -5.851
  194   2HH1  ARG  24          2HH1      ARG  24   6.026 -16.416  -5.969
  195   1HH2  ARG  24          1HH2      ARG  24   4.575 -17.113  -2.866
  196   2HH2  ARG  24          2HH2      ARG  24   5.325 -17.786  -4.275
  197    H    PHE  25           H        PHE  25   1.121 -10.502  -1.162
  198    HA   PHE  25           HA       PHE  25   2.391  -8.015  -2.083
  199   1HB   PHE  25          1HB       PHE  25  -0.453  -8.969  -2.478
  200   2HB   PHE  25          2HB       PHE  25   0.226  -7.476  -3.112
  201    HD1  PHE  25           1HD      PHE  25   0.405 -11.162  -3.321
  202    HD2  PHE  25           2HD      PHE  25   1.450  -7.447  -5.120
  203    HE1  PHE  25           1HE      PHE  25   1.107 -12.350  -5.360
  204    HE2  PHE  25           2HE      PHE  25   2.154  -8.628  -7.160
  205    HZ   PHE  25           HZ       PHE  25   1.982 -11.081  -7.281
  206    H    LEU  26           H        LEU  26   0.573  -6.151  -1.676
  207    HA   LEU  26           HA       LEU  26  -0.695  -6.242   0.878
  208   1HB   LEU  26          1HB       LEU  26   0.662  -4.583   2.013
  209   2HB   LEU  26          2HB       LEU  26   1.629  -5.989   1.620
  210    HG   LEU  26           HG       LEU  26   1.640  -3.537  -0.119
  211   1HD1  LEU  26          1HD1      LEU  26   3.416  -4.109   2.248
  212   2HD1  LEU  26          2HD1      LEU  26   2.224  -2.814   2.127
  213   3HD1  LEU  26          3HD1      LEU  26   3.643  -2.806   1.081
  214   1HD2  LEU  26          1HD2      LEU  26   3.854  -4.403  -0.752
  215   2HD2  LEU  26          2HD2      LEU  26   2.566  -5.554  -1.103
  216   3HD2  LEU  26          3HD2      LEU  26   3.600  -5.790   0.305
  217    H    TYR  27           H        TYR  27  -1.210  -3.769   1.519
  218    HA   TYR  27           HA       TYR  27  -2.068  -2.504  -0.995
  219   1HB   TYR  27          1HB       TYR  27  -3.716  -3.570   0.926
  220   2HB   TYR  27          2HB       TYR  27  -3.685  -1.862   1.354
  221    HD1  TYR  27           1HD      TYR  27  -3.989  -4.004  -1.685
  222    HD2  TYR  27           2HD      TYR  27  -5.264  -0.495   0.357
  223    HE1  TYR  27           1HE      TYR  27  -5.590  -3.537  -3.496
  224    HE2  TYR  27           2HE      TYR  27  -6.867  -0.020  -1.445
  225    HH   TYR  27           HH       TYR  27  -7.696  -2.289  -3.820
  226    H    CYS  28           H        CYS  28  -1.243  -0.607  -1.360
  227    HA   CYS  28           HA       CYS  28  -0.215   0.979   0.895
  228   1HB   CYS  28          1HB       CYS  28   1.471   0.298  -0.757
  229   2HB   CYS  28          2HB       CYS  28   0.535   1.063  -2.035
  230    H    CYS  29           H        CYS  29  -0.287   3.389   0.511
  231    HA   CYS  29           HA       CYS  29  -2.313   4.406  -1.248
  232   1HB   CYS  29          1HB       CYS  29  -3.413   3.371   0.932
  233   2HB   CYS  29          2HB       CYS  29  -2.932   4.915   1.628
  234    HA   PRO  30           HA       PRO  30   1.066   7.401  -0.365
  235   1HB   PRO  30          1HB       PRO  30   0.607   8.805  -2.690
  236   2HB   PRO  30          2HB       PRO  30   1.706   7.428  -2.551
  237   1HG   PRO  30          1HG       PRO  30  -1.107   7.517  -3.558
  238   2HG   PRO  30          2HG       PRO  30   0.283   6.615  -4.189
  239   1HD   PRO  30          1HD       PRO  30  -1.617   5.420  -2.718
  240   2HD   PRO  30          2HD       PRO  30   0.092   4.952  -2.586
  241    H    ARG  31           H        ARG  31   0.742   9.105   0.889
  242    HA   ARG  31           HA       ARG  31  -1.846  10.464   0.822
  243   1HB   ARG  31          1HB       ARG  31   0.406  10.655   2.830
  244   2HB   ARG  31          2HB       ARG  31  -1.175  11.408   2.988
  245   1HG   ARG  31          1HG       ARG  31  -2.240   9.253   3.123
  246   2HG   ARG  31          2HG       ARG  31  -0.704   8.439   2.814
  247   1HD   ARG  31          1HD       ARG  31  -1.271   8.406   5.192
  248   2HD   ARG  31          2HD       ARG  31   0.202   9.327   4.891
  249    HE   ARG  31           HE       ARG  31  -2.224  10.896   5.002
  250   1HH1  ARG  31          1HH1      ARG  31   0.487   9.597   6.765
  251   2HH1  ARG  31          2HH1      ARG  31   0.381  10.763   8.041
  252   1HH2  ARG  31          1HH2      ARG  31  -2.369  12.437   6.675
  253   2HH2  ARG  31          2HH2      ARG  31  -1.245  12.377   7.991
  254    H    ARG  32           H        ARG  32  -1.683  11.855  -0.917
  255    HA   ARG  32           HA       ARG  32   0.592  13.658  -1.096
  256   1HB   ARG  32          1HB       ARG  32  -1.870  13.416  -2.835
  257   2HB   ARG  32          2HB       ARG  32  -0.488  14.452  -3.168
  258   1HG   ARG  32          1HG       ARG  32   0.946  12.465  -3.321
  259   2HG   ARG  32          2HG       ARG  32  -0.465  11.444  -3.035
  260   1HD   ARG  32          1HD       ARG  32  -1.513  12.347  -5.063
  261   2HD   ARG  32          2HD       ARG  32  -0.083  13.338  -5.352
  262    HE   ARG  32           HE       ARG  32   0.676  10.636  -5.124
  263   1HH1  ARG  32          1HH1      ARG  32  -0.995  12.799  -7.286
  264   2HH1  ARG  32          2HH1      ARG  32  -0.594  11.895  -8.708
  265   1HH2  ARG  32          1HH2      ARG  32   1.207   9.440  -6.992
  266   2HH2  ARG  32          2HH2      ARG  32   0.657   9.986  -8.540
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1  -9.449  10.059   1.039
    2   2H    GLY   1          2H        GLY   1 -10.286  10.057  -0.431
