*HEADER    TRANSPORT PROTEIN                       02-DEC-04   1Y5C              
*TITLE     THE STRUCTURE OF A LACTOFERRICINB DERIVATIVE BOUND TO                 
*TITLE    2 MICELLES (LFCINB4-14)                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LACTOTRANSFERRIN;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 4-14;                                             
*COMPND   5 SYNONYM: LACTOFERRIN, LACTOFERRICIN B,  LFCIN B;                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS DERIVED FROM RESIDUES 4-14           
*SOURCE   4 OF LACTOFERRICINB (BOVINE).                                          
*KEYWDS    MICELLE-BOUND, PEPTIDE                                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    L.T.NGUYEN, D.J.SCHIBLI, H.J.VOGEL                                    
*REVDAT   1   22-MAR-05 1Y5C    0                                                

 ASSI {    1}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HZ2 ))
      3.100     1.200     1.200 peak     1 spectrum    1 weight  0.10000E+01 volume  0.17636E-02 ppm1      9.769 ppm2      7.369 CV     1
 ASSI {    1}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HD1 ))
      2.500     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.41801E-02 ppm1      9.769 ppm2      7.262 CV     1
 ASSI {    2}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 3    and name HD1 ))
      5.600     3.900     0.400 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10600E-03 ppm1      9.767 ppm2      7.146 CV     1
 ASSI {    3}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HH2 ))
      5.700     4.100     0.300 peak     3 spectrum    1 weight  0.10000E+01 volume  0.15050E-03 ppm1      9.768 ppm2      7.030 CV     1
 ASSI {    4}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HB2 ))
      5.200     3.400     0.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.14991E-03 ppm1      9.766 ppm2      3.242 CV     1
 ASSI {    5}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 1    and name HD2 ))
      4.000     2.000     2.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.44914E-03 ppm1      9.768 ppm2      3.122 CV     1
 ASSI {    6}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 1    and name HB1 ))
      5.000     3.200     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.63289E-04 ppm1      9.769 ppm2      1.978 CV     1
 ASSI {    7}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 1    and name HG2 ))
      4.400     2.400     1.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.75304E-04 ppm1      9.770 ppm2      1.678 CV     1
 ASSI {    8}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HE3 ))
      6.000     5.000     0.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.28542E-04 ppm1      9.768 ppm2      7.476 CV     1
 ASSI {    9}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     6.000     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.66610E-04 ppm1      9.770 ppm2      7.653 CV     1
 ASSI {   10}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 6    and name HN  ))
      5.800     4.200     0.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.62891E-04 ppm1      9.771 ppm2      7.750 CV     1
 ASSI {   11}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     5.900     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.58800E-04 ppm1      9.693 ppm2      7.581 CV     1
 ASSI {   12}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 5    and name HE3 ))
      6.000     5.200     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.48070E-04 ppm1      9.691 ppm2      7.469 CV     1
 ASSI {   13}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 3    and name HZ2 ))
      3.000     1.100     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.18227E-02 ppm1      9.691 ppm2      7.388 CV     1
 ASSI {   14}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 5    and name HD1 ))
      4.800     2.900     1.200 peak    14 spectrum    1 weight  0.10000E+01 volume  0.89237E-04 ppm1      9.688 ppm2      7.262 CV     1
 ASSI {   15}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 3    and name HD1 ))
      2.500     0.800     0.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.41604E-02 ppm1      9.692 ppm2      7.148 CV     1
 ASSI {   16}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 3    and name HH2 ))
      5.700     4.000     0.300 peak    16 spectrum    1 weight  0.10000E+01 volume  0.14277E-03 ppm1      9.690 ppm2      7.035 CV     1
 ASSI {   17}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 2    and name HE  ))
      5.400     3.600     0.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.54388E-04 ppm1      9.689 ppm2      6.855 CV     1
 ASSI {   18}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 5    and name HA  ))
      5.900     4.400     0.100 peak    18 spectrum    1 weight  0.10000E+01 volume  0.97636E-04 ppm1      9.691 ppm2      4.445 CV     1
 ASSI {   19}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 5    and name HB2 ))
      5.800     4.300     0.200 peak    19 spectrum    1 weight  0.10000E+01 volume  0.11352E-03 ppm1      9.690 ppm2      3.237 CV     1
 ASSI {   20}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 3    and name HB1 ))
      4.500     2.600     1.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.27811E-03 ppm1      9.691 ppm2      3.126 CV     1
 ASSI {   21}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 9    and name HD2 ))
      5.700     4.000     0.300 peak    21 spectrum    1 weight  0.10000E+01 volume  0.62896E-04 ppm1      9.689 ppm2      1.672 CV     1
 ASSI {   22}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      2.900     1.100     1.100 peak    22 spectrum    1 weight  0.10000E+01 volume  0.17865E-02 ppm1      8.471 ppm2      7.582 CV     1
 ASSI {   23}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HD1 ))
      6.000     5.600     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.40532E-04 ppm1      8.470 ppm2      7.144 CV     1
 ASSI {   24}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.900     1.100     1.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.22026E-02 ppm1      8.473 ppm2      4.113 CV     1
 ASSI {   25}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.600     0.800     0.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.36035E-02 ppm1      8.470 ppm2      4.059 CV     1
 ASSI {   26}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HD2 ))
      5.000     3.100     1.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.20505E-03 ppm1      8.470 ppm2      3.134 CV     1
 ASSI {   27}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HD1 ))
      5.900     4.400     0.100 peak    27 spectrum    1 weight  0.10000E+01 volume  0.63000E-04 ppm1      8.474 ppm2      2.909 CV     1
 ASSI {   28}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      3.400     1.400     1.400 peak    28 spectrum    1 weight  0.10000E+01 volume  0.12836E-02 ppm1      8.470 ppm2      1.970 CV     1
 ASSI {   29}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.800     1.800     1.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.60139E-03 ppm1      8.469 ppm2      1.793 CV     1
 ASSI {   30}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HG2 ))
      4.000     2.000     2.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.54631E-03 ppm1      8.472 ppm2      1.663 CV     1
 ASSI {   31}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.100     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.20560E-02 ppm1      8.471 ppm2      1.585 CV     1
 ASSI {   32}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.100     1.200     1.200 peak    32 spectrum    1 weight  0.10000E+01 volume  0.12286E-02 ppm1      8.471 ppm2      1.523 CV     1
 ASSI {   33}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG1 ))
      3.800     1.800     1.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.83563E-03 ppm1      8.469 ppm2      1.348 CV     1
 ASSI {   34}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG2 ))
      3.700     1.700     1.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.58598E-03 ppm1      8.470 ppm2      1.220 CV     1
 ASSI {   35}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      7.916 ppm2      7.654 CV     1
 ASSI {   36}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.500     1.600     1.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.11762E-02 ppm1      7.918 ppm2      7.581 CV     1
 ASSI {   37}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HE3 ))
      4.200     2.200     1.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.18017E-03 ppm1      7.914 ppm2      7.482 CV     1
 ASSI {   38}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.900     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.22154E-02 ppm1      7.907 ppm2      7.745 CV     1
 ASSI {   39}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HD1 ))
      5.700     4.100     0.300 peak    39 spectrum    1 weight  0.10000E+01 volume  0.91575E-04 ppm1      7.917 ppm2      7.261 CV     1
 ASSI {   40}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HD1 ))
      4.000     2.000     2.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.27734E-03 ppm1      7.916 ppm2      7.148 CV     1
 ASSI {   41}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.900     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.56374E-02 ppm1      7.915 ppm2      4.733 CV     1
 ASSI {   42}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.600     1.600     1.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.59602E-03 ppm1      7.909 ppm2      4.442 CV     1
 ASSI {   43}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.23775E-02 ppm1      7.914 ppm2      4.332 CV     1
 ASSI {   44}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak    44 spectrum    1 weight  0.10000E+01 volume  0.57662E-02 ppm1      7.923 ppm2      4.256 CV     1
 ASSI {   45}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.46394E-02 ppm1      7.900 ppm2      4.211 CV     1
 ASSI {   46}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     3.000     3.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.72050E-03 ppm1      7.912 ppm2      4.137 CV     1
 ASSI {   47}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.300     2.400     1.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.40591E-03 ppm1      7.910 ppm2      3.245 CV     1
 ASSI {   48}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      3.900     3.900     2.100 peak    48 spectrum    1 weight  0.10000E+01 volume  0.29535E-02 ppm1      7.915 ppm2      3.115 CV     1
 ASSI {   49}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HE1 ))
      4.700     2.700     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.24804E-03 ppm1      7.916 ppm2      2.992 CV     1
 ASSI {   50}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      4.700     2.800     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.25184E-03 ppm1      7.904 ppm2      2.592 CV     1
 ASSI {   51}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      4.500     2.500     1.500 peak    51 spectrum    1 weight  0.10000E+01 volume  0.28562E-03 ppm1      7.910 ppm2      2.517 CV     1
 ASSI {   52}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG1 ))
      2.900     1.100     1.100 peak    52 spectrum    1 weight  0.10000E+01 volume  0.16490E-02 ppm1      7.915 ppm2      2.207 CV     1
 ASSI {   53}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
      2.500     0.800     0.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.37492E-02 ppm1      7.912 ppm2      2.051 CV     1
 ASSI {   54}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.500     0.800     0.800 peak    54 spectrum    1 weight  0.10000E+01 volume  0.62032E-02 ppm1      7.913 ppm2      1.839 CV     1
 ASSI {   55}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.800     0.900     0.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.29916E-02 ppm1      7.923 ppm2      1.750 CV     1
 ASSI {   56}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HD1 ))
      3.700     1.700     1.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.14924E-02 ppm1      7.917 ppm2      1.677 CV     1
 ASSI {   58}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      1.900     0.400     0.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.20102E-01 ppm1      7.929 ppm2      7.898 CV     1
 ASSI {   59}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.33457E-02 ppm1      7.833 ppm2      4.363 CV     1
 ASSI {   60}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.45217E-02 ppm1      7.828 ppm2      4.253 CV     1
 ASSI {   61}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA1 ))
      2.800     1.000     1.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.30307E-02 ppm1      7.840 ppm2      3.836 CV     1
 ASSI {   63}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      4.000     2.000     2.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.30363E-03 ppm1      7.825 ppm2      2.070 CV     1
 ASSI {   64}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.600     3.600     2.400 peak    64 spectrum    1 weight  0.10000E+01 volume  0.23955E-03 ppm1      7.823 ppm2      2.020 CV     1
 ASSI {   65}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.700     2.700     3.300 peak    65 spectrum    1 weight  0.10000E+01 volume  0.13364E-02 ppm1      7.832 ppm2      1.838 CV     1
 ASSI {   66}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.47010E-02 ppm1      7.831 ppm2      1.697 CV     1
 ASSI {   67}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.400     1.400     1.400 peak    67 spectrum    1 weight  0.10000E+01 volume  0.12344E-02 ppm1      7.832 ppm2      1.623 CV     1
 ASSI {   68}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.500     1.500     1.500 peak    68 spectrum    1 weight  0.10000E+01 volume  0.10942E-02 ppm1      7.832 ppm2      1.429 CV     1
 ASSI {   69}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.500     2.600     1.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.32222E-03 ppm1      7.835 ppm2      0.877 CV     1
 ASSI {   70}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak    70 spectrum    1 weight  0.10000E+01 volume  0.18274E-02 ppm1      7.746 ppm2      7.654 CV     1
 ASSI {   71}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HE3 ))
      3.300     1.300     1.300 peak    71 spectrum    1 weight  0.10000E+01 volume  0.64174E-03 ppm1      7.746 ppm2      7.479 CV     1
 ASSI {   72}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HZ2 ))
      5.300     3.500     0.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.21586E-03 ppm1      7.748 ppm2      7.389 CV     1
 ASSI {   73}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HD1 ))
      4.500     2.500     1.500 peak    73 spectrum    1 weight  0.10000E+01 volume  0.43778E-03 ppm1      7.748 ppm2      7.262 CV     1
 ASSI {   74}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HZ3 ))
      5.700     4.000     0.300 peak    74 spectrum    1 weight  0.10000E+01 volume  0.84427E-04 ppm1      7.740 ppm2      6.993 CV     1
 ASSI {   75}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HE  ))
      5.000     3.100     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.15084E-03 ppm1      7.747 ppm2      7.050 CV     1
 ASSI {   76}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.42916E-02 ppm1      7.749 ppm2      4.443 CV     1
 ASSI {   77}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.24927E-02 ppm1      7.743 ppm2      4.247 CV     1
 ASSI {   78}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.55392E-02 ppm1      7.746 ppm2      4.138 CV     1
 ASSI {   79}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.23096E-02 ppm1      7.748 ppm2      3.243 CV     1
 ASSI {   81}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.600     1.600     1.600 peak    81 spectrum    1 weight  0.10000E+01 volume  0.84877E-03 ppm1      7.744 ppm2      2.592 CV     1
 ASSI {   82}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      3.300     1.400     1.400 peak    82 spectrum    1 weight  0.10000E+01 volume  0.95733E-03 ppm1      7.743 ppm2      2.520 CV     1
 ASSI {   83}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.900     1.100     1.100 peak    83 spectrum    1 weight  0.10000E+01 volume  0.20775E-02 ppm1      7.744 ppm2      2.065 CV     1
 ASSI {   84}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.000     1.100     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.22690E-02 ppm1      7.745 ppm2      2.008 CV     1