    3   3H    GLY   1          3H        GLY   1  -9.422  11.430   0.048
    4   1HA   GLY   1          1HA       GLY   1  -8.220  10.215  -1.659
    5   2HA   GLY   1          2HA       GLY   1  -7.337  10.255  -0.140
    6    H    LEU   2           H        LEU   2  -9.841   8.251  -1.698
    7    HA   LEU   2           HA       LEU   2  -8.590   5.875  -0.535
    8   1HB   LEU   2          1HB       LEU   2 -11.261   6.314  -1.864
    9   2HB   LEU   2          2HB       LEU   2 -10.667   4.729  -1.409
   10    HG   LEU   2           HG       LEU   2 -10.501   5.627   0.970
   11   1HD1  LEU   2          1HD1      LEU   2 -12.217   7.797  -0.229
   12   2HD1  LEU   2          2HD1      LEU   2 -10.610   7.998   0.470
   13   3HD1  LEU   2          3HD1      LEU   2 -11.966   7.527   1.495
   14   1HD2  LEU   2          1HD2      LEU   2 -12.235   4.074   0.267
   15   2HD2  LEU   2          2HD2      LEU   2 -13.210   5.413  -0.337
   16   3HD2  LEU   2          3HD2      LEU   2 -12.889   5.266   1.390
   17    H    LEU   3           H        LEU   3  -7.035   6.957  -2.461
   18    HA   LEU   3           HA       LEU   3  -7.490   5.248  -4.816
   19   1HB   LEU   3          1HB       LEU   3  -5.895   7.803  -4.610
   20   2HB   LEU   3          2HB       LEU   3  -6.072   6.831  -6.059
   21    HG   LEU   3           HG       LEU   3  -8.345   8.221  -4.638
   22   1HD1  LEU   3          1HD1      LEU   3  -6.883   8.970  -7.166
   23   2HD1  LEU   3          2HD1      LEU   3  -6.801   9.826  -5.627
   24   3HD1  LEU   3          3HD1      LEU   3  -8.318   9.771  -6.525
   25   1HD2  LEU   3          1HD2      LEU   3  -8.218   6.781  -7.284
   26   2HD2  LEU   3          2HD2      LEU   3  -9.604   7.682  -6.673
   27   3HD2  LEU   3          3HD2      LEU   3  -9.058   6.230  -5.835
   28    H    CYS   4           H        CYS   4  -6.487   3.734  -3.037
   29    HA   CYS   4           HA       CYS   4  -3.626   3.923  -2.766
   30   1HB   CYS   4          1HB       CYS   4  -5.260   1.471  -2.155
   31   2HB   CYS   4          2HB       CYS   4  -3.767   2.013  -1.398
   32    H    TYR   5           H        TYR   5  -2.560   1.537  -3.153
   33    HA   TYR   5           HA       TYR   5  -3.287   0.520  -5.781
   34   1HB   TYR   5          1HB       TYR   5  -0.583   1.737  -5.181
   35   2HB   TYR   5          2HB       TYR   5  -0.935   0.755  -6.598
   36    HD1  TYR   5           1HD      TYR   5  -2.694   1.595  -8.232
   37    HD2  TYR   5           2HD      TYR   5  -1.035   4.042  -5.172
   38    HE1  TYR   5           1HE      TYR   5  -3.436   3.602  -9.443
   39    HE2  TYR   5           2HE      TYR   5  -1.773   6.055  -6.375
   40    HH   TYR   5           HH       TYR   5  -3.976   5.966  -8.932
   41    H    CYS   6           H        CYS   6  -1.787  -1.335  -6.391
   42    HA   CYS   6           HA       CYS   6  -1.419  -3.012  -4.019
   43   1HB   CYS   6          1HB       CYS   6  -2.805  -3.968  -5.754
   44   2HB   CYS   6          2HB       CYS   6  -1.566  -3.668  -6.968
   45    H    ARG   7           H        ARG   7   0.531  -3.630  -3.304
   46    HA   ARG   7           HA       ARG   7   2.852  -3.266  -5.073
   47   1HB   ARG   7          1HB       ARG   7   2.606  -2.370  -2.202
   48   2HB   ARG   7          2HB       ARG   7   4.136  -2.472  -3.062
   49   1HG   ARG   7          1HG       ARG   7   1.807  -0.772  -3.923
   50   2HG   ARG   7          2HG       ARG   7   3.180  -0.192  -2.980
   51   1HD   ARG   7          1HD       ARG   7   4.697  -0.763  -4.779
   52   2HD   ARG   7          2HD       ARG   7   3.370  -1.453  -5.713
   53    HE   ARG   7           HE       ARG   7   3.294   1.386  -4.979
   54   1HH1  ARG   7          1HH1      ARG   7   3.504  -1.112  -7.393
   55   2HH1  ARG   7          2HH1      ARG   7   3.236  -0.032  -8.722
   56   1HH2  ARG   7          1HH2      ARG   7   2.940   2.820  -6.720
   57   2HH2  ARG   7          2HH2      ARG   7   2.915   2.205  -8.339
   58    H    LYS   8           H        LYS   8   4.850  -4.335  -4.084
   59    HA   LYS   8           HA       LYS   8   4.128  -6.810  -2.673
   60   1HB   LYS   8          1HB       LYS   8   4.306  -7.403  -5.009
   61   2HB   LYS   8          2HB       LYS   8   5.847  -6.568  -5.146
   62   1HG   LYS   8          1HG       LYS   8   6.820  -8.191  -3.551
   63   2HG   LYS   8          2HG       LYS   8   5.284  -9.059  -3.552
   64   1HD   LYS   8          1HD       LYS   8   6.908  -8.517  -6.033
   65   2HD   LYS   8          2HD       LYS   8   7.029 -10.000  -5.085
   66   1HE   LYS   8          1HE       LYS   8   4.529  -8.956  -6.411
   67   2HE   LYS   8          2HE       LYS   8   5.541 -10.268  -7.014
   68   1HZ   LYS   8          1HZ       LYS   8   4.002 -10.252  -4.474
   69   2HZ   LYS   8          2HZ       LYS   8   5.054 -11.488  -4.952
   70   3HZ   LYS   8          3HZ       LYS   8   3.660 -11.169  -5.856
   71    H    GLY   9           H        GLY   9   5.128  -6.599  -0.766
   72   1HA   GLY   9          1HA       GLY   9   7.157  -6.928   0.460
   73   2HA   GLY   9          2HA       GLY   9   8.021  -6.078  -0.812
   74    H    HIS  10           H        HIS  10   7.889  -3.782  -0.908
   75    HA   HIS  10           HA       HIS  10   6.667  -2.435   1.375
   76   1HB   HIS  10          1HB       HIS  10   9.075  -3.126   1.913
   77   2HB   HIS  10          2HB       HIS  10   9.565  -1.936   0.711
   78    HD1  HIS  10           1HD      HIS  10   8.048  -2.236   4.120
   79    HD2  HIS  10           2HD      HIS  10   9.359   0.727   1.517
   80    HE1  HIS  10           1HE      HIS  10   8.114  -0.122   5.484
   81    HE2  HIS  10           2HE      HIS  10   8.919   1.655   3.892
   82    H    CYS  11           H        CYS  11   5.502  -0.845   0.524
   83    HA   CYS  11           HA       CYS  11   5.937   0.179  -2.094
   84   1HB   CYS  11          1HB       CYS  11   3.706   0.046  -0.984
   85   2HB   CYS  11          2HB       CYS  11   4.207   1.336   0.103
   86    H    LYS  12           H        LYS  12   6.055   2.624  -2.459
   87    HA   LYS  12           HA       LYS  12   8.304   3.637  -0.885
   88   1HB   LYS  12          1HB       LYS  12   8.624   5.204  -2.809
   89   2HB   LYS  12          2HB       LYS  12   8.813   3.503  -3.211
   90   1HG   LYS  12          1HG       LYS  12   6.581   3.457  -4.170
   91   2HG   LYS  12          2HG       LYS  12   6.342   5.147  -3.724
   92   1HD   LYS  12          1HD       LYS  12   8.534   4.186  -5.556
   93   2HD   LYS  12          2HD       LYS  12   6.970   4.777  -6.119
   94   1HE   LYS  12          1HE       LYS  12   7.399   6.927  -5.013
   95   2HE   LYS  12          2HE       LYS  12   8.973   6.333  -4.484
   96   1HZ   LYS  12          1HZ       LYS  12   9.148   7.701  -6.472
   97   2HZ   LYS  12          2HZ       LYS  12   8.119   6.654  -7.311
   98   3HZ   LYS  12          3HZ       LYS  12   9.634   6.112  -6.792
   99    H    ARG  13           H        ARG  13   4.985   4.138  -1.275
  100    HA   ARG  13           HA       ARG  13   5.197   6.545   0.340
  101   1HB   ARG  13          1HB       ARG  13   3.544   6.568  -2.182
  102   2HB   ARG  13          2HB       ARG  13   3.805   7.886  -1.058
  103   1HG   ARG  13          1HG       ARG  13   6.140   8.010  -1.685
  104   2HG   ARG  13          2HG       ARG  13   5.927   6.644  -2.781
  105   1HD   ARG  13          1HD       ARG  13   5.888   8.761  -3.994
  106   2HD   ARG  13          2HD       ARG  13   4.333   7.937  -4.099
  107    HE   ARG  13           HE       ARG  13   4.368   9.779  -1.938
  108   1HH1  ARG  13          1HH1      ARG  13   4.130   9.601  -5.412
  109   2HH1  ARG  13          2HH1      ARG  13   3.220  11.069  -5.552
  110   1HH2  ARG  13          1HH2      ARG  13   3.172  11.708  -2.115
  111   2HH2  ARG  13          2HH2      ARG  13   2.676  12.266  -3.678
  112    H    GLY  14           H        GLY  14   4.259   5.330   2.013
  113   1HA   GLY  14          1HA       GLY  14   2.288   5.129   3.287
  114   2HA   GLY  14          2HA       GLY  14   1.351   5.170   1.806
  115    H    GLU  15           H        GLU  15   3.719   3.109   3.491
  116    HA   GLU  15           HA       GLU  15   2.665   0.727   2.231
  117   1HB   GLU  15          1HB       GLU  15   4.650   0.916   4.504
  118   2HB   GLU  15          2HB       GLU  15   4.370  -0.466   3.458
  119   1HG   GLU  15          1HG       GLU  15   6.354   0.481   2.695
  120   2HG   GLU  15          2HG       GLU  15   5.130   1.010   1.546
  121    H    ARG  16           H        ARG  16   0.788  -0.126   2.939
  122    HA   ARG  16           HA       ARG  16   0.416  -0.417   5.823
  123   1HB   ARG  16          1HB       ARG  16  -1.630   0.827   3.982
  124   2HB   ARG  16          2HB       ARG  16  -1.949   0.331   5.639
  125   1HG   ARG  16          1HG       ARG  16  -0.285   1.932   6.439
  126   2HG   ARG  16          2HG       ARG  16   0.030   2.432   4.776
  127   1HD   ARG  16          1HD       ARG  16  -2.301   3.156   4.561
  128   2HD   ARG  16          2HD       ARG  16  -2.605   2.664   6.227
  129    HE   ARG  16           HE       ARG  16  -0.450   4.502   6.095
  130   1HH1  ARG  16          1HH1      ARG  16  -3.923   4.310   5.905
  131   2HH1  ARG  16          2HH1      ARG  16  -4.172   5.934   6.455
  132   1HH2  ARG  16          1HH2      ARG  16  -0.765   6.641   6.816
  133   2HH2  ARG  16          2HH2      ARG  16  -2.375   7.260   6.971
  134    H    VAL  17           H        VAL  17  -1.464  -1.817   6.349
  135    HA   VAL  17           HA       VAL  17  -1.990  -3.821   4.270
  136    HB   VAL  17           HB       VAL  17  -0.219  -4.627   5.813
  137   1HG1  VAL  17          1HG1      VAL  17  -2.363  -4.494   7.926
  138   2HG1  VAL  17          2HG1      VAL  17  -0.944  -3.452   7.829
  139   3HG1  VAL  17          3HG1      VAL  17  -0.750  -5.181   8.116
  140   1HG2  VAL  17          1HG2      VAL  17  -2.813  -6.146   6.054
  141   2HG2  VAL  17          2HG2      VAL  17  -1.192  -6.809   6.242
  142   3HG2  VAL  17          3HG2      VAL  17  -1.719  -6.202   4.673
  143    H    ARG  18           H        ARG  18  -3.701  -1.772   4.800
  144    HA   ARG  18           HA       ARG  18  -5.627  -2.232   6.804
  145   1HB   ARG  18          1HB       ARG  18  -5.277  -0.145   5.323
  146   2HB   ARG  18          2HB       ARG  18  -6.251  -0.989   4.129
  147   1HG   ARG  18          1HG       ARG  18  -7.262  -0.605   6.916
  148   2HG   ARG  18          2HG       ARG  18  -7.383   0.690   5.725
  149   1HD   ARG  18          1HD       ARG  18  -8.647  -0.763   4.244
  150   2HD   ARG  18          2HD       ARG  18  -8.474  -2.101   5.379
  151    HE   ARG  18           HE       ARG  18  -9.664  -0.129   6.836
  152   1HH1  ARG  18          1HH1      ARG  18 -10.406  -1.744   3.839
  153   2HH1  ARG  18          2HH1      ARG  18 -12.120  -1.576   4.023
  154   1HH2  ARG  18          1HH2      ARG  18 -11.916   0.095   7.089