 ASSI {   85}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.600     0.800     0.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.26151E-02 ppm1      7.746 ppm2      1.768 CV     1
 ASSI {   87}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      2.800     1.000     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.27495E-02 ppm1      7.747 ppm2      1.428 CV     1
 ASSI {   88}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.600     1.700     1.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.19304E-02 ppm1      7.648 ppm2      7.589 CV     1
 ASSI {   89}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HE3 ))
      4.700     2.700     1.300 peak    89 spectrum    1 weight  0.10000E+01 volume  0.51880E-03 ppm1      7.652 ppm2      7.481 CV     1
 ASSI {   90}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HZ2 ))
      5.000     3.100     1.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.23282E-03 ppm1      7.650 ppm2      7.391 CV     1
 ASSI {   91}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HD1 ))
      3.000     3.000     3.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.90788E-03 ppm1      7.653 ppm2      7.261 CV     1
 ASSI {   92}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HD1 ))
      3.900     1.900     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.44926E-03 ppm1      7.655 ppm2      7.146 CV     1
 ASSI {   93}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.100     3.100     2.900 peak    93 spectrum    1 weight  0.10000E+01 volume  0.60036E-03 ppm1      7.653 ppm2      4.731 CV     1
 ASSI {   94}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.21733E-02 ppm1      7.653 ppm2      4.443 CV     1
 ASSI {   95}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.36414E-02 ppm1      7.653 ppm2      4.332 CV     1
 ASSI {   96}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      4.800     2.800     1.200 peak    96 spectrum    1 weight  0.10000E+01 volume  0.15760E-03 ppm1      7.650 ppm2      4.131 CV     1
 ASSI {   97}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.800     1.000     1.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.48947E-02 ppm1      7.652 ppm2      3.243 CV     1
 ASSI {   98}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.800     2.800     3.200 peak    98 spectrum    1 weight  0.10000E+01 volume  0.10943E-02 ppm1      7.652 ppm2      3.118 CV     1
 ASSI {   99}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG1 ))
      4.200     2.200     1.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.30874E-03 ppm1      7.652 ppm2      2.205 CV     1
 ASSI {  100}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.800     1.800     1.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.84970E-03 ppm1      7.652 ppm2      2.045 CV     1
 ASSI {  101}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.200     2.200     1.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.58407E-03 ppm1      7.653 ppm2      1.880 CV     1
 ASSI {  102}
   (( segid "    " and resid 3    and name HE3 ))
   (( segid "    " and resid 3    and name HZ2 ))
      4.400     2.400     1.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.37622E-03 ppm1      7.584 ppm2      7.377 CV     1
 ASSI {  103}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 5    and name HD1 ))
      5.000     3.100     1.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.25073E-03 ppm1      7.587 ppm2      7.269 CV     1
 ASSI {  104}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HD1 ))
      3.300     1.300     1.300 peak   104 spectrum    1 weight  0.10000E+01 volume  0.75738E-03 ppm1      7.582 ppm2      7.146 CV     1
 ASSI {  105}
   (( segid "    " and resid 3    and name HE3 ))
   (( segid "    " and resid 3    and name HZ3 ))
      2.500     0.800     0.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.62612E-02 ppm1      7.582 ppm2      7.026 CV     1
 ASSI {  106}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.700     0.900     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.30534E-02 ppm1      7.579 ppm2      4.733 CV     1
 ASSI {  107}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.100     2.200     1.900 peak   107 spectrum    1 weight  0.10000E+01 volume  0.38442E-03 ppm1      7.580 ppm2      4.329 CV     1
 ASSI {  108}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.000     1.200     1.200 peak   108 spectrum    1 weight  0.10000E+01 volume  0.19499E-02 ppm1      7.584 ppm2      4.117 CV     1
 ASSI {  109}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      5.200     3.400     0.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.15398E-03 ppm1      7.583 ppm2      4.056 CV     1
 ASSI {  110}
   (( segid "    " and resid 3    and name HE3 ))
   (( segid "    " and resid 3    and name HB1 ))
      2.400     0.700     0.700 peak   110 spectrum    1 weight  0.10000E+01 volume  0.80051E-02 ppm1      7.579 ppm2      3.116 CV     1
 ASSI {  112}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      3.600     1.600     1.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.71616E-03 ppm1      7.581 ppm2      1.970 CV     1
 ASSI {  113}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.800     1.800     1.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.45879E-03 ppm1      7.579 ppm2      1.789 CV     1
 ASSI {  114}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HG2 ))
      3.700     1.700     1.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.71383E-03 ppm1      7.579 ppm2      1.669 CV     1
 ASSI {  115}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.600     1.600     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.10899E-02 ppm1      7.580 ppm2      1.586 CV     1
 ASSI {  116}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.200     1.300     1.300 peak   116 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      7.581 ppm2      1.524 CV     1
 ASSI {  117}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG1 ))
      4.100     2.100     1.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.40192E-03 ppm1      7.579 ppm2      1.350 CV     1
 ASSI {  118}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG2 ))
      3.800     1.900     1.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.37202E-03 ppm1      7.580 ppm2      1.218 CV     1
 ASSI {  119}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 5    and name HD1 ))
      5.000     3.100     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.18924E-03 ppm1      7.478 ppm2      7.260 CV     1
 ASSI {  120}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 5    and name HZ3 ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.40023E-02 ppm1      7.475 ppm2      6.983 CV     1
 ASSI {  121}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 5    and name HA  ))
      4.100     2.100     1.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.15194E-02 ppm1      7.479 ppm2      4.445 CV     1
 ASSI {  122}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 6    and name HA  ))
      4.200     2.200     1.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.62353E-03 ppm1      7.476 ppm2      4.137 CV     1
 ASSI {  123}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.31715E-02 ppm1      7.473 ppm2      3.242 CV     1
 ASSI {  124}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 9    and name HE1 ))
      4.500     2.500     1.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.22805E-03 ppm1      7.475 ppm2      2.996 CV     1
 ASSI {  125}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 6    and name HB2 ))
      5.300     3.500     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.14925E-03 ppm1      7.476 ppm2      1.757 CV     1
 ASSI {  126}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 9    and name HD2 ))
      5.100     3.300     0.900 peak   126 spectrum    1 weight  0.10000E+01 volume  0.90494E-04 ppm1      7.474 ppm2      1.680 CV     1
 ASSI {  129}
   (( segid "    " and resid 3    and name HZ2 ))
   (( segid "    " and resid 3    and name HH2 ))
      2.600     0.800     0.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.49146E-02 ppm1      7.383 ppm2      7.039 CV     1
 ASSI {  130}
   (( segid "    " and resid 5    and name HZ2 ))
   (( segid "    " and resid 5    and name HH2 ))
      2.500     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.59074E-02 ppm1      7.361 ppm2      7.029 CV     1
 ASSI {  131}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HE21))
      1.800     0.400     0.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.20620E-01 ppm1      7.351 ppm2      6.699 CV     1
 ASSI {  132}
   (( segid "    " and resid 3    and name HZ2 ))
   (( segid "    " and resid 5    and name HA  ))
      5.200     3.400     0.800 peak   132 spectrum    1 weight  0.10000E+01 volume  0.15999E-03 ppm1      7.382 ppm2      4.439 CV     1
 ASSI {  133}
   (( segid "    " and resid 5    and name HZ2 ))
   (( segid "    " and resid 7    and name HA  ))
      5.700     4.100     0.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.12002E-03 ppm1      7.357 ppm2      4.243 CV     1
 ASSI {  134}
   (( segid "    " and resid 3    and name HZ2 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.100     2.100     1.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.56426E-03 ppm1      7.391 ppm2      3.237 CV     1
 ASSI {  135}
   (( segid "    " and resid 3    and name HZ2 ))
   (( segid "    " and resid 3    and name HB1 ))
      4.400     2.400     1.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.31792E-03 ppm1      7.381 ppm2      3.126 CV     1
 ASSI {  136}
   (( segid "    " and resid 3    and name HZ2 ))
   (( segid "    " and resid 2    and name HD1 ))
      4.800     2.900     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.41477E-04 ppm1      7.380 ppm2      2.896 CV     1
 ASSI {  137}
   (( segid "    " and resid 3    and name HZ2 ))
   (( segid "    " and resid 9    and name HD2 ))
      4.100     2.100     1.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.44196E-03 ppm1      7.388 ppm2      1.676 CV     1
 ASSI {  138}
   (( segid "    " and resid 5    and name HZ2 ))
   (( segid "    " and resid 9    and name HD2 ))
      4.300     2.300     1.700 peak   138 spectrum    1 weight  0.10000E+01 volume  0.24720E-03 ppm1      7.363 ppm2      1.679 CV     1
 ASSI {  140}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HG1 ))
      4.500     2.500     1.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.56266E-03 ppm1      7.352 ppm2      2.209 CV     1
 ASSI {  141}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HG2 ))
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.95759E-04 ppm1      7.358 ppm2      2.065 CV     1
 ASSI {  142}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 3    and name HA  ))
      4.000     2.000     2.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.11745E-03 ppm1      7.263 ppm2      4.737 CV     1
 ASSI {  143}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HA  ))
      3.900     1.900     1.900 peak   143 spectrum    1 weight  0.10000E+01 volume  0.12210E-02 ppm1      7.262 ppm2      4.443 CV     1
 ASSI {  144}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 4    and name HA  ))
      5.000     3.100     1.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.16009E-03 ppm1      7.262 ppm2      4.329 CV     1
 ASSI {  145}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 6    and name HA  ))
      5.200     3.400     0.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.11116E-03 ppm1      7.265 ppm2      4.145 CV     1
 ASSI {  146}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 5    and name HB2 ))
      3.200     1.200     1.200 peak   146 spectrum    1 weight  0.10000E+01 volume  0.29043E-02 ppm1      7.262 ppm2      3.243 CV     1
 ASSI {  147}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 3    and name HB1 ))
      2.900     2.900     3.100 peak   147 spectrum    1 weight  0.10000E+01 volume  0.84815E-03 ppm1      7.262 ppm2      3.121 CV     1
 ASSI {  148}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 9    and name HE1 ))
      5.600     3.900     0.400 peak   148 spectrum    1 weight  0.10000E+01 volume  0.60077E-04 ppm1      7.261 ppm2      2.991 CV     1
 ASSI {  149}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 4    and name HG1 ))
      4.900     3.000     1.100 peak   149 spectrum    1 weight  0.10000E+01 volume  0.36370E-04 ppm1      7.261 ppm2      2.205 CV     1
 ASSI {  150}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 4    and name HG2 ))
      4.400     2.500     1.600 peak   150 spectrum    1 weight  0.10000E+01 volume  0.66878E-04 ppm1      7.263 ppm2      2.047 CV     1
 ASSI {  151}
   (( segid "    " and resid 5    and name HD1 ))
   (( segid "    " and resid 1    and name HB2 ))
      3.800     1.800     1.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.17270E-03 ppm1      7.260 ppm2      1.802 CV     1
 ASSI {  152}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 3    and name HA  ))
      3.500     1.600     1.600 peak   152 spectrum    1 weight  0.10000E+01 volume  0.13995E-02 ppm1      7.147 ppm2      4.732 CV     1
 ASSI {  153}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 5    and name HA  ))
      5.400     3.600     0.600 peak   153 spectrum    1 weight  0.10000E+01 volume  0.15401E-03 ppm1      7.145 ppm2      4.444 CV     1
 ASSI {  154}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 4    and name HA  ))
      4.700     2.800     1.300 peak   154 spectrum    1 weight  0.10000E+01 volume  0.16755E-03 ppm1      7.146 ppm2      4.334 CV     1
 ASSI {  155}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 2    and name HA  ))
      4.100     2.100     1.900 peak   155 spectrum    1 weight  0.10000E+01 volume  0.10163E-03 ppm1      7.147 ppm2      4.118 CV     1
 ASSI {  156}
   (( segid "    " and resid 1    and name HE  ))
   (( segid "    " and resid 1    and name HA  ))
      4.000     2.000     2.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.12693E-03 ppm1      7.148 ppm2      4.062 CV     1
 ASSI {  157}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.400     2.400     1.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.85999E-03 ppm1      7.148 ppm2      3.238 CV     1
 ASSI {  158}
   (( segid "    " and resid 1    and name HE  ))
   (( segid "    " and resid 1    and name HD2 ))
      2.500     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.56364E-02 ppm1      7.147 ppm2      3.130 CV     1
 ASSI {  159}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 4    and name HG1 ))
      6.000     4.800     0.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.50190E-04 ppm1      7.145 ppm2      2.205 CV     1
 ASSI {  160}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 4    and name HG2 ))
      5.100     3.300     0.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.13876E-03 ppm1      7.147 ppm2      2.057 CV     1
 ASSI {  161}
   (( segid "    " and resid 1    and name HE  ))
   (( segid "    " and resid 1    and name HB1 ))
      3.500     1.600     1.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      7.147 ppm2      1.970 CV     1
 ASSI {  162}
   (( segid "    " and resid 1    and name HE  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.700     1.700     1.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.75712E-03 ppm1      7.146 ppm2      1.791 CV     1
 ASSI {  163}
   (( segid "    " and resid 1    and name HE  ))
   (( segid "    " and resid 1    and name HG2 ))
      3.000     1.100     1.100 peak   163 spectrum    1 weight  0.10000E+01 volume  0.19543E-02 ppm1      7.147 ppm2      1.658 CV     1
 ASSI {  164}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 2    and name HB1 ))
      4.800     2.800     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.15455E-03 ppm1      7.143 ppm2      1.526 CV     1
 ASSI {  165}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 2    and name HG1 ))
      5.500     3.800     0.500 peak   165 spectrum    1 weight  0.10000E+01 volume  0.71968E-04 ppm1      7.150 ppm2      1.352 CV     1
 ASSI {  166}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 2    and name HG2 ))
      5.100     3.200     0.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.80977E-04 ppm1      7.146 ppm2      1.218 CV     1
 ASSI {  167}
   (( segid "    " and resid 3    and name HH2 ))
   (( segid "    " and resid 2    and name HE  ))
      3.200     3.200     2.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.49812E-03 ppm1      7.037 ppm2      6.863 CV     1
 ASSI {  168}
   (( segid "    " and resid 6    and name HE  ))
   (( segid "    " and resid 6    and name HA  ))