  155   2HH2  ARG  18          2HH2      ARG  18 -12.979  -0.531   5.874
  156    H    GLY  19           H        GLY  19  -5.615  -3.021   3.354
  157   1HA   GLY  19          1HA       GLY  19  -7.600  -5.134   3.905
  158   2HA   GLY  19          2HA       GLY  19  -7.487  -4.268   2.377
  159    H    THR  20           H        THR  20  -6.473  -5.301   0.798
  160    HA   THR  20           HA       THR  20  -3.974  -6.511   1.008
  161    HB   THR  20           HB       THR  20  -4.995  -8.262   2.312
  162    HG1  THR  20           1HG      THR  20  -4.552 -10.048   0.854
  163   1HG2  THR  20          1HG2      THR  20  -7.317  -7.968   1.582
  164   2HG2  THR  20          2HG2      THR  20  -6.812  -9.652   1.441
  165   3HG2  THR  20          3HG2      THR  20  -6.906  -8.636   0.003
  166    H    CYS  21           H        CYS  21  -3.327  -7.638  -0.976
  167    HA   CYS  21           HA       CYS  21  -5.060  -6.939  -3.252
  168   1HB   CYS  21          1HB       CYS  21  -3.216  -5.438  -3.322
  169   2HB   CYS  21          2HB       CYS  21  -2.066  -6.723  -2.971
  170    H    GLY  22           H        GLY  22  -2.726  -9.202  -1.910
  171   1HA   GLY  22          1HA       GLY  22  -3.911 -11.358  -3.424
  172   2HA   GLY  22          2HA       GLY  22  -2.259 -10.984  -3.892
  173    H    ILE  23           H        ILE  23  -1.249 -12.794  -3.174
  174    HA   ILE  23           HA       ILE  23  -1.775 -13.958  -0.617
  175    HB   ILE  23           HB       ILE  23   0.602 -14.422  -2.422
  176   1HG1  ILE  23          1HG1      ILE  23  -2.014 -15.940  -2.280
  177   2HG1  ILE  23          2HG1      ILE  23  -1.591 -14.794  -3.548
  178   1HG2  ILE  23          1HG2      ILE  23  -0.592 -16.129  -0.240
  179   2HG2  ILE  23          2HG2      ILE  23   0.912 -15.215  -0.130
  180   3HG2  ILE  23          3HG2      ILE  23   0.780 -16.561  -1.261
  181   1HD1  ILE  23          1HD1      ILE  23   0.275 -16.216  -4.211
  182   2HD1  ILE  23          2HD1      ILE  23  -1.259 -17.082  -4.278
  183   3HD1  ILE  23          3HD1      ILE  23  -0.147 -17.362  -2.940
  184    H    ARG  24           H        ARG  24   1.256 -12.562  -1.894
  185    HA   ARG  24           HA       ARG  24   1.991 -11.832   0.850
  186   1HB   ARG  24          1HB       ARG  24   4.275 -11.592  -0.020
  187   2HB   ARG  24          2HB       ARG  24   3.622 -13.190  -0.355
  188   1HG   ARG  24          1HG       ARG  24   3.119 -12.481  -2.654
  189   2HG   ARG  24          2HG       ARG  24   3.836 -10.907  -2.308
  190   1HD   ARG  24          1HD       ARG  24   5.253 -13.568  -2.181
  191   2HD   ARG  24          2HD       ARG  24   5.413 -12.375  -3.469
  192    HE   ARG  24           HE       ARG  24   6.145 -10.923  -1.381
  193   1HH1  ARG  24          1HH1      ARG  24   7.005 -14.191  -2.230
  194   2HH1  ARG  24          2HH1      ARG  24   8.562 -14.115  -1.474
  195   1HH2  ARG  24          1HH2      ARG  24   8.193 -10.815  -0.382
  196   2HH2  ARG  24          2HH2      ARG  24   9.236 -12.197  -0.422
  197    H    PHE  25           H        PHE  25   0.650 -10.483  -1.877
  198    HA   PHE  25           HA       PHE  25   1.904  -7.967  -2.019
  199   1HB   PHE  25          1HB       PHE  25  -0.923  -8.773  -2.726
  200   2HB   PHE  25          2HB       PHE  25  -0.183  -7.238  -3.163
  201    HD1  PHE  25           1HD      PHE  25  -0.270 -10.831  -3.817
  202    HD2  PHE  25           2HD      PHE  25   1.500  -7.112  -4.890
  203    HE1  PHE  25           1HE      PHE  25   0.620 -11.852  -5.872
  204    HE2  PHE  25           2HE      PHE  25   2.392  -8.125  -6.946
  205    HZ   PHE  25           HZ       PHE  25   1.952 -10.498  -7.440
  206    H    LEU  26           H        LEU  26   0.832  -5.884  -1.469
  207    HA   LEU  26           HA       LEU  26  -0.813  -5.985   0.945
  208   1HB   LEU  26          1HB       LEU  26   0.597  -4.338   2.079
  209   2HB   LEU  26          2HB       LEU  26   1.461  -5.832   1.781
  210    HG   LEU  26           HG       LEU  26   1.746  -3.500  -0.083
  211   1HD1  LEU  26          1HD1      LEU  26   2.213  -2.654   2.159
  212   2HD1  LEU  26          2HD1      LEU  26   3.690  -2.775   1.202
  213   3HD1  LEU  26          3HD1      LEU  26   3.336  -3.988   2.432
  214   1HD2  LEU  26          1HD2      LEU  26   3.938  -4.536  -0.488
  215   2HD2  LEU  26          2HD2      LEU  26   2.610  -5.640  -0.839
  216   3HD2  LEU  26          3HD2      LEU  26   3.531  -5.817   0.653
  217    H    TYR  27           H        TYR  27  -1.294  -3.548   1.597
  218    HA   TYR  27           HA       TYR  27  -2.169  -2.283  -0.909
  219   1HB   TYR  27          1HB       TYR  27  -3.694  -3.123   1.221
  220   2HB   TYR  27          2HB       TYR  27  -3.525  -1.395   1.525
  221    HD1  TYR  27           1HD      TYR  27  -5.386  -0.231   0.809
  222    HD2  TYR  27           2HD      TYR  27  -3.961  -3.479  -1.540
  223    HE1  TYR  27           1HE      TYR  27  -7.124   0.230  -0.869
  224    HE2  TYR  27           2HE      TYR  27  -5.691  -3.024  -3.229
  225    HH   TYR  27           HH       TYR  27  -7.546  -0.169  -3.242
  226    H    CYS  28           H        CYS  28  -1.190  -0.509  -1.470
  227    HA   CYS  28           HA       CYS  28   0.101   1.139   0.598
  228   1HB   CYS  28          1HB       CYS  28   1.711   0.308  -0.984
  229   2HB   CYS  28          2HB       CYS  28   0.710   0.806  -2.343
  230    H    CYS  29           H        CYS  29  -1.103   2.839   1.142
  231    HA   CYS  29           HA       CYS  29  -2.807   4.067  -0.910
  232   1HB   CYS  29          1HB       CYS  29  -2.888   4.304   2.104
  233   2HB   CYS  29          2HB       CYS  29  -3.966   5.149   0.999
  234    HA   PRO  30           HA       PRO  30  -0.232   7.656  -1.053
  235   1HB   PRO  30          1HB       PRO  30  -1.965   9.487  -1.989
  236   2HB   PRO  30          2HB       PRO  30  -1.399   8.141  -2.987
  237   1HG   PRO  30          1HG       PRO  30  -3.973   8.430  -1.483
  238   2HG   PRO  30          2HG       PRO  30  -3.701   7.823  -3.127
  239   1HD   PRO  30          1HD       PRO  30  -4.060   6.194  -0.973
  240   2HD   PRO  30          2HD       PRO  30  -3.095   5.736  -2.390
  241    H    ARG  31           H        ARG  31   0.071   9.788  -0.163
  242    HA   ARG  31           HA       ARG  31  -0.799   9.994   2.533
  243   1HB   ARG  31          1HB       ARG  31   1.400  10.777   1.870
  244   2HB   ARG  31          2HB       ARG  31   0.685  11.948   0.770
  245   1HG   ARG  31          1HG       ARG  31  -0.317  13.113   2.687
  246   2HG   ARG  31          2HG       ARG  31   0.454  11.956   3.773
  247   1HD   ARG  31          1HD       ARG  31   1.720  14.053   3.603
  248   2HD   ARG  31          2HD       ARG  31   2.646  12.669   3.025
  249    HE   ARG  31           HE       ARG  31   1.782  13.488   0.730
  250   1HH1  ARG  31          1HH1      ARG  31   2.676  15.519   3.419
  251   2HH1  ARG  31          2HH1      ARG  31   3.150  16.852   2.419
  252   1HH2  ARG  31          1HH2      ARG  31   2.401  15.235  -0.591
  253   2HH2  ARG  31          2HH2      ARG  31   2.990  16.692   0.139
  254    H    ARG  32           H        ARG  32  -1.977  11.260  -0.470
  255    HA   ARG  32           HA       ARG  32  -3.754  13.108   0.955
  256   1HB   ARG  32          1HB       ARG  32  -4.255  14.036  -1.303
  257   2HB   ARG  32          2HB       ARG  32  -2.568  14.180  -0.832
  258   1HG   ARG  32          1HG       ARG  32  -2.008  12.261  -2.235
  259   2HG   ARG  32          2HG       ARG  32  -3.704  12.108  -2.701
  260   1HD   ARG  32          1HD       ARG  32  -3.591  14.431  -3.603
  261   2HD   ARG  32          2HD       ARG  32  -1.859  14.423  -3.273
  262    HE   ARG  32           HE       ARG  32  -2.733  12.221  -4.899
  263   1HH1  ARG  32          1HH1      ARG  32  -1.680  15.544  -4.904
  264   2HH1  ARG  32          2HH1      ARG  32  -1.135  15.502  -6.547
  265   1HH2  ARG  32          1HH2      ARG  32  -2.019  12.159  -7.062
  266   2HH2  ARG  32          2HH2      ARG  32  -1.329  13.578  -7.774
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1  -7.197  12.607  -5.262
    2   2H    GLY   1          2H        GLY   1  -6.084  12.781  -6.524
    3   3H    GLY   1          3H        GLY   1  -5.537  12.585  -4.936
    4   1HA   GLY   1          1HA       GLY   1  -7.045  10.551  -6.484
    5   2HA   GLY   1          2HA       GLY   1  -5.305  10.539  -6.240
    6    H    LEU   2           H        LEU   2  -8.374  10.580  -4.447
    7    HA   LEU   2           HA       LEU   2  -7.068   9.380  -2.138
    8   1HB   LEU   2          1HB       LEU   2  -8.712  11.195  -1.825
    9   2HB   LEU   2          2HB       LEU   2  -9.950  10.185  -2.546
   10    HG   LEU   2           HG       LEU   2  -9.643   8.558  -0.682
   11   1HD1  LEU   2          1HD1      LEU   2  -7.909  10.736   0.476
   12   2HD1  LEU   2          2HD1      LEU   2  -7.360   9.151  -0.065
   13   3HD1  LEU   2          3HD1      LEU   2  -8.445   9.284   1.319
   14   1HD2  LEU   2          1HD2      LEU   2 -10.815   9.910   0.990
   15   2HD2  LEU   2          2HD2      LEU   2 -11.443  10.201  -0.631
   16   3HD2  LEU   2          3HD2      LEU   2 -10.364  11.376   0.121
   17    H    LEU   3           H        LEU   3  -6.535   7.367  -3.139
   18    HA   LEU   3           HA       LEU   3  -8.543   5.369  -2.747
   19   1HB   LEU   3          1HB       LEU   3  -9.153   6.160  -4.997
   20   2HB   LEU   3          2HB       LEU   3  -7.525   5.822  -5.555
   21    HG   LEU   3           HG       LEU   3  -7.910   3.408  -5.028
   22   1HD1  LEU   3          1HD1      LEU   3 -10.760   4.308  -4.634
   23   2HD1  LEU   3          2HD1      LEU   3  -9.686   3.692  -3.377
   24   3HD1  LEU   3          3HD1      LEU   3 -10.197   2.638  -4.696
   25   1HD2  LEU   3          1HD2      LEU   3  -8.126   4.201  -7.297
   26   2HD2  LEU   3          2HD2      LEU   3  -9.783   4.723  -6.991
   27   3HD2  LEU   3          3HD2      LEU   3  -9.382   3.006  -6.970
   28    H    CYS   4           H        CYS   4  -7.569   3.590  -2.026
   29    HA   CYS   4           HA       CYS   4  -4.707   3.433  -1.977
   30   1HB   CYS   4          1HB       CYS   4  -6.725   1.350  -1.115
   31   2HB   CYS   4          2HB       CYS   4  -5.028   1.424  -0.652
   32    H    TYR   5           H        TYR   5  -3.464   1.594  -2.742
   33    HA   TYR   5           HA       TYR   5  -4.671   0.191  -5.024
   34   1HB   TYR   5          1HB       TYR   5  -1.965   1.544  -5.026
   35   2HB   TYR   5          2HB       TYR   5  -2.602   0.540  -6.324
   36    HD1  TYR   5           1HD      TYR   5  -4.762   1.324  -7.469
   37    HD2  TYR   5           2HD      TYR   5  -2.397   3.836  -4.979
   38    HE1  TYR   5           1HE      TYR   5  -5.799   3.305  -8.492
   39    HE2  TYR   5           2HE      TYR   5  -3.429   5.824  -5.993