      5.200     3.400     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.17685E-03 ppm1      7.048 ppm2      4.136 CV     1
 ASSI {  169}
   (( segid "    " and resid 6    and name HE  ))
   (( segid "    " and resid 6    and name HD2 ))
      2.500     0.800     0.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.43943E-02 ppm1      7.051 ppm2      3.118 CV     1
 ASSI {  170}
   (( segid "    " and resid 6    and name HE  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.500     1.500     1.500 peak   170 spectrum    1 weight  0.10000E+01 volume  0.92536E-03 ppm1      7.051 ppm2      1.768 CV     1
 ASSI {  171}
   (( segid "    " and resid 6    and name HE  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.200     1.300     1.300 peak   171 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      7.051 ppm2      1.632 CV     1
 ASSI {  172}
   (( segid "    " and resid 6    and name HE  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.000     1.100     1.100 peak   172 spectrum    1 weight  0.10000E+01 volume  0.22341E-02 ppm1      7.051 ppm2      1.426 CV     1
 ASSI {  173}
   (( segid "    " and resid 5    and name HH2 ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.92159E-04 ppm1      7.021 ppm2      4.244 CV     1
 ASSI {  174}
   (( segid "    " and resid 3    and name HH2 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.500     2.500     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.41285E-03 ppm1      7.043 ppm2      3.240 CV     1
 ASSI {  175}
   (( segid "    " and resid 5    and name HH2 ))
   (( segid "    " and resid 9    and name HE1 ))
      4.200     2.200     1.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.34538E-03 ppm1      7.019 ppm2      2.985 CV     1
 ASSI {  176}
   (( segid "    " and resid 5    and name HH2 ))
   (( segid "    " and resid 7    and name HB2 ))
      5.100     3.300     0.900 peak   176 spectrum    1 weight  0.10000E+01 volume  0.19433E-03 ppm1      7.033 ppm2      2.070 CV     1
 ASSI {  177}
   (( segid "    " and resid 5    and name HZ3 ))
   (( segid "    " and resid 7    and name HA  ))
      5.100     3.300     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.60651E-04 ppm1      6.984 ppm2      4.238 CV     1
 ASSI {  178}
   (( segid "    " and resid 5    and name HZ3 ))
   (( segid "    " and resid 6    and name HA  ))
      5.800     4.100     0.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.77781E-04 ppm1      6.986 ppm2      4.137 CV     1
 ASSI {  179}
   (( segid "    " and resid 5    and name HZ3 ))
   (( segid "    " and resid 5    and name HB2 ))
      6.000     4.400     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.14177E-03 ppm1      6.984 ppm2      3.243 CV     1
 ASSI {  180}
   (( segid "    " and resid 5    and name HZ3 ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     5.200     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.45375E-04 ppm1      6.987 ppm2      2.070 CV     1
 ASSI {  181}
   (( segid "    " and resid 5    and name HZ3 ))
   (( segid "    " and resid 9    and name HG1 ))
      5.000     3.200     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.12068E-03 ppm1      6.986 ppm2      1.429 CV     1
 ASSI {  182}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     6.000     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.44430E-04 ppm1      6.858 ppm2      4.115 CV     1
 ASSI {  183}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HD1 ))
      3.000     1.100     1.100 peak   183 spectrum    1 weight  0.10000E+01 volume  0.14724E-02 ppm1      6.861 ppm2      2.893 CV     1
 ASSI {  184}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HB2 ))
      4.600     2.600     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.30233E-03 ppm1      6.862 ppm2      1.578 CV     1
 ASSI {  185}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HB1 ))
      4.600     2.600     1.400 peak   185 spectrum    1 weight  0.10000E+01 volume  0.24968E-03 ppm1      6.860 ppm2      1.523 CV     1
 ASSI {  186}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HG1 ))
      3.800     1.800     1.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.59421E-03 ppm1      6.860 ppm2      1.344 CV     1
 ASSI {  187}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HG2 ))
      3.500     1.500     1.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.73374E-03 ppm1      6.860 ppm2      1.216 CV     1
 ASSI {  189}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 4    and name HG1 ))
      3.900     1.900     1.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.27416E-03 ppm1      6.699 ppm2      2.207 CV     1
 ASSI {  190}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.61500E-02 ppm1      3.111 ppm2      4.733 CV     1
 ASSI {  191}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 3    and name HA  ))
      5.100     3.200     0.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.16113E-03 ppm1      2.208 ppm2      4.734 CV     1
 ASSI {  192}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.62586E-02 ppm1      3.244 ppm2      4.442 CV     1
 ASSI {  194}
   (( segid "    " and resid 1    and name HD2 ))
   (( segid "    " and resid 4    and name HA  ))
      5.700     4.100     0.300 peak   194 spectrum    1 weight  0.10000E+01 volume  0.41016E-04 ppm1      3.139 ppm2      4.328 CV     1
 ASSI {  195}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      5.000     3.100     1.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.16354E-03 ppm1      1.636 ppm2      4.446 CV     1
 ASSI {  196}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
      4.300     2.300     1.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.21660E-03 ppm1      1.435 ppm2      4.443 CV     1
 ASSI {  197}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      5.100     3.200     0.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.28098E-03 ppm1      3.247 ppm2      4.333 CV     1
 ASSI {  198}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     5.600     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.14463E-03 ppm1      3.113 ppm2      4.334 CV     1
 ASSI {  199}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.22936E-02 ppm1      1.690 ppm2      4.359 CV     1
 ASSI {  200}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak   200 spectrum    1 weight  0.10000E+01 volume  0.20150E-02 ppm1      1.615 ppm2      4.361 CV     1
 ASSI {  201}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      4.400     2.500     1.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.17466E-03 ppm1      0.933 ppm2      4.361 CV     1
 ASSI {  202}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak   202 spectrum    1 weight  0.10000E+01 volume  0.31517E-02 ppm1      0.877 ppm2      4.365 CV     1
 ASSI {  203}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.400     1.400 peak   203 spectrum    1 weight  0.10000E+01 volume  0.18774E-02 ppm1      2.200 ppm2      4.331 CV     1
 ASSI {  204}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak   204 spectrum    1 weight  0.10000E+01 volume  0.26985E-02 ppm1      2.040 ppm2      4.330 CV     1
 ASSI {  205}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.100     1.100 peak   205 spectrum    1 weight  0.10000E+01 volume  0.16968E-02 ppm1      1.889 ppm2      4.336 CV     1
 ASSI {  206}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.66304E-03 ppm1      2.598 ppm2      4.242 CV     1
 ASSI {  207}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.66610E-03 ppm1      2.522 ppm2      4.245 CV     1
 ASSI {  208}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   208 spectrum    1 weight  0.10000E+01 volume  0.14973E-02 ppm1      2.072 ppm2      4.242 CV     1
 ASSI {  209}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.29959E-02 ppm1      2.005 ppm2      4.244 CV     1
 ASSI {  210}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.25201E-02 ppm1      1.750 ppm2      4.262 CV     1
 ASSI {  211}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.700     1.700     1.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.10003E-02 ppm1      1.678 ppm2      4.253 CV     1
 ASSI {  212}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   212 spectrum    1 weight  0.10000E+01 volume  0.21963E-02 ppm1      1.429 ppm2      4.256 CV     1
 ASSI {  213}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   213 spectrum    1 weight  0.10000E+01 volume  0.57274E-02 ppm1      1.840 ppm2      4.217 CV     1
 ASSI {  214}
   (( segid "    " and resid 8    and name HD1 ))
   (( segid "    " and resid 8    and name HA  ))
      4.200     2.200     1.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.84349E-03 ppm1      1.685 ppm2      4.219 CV     1
 ASSI {  215}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   215 spectrum    1 weight  0.10000E+01 volume  0.21172E-02 ppm1      1.447 ppm2      4.206 CV     1
 ASSI {  216}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     5.200     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.62555E-04 ppm1      3.246 ppm2      4.142 CV     1
 ASSI {  217}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.600     1.600     1.600 peak   217 spectrum    1 weight  0.10000E+01 volume  0.15423E-02 ppm1      3.113 ppm2      4.137 CV     1
 ASSI {  218}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.31603E-02 ppm1      1.764 ppm2      4.139 CV     1
 ASSI {  219}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.100     1.100 peak   219 spectrum    1 weight  0.10000E+01 volume  0.17648E-02 ppm1      1.632 ppm2      4.135 CV     1
 ASSI {  220}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.26616E-02 ppm1      1.431 ppm2      4.138 CV     1
 ASSI {  221}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 2    and name HA  ))
      4.900     3.000     1.100 peak   221 spectrum    1 weight  0.10000E+01 volume  0.35642E-03 ppm1      2.937 ppm2      4.117 CV     1
 ASSI {  222}
   (( segid "    " and resid 2    and name HD1 ))
   (( segid "    " and resid 2    and name HA  ))
      5.400     3.600     0.600 peak   222 spectrum    1 weight  0.10000E+01 volume  0.21498E-03 ppm1      2.902 ppm2      4.117 CV     1
 ASSI {  223}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.26807E-02 ppm1      1.577 ppm2      4.118 CV     1
 ASSI {  224}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
      3.100     1.200     1.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.19826E-02 ppm1      1.529 ppm2      4.116 CV     1
 ASSI {  225}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HA  ))
      3.300     1.300     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.14234E-02 ppm1      1.352 ppm2      4.117 CV     1
 ASSI {  226}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HA  ))
      3.900     1.900     1.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.61143E-03 ppm1      1.221 ppm2      4.119 CV     1
 ASSI {  227}
   (( segid "    " and resid 1    and name HD2 ))
   (( segid "    " and resid 1    and name HA  ))
      4.300     2.300     1.700 peak   227 spectrum    1 weight  0.10000E+01 volume  0.59327E-03 ppm1      3.143 ppm2      4.060 CV     1
 ASSI {  228}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
      3.100     1.200     1.200 peak   228 spectrum    1 weight  0.10000E+01 volume  0.11343E-02 ppm1      1.963 ppm2      4.059 CV     1
 ASSI {  229}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      3.200     1.300     1.300 peak   229 spectrum    1 weight  0.10000E+01 volume  0.12458E-02 ppm1      1.789 ppm2      4.058 CV     1
 ASSI {  230}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 1    and name HA  ))
      3.100     1.200     1.200 peak   230 spectrum    1 weight  0.10000E+01 volume  0.19696E-02 ppm1      1.662 ppm2      4.060 CV     1
 ASSI {  231}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 11   and name HA1 ))
      5.500     3.800     0.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.10835E-03 ppm1      1.626 ppm2      3.835 CV     1
 ASSI {  232}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.900     3.000     1.100 peak   232 spectrum    1 weight  0.10000E+01 volume  0.29685E-03 ppm1      1.765 ppm2      3.232 CV     1
 ASSI {  233}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 5    and name HB2 ))
      5.000     3.200     1.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.93607E-04 ppm1      1.425 ppm2      3.241 CV     1
 ASSI {  234}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 3    and name HB1 ))
      3.800     1.800     1.800 peak   234 spectrum    1 weight  0.10000E+01 volume  0.17858E-03 ppm1      2.204 ppm2      3.122 CV     1
 ASSI {  235}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HD2 ))
      3.200     1.300     1.300 peak   235 spectrum    1 weight  0.10000E+01 volume  0.16652E-02 ppm1      1.969 ppm2      3.138 CV     1
 ASSI {  236}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HD2 ))
      3.000     1.100     1.100 peak   236 spectrum    1 weight  0.10000E+01 volume  0.24215E-02 ppm1      1.795 ppm2      3.148 CV     1
 ASSI {  237}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 1    and name HD2 ))
      2.800     1.000     1.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.29722E-02 ppm1      1.670 ppm2      3.133 CV     1
 ASSI {  238}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HD2 ))
      2.400     0.700     0.700 peak   238 spectrum    1 weight  0.10000E+01 volume  0.56535E-02 ppm1      1.431 ppm2      3.114 CV     1
 ASSI {  239}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HD2 ))
      3.200     1.300     1.300 peak   239 spectrum    1 weight  0.10000E+01 volume  0.13239E-02 ppm1      1.629 ppm2      3.103 CV     1
 ASSI {  240}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HD2 ))
      3.100     1.200     1.200 peak   240 spectrum    1 weight  0.10000E+01 volume  0.20487E-02 ppm1      1.763 ppm2      3.102 CV     1
 ASSI {  241}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HE2 ))
      3.500     1.600     1.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.92324E-03 ppm1      1.829 ppm2      2.991 CV     1
 ASSI {  244}
   (( segid "    " and resid 2    and name HD1 ))
   (( segid "    " and resid 2    and name HD2 ))
      1.800     0.400     0.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.11449E-01 ppm1      2.902 ppm2      2.945 CV     1
 ASSI {  245}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HD1 ))
      3.300     1.300     1.300 peak   245 spectrum    1 weight  0.10000E+01 volume  0.14241E-02 ppm1      1.574 ppm2      2.911 CV     1
 ASSI {  246}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HD1 ))
      2.900     1.000     1.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.19453E-02 ppm1      1.528 ppm2      2.912 CV     1
 ASSI {  247}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HD1 ))
      3.400     1.400     1.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.11096E-02 ppm1      1.348 ppm2      2.898 CV     1
 ASSI {  248}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HD2 ))
      3.900     1.900     1.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.26341E-03 ppm1      1.340 ppm2      2.944 CV     1
 ASSI {  249}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HD1 ))
      3.800     1.800     1.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.38183E-03 ppm1      1.230 ppm2      2.893 CV     1
 ASSI {  250}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HD2 ))
      3.300     1.400     1.400 peak   250 spectrum    1 weight  0.10000E+01 volume  0.11843E-02 ppm1      1.222 ppm2      2.942 CV     1
 ASSI {  251}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HG2 ))
      1.500     0.300     0.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.40785E-01 ppm1      2.527 ppm2      2.592 CV     1
 ASSI {  252}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG2 ))
      3.000     1.100     1.100 peak   252 spectrum    1 weight  0.10000E+01 volume  0.27111E-02 ppm1      2.070 ppm2      2.595 CV     1
 ASSI {  253}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HG2 ))
      3.100     1.200     1.200 peak   253 spectrum    1 weight  0.10000E+01 volume  0.12632E-02 ppm1      2.001 ppm2      2.590 CV     1
 ASSI {  254}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG1 ))
      3.000     1.100     1.100 peak   254 spectrum    1 weight  0.10000E+01 volume  0.16669E-02 ppm1      2.073 ppm2      2.518 CV     1
 ASSI {  255}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HG1 ))
      3.100     1.200     1.200 peak   255 spectrum    1 weight  0.10000E+01 volume  0.23019E-02 ppm1      2.000 ppm2      2.517 CV     1