   40    HH   TYR   5           HH       TYR   5  -6.204   5.667  -7.938
   41    H    CYS   6           H        CYS   6  -3.133  -1.562  -5.831
   42    HA   CYS   6           HA       CYS   6  -2.098  -3.030  -3.499
   43   1HB   CYS   6          1HB       CYS   6  -3.797  -4.314  -4.504
   44   2HB   CYS   6          2HB       CYS   6  -3.275  -3.896  -6.133
   45    H    ARG   7           H        ARG   7   0.029  -3.416  -3.348
   46    HA   ARG   7           HA       ARG   7   1.644  -3.251  -5.802
   47   1HB   ARG   7          1HB       ARG   7   2.350  -2.011  -3.136
   48   2HB   ARG   7          2HB       ARG   7   3.420  -2.090  -4.531
   49   1HG   ARG   7          1HG       ARG   7   1.670  -0.800  -5.803
   50   2HG   ARG   7          2HG       ARG   7   0.856  -0.547  -4.259
   51   1HD   ARG   7          1HD       ARG   7   2.841   0.554  -3.379
   52   2HD   ARG   7          2HD       ARG   7   3.690   0.264  -4.895
   53    HE   ARG   7           HE       ARG   7   1.439   2.116  -4.514
   54   1HH1  ARG   7          1HH1      ARG   7   4.107   0.924  -6.412
   55   2HH1  ARG   7          2HH1      ARG   7   4.057   2.237  -7.540
   56   1HH2  ARG   7          1HH2      ARG   7   1.364   3.843  -5.997
   57   2HH2  ARG   7          2HH2      ARG   7   2.500   3.896  -7.303
   58    H    LYS   8           H        LYS   8   3.935  -4.097  -5.368
   59    HA   LYS   8           HA       LYS   8   3.695  -6.569  -3.786
   60   1HB   LYS   8          1HB       LYS   8   3.846  -7.037  -6.155
   61   2HB   LYS   8          2HB       LYS   8   5.268  -6.015  -6.305
   62   1HG   LYS   8          1HG       LYS   8   6.511  -7.561  -4.854
   63   2HG   LYS   8          2HG       LYS   8   5.088  -8.601  -4.773
   64   1HD   LYS   8          1HD       LYS   8   5.175  -8.961  -7.168
   65   2HD   LYS   8          2HD       LYS   8   6.530  -7.840  -7.311
   66   1HE   LYS   8          1HE       LYS   8   7.895  -9.317  -5.915
   67   2HE   LYS   8          2HE       LYS   8   6.541 -10.437  -5.775
   68   1HZ   LYS   8          1HZ       LYS   8   7.907  -9.692  -8.305
   69   2HZ   LYS   8          2HZ       LYS   8   6.619 -10.778  -8.163
   70   3HZ   LYS   8          3HZ       LYS   8   8.115 -11.147  -7.465
   71    H    GLY   9           H        GLY   9   4.768  -6.369  -1.929
   72   1HA   GLY   9          1HA       GLY   9   6.722  -6.357  -0.648
   73   2HA   GLY   9          2HA       GLY   9   7.591  -5.688  -2.019
   74    H    HIS  10           H        HIS  10   8.053  -3.579  -2.026
   75    HA   HIS  10           HA       HIS  10   7.201  -2.006   0.270
   76   1HB   HIS  10          1HB       HIS  10   9.490  -1.997  -1.569
   77   2HB   HIS  10          2HB       HIS  10   8.906  -0.393  -1.137
   78    HD1  HIS  10           1HD      HIS  10  10.020  -3.588   0.597
   79    HD2  HIS  10           2HD      HIS  10   9.847   0.515   1.238
   80    HE1  HIS  10           1HE      HIS  10  11.195  -3.199   2.787
   81    HE2  HIS  10           2HE      HIS  10  11.023  -0.717   3.186
   82    H    CYS  11           H        CYS  11   6.906   0.397  -0.176
   83    HA   CYS  11           HA       CYS  11   5.401   0.907  -2.637
   84   1HB   CYS  11          1HB       CYS  11   4.378   1.380   0.168
   85   2HB   CYS  11          2HB       CYS  11   3.617   2.027  -1.275
   86    H    LYS  12           H        LYS  12   4.542   3.448  -2.153
   87    HA   LYS  12           HA       LYS  12   7.078   4.875  -1.784
   88   1HB   LYS  12          1HB       LYS  12   6.183   6.636  -3.163
   89   2HB   LYS  12          2HB       LYS  12   5.993   5.100  -3.995
   90   1HG   LYS  12          1HG       LYS  12   3.649   5.026  -3.389
   91   2HG   LYS  12          2HG       LYS  12   3.823   6.518  -2.462
   92   1HD   LYS  12          1HD       LYS  12   2.880   7.155  -4.531
   93   2HD   LYS  12          2HD       LYS  12   4.581   7.609  -4.620
   94   1HE   LYS  12          1HE       LYS  12   3.526   5.011  -5.708
   95   2HE   LYS  12          2HE       LYS  12   3.598   6.485  -6.670
   96   1HZ   LYS  12          1HZ       LYS  12   5.549   5.277  -7.129
   97   2HZ   LYS  12          2HZ       LYS  12   5.858   4.973  -5.497
   98   3HZ   LYS  12          3HZ       LYS  12   6.031   6.539  -6.110
   99    H    ARG  13           H        ARG  13   3.824   4.638  -0.620
  100    HA   ARG  13           HA       ARG  13   4.480   6.172   1.699
  101   1HB   ARG  13          1HB       ARG  13   3.129   7.448  -0.570
  102   2HB   ARG  13          2HB       ARG  13   2.303   7.646   0.960
  103   1HG   ARG  13          1HG       ARG  13   4.164   8.736   1.936
  104   2HG   ARG  13          2HG       ARG  13   5.207   8.294   0.584
  105   1HD   ARG  13          1HD       ARG  13   3.770   9.666  -0.903
  106   2HD   ARG  13          2HD       ARG  13   2.865  10.188   0.518
  107    HE   ARG  13           HE       ARG  13   5.617  10.693   0.890
  108   1HH1  ARG  13          1HH1      ARG  13   2.860  11.835  -0.909
  109   2HH1  ARG  13          2HH1      ARG  13   3.460  13.453  -1.051
  110   1HH2  ARG  13          1HH2      ARG  13   6.416  12.822   0.704
  111   2HH2  ARG  13          2HH2      ARG  13   5.481  14.013  -0.137
  112    H    GLY  14           H        GLY  14   3.156   5.702   3.381
  113   1HA   GLY  14          1HA       GLY  14   1.478   4.709   4.585
  114   2HA   GLY  14          2HA       GLY  14   0.449   4.954   3.184
  115    H    GLU  15           H        GLU  15   2.808   2.776   4.643