 ASSI {  256}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HG1 ))
      1.800     0.400     0.400 peak   256 spectrum    1 weight  0.10000E+01 volume  0.14840E-01 ppm1      2.050 ppm2      2.205 CV     1
 ASSI {  257}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HG1 ))
      2.900     1.000     1.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.52092E-02 ppm1      1.889 ppm2      2.203 CV     1
 ASSI {  258}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HB2 ))
      1.500     0.300     0.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.41687E-01 ppm1      2.014 ppm2      2.065 CV     1
 ASSI {  259}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 7    and name HB2 ))
      3.300     1.400     1.400 peak   259 spectrum    1 weight  0.10000E+01 volume  0.38100E-03 ppm1      1.673 ppm2      2.075 CV     1
 ASSI {  260}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HG2 ))
      1.900     1.900     4.100 peak   260 spectrum    1 weight  0.10000E+01 volume  0.18231E-01 ppm1      1.888 ppm2      2.041 CV     1
 ASSI {  261}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HB1 ))
      1.800     0.400     0.400 peak   261 spectrum    1 weight  0.10000E+01 volume  0.11381E-01 ppm1      1.800 ppm2      1.968 CV     1
 ASSI {  262}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 1    and name HB1 ))
      2.300     0.700     0.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.62177E-02 ppm1      1.666 ppm2      1.966 CV     1
 ASSI {  263}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 1    and name HB2 ))
      2.300     0.700     0.700 peak   263 spectrum    1 weight  0.10000E+01 volume  0.12521E-01 ppm1      1.665 ppm2      1.790 CV     1
 ASSI {  264}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HB2 ))
      3.000     1.100     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.29995E-02 ppm1      1.439 ppm2      1.832 CV     1
 ASSI {  265}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.100     0.600     0.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.19570E-01 ppm1      1.617 ppm2      1.686 CV     1
 ASSI {  268}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HG2 ))
      1.800     0.400     0.400 peak   268 spectrum    1 weight  0.10000E+01 volume  0.13494E-01 ppm1      1.342 ppm2      1.214 CV     1
 ASSI {  269}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
      2.600     0.800     0.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.47992E-02 ppm1      1.681 ppm2      0.940 CV     1
 ASSI {  270}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
      2.800     1.000     1.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.24303E-02 ppm1      1.625 ppm2      0.939 CV     1
 ASSI {  271}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
      2.800     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.24547E-02 ppm1      1.680 ppm2      0.880 CV     1
 ASSI {  272}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
      3.000     1.100     1.100 peak   272 spectrum    1 weight  0.10000E+01 volume  0.18309E-02 ppm1      1.621 ppm2      0.880 CV     1
 ASSI {  273}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 10   and name HD1%)
      2.300     2.300     3.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.99141E-02 ppm1      0.879 ppm2      0.948 CV     1
 ASSI {  274}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.100     1.100 peak   274 spectrum    1 weight  0.10000E+01 volume  0.23123E-02 ppm1      7.926 ppm2      4.212 CV     1
 ASSI {  275}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.100     1.200     1.200 peak   275 spectrum    1 weight  0.10000E+01 volume  0.16289E-02 ppm1      7.915 ppm2      1.882 CV     1
 ASSI {  276}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 3    and name HZ2 ))
      5.000     3.100     1.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.10229E-03 ppm1      7.925 ppm2      7.387 CV     1
 ASSI {  277}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.300     2.300     1.700 peak   277 spectrum    1 weight  0.10000E+01 volume  0.31695E-03 ppm1      7.833 ppm2      0.940 CV     1
 ASSI {  278}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HD2 ))
      3.200     1.300     1.300 peak   278 spectrum    1 weight  0.10000E+01 volume  0.11743E-02 ppm1      6.860 ppm2      2.951 CV     1
 ASSI {  279}
   (( segid "    " and resid 5    and name HE1 ))
   (( segid "    " and resid 3    and name HN  ))
      3.900     1.900     1.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.14699E-03 ppm1      9.767 ppm2      7.578 CV     1
 ASSI {  280}
   (( segid "    " and resid 3    and name HE1 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     6.000     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.18547E-04 ppm1      9.689 ppm2      7.651 CV     1
 ASSI {  281}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HD1 ))
      5.500     3.800     0.500 peak   281 spectrum    1 weight  0.10000E+01 volume  0.74057E-04 ppm1      7.579 ppm2      2.896 CV     1
 ASSI {  282}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HE3 ))
      5.100     3.300     0.900 peak   282 spectrum    1 weight  0.10000E+01 volume  0.99089E-04 ppm1      7.831 ppm2      7.487 CV     1
 ASSI {  283}
   (( segid "    " and resid 3    and name HE3 ))
   (( segid "    " and resid 2    and name HE  ))
      5.300     3.500     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.60057E-04 ppm1      7.575 ppm2      6.853 CV     1
 ASSI {  284}
   (( segid "    " and resid 5    and name HE3 ))
   (( segid "    " and resid 9    and name HG1 ))
      4.200     2.200     1.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.35299E-03 ppm1      7.470 ppm2      1.432 CV     1
 ASSI {  285}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      5.200     3.400     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.18959E-03 ppm1      8.468 ppm2      4.730 CV     1
 ASSI {  287}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HB1 ))
      2.700     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.58836E-02 ppm1      1.351 ppm2      1.537 CV     1
 ASSI {  288}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HB2 ))
      2.600     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.28107E-02 ppm1      1.349 ppm2      1.586 CV     1
 ASSI {  289}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HB1 ))
      2.600     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.26127E-02 ppm1      1.218 ppm2      1.534 CV     1
 ASSI {  290}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HB2 ))
      3.300     1.300     1.300 peak   290 spectrum    1 weight  0.10000E+01 volume  0.19815E-02 ppm1      1.224 ppm2      1.583 CV     1
 ASSI {  291}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.200     3.200     2.800 peak   291 spectrum    1 weight  0.10000E+01 volume  0.44511E-03 ppm1      7.907 ppm2      1.629 CV     1
 ASSI {  292}
   (( segid "    " and resid 3    and name HZ2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.900     3.000     1.100 peak   292 spectrum    1 weight  0.10000E+01 volume  0.14813E-03 ppm1      7.381 ppm2      4.254 CV     1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1HT       ARG   1  -7.437   0.047   6.584
    2   2H    ARG   1          2HT       ARG   1  -7.964   1.652   6.648
    3   3H    ARG   1          3HT       ARG   1  -6.543   1.197   7.444
    4    HA   ARG   1           HA       ARG   1  -5.670   2.160   5.589
    5   1HB   ARG   1          2HB       ARG   1  -6.203  -0.713   4.806
    6   2HB   ARG   1          1HB       ARG   1  -4.978   0.320   4.084
    7   1HG   ARG   1          2HG       ARG   1  -3.842   0.487   6.235
    8   2HG   ARG   1          1HG       ARG   1  -5.072  -0.546   6.966
    9   1HD   ARG   1          2HD       ARG   1  -3.217  -1.324   4.718
   10   2HD   ARG   1          1HD       ARG   1  -3.048  -1.805   6.405
   11    HE   ARG   1           HE       ARG   1  -5.588  -2.573   5.517
   12   1HH1  ARG   1          1HH1      ARG   1  -2.237  -3.350   4.965
   13   2HH1  ARG   1          2HH1      ARG   1  -2.556  -4.996   4.531
   14   1HH2  ARG   1          1HH2      ARG   1  -6.019  -4.738   4.949
   15   2HH2  ARG   1          2HH2      ARG   1  -4.707  -5.785   4.523
   16    H    ARG   2           H        ARG   2  -5.976   3.187   3.684
   17    HA   ARG   2           HA       ARG   2  -8.569   3.548   2.684
   18   1HB   ARG   2          2HB       ARG   2  -7.458   4.774   0.834
   19   2HB   ARG   2          1HB       ARG   2  -6.892   5.265   2.424
   20   1HG   ARG   2          2HG       ARG   2  -4.901   3.864   2.137
   21   2HG   ARG   2          1HG       ARG   2  -5.464   3.412   0.527
   22   1HD   ARG   2          2HD       ARG   2  -4.845   6.221   1.440
   23   2HD   ARG   2          1HD       ARG   2  -3.781   5.208   0.465
   24    HE   ARG   2           HE       ARG   2  -6.238   5.368  -0.842
   25   1HH1  ARG   2          1HH1      ARG   2  -3.601   7.465   0.055
   26   2HH1  ARG   2          2HH1      ARG   2  -3.833   8.539  -1.283
   27   1HH2  ARG   2          1HH2      ARG   2  -6.549   6.780  -2.603
   28   2HH2  ARG   2          2HH2      ARG   2  -5.507   8.150  -2.795
   29    H    TRP   3           H        TRP   3  -6.330   1.066   2.133
   30    HA   TRP   3           HA       TRP   3  -8.085  -0.245   0.292
   31   1HB   TRP   3          2HB       TRP   3  -6.321  -0.523  -1.492
   32   2HB   TRP   3          1HB       TRP   3  -7.003   1.090  -1.365
   33    HD1  TRP   3           HD       TRP   3  -4.536   0.638   1.349
   34    HE1  TRP   3           1HE      TRP   3  -2.322   1.788   0.725
   35    HE3  TRP   3           3HE      TRP   3  -5.407   1.428  -3.624
   36    HZ2  TRP   3           2HZ      TRP   3  -1.115   2.871  -1.568
   37    HZ3  TRP   3           3HZ      TRP   3  -3.658   2.519  -4.964
   38    HH2  TRP   3           HH       TRP   3  -1.554   3.231  -3.955
   39    H    GLN   4           H        GLN   4  -5.265  -1.518  -0.592
   40    HA   GLN   4           HA       GLN   4  -4.592  -2.994   1.799
   41   1HB   GLN   4          2HB       GLN   4  -5.072  -5.200   0.748
   42   2HB   GLN   4          1HB       GLN   4  -6.521  -4.260   1.085
   43   1HG   GLN   4          2HG       GLN   4  -6.605  -3.565  -1.260
   44   2HG   GLN   4          1HG       GLN   4  -5.174  -4.537  -1.590
   45   1HE2  GLN   4          1HE2      GLN   4  -5.644  -6.363  -2.557
   46   2HE2  GLN   4          2HE2      GLN   4  -7.046  -7.335  -2.288
   47    H    TRP   5           H        TRP   5  -2.968  -1.340   0.517
   48    HA   TRP   5           HA       TRP   5  -1.482  -2.290  -1.650
   49   1HB   TRP   5          2HB       TRP   5   0.251  -0.705  -0.901
   50   2HB   TRP   5          1HB       TRP   5  -1.353   0.019  -0.858
   51    HD1  TRP   5           HD       TRP   5  -2.526  -0.338   1.806
   52    HE1  TRP   5           1HE      TRP   5  -1.382   0.321   4.016
   53    HE3  TRP   5           3HE      TRP   5   2.339  -0.295   0.226
   54    HZ2  TRP   5           2HZ      TRP   5   1.232   0.799   4.963
   55    HZ3  TRP   5           3HZ      TRP   5   4.100   0.276   1.847
   56    HH2  TRP   5           HH       TRP   5   3.555   0.812   4.166
   57    H    ARG   6           H        ARG   6   1.189  -2.187  -0.706
   58    HA   ARG   6           HA       ARG   6   1.543  -4.326   1.215
   59   1HB   ARG   6          2HB       ARG   6   2.370  -4.644  -1.677
   60   2HB   ARG   6          1HB       ARG   6   2.936  -5.674  -0.371
   61   1HG   ARG   6          2HG       ARG   6   0.636  -6.396   0.052
   62   2HG   ARG   6          1HG       ARG   6   0.078  -5.368  -1.268
   63   1HD   ARG   6          2HD       ARG   6   1.434  -6.645  -2.845
   64   2HD   ARG   6          1HD       ARG   6   2.024  -7.658  -1.527
   65    HE   ARG   6           HE       ARG   6  -0.770  -7.770  -1.540
   66   1HH1  ARG   6          1HH1      ARG   6   1.926  -8.746  -3.522
   67   2HH1  ARG   6          2HH1      ARG   6   1.099 -10.108  -4.201
   68   1HH2  ARG   6          1HH2      ARG   6  -1.864  -9.563  -2.428
   69   2HH2  ARG   6          2HH2      ARG   6  -1.054 -10.572  -3.581
   70    H    MET   7           H        MET   7   3.156  -2.365  -1.286
   71    HA   MET   7           HA       MET   7   4.855  -1.081   0.561
   72   1HB   MET   7          2HB       MET   7   7.009  -2.020  -0.015
   73   2HB   MET   7          1HB       MET   7   5.965  -3.289   0.605
   74   1HG   MET   7          2HG       MET   7   6.477  -2.782  -2.316
   75   2HG   MET   7          1HG       MET   7   7.349  -3.957  -1.337
   76   1HE   MET   7          1HE       MET   7   6.512  -4.841  -3.726
   77   2HE   MET   7          2HE       MET   7   5.014  -5.753  -3.913
   78   3HE   MET   7          3HE       MET   7   6.319  -6.396  -2.916
   79    H    LYS   8           H        LYS   8   3.135  -0.395  -1.591
   80    HA   LYS   8           HA       LYS   8   4.771   0.398  -3.832
   81   1HB   LYS   8          2HB       LYS   8   2.396  -0.228  -4.121
   82   2HB   LYS   8          1HB       LYS   8   1.923   1.143  -3.128
   83   1HG   LYS   8          2HG       LYS   8   2.893   2.667  -4.784
   84   2HG   LYS   8          1HG       LYS   8   3.331   1.281  -5.787
   85   1HD   LYS   8          2HD       LYS   8   0.947   0.665  -5.925
   86   2HD   LYS   8          1HD       LYS   8   0.540   2.101  -4.984
   87   1HE   LYS   8          2HE       LYS   8   0.201   2.528  -7.345
   88   2HE   LYS   8          1HE       LYS   8   1.532   3.510  -6.735
   89   1HZ   LYS   8          1HZ       LYS   8   2.054   2.512  -8.880
   90   2HZ   LYS   8          2HZ       LYS   8   1.820   0.964  -8.241
   91   3HZ   LYS   8          3HZ       LYS   8   3.091   1.927  -7.677
   92    H    LYS   9           H        LYS   9   3.295   1.875  -1.010
   93    HA   LYS   9           HA       LYS   9   3.865   4.565  -1.602
   94   1HB   LYS   9          2HB       LYS   9   3.647   3.245   1.108
   95   2HB   LYS   9          1HB       LYS   9   3.525   4.969   0.792
   96   1HG   LYS   9          2HG       LYS   9   1.491   4.634  -0.466
   97   2HG   LYS   9          1HG       LYS   9   1.635   2.884  -0.280
   98   1HD   LYS   9          2HD       LYS   9   1.449   3.153   2.161
   99   2HD   LYS   9          1HD       LYS   9   1.249   4.892   1.940
  100   1HE   LYS   9          2HE       LYS   9  -0.789   4.515   0.667
  101   2HE   LYS   9          1HE       LYS   9  -0.576   2.770   0.814
  102   1HZ   LYS   9          1HZ       LYS   9  -0.505   3.955   3.373
  103   2HZ   LYS   9          2HZ       LYS   9  -1.596   2.815   2.766
  104   3HZ   LYS   9          3HZ       LYS   9  -1.901   4.467   2.565
  105    H    LEU  10           H        LEU  10   5.672   2.138   0.231
  106    HA   LEU  10           HA       LEU  10   7.799   3.795   1.022
  107   1HB   LEU  10          2HB       LEU  10   7.355   1.618   2.039
  108   2HB   LEU  10          1HB       LEU  10   7.760   0.816   0.533
  109    HG   LEU  10           HG       LEU  10  10.083   1.631   0.739
  110   1HD1  LEU  10          1HD1      LEU  10  10.618   2.400   3.186
  111   2HD1  LEU  10          2HD1      LEU  10   8.944   2.955   3.152
  112   3HD1  LEU  10          3HD1      LEU  10  10.100   3.566   1.969
  113   1HD2  LEU  10          1HD2      LEU  10   8.781  -0.148   2.709
  114   2HD2  LEU  10          2HD2      LEU  10  10.441   0.339   3.050
  115   3HD2  LEU  10          3HD2      LEU  10  10.057  -0.487   1.540
  116    H    GLY  11           H        GLY  11   9.671   4.404   0.065
  117   1HA   GLY  11          2HA       GLY  11  10.866   3.148  -2.154
  118   2HA   GLY  11          1HA       GLY  11   9.864   4.470  -2.731
  Start of MODEL    2
    1   1H    ARG   1          1HT       ARG   1  -8.322   0.596   6.317
    2   2H    ARG   1          2HT       ARG   1  -6.847   0.109   6.986
    3   3H    ARG   1          3HT       ARG   1  -7.688  -0.930   5.949
    4    HA   ARG   1           HA       ARG   1  -6.145   1.488   5.317
    5   1HB   ARG   1          2HB       ARG   1  -6.334  -1.324   4.229
    6   2HB   ARG   1          1HB       ARG   1  -5.412  -0.056   3.437
    7   1HG   ARG   1          2HG       ARG   1  -3.890  -1.343   4.711
    8   2HG   ARG   1          1HG       ARG   1  -4.098   0.194   5.551
    9   1HD   ARG   1          2HD       ARG   1  -5.746  -0.911   7.044
   10   2HD   ARG   1          1HD       ARG   1  -5.380  -2.444   6.253
   11    HE   ARG   1           HE       ARG   1  -3.551  -2.594   7.593
   12   1HH1  ARG   1          1HH1      ARG   1  -4.375   0.781   7.273
   13   2HH1  ARG   1          2HH1      ARG   1  -3.116   1.320   8.333
   14   1HH2  ARG   1          1HH2      ARG   1  -1.890  -1.889   8.983
   15   2HH2  ARG   1          2HH2      ARG   1  -1.703  -0.197   9.302
   16    H    ARG   2           H        ARG   2  -6.568   2.729   3.549
   17    HA   ARG   2           HA       ARG   2  -9.189   3.058   2.663
   18   1HB   ARG   2          2HB       ARG   2  -8.262   4.544   0.965
   19   2HB   ARG   2          1HB       ARG   2  -7.463   4.802   2.510
   20   1HG   ARG   2          2HG       ARG   2  -5.571   3.442   1.751
   21   2HG   ARG   2          1HG       ARG   2  -6.369   3.223   0.192
   22   1HD   ARG   2          2HD       ARG   2  -6.313   5.632  -0.182
   23   2HD   ARG   2          1HD       ARG   2  -5.542   5.866   1.386
   24    HE   ARG   2           HE       ARG   2  -3.991   4.086  -0.129
   25   1HH1  ARG   2          1HH1      ARG   2  -4.927   7.442  -0.075
   26   2HH1  ARG   2          2HH1      ARG   2  -3.481   7.992  -0.851
   27   1HH2  ARG   2          1HH2      ARG   2  -2.081   4.803  -1.151
   28   2HH2  ARG   2          2HH2      ARG   2  -1.863   6.492  -1.462
   29    H    TRP   3           H        TRP   3  -6.892   0.735   1.793
   30    HA   TRP   3           HA       TRP   3  -8.671  -0.451  -0.126
   31   1HB   TRP   3          2HB       TRP   3  -6.914  -0.595  -1.918
   32   2HB   TRP   3          1HB       TRP   3  -7.552   1.019  -1.657
   33    HD1  TRP   3           HD       TRP   3  -5.118   0.336   1.026
   34    HE1  TRP   3           1HE      TRP   3  -2.860   1.438   0.478
   35    HE3  TRP   3           3HE      TRP   3  -5.916   1.415  -3.907
   36    HZ2  TRP   3           2HZ      TRP   3  -1.597   2.597  -1.743
   37    HZ3  TRP   3           3HZ      TRP   3  -4.116   2.514  -5.176
   38    HH2  TRP   3           HH       TRP   3  -1.997   3.095  -4.113
   39    H    GLN   4           H        GLN   4  -5.812  -1.653  -1.046
   40    HA   GLN   4           HA       GLN   4  -5.196  -3.285   1.250
   41   1HB   GLN   4          2HB       GLN   4  -5.645  -5.423   0.055
   42   2HB   GLN   4          1HB       GLN   4  -7.101  -4.509   0.424
   43   1HG   GLN   4          2HG       GLN   4  -7.135  -3.666  -1.879
   44   2HG   GLN   4          1HG       GLN   4  -5.708  -4.634  -2.239
   45   1HE2  GLN   4          1HE2      GLN   4  -7.507  -6.351  -0.075
   46   2HE2  GLN   4          2HE2      GLN   4  -8.416  -7.329  -1.170
   47    H    TRP   5           H        TRP   5  -3.500  -1.603   0.236
   48    HA   TRP   5           HA       TRP   5  -1.960  -2.362  -1.981
   49   1HB   TRP   5          2HB       TRP   5  -0.243  -0.855  -1.035
   50   2HB   TRP   5          1HB       TRP   5  -1.845  -0.128  -1.025
   51    HD1  TRP   5           HD       TRP   5  -3.148  -0.715   1.555
   52    HE1  TRP   5           1HE      TRP   5  -2.117  -0.197   3.859
   53    HE3  TRP   5           3HE      TRP   5   1.774  -0.450   0.207
   54    HZ2  TRP   5           2HZ      TRP   5   0.444   0.262   4.955
   55    HZ3  TRP   5           3HZ      TRP   5   3.451   0.034   1.938
   56    HH2  TRP   5           HH       TRP   5   2.797   0.384   4.264
   57    H    ARG   6           H        ARG   6   0.648  -2.178  -0.394
   58    HA   ARG   6           HA       ARG   6   0.900  -4.511   1.176
   59   1HB   ARG   6          2HB       ARG   6   2.267  -5.848  -0.443
   60   2HB   ARG   6          1HB       ARG   6   0.557  -5.752  -0.841
   61   1HG   ARG   6          2HG       ARG   6   1.064  -3.991  -2.484
   62   2HG   ARG   6          1HG       ARG   6   2.779  -4.167  -2.112
   63   1HD   ARG   6          2HD       ARG   6   2.681  -6.511  -2.824
   64   2HD   ARG   6          1HD       ARG   6   0.973  -6.317  -3.214
   65    HE   ARG   6           HE       ARG   6   2.437  -4.377  -4.605
   66   1HH1  ARG   6          1HH1      ARG   6   1.953  -7.828  -4.555
   67   2HH1  ARG   6          2HH1      ARG   6   2.313  -8.031  -6.236
   68   1HH2  ARG   6          1HH2      ARG   6   2.913  -4.638  -6.819
   69   2HH2  ARG   6          2HH2      ARG   6   2.858  -6.219  -7.524
   70    H    MET   7           H        MET   7   2.667  -2.535  -1.199
   71    HA   MET   7           HA       MET   7   4.384  -1.396   0.720
   72   1HB   MET   7          2HB       MET   7   6.506  -2.489   0.084
   73   2HB   MET   7          1HB       MET   7   5.383  -3.609   0.842
   74   1HG   MET   7          2HG       MET   7   4.762  -4.470  -1.365
   75   2HG   MET   7          1HG       MET   7   5.912  -3.361  -2.111
   76   1HE   MET   7          1HE       MET   7   9.311  -4.708  -0.618
   77   2HE   MET   7          2HE       MET   7   8.273  -3.412  -0.024
   78   3HE   MET   7          3HE       MET   7   8.602  -3.559  -1.752
   79    H    LYS   8           H        LYS   8   2.813  -0.528  -1.460
   80    HA   LYS   8           HA       LYS   8   4.541   0.114  -3.671
   81   1HB   LYS   8          2HB       LYS   8   2.118  -0.236  -3.984
   82   2HB   LYS   8          1HB       LYS   8   1.791   1.160  -2.967
   83   1HG   LYS   8          2HG       LYS   8   2.937   2.597  -4.590
   84   2HG   LYS   8          1HG       LYS   8   3.225   1.192  -5.615
   85   1HD   LYS   8          2HD       LYS   8   0.494   2.167  -4.784
   86   2HD   LYS   8          1HD       LYS   8   1.272   2.572  -6.312
   87   1HE   LYS   8          2HE       LYS   8  -0.226   0.769  -6.729
   88   2HE   LYS   8          1HE       LYS   8   1.411   0.120  -6.796
   89   1HZ   LYS   8          1HZ       LYS   8  -0.491  -1.068  -5.447
   90   2HZ   LYS   8          2HZ       LYS   8   0.005   0.000  -4.233
   91   3HZ   LYS   8          3HZ       LYS   8   1.114  -1.084  -4.909
   92    H    LYS   9           H        LYS   9   3.315   1.672  -0.792
   93    HA   LYS   9           HA       LYS   9   4.025   4.317  -1.316
   94   1HB   LYS   9          2HB       LYS   9   4.082   2.911   1.358
   95   2HB   LYS   9          1HB       LYS   9   3.969   4.646   1.099
   96   1HG   LYS   9          2HG       LYS   9   1.794   4.346   0.025
   97   2HG   LYS   9          1HG       LYS   9   1.908   2.605   0.289
   98   1HD   LYS   9          2HD       LYS   9   2.010   3.005   2.719
   99   2HD   LYS   9          1HD       LYS   9   1.829   4.735   2.426
  100   1HE   LYS   9          2HE       LYS   9  -0.159   2.586   1.699
  101   2HE   LYS   9          1HE       LYS   9  -0.303   3.723   3.038
  102   1HZ   LYS   9          1HZ       LYS   9  -0.946   5.371   1.677
  103   2HZ   LYS   9          2HZ       LYS   9  -1.364   4.118   0.620
  104   3HZ   LYS   9          3HZ       LYS   9   0.112   4.924   0.434
  105    H    LEU  10           H        LEU  10   5.906   1.705   0.152
  106    HA   LEU  10           HA       LEU  10   8.193   3.199   0.778
  107   1HB   LEU  10          2HB       LEU  10   7.804   0.981   1.689
  108   2HB   LEU  10          1HB       LEU  10   7.918   0.272   0.091
  109    HG   LEU  10           HG       LEU  10  10.293   0.934  -0.023
  110   1HD1  LEU  10          1HD1      LEU  10   9.903   1.808   2.836
  111   2HD1  LEU  10          2HD1      LEU  10  10.170   2.880   1.461
  112   3HD1  LEU  10          3HD1      LEU  10  11.431   1.753   1.959
  113   1HD2  LEU  10          1HD2      LEU  10   9.372  -1.254   1.015
  114   2HD2  LEU  10          2HD2      LEU  10   9.920  -0.560   2.541
  115   3HD2  LEU  10          3HD2      LEU  10  11.072  -0.843   1.237
  116    H    GLY  11           H        GLY  11   9.923   3.860  -0.362
  117   1HA   GLY  11          2HA       GLY  11  10.851   2.748  -2.765
  118   2HA   GLY  11          1HA       GLY  11   9.780   4.082  -3.163
  Start of MODEL    3
    1   1H    ARG   1          1HT       ARG   1  -8.994  -0.441   6.045
    2   2H    ARG   1          2HT       ARG   1  -8.911   1.069   6.801
    3   3H    ARG   1          3HT       ARG   1  -7.906  -0.190   7.316
    4    HA   ARG   1           HA       ARG   1  -6.722   1.458   5.970
    5   1HB   ARG   1          2HB       ARG   1  -7.024  -1.309   4.782
    6   2HB   ARG   1          1HB       ARG   1  -5.684  -0.216   4.461
    7   1HG   ARG   1          2HG       ARG   1  -5.065  -0.279   6.822
    8   2HG   ARG   1          1HG       ARG   1  -6.409  -1.376   7.144
    9   1HD   ARG   1          2HD       ARG   1  -5.417  -3.021   5.619
   10   2HD   ARG   1          1HD       ARG   1  -4.071  -1.923   5.318
   11    HE   ARG   1           HE       ARG   1  -4.325  -3.697   7.491
   12   1HH1  ARG   1          1HH1      ARG   1  -3.283  -0.451   6.757
   13   2HH1  ARG   1          2HH1      ARG   1  -2.176  -0.370   8.088
   14   1HH2  ARG   1          1HH2      ARG   1  -2.876  -3.596   9.244
   15   2HH2  ARG   1          2HH2      ARG   1  -1.946  -2.158   9.502
   16    H    ARG   2           H        ARG   2  -6.566   2.665   4.144
   17    HA   ARG   2           HA       ARG   2  -8.826   3.351   2.717
   18   1HB   ARG   2          2HB       ARG   2  -7.258   4.454   1.117
   19   2HB   ARG   2          1HB       ARG   2  -6.960   4.843   2.806
   20   1HG   ARG   2          2HG       ARG   2  -5.095   3.323   2.876
   21   2HG   ARG   2          1HG       ARG   2  -5.434   2.784   1.231
   22   1HD   ARG   2          2HD       ARG   2  -4.697   5.600   2.017
   23   2HD   ARG   2          1HD       ARG   2  -3.579   4.411   1.349
   24    HE   ARG   2           HE       ARG   2  -5.765   4.666  -0.387
   25   1HH1  ARG   2          1HH1      ARG   2  -3.040   6.519   0.745
   26   2HH1  ARG   2          2HH1      ARG   2  -2.892   7.435  -0.717
   27   1HH2  ARG   2          1HH2      ARG   2  -5.576   5.865  -2.316
   28   2HH2  ARG   2          2HH2      ARG   2  -4.335   7.065  -2.457
   29    H    TRP   3           H        TRP   3  -6.414   0.898   1.965
   30    HA   TRP   3           HA       TRP   3  -8.220  -0.344   0.113
   31   1HB   TRP   3          2HB       TRP   3  -6.634  -0.290  -1.818
   32   2HB   TRP   3          1HB       TRP   3  -7.308   1.281  -1.414
   33    HD1  TRP   3           HD       TRP   3  -4.602   0.502   0.983
   34    HE1  TRP   3           1HE      TRP   3  -2.424   1.685   0.290
   35    HE3  TRP   3           3HE      TRP   3  -5.905   1.891  -3.759
   36    HZ2  TRP   3           2HZ      TRP   3  -1.404   3.006  -1.968
   37    HZ3  TRP   3           3HZ      TRP   3  -4.259   3.107  -5.124
   38    HH2  TRP   3           HH       TRP   3  -2.050   3.659  -4.244
   39    H    GLN   4           H        GLN   4  -5.768  -1.570  -1.241
   40    HA   GLN   4           HA       GLN   4  -4.724  -3.197   0.952
   41   1HB   GLN   4          2HB       GLN   4  -5.961  -4.349  -1.556
   42   2HB   GLN   4          1HB       GLN   4  -5.187  -5.266  -0.269
   43   1HG   GLN   4          2HG       GLN   4  -6.902  -4.529   1.294
   44   2HG   GLN   4          1HG       GLN   4  -7.673  -3.598   0.014
   45   1HE2  GLN   4          1HE2      GLN   4  -7.876  -6.370   1.700
   46   2HE2  GLN   4          2HE2      GLN   4  -8.706  -7.365   0.558
   47    H    TRP   5           H        TRP   5  -3.158  -1.382  -0.015
   48    HA   TRP   5           HA       TRP   5  -1.770  -1.897  -2.404
   49   1HB   TRP   5          2HB       TRP   5  -0.083  -0.362  -1.521
   50   2HB   TRP   5          1HB       TRP   5  -1.701   0.258  -1.215
   51    HD1  TRP   5           HD       TRP   5  -2.582  -0.697   1.460
   52    HE1  TRP   5           1HE      TRP   5  -1.239  -0.343   3.632
   53    HE3  TRP   5           3HE      TRP   5   2.036   0.082  -0.562
   54    HZ2  TRP   5           2HZ      TRP   5   1.437   0.198   4.380
   55    HZ3  TRP   5           3HZ      TRP   5   3.937   0.511   0.936
   56    HH2  TRP   5           HH       TRP   5   3.644   0.568   3.357
   57    H    ARG   6           H        ARG   6   0.943  -1.741  -0.991
   58    HA   ARG   6           HA       ARG   6   1.339  -4.194   0.362
   59   1HB   ARG   6          2HB       ARG   6   2.704  -5.307  -1.438
   60   2HB   ARG   6          1HB       ARG   6   0.971  -5.277  -1.723
   61   1HG   ARG   6          2HG       ARG   6   1.267  -3.366  -3.236
   62   2HG   ARG   6          1HG       ARG   6   3.011  -3.450  -2.976
   63   1HD   ARG   6          2HD       ARG   6   3.021  -5.731  -3.882
   64   2HD   ARG   6          1HD       ARG   6   1.284  -5.620  -4.164
   65    HE   ARG   6           HE       ARG   6   2.558  -3.475  -5.450
   66   1HH1  ARG   6          1HH1      ARG   6   2.243  -6.936  -5.687
   67   2HH1  ARG   6          2HH1      ARG   6   2.499  -6.971  -7.399
   68   1HH2  ARG   6          1HH2      ARG   6   2.898  -3.512  -7.704
   69   2HH2  ARG   6          2HH2      ARG   6   2.875  -5.026  -8.545
   70    H    MET   7           H        MET   7   3.211  -2.308  -2.039
   71    HA   MET   7           HA       MET   7   4.876  -1.160   0.006
   72   1HB   MET   7          2HB       MET   7   6.074  -3.153  -1.936
   73   2HB   MET   7          1HB       MET   7   7.002  -2.069  -0.913
   74   1HG   MET   7          2HG       MET   7   6.119  -3.159   1.071
   75   2HG   MET   7          1HG       MET   7   5.151  -4.231   0.061
   76   1HE   MET   7          1HE       MET   7   6.203  -6.448   1.208
   77   2HE   MET   7          2HE       MET   7   6.985  -5.300   2.295
   78   3HE   MET   7          3HE       MET   7   7.931  -6.581   1.538
   79    H    LYS   8           H        LYS   8   3.151  -0.223  -2.103
   80    HA   LYS   8           HA       LYS   8   4.767   0.724  -4.270
   81   1HB   LYS   8          2HB       LYS   8   2.001   1.574  -3.380
   82   2HB   LYS   8          1HB       LYS   8   2.761   1.996  -4.910
   83   1HG   LYS   8          2HG       LYS   8   2.786  -0.342  -5.566
   84   2HG   LYS   8          1HG       LYS   8   2.074  -0.797  -4.017
   85   1HD   LYS   8          2HD       LYS   8   0.081   0.529  -4.553
   86   2HD   LYS   8          1HD       LYS   8   0.795   0.968  -6.106
   87   1HE   LYS   8          2HE       LYS   8  -0.801  -0.857  -6.365
   88   2HE   LYS   8          1HE       LYS   8   0.834  -1.387  -6.758
   89   1HZ   LYS   8          1HZ       LYS   8   0.072  -1.770  -3.996
   90   2HZ   LYS   8          2HZ       LYS   8   0.859  -2.826  -5.058
   91   3HZ   LYS   8          3HZ       LYS   8  -0.827  -2.686  -5.099
   92    H    LYS   9           H        LYS   9   3.476   2.017  -1.275
   93    HA   LYS   9           HA       LYS   9   4.366   4.691  -1.703
   94   1HB   LYS   9          2HB       LYS   9   3.693   3.301   0.896
   95   2HB   LYS   9          1HB       LYS   9   3.836   5.039   0.661
   96   1HG   LYS   9          2HG       LYS   9   1.946   4.973  -0.899
   97   2HG   LYS   9          1HG       LYS   9   1.788   3.238  -0.615
   98   1HD   LYS   9          2HD       LYS   9   1.396   3.692   1.776
   99   2HD   LYS   9          1HD       LYS   9   1.488   5.424   1.444
  100   1HE   LYS   9          2HE       LYS   9  -0.529   3.483   0.319
  101   2HE   LYS   9          1HE       LYS   9  -0.829   4.702   1.556
  102   1HZ   LYS   9          1HZ       LYS   9  -0.862   4.985  -1.259
  103   2HZ   LYS   9          2HZ       LYS   9   0.285   6.037  -0.595
  104   3HZ   LYS   9          3HZ       LYS   9  -1.322   6.100  -0.072
  105    H    LEU  10           H        LEU  10   5.668   1.912   0.039
  106    HA   LEU  10           HA       LEU  10   7.869   3.162   1.229
  107   1HB   LEU  10          2HB       LEU  10   7.077   0.914   1.820
  108   2HB   LEU  10          1HB       LEU  10   7.607   0.315   0.261
  109    HG   LEU  10           HG       LEU  10   9.947   0.866   0.878
  110   1HD1  LEU  10          1HD1      LEU  10   9.152   1.156   3.723
  111   2HD1  LEU  10          2HD1      LEU  10   8.998   2.564   2.672
  112   3HD1  LEU  10          3HD1      LEU  10  10.564   1.780   2.871
  113   1HD2  LEU  10          1HD2      LEU  10  10.275  -1.022   2.281
  114   2HD2  LEU  10          2HD2      LEU  10   8.886  -1.380   1.255
  115   3HD2  LEU  10          3HD2      LEU  10   8.641  -0.901   2.934
  116    H    GLY  11           H        GLY  11   9.907   3.637   0.560
  117   1HA   GLY  11          2HA       GLY  11  11.150   2.604  -1.751
  118   2HA   GLY  11          1HA       GLY  11  10.400   4.143  -2.149
  Start of MODEL    4
    1   1H    ARG   1          1HT       ARG   1  -7.172   0.333   6.996
    2   2H    ARG   1          2HT       ARG   1  -7.898  -0.838   6.013
    3   3H    ARG   1          3HT       ARG   1  -8.496   0.745   6.026
    4    HA   ARG   1           HA       ARG   1  -6.066   1.322   5.305
    5   1HB   ARG   1          2HB       ARG   1  -6.514  -1.526   4.393
    6   2HB   ARG   1          1HB       ARG   1  -5.278  -0.470   3.731