  116    HA   GLU  15           HA       GLU  15   1.868   0.602   2.909
  117   1HB   GLU  15          1HB       GLU  15   4.327   0.959   4.607
  118   2HB   GLU  15          2HB       GLU  15   3.850  -0.621   4.002
  119   1HG   GLU  15          1HG       GLU  15   4.166   0.012   1.776
  120   2HG   GLU  15          2HG       GLU  15   4.229   1.728   2.181
  121    H    ARG  16           H        ARG  16   0.240  -0.570   3.707
  122    HA   ARG  16           HA       ARG  16   0.385  -1.447   6.492
  123   1HB   ARG  16          1HB       ARG  16  -2.095  -0.230   5.264
  124   2HB   ARG  16          2HB       ARG  16  -2.002  -0.972   6.855
  125   1HG   ARG  16          1HG       ARG  16  -0.270   0.758   7.440
  126   2HG   ARG  16          2HG       ARG  16  -0.681   1.562   5.923
  127   1HD   ARG  16          1HD       ARG  16  -1.923   2.592   7.700
  128   2HD   ARG  16          2HD       ARG  16  -3.039   1.679   6.686
  129    HE   ARG  16           HE       ARG  16  -2.289  -0.018   8.731
  130   1HH1  ARG  16          1HH1      ARG  16  -3.887   3.064   8.430
  131   2HH1  ARG  16          2HH1      ARG  16  -4.845   2.851   9.856
  132   1HH2  ARG  16          1HH2      ARG  16  -3.548  -0.307  10.610
  133   2HH2  ARG  16          2HH2      ARG  16  -4.655   0.935  11.094
  134    H    VAL  17           H        VAL  17  -1.337  -3.150   6.941
  135    HA   VAL  17           HA       VAL  17  -1.764  -4.809   4.548
  136    HB   VAL  17           HB       VAL  17  -1.175  -6.004   7.244
  137   1HG1  VAL  17          1HG1      VAL  17  -0.581  -7.969   5.918
  138   2HG1  VAL  17          2HG1      VAL  17  -0.935  -7.080   4.436
  139   3HG1  VAL  17          3HG1      VAL  17  -2.229  -7.443   5.577
  140   1HG2  VAL  17          1HG2      VAL  17   1.153  -6.310   6.531
  141   2HG2  VAL  17          2HG2      VAL  17   0.736  -4.604   6.689
  142   3HG2  VAL  17          3HG2      VAL  17   0.833  -5.344   5.091
  143    H    ARG  18           H        ARG  18  -3.721  -3.115   5.413
  144    HA   ARG  18           HA       ARG  18  -5.525  -4.348   7.254
  145   1HB   ARG  18          1HB       ARG  18  -5.617  -1.945   6.883
  146   2HB   ARG  18          2HB       ARG  18  -5.963  -2.190   5.177
  147   1HG   ARG  18          1HG       ARG  18  -8.084  -3.324   5.848
  148   2HG   ARG  18          2HG       ARG  18  -7.745  -2.842   7.512
  149   1HD   ARG  18          1HD       ARG  18  -7.815  -0.514   6.905
  150   2HD   ARG  18          2HD       ARG  18  -7.968  -0.924   5.196
  151    HE   ARG  18           HE       ARG  18 -10.053  -1.796   7.063
  152   1HH1  ARG  18          1HH1      ARG  18  -9.038   0.221   4.406
  153   2HH1  ARG  18          2HH1      ARG  18 -10.650   0.661   3.955
  154   1HH2  ARG  18          1HH2      ARG  18 -12.180  -1.221   6.474
  155   2HH2  ARG  18          2HH2      ARG  18 -12.437  -0.158   5.131
  156    H    GLY  19           H        GLY  19  -5.728  -3.823   3.740
  157   1HA   GLY  19          1HA       GLY  19  -7.405  -6.248   3.560
  158   2HA   GLY  19          2HA       GLY  19  -7.517  -4.881   2.457
  159    H    THR  20           H        THR  20  -5.343  -7.441   3.565
  160    HA   THR  20           HA       THR  20  -3.239  -7.262   1.880
  161    HB   THR  20           HB       THR  20  -3.283  -9.030   3.482
  162    HG1  THR  20           1HG      THR  20  -2.018  -9.604   1.746
  163   1HG2  THR  20          1HG2      THR  20  -5.671  -9.495   3.513
  164   2HG2  THR  20          2HG2      THR  20  -4.766 -10.987   3.252
  165   3HG2  THR  20          3HG2      THR  20  -5.576 -10.198   1.899
  166    H    CYS  21           H        CYS  21  -2.858  -7.321  -0.212
  167    HA   CYS  21           HA       CYS  21  -5.035  -7.708  -2.064
  168   1HB   CYS  21          1HB       CYS  21  -3.540  -5.873  -2.481
  169   2HB   CYS  21          2HB       CYS  21  -2.138  -6.937  -2.431
  170    H    GLY  22           H        GLY  22  -2.322  -9.515  -0.894
  171   1HA   GLY  22          1HA       GLY  22  -3.228 -11.914  -2.097
  172   2HA   GLY  22          2HA       GLY  22  -1.860 -11.278  -2.995
  173    H    ILE  23           H        ILE  23  -0.877 -13.341  -2.337
  174    HA   ILE  23           HA       ILE  23  -0.306 -13.955   0.355
  175    HB   ILE  23           HB       ILE  23   1.334 -14.726  -2.061
  176   1HG1  ILE  23          1HG1      ILE  23  -1.013 -15.310  -2.420
  177   2HG1  ILE  23          2HG1      ILE  23  -0.057 -16.760  -2.140
  178   1HG2  ILE  23          1HG2      ILE  23   1.020 -16.051   0.630
  179   2HG2  ILE  23          2HG2      ILE  23   2.428 -15.144   0.082
  180   3HG2  ILE  23          3HG2      ILE  23   1.988 -16.654  -0.717
  181   1HD1  ILE  23          1HD1      ILE  23  -1.843 -15.389  -0.141
  182   2HD1  ILE  23          2HD1      ILE  23  -0.850 -16.810   0.182
  183   3HD1  ILE  23          3HD1      ILE  23  -2.169 -16.904  -0.984
  184    H    ARG  24           H        ARG  24   1.685 -12.396  -2.152
  185    HA   ARG  24           HA       ARG  24   3.501 -11.458  -0.036
  186   1HB   ARG  24          1HB       ARG  24   5.166 -11.153  -1.798
  187   2HB   ARG  24          2HB       ARG  24   4.562 -12.805  -1.789
  188   1HG   ARG  24          1HG       ARG  24   3.046 -12.206  -3.658
  189   2HG   ARG  24          2HG       ARG  24   3.804 -10.613  -3.707
  190   1HD   ARG  24          1HD       ARG  24   4.819 -12.006  -5.383