    7   1HG   ARG   1          2HG       ARG   1  -4.232  -1.889   5.313
    8   2HG   ARG   1          1HG       ARG   1  -4.318  -0.283   6.033
    9   1HD   ARG   1          2HD       ARG   1  -6.274  -0.961   7.327
   10   2HD   ARG   1          1HD       ARG   1  -6.220  -2.558   6.583
   11    HE   ARG   1           HE       ARG   1  -3.742  -2.072   7.774
   12   1HH1  ARG   1          1HH1      ARG   1  -7.065  -2.560   8.709
   13   2HH1  ARG   1          2HH1      ARG   1  -6.663  -3.249  10.247
   14   1HH2  ARG   1          1HH2      ARG   1  -3.207  -2.977   9.794
   15   2HH2  ARG   1          2HH2      ARG   1  -4.471  -3.485  10.864
   16    H    ARG   2           H        ARG   2  -6.181   2.478   3.445
   17    HA   ARG   2           HA       ARG   2  -8.652   2.881   2.200
   18   1HB   ARG   2          2HB       ARG   2  -7.375   4.188   0.515
   19   2HB   ARG   2          1HB       ARG   2  -6.994   4.622   2.175
   20   1HG   ARG   2          2HG       ARG   2  -4.949   3.289   2.054
   21   2HG   ARG   2          1HG       ARG   2  -5.331   2.861   0.384
   22   1HD   ARG   2          2HD       ARG   2  -5.234   5.216  -0.247
   23   2HD   ARG   2          1HD       ARG   2  -4.885   5.658   1.422
   24    HE   ARG   2           HE       ARG   2  -2.967   3.805   0.533
   25   1HH1  ARG   2          1HH1      ARG   2  -3.945   7.114   0.052
   26   2HH1  ARG   2          2HH1      ARG   2  -2.361   7.654  -0.392
   27   1HH2  ARG   2          1HH2      ARG   2  -0.876   4.507  -0.053
   28   2HH2  ARG   2          2HH2      ARG   2  -0.616   6.172  -0.454
   29    H    TRP   3           H        TRP   3  -6.234   0.515   1.638
   30    HA   TRP   3           HA       TRP   3  -7.863  -0.805  -0.306
   31   1HB   TRP   3          2HB       TRP   3  -6.097  -0.830  -2.096
   32   2HB   TRP   3          1HB       TRP   3  -6.862   0.733  -1.850
   33    HD1  TRP   3           HD       TRP   3  -4.354   0.159   0.816
   34    HE1  TRP   3           1HE      TRP   3  -2.172   1.407   0.270
   35    HE3  TRP   3           3HE      TRP   3  -5.290   1.326  -4.070
   36    HZ2  TRP   3           2HZ      TRP   3  -1.012   2.690  -1.938
   37    HZ3  TRP   3           3HZ      TRP   3  -3.579   2.562  -5.333
   38    HH2  TRP   3           HH       TRP   3  -1.480   3.235  -4.286
   39    H    GLN   4           H        GLN   4  -5.276  -2.049  -1.396
   40    HA   GLN   4           HA       GLN   4  -4.396  -3.557   0.947
   41   1HB   GLN   4          2HB       GLN   4  -5.398  -4.853  -1.598
   42   2HB   GLN   4          1HB       GLN   4  -4.721  -5.691  -0.207
   43   1HG   GLN   4          2HG       GLN   4  -6.578  -4.902   1.167
   44   2HG   GLN   4          1HG       GLN   4  -7.260  -4.081  -0.233
   45   1HE2  GLN   4          1HE2      GLN   4  -8.865  -5.139  -1.130
   46   2HE2  GLN   4          2HE2      GLN   4  -9.047  -6.855  -1.208
   47    H    TRP   5           H        TRP   5  -2.818  -1.739   0.005
   48    HA   TRP   5           HA       TRP   5  -1.231  -2.291  -2.235
   49   1HB   TRP   5          2HB       TRP   5   0.353  -0.697  -1.250
   50   2HB   TRP   5          1HB       TRP   5  -1.300  -0.108  -1.120
   51    HD1  TRP   5           HD       TRP   5  -2.448  -0.864   1.456
   52    HE1  TRP   5           1HE      TRP   5  -1.341  -0.482   3.750
   53    HE3  TRP   5           3HE      TRP   5   2.412  -0.375  -0.056
   54    HZ2  TRP   5           2HZ      TRP   5   1.253  -0.033   4.778
   55    HZ3  TRP   5           3HZ      TRP   5   4.144   0.030   1.643
   56    HH2  TRP   5           HH       TRP   5   3.574   0.200   4.011
   57    H    ARG   6           H        ARG   6   1.387  -2.053  -0.859
   58    HA   ARG   6           HA       ARG   6   1.826  -4.384   0.705
   59   1HB   ARG   6          2HB       ARG   6   3.171  -5.653  -0.916
   60   2HB   ARG   6          1HB       ARG   6   1.488  -5.545  -1.406
   61   1HG   ARG   6          2HG       ARG   6   3.676  -3.785  -2.490
   62   2HG   ARG   6          1HG       ARG   6   3.145  -5.286  -3.247
   63   1HD   ARG   6          2HD       ARG   6   1.442  -2.851  -2.731
   64   2HD   ARG   6          1HD       ARG   6   2.091  -3.353  -4.292
   65    HE   ARG   6           HE       ARG   6   0.589  -5.464  -3.229
   66   1HH1  ARG   6          1HH1      ARG   6   0.129  -2.251  -4.500
   67   2HH1  ARG   6          2HH1      ARG   6  -1.476  -2.568  -5.068
   68   1HH2  ARG   6          1HH2      ARG   6  -1.518  -5.889  -3.972
   69   2HH2  ARG   6          2HH2      ARG   6  -2.413  -4.638  -4.769
   70    H    MET   7           H        MET   7   3.387  -2.264  -1.682
   71    HA   MET   7           HA       MET   7   5.057  -1.007   0.205
   72   1HB   MET   7          2HB       MET   7   7.237  -1.936  -0.475
   73   2HB   MET   7          1HB       MET   7   6.215  -3.146   0.287
   74   1HG   MET   7          2HG       MET   7   5.637  -4.054  -1.894
   75   2HG   MET   7          1HG       MET   7   6.625  -2.823  -2.678
   76   1HE   MET   7          1HE       MET   7   8.090  -4.743  -4.021
   77   2HE   MET   7          2HE       MET   7   6.864  -5.804  -3.325
   78   3HE   MET   7          3HE       MET   7   8.571  -6.223  -3.191
   79    H    LYS   8           H        LYS   8   3.365  -0.367  -2.056
   80    HA   LYS   8           HA       LYS   8   5.184   0.571  -4.124
   81   1HB   LYS   8          2HB       LYS   8   2.185   0.866  -3.851
   82   2HB   LYS   8          1HB       LYS   8   3.131   1.368  -5.246
   83   1HG   LYS   8          2HG       LYS   8   3.789  -0.956  -5.635
   84   2HG   LYS   8          1HG       LYS   8   2.831  -1.455  -4.240
   85   1HD   LYS   8          2HD       LYS   8   1.586  -1.849  -6.284
   86   2HD   LYS   8          1HD       LYS   8   0.810  -0.573  -5.344
   87   1HE   LYS   8          2HE       LYS   8   0.875  -0.006  -7.717
   88   2HE   LYS   8          1HE       LYS   8   1.847   1.117  -6.766
   89   1HZ   LYS   8          1HZ       LYS   8   3.533   0.654  -8.105
   90   2HZ   LYS   8          2HZ       LYS   8   2.650  -0.543  -8.910
   91   3HZ   LYS   8          3HZ       LYS   8   3.541  -0.936  -7.526
   92    H    LYS   9           H        LYS   9   2.962   1.902  -1.720
   93    HA   LYS   9           HA       LYS   9   3.450   4.621  -2.301
   94   1HB   LYS   9          2HB       LYS   9   2.372   5.065  -0.138
   95   2HB   LYS   9          1HB       LYS   9   1.467   3.891  -1.085
   96   1HG   LYS   9          2HG       LYS   9   2.566   2.087   0.249
   97   2HG   LYS   9          1HG       LYS   9   3.250   3.348   1.277
   98   1HD   LYS   9          2HD       LYS   9   0.307   2.883   0.794
   99   2HD   LYS   9          1HD       LYS   9   1.201   2.387   2.232
  100   1HE   LYS   9          2HE       LYS   9   0.809   5.219   1.268
  101   2HE   LYS   9          1HE       LYS   9  -0.025   4.457   2.622
  102   1HZ   LYS   9          1HZ       LYS   9   1.635   5.111   3.915
  103   2HZ   LYS   9          2HZ       LYS   9   2.489   5.732   2.594
  104   3HZ   LYS   9          3HZ       LYS   9   2.697   4.116   3.052
  105    H    LEU  10           H        LEU  10   4.918   2.363  -0.025
  106    HA   LEU  10           HA       LEU  10   6.500   4.179   1.402
  107   1HB   LEU  10          2HB       LEU  10   6.128   1.869   2.116
  108   2HB   LEU  10          1HB       LEU  10   7.046   1.284   0.743
  109    HG   LEU  10           HG       LEU  10   9.067   2.400   1.658
  110   1HD1  LEU  10          1HD1      LEU  10   9.120   3.497   3.680
  111   2HD1  LEU  10          2HD1      LEU  10   7.638   2.734   4.256
  112   3HD1  LEU  10          3HD1      LEU  10   7.557   4.012   3.043
  113   1HD2  LEU  10          1HD2      LEU  10   9.130   0.862   3.771
  114   2HD2  LEU  10          2HD2      LEU  10   9.057   0.156   2.156
  115   3HD2  LEU  10          3HD2      LEU  10   7.595   0.268   3.136
  116    H    GLY  11           H        GLY  11   7.291   2.220  -1.463
  117   1HA   GLY  11          2HA       GLY  11   9.925   3.235  -1.751
  118   2HA   GLY  11          1HA       GLY  11   9.004   2.390  -2.987
  Start of MODEL    5
    1   1H    ARG   1          1HT       ARG   1  -8.265  -0.757   7.308
    2   2H    ARG   1          2HT       ARG   1  -9.267   0.063   6.221
    3   3H    ARG   1          3HT       ARG   1  -8.795   0.811   7.662
    4    HA   ARG   1           HA       ARG   1  -6.910   1.549   6.814
    5   1HB   ARG   1          2HB       ARG   1  -6.076  -0.792   7.101
    6   2HB   ARG   1          1HB       ARG   1  -6.574  -1.130   5.450
    7   1HG   ARG   1          2HG       ARG   1  -4.987   0.449   4.589
    8   2HG   ARG   1          1HG       ARG   1  -4.574   0.981   6.220
    9   1HD   ARG   1          2HD       ARG   1  -3.785  -1.321   6.712
   10   2HD   ARG   1          1HD       ARG   1  -4.090  -1.748   5.029
   11    HE   ARG   1           HE       ARG   1  -2.067  -0.841   4.549
   12   1HH1  ARG   1          1HH1      ARG   1  -3.304   0.757   7.392
   13   2HH1  ARG   1          2HH1      ARG   1  -1.915   1.774   7.581
   14   1HH2  ARG   1          1HH2      ARG   1  -0.234   0.494   4.797
   15   2HH2  ARG   1          2HH2      ARG   1  -0.171   1.622   6.108
   16    H    ARG   2           H        ARG   2  -6.117   2.543   4.897
   17    HA   ARG   2           HA       ARG   2  -7.947   3.492   3.129
   18   1HB   ARG   2          2HB       ARG   2  -5.743   4.468   3.326
   19   2HB   ARG   2          1HB       ARG   2  -5.002   3.025   2.647
   20   1HG   ARG   2          2HG       ARG   2  -6.133   3.457   0.515
   21   2HG   ARG   2          1HG       ARG   2  -6.846   4.917   1.200
   22   1HD   ARG   2          2HD       ARG   2  -4.622   5.855   1.547
   23   2HD   ARG   2          1HD       ARG   2  -3.891   4.383   0.908
   24    HE   ARG   2           HE       ARG   2  -5.653   5.410  -1.012
   25   1HH1  ARG   2          1HH1      ARG   2  -2.628   6.217   0.517
   26   2HH1  ARG   2          2HH1      ARG   2  -2.026   7.098  -0.846
   27   1HH2  ARG   2          1HH2      ARG   2  -4.866   6.566  -2.814
   28   2HH2  ARG   2          2HH2      ARG   2  -3.297   7.296  -2.739
   29    H    TRP   3           H        TRP   3  -5.974   0.576   2.700
   30    HA   TRP   3           HA       TRP   3  -7.911  -0.639   1.030
   31   1HB   TRP   3          2HB       TRP   3  -6.497  -0.749  -1.047
   32   2HB   TRP   3          1HB       TRP   3  -7.149   0.843  -0.692
   33    HD1  TRP   3           HD       TRP   3  -4.213   0.175   1.482
   34    HE1  TRP   3           1HE      TRP   3  -2.150   1.408   0.565
   35    HE3  TRP   3           3HE      TRP   3  -6.013   1.452  -3.126
   36    HZ2  TRP   3           2HZ      TRP   3  -1.398   2.736  -1.793
   37    HZ3  TRP   3           3HZ      TRP   3  -4.548   2.697  -4.657
   38    HH2  TRP   3           HH       TRP   3  -2.283   3.330  -4.003
   39    H    GLN   4           H        GLN   4  -5.468  -1.871  -0.480
   40    HA   GLN   4           HA       GLN   4  -4.299  -3.464   1.661
   41   1HB   GLN   4          2HB       GLN   4  -4.856  -5.572   0.467
   42   2HB   GLN   4          1HB       GLN   4  -6.275  -4.735   1.084
   43   1HG   GLN   4          2HG       GLN   4  -6.693  -3.822  -1.149
   44   2HG   GLN   4          1HG       GLN   4  -5.292  -4.697  -1.759
   45   1HE2  GLN   4          1HE2      GLN   4  -6.595  -6.630   0.542
   46   2HE2  GLN   4          2HE2      GLN   4  -7.632  -7.599  -0.441
   47    H    TRP   5           H        TRP   5  -2.894  -1.647   0.433
   48    HA   TRP   5           HA       TRP   5  -1.716  -2.186  -2.035
   49   1HB   TRP   5          2HB       TRP   5   0.108  -0.709  -1.248
   50   2HB   TRP   5          1HB       TRP   5  -1.486  -0.042  -0.906
   51    HD1  TRP   5           HD       TRP   5  -2.349  -0.818   1.772
   52    HE1  TRP   5           1HE      TRP   5  -0.963  -0.523   3.921
   53    HE3  TRP   5           3HE      TRP   5   2.316  -0.494  -0.302
   54    HZ2  TRP   5           2HZ      TRP   5   1.742  -0.193   4.641
   55    HZ3  TRP   5           3HZ      TRP   5   4.249  -0.187   1.190
   56    HH2  TRP   5           HH       TRP   5   3.965  -0.041   3.610
   57    H    ARG   6           H        ARG   6   1.090  -2.122  -1.315
   58    HA   ARG   6           HA       ARG   6   1.619  -4.657   0.006
   59   1HB   ARG   6          2HB       ARG   6   2.432  -4.172  -2.870
   60   2HB   ARG   6          1HB       ARG   6   2.893  -5.559  -1.894
   61   1HG   ARG   6          2HG       ARG   6   0.575  -6.268  -1.764
   62   2HG   ARG   6          1HG       ARG   6   0.076  -4.848  -2.686
   63   1HD   ARG   6          2HD       ARG   6   1.474  -5.636  -4.571
   64   2HD   ARG   6          1HD       ARG   6   1.847  -7.092  -3.649
   65    HE   ARG   6           HE       ARG   6  -0.936  -6.824  -3.802
   66   1HH1  ARG   6          1HH1      ARG   6   1.789  -7.484  -5.870
   67   2HH1  ARG   6          2HH1      ARG   6   0.869  -8.422  -6.999
   68   1HH2  ARG   6          1HH2      ARG   6  -2.156  -8.055  -5.285
   69   2HH2  ARG   6          2HH2      ARG   6  -1.373  -8.746  -6.667
   70    H    MET   7           H        MET   7   3.254  -2.341  -2.166
   71    HA   MET   7           HA       MET   7   4.857  -1.177  -0.180
   72   1HB   MET   7          2HB       MET   7   7.056  -2.171  -0.793
   73   2HB   MET   7          1HB       MET   7   5.970  -3.307  -0.004
   74   1HG   MET   7          2HG       MET   7   5.400  -4.271  -2.172
   75   2HG   MET   7          1HG       MET   7   6.486  -3.131  -2.964
   76   1HE   MET   7          1HE       MET   7   7.182  -6.760  -0.506
   77   2HE   MET   7          2HE       MET   7   6.154  -5.392  -0.082
   78   3HE   MET   7          3HE       MET   7   7.826  -5.446   0.478
   79    H    LYS   8           H        LYS   8   3.374  -0.174  -2.271
   80    HA   LYS   8           HA       LYS   8   5.258   0.564  -4.376
   81   1HB   LYS   8          2HB       LYS   8   2.313   1.161  -4.059
   82   2HB   LYS   8          1HB       LYS   8   3.291   1.621  -5.445
   83   1HG   LYS   8          2HG       LYS   8   3.703  -0.730  -5.945
   84   2HG   LYS   8          1HG       LYS   8   2.738  -1.199  -4.544
   85   1HD   LYS   8          2HD       LYS   8   1.417  -1.381  -6.575
   86   2HD   LYS   8          1HD       LYS   8   0.781  -0.096  -5.546
   87   1HE   LYS   8          2HE       LYS   8   1.942   1.570  -6.908
   88   2HE   LYS   8          1HE       LYS   8   2.590   0.287  -7.931
   89   1HZ   LYS   8          1HZ       LYS   8   0.528   1.507  -8.740
   90   2HZ   LYS   8          2HZ       LYS   8  -0.321   0.644  -7.560
   91   3HZ   LYS   8          3HZ       LYS   8   0.489  -0.184  -8.791
   92    H    LYS   9           H        LYS   9   3.114   2.155  -2.025
   93    HA   LYS   9           HA       LYS   9   4.111   4.760  -2.573
   94   1HB   LYS   9          2HB       LYS   9   2.890   5.418  -0.510
   95   2HB   LYS   9          1HB       LYS   9   1.902   4.532  -1.663
   96   1HG   LYS   9          2HG       LYS   9   2.146   2.507  -0.338
   97   2HG   LYS   9          1HG       LYS   9   3.177   3.370   0.806
   98   1HD   LYS   9          2HD       LYS   9   1.347   4.850   1.384
   99   2HD   LYS   9          1HD       LYS   9   0.313   4.085   0.176
  100   1HE   LYS   9          2HE       LYS   9   0.468   1.970   1.399
  101   2HE   LYS   9          1HE       LYS   9   1.489   2.745   2.609
  102   1HZ   LYS   9          1HZ       LYS   9  -1.124   2.515   2.884
  103   2HZ   LYS   9          2HZ       LYS   9  -1.087   3.994   2.065
  104   3HZ   LYS   9          3HZ       LYS   9  -0.258   3.820   3.528
  105    H    LEU  10           H        LEU  10   4.842   2.351  -0.096
  106    HA   LEU  10           HA       LEU  10   6.536   3.936   1.483
  107   1HB   LEU  10          2HB       LEU  10   5.669   1.792   2.246
  108   2HB   LEU  10          1HB       LEU  10   6.581   0.956   1.004
  109    HG   LEU  10           HG       LEU  10   8.685   1.674   2.082
  110   1HD1  LEU  10          1HD1      LEU  10   7.642   2.379   4.646
  111   2HD1  LEU  10          2HD1      LEU  10   6.993   3.477   3.428
  112   3HD1  LEU  10          3HD1      LEU  10   8.738   3.285   3.601
  113   1HD2  LEU  10          1HD2      LEU  10   8.682  -0.084   3.506
  114   2HD2  LEU  10          2HD2      LEU  10   7.125  -0.398   2.740
  115   3HD2  LEU  10          3HD2      LEU  10   7.190   0.420   4.301
  116    H    GLY  11           H        GLY  11   8.628   4.525   1.325
  117   1HA   GLY  11          2HA       GLY  11  10.620   3.223  -0.149
  118   2HA   GLY  11          1HA       GLY  11   9.924   4.467  -1.178