  191   2HD   ARG  24          2HD       ARG  24   5.989 -11.720  -4.094
  192    HE   ARG  24           HE       ARG  24   4.504 -14.140  -3.731
  193   1HH1  ARG  24          1HH1      ARG  24   7.233 -12.706  -5.357
  194   2HH1  ARG  24          2HH1      ARG  24   8.083 -14.206  -5.526
  195   1HH2  ARG  24          1HH2      ARG  24   5.618 -16.117  -3.949
  196   2HH2  ARG  24          2HH2      ARG  24   7.166 -16.144  -4.725
  197    H    PHE  25           H        PHE  25   1.003 -10.442  -2.000
  198    HA   PHE  25           HA       PHE  25   1.950  -7.758  -2.480
  199   1HB   PHE  25          1HB       PHE  25  -0.818  -8.937  -2.804
  200   2HB   PHE  25          2HB       PHE  25  -0.299  -7.362  -3.391
  201    HD1  PHE  25           1HD      PHE  25  -0.058 -10.981  -3.872
  202    HD2  PHE  25           2HD      PHE  25   1.088  -7.157  -5.344
  203    HE1  PHE  25           1HE      PHE  25   0.673 -12.017  -5.980
  204    HE2  PHE  25           2HE      PHE  25   1.820  -8.185  -7.457
  205    HZ   PHE  25           HZ       PHE  25   1.613 -10.619  -7.776
  206    H    LEU  26           H        LEU  26   1.012  -5.856  -1.588
  207    HA   LEU  26           HA       LEU  26  -0.437  -6.234   0.936
  208   1HB   LEU  26          1HB       LEU  26   0.958  -4.795   2.147
  209   2HB   LEU  26          2HB       LEU  26   2.045  -5.862   1.285
  210    HG   LEU  26           HG       LEU  26   1.367  -3.062   0.383
  211   1HD1  LEU  26          1HD1      LEU  26   3.783  -4.065   1.882
  212   2HD1  LEU  26          2HD1      LEU  26   2.528  -3.004   2.523
  213   3HD1  LEU  26          3HD1      LEU  26   3.578  -2.443   1.222
  214   1HD2  LEU  26          1HD2      LEU  26   3.538  -3.440  -0.907
  215   2HD2  LEU  26          2HD2      LEU  26   2.093  -4.264  -1.490
  216   3HD2  LEU  26          3HD2      LEU  26   3.302  -5.154  -0.563
  217    H    TYR  27           H        TYR  27  -1.055  -3.899   1.792
  218    HA   TYR  27           HA       TYR  27  -2.283  -2.532  -0.508
  219   1HB   TYR  27          1HB       TYR  27  -3.525  -3.739   1.647
  220   2HB   TYR  27          2HB       TYR  27  -3.527  -2.035   2.085
  221    HD1  TYR  27           1HD      TYR  27  -4.110  -4.059  -1.001
  222    HD2  TYR  27           2HD      TYR  27  -5.447  -0.900   1.511
  223    HE1  TYR  27           1HE      TYR  27  -6.030  -3.695  -2.493
  224    HE2  TYR  27           2HE      TYR  27  -7.373  -0.526   0.029
  225    HH   TYR  27           HH       TYR  27  -7.983  -0.944  -2.339
  226    H    CYS  28           H        CYS  28  -1.724  -0.503  -0.866
  227    HA   CYS  28           HA       CYS  28  -0.681   1.103   1.361
  228   1HB   CYS  28          1HB       CYS  28   0.561   0.857  -1.385
  229   2HB   CYS  28          2HB       CYS  28   1.040   2.042  -0.175
  230    H    CYS  29           H        CYS  29  -1.341   3.186   1.412
  231    HA   CYS  29           HA       CYS  29  -2.973   4.124  -0.856
  232   1HB   CYS  29          1HB       CYS  29  -3.848   3.622   1.716
  233   2HB   CYS  29          2HB       CYS  29  -3.569   5.360   1.728
  234    HA   PRO  30           HA       PRO  30  -0.197   7.576  -1.049
  235   1HB   PRO  30          1HB       PRO  30  -1.771   9.388  -2.305
  236   2HB   PRO  30          2HB       PRO  30  -1.070   7.994  -3.135
  237   1HG   PRO  30          1HG       PRO  30  -3.833   8.355  -2.039
  238   2HG   PRO  30          2HG       PRO  30  -3.327   7.652  -3.587
  239   1HD   PRO  30          1HD       PRO  30  -4.016   6.135  -1.452
  240   2HD   PRO  30          2HD       PRO  30  -2.794   5.622  -2.633
  241    H    ARG  31           H        ARG  31   0.384   9.086   0.377
  242    HA   ARG  31           HA       ARG  31  -1.721  10.496   1.880
  243   1HB   ARG  31          1HB       ARG  31   0.912   9.488   2.972
  244   2HB   ARG  31          2HB       ARG  31  -0.274  10.429   3.867
  245   1HG   ARG  31          1HG       ARG  31  -0.756   7.691   2.710
  246   2HG   ARG  31          2HG       ARG  31  -0.358   8.031   4.394
  247   1HD   ARG  31          1HD       ARG  31  -2.398   9.425   4.550
  248   2HD   ARG  31          2HD       ARG  31  -2.806   8.964   2.897
  249    HE   ARG  31           HE       ARG  31  -2.408   6.649   4.453
  250   1HH1  ARG  31          1HH1      ARG  31  -4.672   9.266   4.024
  251   2HH1  ARG  31          2HH1      ARG  31  -6.033   8.345   4.571
  252   1HH2  ARG  31          1HH2      ARG  31  -4.194   5.435   5.174
  253   2HH2  ARG  31          2HH2      ARG  31  -5.761   6.169   5.227
  254    H    ARG  32           H        ARG  32  -1.620  12.402   0.760
  255    HA   ARG  32           HA       ARG  32   0.830  13.956   1.133
  256   1HB   ARG  32          1HB       ARG  32   0.473  14.897  -1.214
  257   2HB   ARG  32          2HB       ARG  32   1.143  13.277  -1.098
  258   1HG   ARG  32          1HG       ARG  32  -1.052  12.324  -1.565
  259   2HG   ARG  32          2HG       ARG  32  -1.738  13.947  -1.665
  260   1HD   ARG  32          1HD       ARG  32  -1.271  13.017  -3.884
  261   2HD   ARG  32          2HD       ARG  32  -0.312  14.461  -3.561
  262    HE   ARG  32           HE       ARG  32   0.992  11.944  -2.972
  263   1HH1  ARG  32          1HH1      ARG  32   0.444  14.471  -5.310
  264   2HH1  ARG  32          2HH1      ARG  32   1.870  14.110  -6.225
  265   1HH2  ARG  32          1HH2      ARG  32   2.870  11.461  -4.171
  266   2HH2  ARG  32          2HH2      ARG  32   3.247  12.400  -5.578