  Start of MODEL    6
    1   1H    ARG   1          1HT       ARG   1  -9.263   0.641   6.546
    2   2H    ARG   1          2HT       ARG   1  -8.118   1.031   7.727
    3   3H    ARG   1          3HT       ARG   1  -8.119  -0.509   7.027
    4    HA   ARG   1           HA       ARG   1  -6.805   1.834   6.173
    5   1HB   ARG   1          2HB       ARG   1  -6.914  -1.008   5.143
    6   2HB   ARG   1          1HB       ARG   1  -5.731   0.189   4.637
    7   1HG   ARG   1          2HG       ARG   1  -4.951   0.352   6.975
    8   2HG   ARG   1          1HG       ARG   1  -6.080  -0.933   7.409
    9   1HD   ARG   1          2HD       ARG   1  -4.957  -2.455   5.877
   10   2HD   ARG   1          1HD       ARG   1  -3.852  -1.171   5.389
   11    HE   ARG   1           HE       ARG   1  -3.692  -1.482   8.169
   12   1HH1  ARG   1          1HH1      ARG   1  -2.901  -3.209   5.246
   13   2HH1  ARG   1          2HH1      ARG   1  -1.574  -4.065   5.959
   14   1HH2  ARG   1          1HH2      ARG   1  -1.944  -2.605   9.114
   15   2HH2  ARG   1          2HH2      ARG   1  -1.032  -3.723   8.156
   16    H    ARG   2           H        ARG   2  -6.861   2.947   4.281
   17    HA   ARG   2           HA       ARG   2  -9.279   3.317   2.966
   18   1HB   ARG   2          2HB       ARG   2  -7.977   4.593   1.296
   19   2HB   ARG   2          1HB       ARG   2  -7.562   5.018   2.951
   20   1HG   ARG   2          2HG       ARG   2  -5.570   3.592   2.803
   21   2HG   ARG   2          1HG       ARG   2  -5.980   3.219   1.127
   22   1HD   ARG   2          2HD       ARG   2  -5.380   5.957   2.240
   23   2HD   ARG   2          1HD       ARG   2  -4.290   4.978   1.261
   24    HE   ARG   2           HE       ARG   2  -6.670   5.302  -0.159
   25   1HH1  ARG   2          1HH1      ARG   2  -4.004   7.229   0.994
   26   2HH1  ARG   2          2HH1      ARG   2  -4.137   8.400  -0.275
   27   1HH2  ARG   2          1HH2      ARG   2  -6.851   6.843  -1.831
   28   2HH2  ARG   2          2HH2      ARG   2  -5.753   8.181  -1.878
   29    H    TRP   3           H        TRP   3  -6.628   1.138   2.220
   30    HA   TRP   3           HA       TRP   3  -8.341  -0.269   0.364
   31   1HB   TRP   3          2HB       TRP   3  -6.626  -0.260  -1.455
   32   2HB   TRP   3          1HB       TRP   3  -7.367   1.305  -1.168
   33    HD1  TRP   3           HD       TRP   3  -4.779   0.659   1.417
   34    HE1  TRP   3           1HE      TRP   3  -2.634   1.964   0.845
   35    HE3  TRP   3           3HE      TRP   3  -5.892   1.981  -3.391
   36    HZ2  TRP   3           2HZ      TRP   3  -1.568   3.353  -1.353
   37    HZ3  TRP   3           3HZ      TRP   3  -4.246   3.291  -4.664
   38    HH2  TRP   3           HH       TRP   3  -2.124   3.966  -3.663
   39    H    GLN   4           H        GLN   4  -5.559  -1.318  -0.691
   40    HA   GLN   4           HA       GLN   4  -4.587  -2.834   1.556
   41   1HB   GLN   4          2HB       GLN   4  -5.101  -5.033   0.477
   42   2HB   GLN   4          1HB       GLN   4  -6.521  -4.168   1.055
   43   1HG   GLN   4          2HG       GLN   4  -6.939  -3.370  -1.227
   44   2HG   GLN   4          1HG       GLN   4  -5.549  -4.297  -1.788
   45   1HE2  GLN   4          1HE2      GLN   4  -6.092  -6.120  -2.728
   46   2HE2  GLN   4          2HE2      GLN   4  -7.438  -7.124  -2.318
   47    H    TRP   5           H        TRP   5  -3.104  -1.152   0.275
   48    HA   TRP   5           HA       TRP   5  -1.855  -1.841  -2.119
   49   1HB   TRP   5          2HB       TRP   5  -0.027  -0.367  -1.339
   50   2HB   TRP   5          1HB       TRP   5  -1.613   0.349  -1.062
   51    HD1  TRP   5           HD       TRP   5  -2.569  -0.290   1.607
   52    HE1  TRP   5           1HE      TRP   5  -1.233   0.014   3.790
   53    HE3  TRP   5           3HE      TRP   5   2.163  -0.206  -0.334
   54    HZ2  TRP   5           2HZ      TRP   5   1.466   0.255   4.583
   55    HZ3  TRP   5           3HZ      TRP   5   4.065   0.065   1.204
   56    HH2  TRP   5           HH       TRP   5   3.722   0.291   3.610
   57    H    ARG   6           H        ARG   6   0.921  -1.820  -1.325
   58    HA   ARG   6           HA       ARG   6   1.372  -4.253   0.188
   59   1HB   ARG   6          2HB       ARG   6   2.160  -4.049  -2.727
   60   2HB   ARG   6          1HB       ARG   6   2.671  -5.325  -1.632
   61   1HG   ARG   6          2HG       ARG   6   0.337  -6.017  -1.362
   62   2HG   ARG   6          1HG       ARG   6  -0.158  -4.748  -2.484
   63   1HD   ARG   6          2HD       ARG   6   1.230  -5.786  -4.232
   64   2HD   ARG   6          1HD       ARG   6   1.656  -7.076  -3.108
   65    HE   ARG   6           HE       ARG   6  -1.143  -6.894  -3.289
   66   1HH1  ARG   6          1HH1      ARG   6   1.616  -7.876  -5.184
   67   2HH1  ARG   6          2HH1      ARG   6   0.718  -9.014  -6.131
   68   1HH2  ARG   6          1HH2      ARG   6  -2.327  -8.388  -4.532
   69   2HH2  ARG   6          2HH2      ARG   6  -1.522  -9.306  -5.762
   70    H    MET   7           H        MET   7   3.012  -2.109  -2.145
   71    HA   MET   7           HA       MET   7   4.684  -0.881  -0.252
   72   1HB   MET   7          2HB       MET   7   6.846  -1.931  -0.860
   73   2HB   MET   7          1HB       MET   7   5.759  -3.041  -0.036
   74   1HG   MET   7          2HG       MET   7   5.145  -4.028  -2.193
   75   2HG   MET   7          1HG       MET   7   6.261  -2.929  -3.003
   76   1HE   MET   7          1HE       MET   7   7.730  -5.769   0.250
   77   2HE   MET   7          2HE       MET   7   6.275  -6.326  -0.577
   78   3HE   MET   7          3HE       MET   7   6.275  -4.773   0.261
   79    H    LYS   8           H        LYS   8   3.129  -0.002  -2.375
   80    HA   LYS   8           HA       LYS   8   4.940   0.624  -4.568
   81   1HB   LYS   8          2HB       LYS   8   2.034   1.343  -4.152
   82   2HB   LYS   8          1HB       LYS   8   2.961   1.667  -5.607
   83   1HG   LYS   8          2HG       LYS   8   2.578  -1.117  -4.556
   84   2HG   LYS   8          1HG       LYS   8   1.404  -0.346  -5.619
   85   1HD   LYS   8          2HD       LYS   8   2.794  -1.609  -7.039
   86   2HD   LYS   8          1HD       LYS   8   3.345   0.056  -7.217
   87   1HE   LYS   8          2HE       LYS   8   5.189  -0.378  -5.686
   88   2HE   LYS   8          1HE       LYS   8   4.620  -2.030  -5.449
   89   1HZ   LYS   8          1HZ       LYS   8   6.437  -1.936  -7.037
   90   2HZ   LYS   8          2HZ       LYS   8   5.561  -0.875  -8.021
   91   3HZ   LYS   8          3HZ       LYS   8   5.018  -2.461  -7.795
   92    H    LYS   9           H        LYS   9   3.009   2.339  -2.132
   93    HA   LYS   9           HA       LYS   9   3.942   4.920  -2.847
   94   1HB   LYS   9          2HB       LYS   9   2.936   5.667  -0.745
   95   2HB   LYS   9          1HB       LYS   9   1.849   4.610  -1.633
   96   1HG   LYS   9          2HG       LYS   9   2.482   2.746  -0.167
   97   2HG   LYS   9          1HG       LYS   9   3.534   3.837   0.741
   98   1HD   LYS   9          2HD       LYS   9   1.570   5.234   1.278
   99   2HD   LYS   9          1HD       LYS   9   0.542   4.079   0.428
  100   1HE   LYS   9          2HE       LYS   9   0.464   3.682   2.820
  101   2HE   LYS   9          1HE       LYS   9   1.230   2.324   1.995
  102   1HZ   LYS   9          1HZ       LYS   9   2.304   3.239   4.119
  103   2HZ   LYS   9          2HZ       LYS   9   2.860   4.501   3.140
  104   3HZ   LYS   9          3HZ       LYS   9   3.307   2.907   2.797
  105    H    LEU  10           H        LEU  10   5.050   2.507  -0.547
  106    HA   LEU  10           HA       LEU  10   6.830   4.037   0.945
  107   1HB   LEU  10          2HB       LEU  10   6.238   1.739   1.514
  108   2HB   LEU  10          1HB       LEU  10   7.076   1.153   0.090
  109    HG   LEU  10           HG       LEU  10   9.211   1.972   1.034
  110   1HD1  LEU  10          1HD1      LEU  10   8.384   3.766   2.428
  111   2HD1  LEU  10          2HD1      LEU  10   9.286   2.611   3.409
  112   3HD1  LEU  10          3HD1      LEU  10   7.522   2.613   3.447
  113   1HD2  LEU  10          1HD2      LEU  10   9.548   0.113   2.340
  114   2HD2  LEU  10          2HD2      LEU  10   8.081  -0.346   1.476
  115   3HD2  LEU  10          3HD2      LEU  10   7.980   0.250   3.132
  116    H    GLY  11           H        GLY  11   8.862   4.794   0.647
  117   1HA   GLY  11          2HA       GLY  11  10.697   3.862  -1.271
  118   2HA   GLY  11          1HA       GLY  11   9.827   5.230  -1.950
  Start of MODEL    7
    1   1H    ARG   1          1HT       ARG   1  -8.851   1.565   6.691
    2   2H    ARG   1          2HT       ARG   1  -7.850   0.962   7.913
    3   3H    ARG   1          3HT       ARG   1  -8.478  -0.084   6.742
    4    HA   ARG   1           HA       ARG   1  -6.250   1.786   6.575
    5   1HB   ARG   1          2HB       ARG   1  -6.863  -0.876   5.276
    6   2HB   ARG   1          1HB       ARG   1  -5.319  -0.038   5.217
    7   1HG   ARG   1          2HG       ARG   1  -5.151  -0.245   7.670
    8   2HG   ARG   1          1HG       ARG   1  -6.654  -1.169   7.668
    9   1HD   ARG   1          2HD       ARG   1  -4.752  -2.668   7.740
   10   2HD   ARG   1          1HD       ARG   1  -5.606  -2.843   6.208
   11    HE   ARG   1           HE       ARG   1  -3.665  -2.272   5.174
   12   1HH1  ARG   1          1HH1      ARG   1  -3.628  -0.875   8.371
   13   2HH1  ARG   1          2HH1      ARG   1  -2.050  -0.186   8.188
   14   1HH2  ARG   1          1HH2      ARG   1  -1.589  -1.368   4.932
   15   2HH2  ARG   1          2HH2      ARG   1  -0.892  -0.466   6.236
   16    H    ARG   2           H        ARG   2  -5.591   2.756   4.658
   17    HA   ARG   2           HA       ARG   2  -7.485   3.967   3.071
   18   1HB   ARG   2          2HB       ARG   2  -5.145   4.705   3.241
   19   2HB   ARG   2          1HB       ARG   2  -4.635   3.302   2.314
   20   1HG   ARG   2          2HG       ARG   2  -5.923   4.115   0.394
   21   2HG   ARG   2          1HG       ARG   2  -6.396   5.537   1.327
   22   1HD   ARG   2          2HD       ARG   2  -4.036   6.163   1.549
   23   2HD   ARG   2          1HD       ARG   2  -3.574   4.749   0.604
   24    HE   ARG   2           HE       ARG   2  -4.015   5.965  -1.265
   25   1HH1  ARG   2          1HH1      ARG   2  -5.887   7.300   1.357
   26   2HH1  ARG   2          2HH1      ARG   2  -6.557   8.576   0.397
   27   1HH2  ARG   2          1HH2      ARG   2  -4.892   7.644  -2.532
   28   2HH2  ARG   2          2HH2      ARG   2  -5.992   8.771  -1.812
   29    H    TRP   3           H        TRP   3  -5.760   0.942   2.501
   30    HA   TRP   3           HA       TRP   3  -7.823  -0.135   0.904
   31   1HB   TRP   3          2HB       TRP   3  -6.498  -0.312  -1.238
   32   2HB   TRP   3          1HB       TRP   3  -7.079   1.301  -0.856
   33    HD1  TRP   3           HD       TRP   3  -4.145   0.735   1.260
   34    HE1  TRP   3           1HE      TRP   3  -2.036   1.750   0.195
   35    HE3  TRP   3           3HE      TRP   3  -5.922   1.528  -3.465
   36    HZ2  TRP   3           2HZ      TRP   3  -1.240   2.733  -2.311
   37    HZ3  TRP   3           3HZ      TRP   3  -4.411   2.505  -5.142
   38    HH2  TRP   3           HH       TRP   3  -2.113   3.100  -4.574
   39    H    GLN   4           H        GLN   4  -5.543  -1.545  -0.711
   40    HA   GLN   4           HA       GLN   4  -4.485  -3.214   1.450
   41   1HB   GLN   4          2HB       GLN   4  -5.875  -4.286  -1.012
   42   2HB   GLN   4          1HB       GLN   4  -5.085  -5.255   0.225
   43   1HG   GLN   4          2HG       GLN   4  -6.690  -4.408   1.880
   44   2HG   GLN   4          1HG       GLN   4  -7.500  -3.502   0.606
   45   1HE2  GLN   4          1HE2      GLN   4  -6.438  -6.247  -0.823
   46   2HE2  GLN   4          2HE2      GLN   4  -7.835  -7.243  -0.630
   47    H    TRP   5           H        TRP   5  -2.914  -1.419   0.346
   48    HA   TRP   5           HA       TRP   5  -1.605  -2.080  -2.050
   49   1HB   TRP   5          2HB       TRP   5   0.180  -0.579  -1.242
   50   2HB   TRP   5          1HB       TRP   5  -1.419   0.125  -1.021
   51    HD1  TRP   5           HD       TRP   5  -2.423  -0.446   1.654
   52    HE1  TRP   5           1HE      TRP   5  -1.134  -0.062   3.847
   53    HE3  TRP   5           3HE      TRP   5   2.340  -0.376  -0.204
   54    HZ2  TRP   5           2HZ      TRP   5   1.546   0.237   4.680
   55    HZ3  TRP   5           3HZ      TRP   5   4.210  -0.032   1.359
   56    HH2  TRP   5           HH       TRP   5   3.818   0.268   3.750
   57    H    ARG   6           H        ARG   6   1.143  -2.049  -1.206
   58    HA   ARG   6           HA       ARG   6   1.551  -4.470   0.346
   59   1HB   ARG   6          2HB       ARG   6   2.456  -4.277  -2.536
   60   2HB   ARG   6          1HB       ARG   6   2.894  -5.558  -1.417
   61   1HG   ARG   6          2HG       ARG   6   0.504  -6.168  -1.243
   62   2HG   ARG   6          1HG       ARG   6   0.139  -4.946  -2.463
   63   1HD   ARG   6          2HD       ARG   6   1.912  -7.361  -2.815
   64   2HD   ARG   6          1HD       ARG   6   0.295  -7.145  -3.481
   65    HE   ARG   6           HE       ARG   6   1.872  -5.023  -4.365
   66   1HH1  ARG   6          1HH1      ARG   6   1.683  -8.483  -4.728
   67   2HH1  ARG   6          2HH1      ARG   6   2.362  -8.483  -6.322
   68   1HH2  ARG   6          1HH2      ARG   6   2.767  -5.013  -6.465
   69   2HH2  ARG   6          2HH2      ARG   6   2.978  -6.512  -7.308
   70    H    MET   7           H        MET   7   3.219  -2.259  -1.901
   71    HA   MET   7           HA       MET   7   4.845  -1.088   0.058
   72   1HB   MET   7          2HB       MET   7   7.049  -2.099  -0.760
   73   2HB   MET   7          1HB       MET   7   6.064  -3.070   0.323
   74   1HG   MET   7          2HG       MET   7   6.932  -4.471  -1.403
   75   2HG   MET   7          1HG       MET   7   5.193  -4.303  -1.628
   76   1HE   MET   7          1HE       MET   7   6.581  -4.647  -5.288
   77   2HE   MET   7          2HE       MET   7   5.523  -5.339  -4.059
   78   3HE   MET   7          3HE       MET   7   7.273  -5.410  -3.857
   79    H    LYS   8           H        LYS   8   3.292  -0.287  -2.182
   80    HA   LYS   8           HA       LYS   8   5.149   0.528  -4.253
   81   1HB   LYS   8          2HB       LYS   8   2.223   1.174  -3.849
   82   2HB   LYS   8          1HB       LYS   8   3.169   1.613  -5.264
   83   1HG   LYS   8          2HG       LYS   8   3.510  -0.741  -5.783
   84   2HG   LYS   8          1HG       LYS   8   2.594  -1.196  -4.347
   85   1HD   LYS   8          2HD       LYS   8   0.610  -0.097  -5.256
   86   2HD   LYS   8          1HD       LYS   8   1.527   0.387  -6.685
   87   1HE   LYS   8          2HE       LYS   8   0.976  -2.448  -5.814
   88   2HE   LYS   8          1HE       LYS   8   0.151  -1.593  -7.117
   89   1HZ   LYS   8          1HZ       LYS   8   3.036  -2.293  -7.022
   90   2HZ   LYS   8          2HZ       LYS   8   2.306  -1.385  -8.247
   91   3HZ   LYS   8          3HZ       LYS   8   1.863  -3.001  -8.016
   92    H    LYS   9           H        LYS   9   3.136   2.051  -1.776
   93    HA   LYS   9           HA       LYS   9   4.104   4.689  -2.276
   94   1HB   LYS   9          2HB       LYS   9   2.945   5.276  -0.177
   95   2HB   LYS   9          1HB       LYS   9   1.919   4.363  -1.274
   96   1HG   LYS   9          2HG       LYS   9   2.359   2.331   0.029
   97   2HG   LYS   9          1HG       LYS   9   3.348   3.275   1.142
   98   1HD   LYS   9          2HD       LYS   9   1.203   3.042   2.144
   99   2HD   LYS   9          1HD       LYS   9   1.325   4.704   1.571
  100   1HE   LYS   9          2HE       LYS   9  -0.044   2.471   0.075
  101   2HE   LYS   9          1HE       LYS   9  -0.871   3.637   1.104
  102   1HZ   LYS   9          1HZ       LYS   9  -1.108   4.624  -0.919
  103   2HZ   LYS   9          2HZ       LYS   9   0.350   4.023  -1.530
  104   3HZ   LYS   9          3HZ       LYS   9   0.360   5.326  -0.452
  105    H    LEU  10           H        LEU  10   4.986   2.098  -0.088
  106    HA   LEU  10           HA       LEU  10   6.640   3.462   1.678
  107   1HB   LEU  10          2HB       LEU  10   5.976   1.133   1.984
  108   2HB   LEU  10          1HB       LEU  10   6.932   0.660   0.591
  109    HG   LEU  10           HG       LEU  10   8.981   1.376   1.799
  110   1HD1  LEU  10          1HD1      LEU  10   8.984   2.318   3.843
  111   2HD1  LEU  10          2HD1      LEU  10   7.589   1.389   4.393
  112   3HD1  LEU  10          3HD1      LEU  10   7.356   2.819   3.387
  113   1HD2  LEU  10          1HD2      LEU  10   7.358  -0.907   2.251
  114   2HD2  LEU  10          2HD2      LEU  10   8.128  -0.470   3.776
  115   3HD2  LEU  10          3HD2      LEU  10   9.113  -0.767   2.344
  116    H    GLY  11           H        GLY  11   8.653   4.282   1.587
  117   1HA   GLY  11          2HA       GLY  11  10.691   3.475  -0.162
  118   2HA   GLY  11          1HA       GLY  11   9.859   4.842  -0.889
  Start of MODEL    8
    1   1H    ARG   1          1HT       ARG   1  -5.390   2.318   7.709
    2   2H    ARG   1          2HT       ARG   1  -6.685   3.278   7.202
    3   3H    ARG   1          3HT       ARG   1  -5.098   3.740   6.841
    4    HA   ARG   1           HA       ARG   1  -4.963   2.442   5.057
    5   1HB   ARG   1          2HB       ARG   1  -6.611   0.385   6.545
    6   2HB   ARG   1          1HB       ARG   1  -5.714   0.114   5.058
    7   1HG   ARG   1          2HG       ARG   1  -4.563   0.745   7.767
    8   2HG   ARG   1          1HG       ARG   1  -4.499  -0.800   6.920
    9   1HD   ARG   1          2HD       ARG   1  -3.150   0.217   5.154
   10   2HD   ARG   1          1HD       ARG   1  -3.234   1.773   5.980
   11    HE   ARG   1           HE       ARG   1  -2.185  -0.149   7.741
   12   1HH1  ARG   1          1HH1      ARG   1  -1.326   1.609   4.858
   13   2HH1  ARG   1          2HH1      ARG   1   0.374   1.560   5.180
   14   1HH2  ARG   1          1HH2      ARG   1   0.050  -0.216   8.176
   15   2HH2  ARG   1          2HH2      ARG   1   1.157   0.525   7.069
   16    H    ARG   2           H        ARG   2  -6.159   2.267   3.159
   17    HA   ARG   2           HA       ARG   2  -9.059   2.478   3.315
   18   1HB   ARG   2          2HB       ARG   2  -8.897   4.398   1.587
   19   2HB   ARG   2          1HB       ARG   2  -8.668   4.766   3.289
   20   1HG   ARG   2          2HG       ARG   2  -7.027   5.955   2.031
   21   2HG   ARG   2          1HG       ARG   2  -6.214   4.672   2.924
   22   1HD   ARG   2          2HD       ARG   2  -5.329   4.799   0.679
   23   2HD   ARG   2          1HD       ARG   2  -6.209   3.287   0.889
   24    HE   ARG   2           HE       ARG   2  -7.520   3.936  -0.845
   25   1HH1  ARG   2          1HH1      ARG   2  -6.298   6.813   0.703
   26   2HH1  ARG   2          2HH1      ARG   2  -7.086   7.892  -0.397
   27   1HH2  ARG   2          1HH2      ARG   2  -8.557   5.353  -2.296
   28   2HH2  ARG   2          2HH2      ARG   2  -8.369   7.064  -2.100
   29    H    TRP   3           H        TRP   3  -7.155   0.464   2.378
   30    HA   TRP   3           HA       TRP   3  -8.482  -0.324   0.043
   31   1HB   TRP   3          2HB       TRP   3  -6.544  -0.188  -1.566
   32   2HB   TRP   3          1HB       TRP   3  -7.300   1.349  -1.175
   33    HD1  TRP   3           HD       TRP   3  -5.040   0.315   1.586
   34    HE1  TRP   3           1HE      TRP   3  -2.839   1.642   1.442
   35    HE3  TRP   3           3HE      TRP   3  -5.577   2.267  -3.102
   36    HZ2  TRP   3           2HZ      TRP   3  -1.514   3.281  -0.421
   37    HZ3  TRP   3           3HZ      TRP   3  -3.787   3.694  -3.997
   38    HH2  TRP   3           HH       TRP   3  -1.796   4.195  -2.680
   39    H    GLN   4           H        GLN   4  -5.582  -1.340  -0.832
   40    HA   GLN   4           HA       GLN   4  -4.893  -3.203   1.214
   41   1HB   GLN   4          2HB       GLN   4  -5.494  -5.240  -0.093
   42   2HB   GLN   4          1HB       GLN   4  -6.891  -4.337   0.479
   43   1HG   GLN   4          2HG       GLN   4  -7.147  -3.328  -1.725
   44   2HG   GLN   4          1HG       GLN   4  -5.750  -4.232  -2.301
   45   1HE2  GLN   4          1HE2      GLN   4  -6.274  -5.933  -3.457
   46   2HE2  GLN   4          2HE2      GLN   4  -7.668  -6.930  -3.241
   47    H    TRP   5           H        TRP   5  -3.291  -1.448   0.114
   48    HA   TRP   5           HA       TRP   5  -1.977  -2.037  -2.274
   49   1HB   TRP   5          2HB       TRP   5  -0.120  -0.693  -1.340
   50   2HB   TRP   5          1HB       TRP   5  -1.687   0.078  -1.107
   51    HD1  TRP   5           HD       TRP   5  -2.793  -0.609   1.485
   52    HE1  TRP   5           1HE      TRP   5  -1.554  -0.443   3.735
   53    HE3  TRP   5           3HE      TRP   5   2.019  -0.708  -0.234
   54    HZ2  TRP   5           2HZ      TRP   5   1.118  -0.369   4.659
   55    HZ3  TRP   5           3HZ      TRP   5   3.859  -0.588   1.395
   56    HH2  TRP   5           HH       TRP   5   3.414  -0.422   3.790
   57    H    ARG   6           H        ARG   6   0.766  -2.180  -1.416
   58    HA   ARG   6           HA       ARG   6   1.084  -4.688  -0.001
   59   1HB   ARG   6          2HB       ARG   6   1.851  -4.418  -2.914
   60   2HB   ARG   6          1HB       ARG   6   2.396  -5.718  -1.865
   61   1HG   ARG   6          2HG       ARG   6   0.070  -6.422  -1.545
   62   2HG   ARG   6          1HG       ARG   6  -0.458  -5.133  -2.630
   63   1HD   ARG   6          2HD       ARG   6  -0.334  -7.277  -3.794
   64   2HD   ARG   6          1HD       ARG   6   0.828  -6.124  -4.449
   65    HE   ARG   6           HE       ARG   6   2.124  -7.629  -2.492
   66   1HH1  ARG   6          1HH1      ARG   6   0.672  -8.093  -5.625
   67   2HH1  ARG   6          2HH1      ARG   6   1.711  -9.411  -6.054
   68   1HH2  ARG   6          1HH2      ARG   6   3.498  -9.358  -3.050
   69   2HH2  ARG   6          2HH2      ARG   6   3.319 -10.128  -4.592
   70    H    MET   7           H        MET   7   2.763  -2.378  -2.139
   71    HA   MET   7           HA       MET   7   4.537  -1.481  -0.148
   72   1HB   MET   7          2HB       MET   7   6.636  -2.497  -0.988
   73   2HB   MET   7          1HB       MET   7   5.536  -3.679  -0.294
   74   1HG   MET   7          2HG       MET   7   4.807  -4.309  -2.550
   75   2HG   MET   7          1HG       MET   7   5.948  -3.148  -3.228
   76   1HE   MET   7          1HE       MET   7   8.403  -3.143  -2.727
   77   2HE   MET   7          2HE       MET   7   9.382  -4.586  -2.467
   78   3HE   MET   7          3HE       MET   7   8.610  -3.785  -1.099
   79    H    LYS   8           H        LYS   8   2.941  -0.274  -2.098
   80    HA   LYS   8           HA       LYS   8   4.700   0.618  -4.233
   81   1HB   LYS   8          2HB       LYS   8   1.857   1.391  -3.552
   82   2HB   LYS   8          1HB       LYS   8   2.737   1.931  -4.975
   83   1HG   LYS   8          2HG       LYS   8   2.048  -0.927  -4.327
   84   2HG   LYS   8          1HG       LYS   8   1.201   0.100  -5.483
   85   1HD   LYS   8          2HD       LYS   8   4.113  -0.678  -5.652
   86   2HD   LYS   8          1HD       LYS   8   2.806  -1.428  -6.570
   87   1HE   LYS   8          2HE       LYS   8   2.310   0.745  -7.605
   88   2HE   LYS   8          1HE       LYS   8   3.643   1.468  -6.705
   89   1HZ   LYS   8          1HZ       LYS   8   3.732   0.130  -9.165
   90   2HZ   LYS   8          2HZ       LYS   8   4.619  -0.782  -8.050
   91   3HZ   LYS   8          3HZ       LYS   8   5.009   0.843  -8.314
   92    H    LYS   9           H        LYS   9   3.021   1.972  -1.434
   93    HA   LYS   9           HA       LYS   9   4.065   4.600  -1.733
   94   1HB   LYS   9          2HB       LYS   9   3.220   4.962   0.552
   95   2HB   LYS   9          1HB       LYS   9   2.020   4.190  -0.477
   96   1HG   LYS   9          2HG       LYS   9   2.629   2.009   0.521
   97   2HG   LYS   9          1HG       LYS   9   3.728   2.854   1.613
   98   1HD   LYS   9          2HD       LYS   9   1.641   2.428   2.749
   99   2HD   LYS   9          1HD       LYS   9   1.809   4.162   2.468
  100   1HE   LYS   9          2HE       LYS   9   0.347   3.986   0.514
  101   2HE   LYS   9          1HE       LYS   9   0.180   2.253   0.793
  102   1HZ   LYS   9          1HZ       LYS   9  -0.983   2.642   2.796
  103   2HZ   LYS   9          2HZ       LYS   9  -1.676   3.677   1.651
  104   3HZ   LYS   9          3HZ       LYS   9  -0.599   4.290   2.800
  105    H    LEU  10           H        LEU  10   5.062   1.755   0.080
  106    HA   LEU  10           HA       LEU  10   7.054   2.891   1.667
  107   1HB   LEU  10          2HB       LEU  10   6.193   0.595   1.924
  108   2HB   LEU  10          1HB       LEU  10   6.993   0.135   0.433
  109    HG   LEU  10           HG       LEU  10   9.183   0.653   1.496
  110   1HD1  LEU  10          1HD1      LEU  10   8.299   2.251   3.171
  111   2HD1  LEU  10          2HD1      LEU  10   9.330   1.003   3.870
  112   3HD1  LEU  10          3HD1      LEU  10   7.577   0.894   4.035
  113   1HD2  LEU  10          1HD2      LEU  10   8.199  -1.258   3.422
  114   2HD2  LEU  10          2HD2      LEU  10   9.288  -1.496   2.055
  115   3HD2  LEU  10          3HD2      LEU  10   7.542  -1.571   1.815
  116    H    GLY  11           H        GLY  11   9.093   3.565   1.304
  117   1HA   GLY  11          2HA       GLY  11  10.827   2.676  -0.689
  118   2HA   GLY  11          1HA       GLY  11   9.972   4.067  -1.340
  Start of MODEL    9
    1   1H    ARG   1          1HT       ARG   1  -7.040   0.596   7.225
    2   2H    ARG   1          2HT       ARG   1  -6.527  -1.010   7.088
    3   3H    ARG   1          3HT       ARG   1  -7.959  -0.514   6.338
    4    HA   ARG   1           HA       ARG   1  -5.411   0.771   5.634
    5   1HB   ARG   1          2HB       ARG   1  -6.501  -1.783   4.433
    6   2HB   ARG   1          1HB       ARG   1  -5.083  -0.907   3.880
    7   1HG   ARG   1          2HG       ARG   1  -5.368  -2.209   6.581
    8   2HG   ARG   1          1HG       ARG   1  -4.527  -2.907   5.197
    9   1HD   ARG   1          2HD       ARG   1  -2.858  -1.944   6.562
   10   2HD   ARG   1          1HD       ARG   1  -3.070  -0.844   5.202
   11    HE   ARG   1           HE       ARG   1  -4.725  -0.016   7.312
   12   1HH1  ARG   1          1HH1      ARG   1  -1.343  -0.217   6.485
   13   2HH1  ARG   1          2HH1      ARG   1  -0.892   1.127   7.480
   14   1HH2  ARG   1          1HH2      ARG   1  -4.136   1.750   8.621
   15   2HH2  ARG   1          2HH2      ARG   1  -2.476   2.241   8.696
   16    H    ARG   2           H        ARG   2  -5.669   2.166   3.972
   17    HA   ARG   2           HA       ARG   2  -8.228   3.036   3.233
   18   1HB   ARG   2          2HB       ARG   2  -7.068   4.404   1.530
   19   2HB   ARG   2          1HB       ARG   2  -6.318   4.523   3.116
   20   1HG   ARG   2          2HG       ARG   2  -4.537   3.059   2.446
   21   2HG   ARG   2          1HG       ARG   2  -5.326   2.747   0.898
   22   1HD   ARG   2          2HD       ARG   2  -4.318   5.429   1.842
   23   2HD   ARG   2          1HD       ARG   2  -3.490   4.372   0.699
   24    HE   ARG   2           HE       ARG   2  -6.063   4.842  -0.272
   25   1HH1  ARG   2          1HH1      ARG   2  -3.126   6.613   0.350
   26   2HH1  ARG   2          2HH1      ARG   2  -3.409   7.774  -0.904
   27   1HH2  ARG   2          1HH2      ARG   2  -6.442   6.362  -1.923
   28   2HH2  ARG   2          2HH2      ARG   2  -5.293   7.629  -2.200
   29    H    TRP   3           H        TRP   3  -6.107   0.652   1.851
   30    HA   TRP   3           HA       TRP   3  -8.227  -0.295   0.145
   31   1HB   TRP   3          2HB       TRP   3  -6.817  -0.233  -1.929
   32   2HB   TRP   3          1HB       TRP   3  -7.327   1.348  -1.359
   33    HD1  TRP   3           HD       TRP   3  -4.508   0.284   0.747
   34    HE1  TRP   3           1HE      TRP   3  -2.310   1.325  -0.084
   35    HE3  TRP   3           3HE      TRP   3  -6.064   1.917  -3.841
   36    HZ2  TRP   3           2HZ      TRP   3  -1.368   2.636  -2.378
   37    HZ3  TRP   3           3HZ      TRP   3  -4.438   3.049  -5.298
   38    HH2  TRP   3           HH       TRP   3  -2.133   3.406  -4.578
   39    H    GLN   4           H        GLN   4  -5.730  -1.482  -1.438
   40    HA   GLN   4           HA       GLN   4  -4.840  -3.420   0.545
   41   1HB   GLN   4          2HB       GLN   4  -5.437  -5.314  -0.964
   42   2HB   GLN   4          1HB       GLN   4  -6.830  -4.473  -0.298
   43   1HG   GLN   4          2HG       GLN   4  -7.086  -3.247  -2.399
   44   2HG   GLN   4          1HG       GLN   4  -5.704  -4.113  -3.065
   45   1HE2  GLN   4          1HE2      GLN   4  -7.223  -6.257  -1.112
   46   2HE2  GLN   4          2HE2      GLN   4  -8.260  -7.020  -2.261
   47    H    TRP   5           H        TRP   5  -3.196  -1.591  -0.345
   48    HA   TRP   5           HA       TRP   5  -1.868  -2.003  -2.777
   49   1HB   TRP   5          2HB       TRP   5  -0.023  -0.713  -1.750
   50   2HB   TRP   5          1HB       TRP   5  -1.590   0.041  -1.489
   51    HD1  TRP   5           HD       TRP   5  -2.673  -1.107   1.080
   52    HE1  TRP   5           1HE      TRP   5  -1.445  -0.921   3.333
   53    HE3  TRP   5           3HE      TRP   5   2.073  -0.296  -0.644
   54    HZ2  TRP   5           2HZ      TRP   5   1.183  -0.484   4.257
   55    HZ3  TRP   5           3HZ      TRP   5   3.886  -0.003   0.994
   56    HH2  TRP   5           HH       TRP   5   3.448  -0.094   3.393
   57    H    ARG   6           H        ARG   6   0.881  -2.150  -1.644
   58    HA   ARG   6           HA       ARG   6   1.094  -4.854  -0.608
   59   1HB   ARG   6          2HB       ARG   6   2.140  -4.068  -3.330
   60   2HB   ARG   6          1HB       ARG   6   2.698  -5.487  -2.456
   61   1HG   ARG   6          2HG       ARG   6  -0.170  -5.005  -3.230
   62   2HG   ARG   6          1HG       ARG   6   0.974  -5.953  -4.183
   63   1HD   ARG   6          2HD       ARG   6   0.135  -6.525  -1.342
   64   2HD   ARG   6          1HD       ARG   6  -0.429  -7.382  -2.776
   65    HE   ARG   6           HE       ARG   6   2.366  -7.500  -2.721
   66   1HH1  ARG   6          1HH1      ARG   6  -0.372  -8.695  -0.928
   67   2HH1  ARG   6          2HH1      ARG   6   0.441 -10.126  -0.391
   68   1HH2  ARG   6          1HH2      ARG   6   3.445  -9.381  -2.019
   69   2HH2  ARG   6          2HH2      ARG   6   2.612 -10.516  -1.011
   70    H    MET   7           H        MET   7   3.115  -2.392  -2.230
   71    HA   MET   7           HA       MET   7   4.513  -1.642   0.086
   72   1HB   MET   7          2HB       MET   7   6.705  -2.675  -0.394
   73   2HB   MET   7          1HB       MET   7   5.477  -3.864   0.014
   74   1HG   MET   7          2HG       MET   7   5.187  -4.357  -2.372
   75   2HG   MET   7          1HG       MET   7   6.457  -3.195  -2.753
   76   1HE   MET   7          1HE       MET   7   8.412  -3.244  -0.935
   77   2HE   MET   7          2HE       MET   7   9.459  -4.130  -2.044
   78   3HE   MET   7          3HE       MET   7   9.214  -4.722  -0.402
   79    H    LYS   8           H        LYS   8   3.306  -0.521  -2.301
   80    HA   LYS   8           HA       LYS   8   5.496   0.538  -3.878
   81   1HB   LYS   8          2HB       LYS   8   3.750   1.747  -5.108
   82   2HB   LYS   8          1HB       LYS   8   3.372   0.035  -4.983
   83   1HG   LYS   8          2HG       LYS   8   1.777   0.477  -3.223
   84   2HG   LYS   8          1HG       LYS   8   2.209   2.187  -3.227
   85   1HD   LYS   8          2HD       LYS   8   0.992   0.681  -5.543
   86   2HD   LYS   8          1HD       LYS   8   0.119   1.755  -4.448
   87   1HE   LYS   8          2HE       LYS   8   2.389   2.537  -6.277
   88   2HE   LYS   8          1HE       LYS   8   0.681   2.898  -6.528
   89   1HZ   LYS   8          1HZ       LYS   8   1.627   4.824  -5.606
   90   2HZ   LYS   8          2HZ       LYS   8   2.479   3.961  -4.427
   91   3HZ   LYS   8          3HZ       LYS   8   0.795   4.095  -4.325
   92    H    LYS   9           H        LYS   9   3.240   1.615  -1.408
   93    HA   LYS   9           HA       LYS   9   3.804   4.345  -1.410
   94   1HB   LYS   9          2HB       LYS   9   3.090   2.596   0.952
   95   2HB   LYS   9          1HB       LYS   9   2.942   4.348   0.888
   96   1HG   LYS   9          2HG       LYS   9   1.256   4.183  -0.833
   97   2HG   LYS   9          1HG       LYS   9   1.454   2.430  -0.895
   98   1HD   LYS   9          2HD       LYS   9  -0.513   2.984   0.400
   99   2HD   LYS   9          1HD       LYS   9   0.721   2.298   1.460
  100   1HE   LYS   9          2HE       LYS   9  -0.354   4.221   2.500
  101   2HE   LYS   9          1HE       LYS   9   1.351   4.545   2.186
  102   1HZ   LYS   9          1HZ       LYS   9   0.397   6.452   1.409
  103   2HZ   LYS   9          2HZ       LYS   9  -1.025   5.690   0.902
  104   3HZ   LYS   9          3HZ       LYS   9   0.387   5.538  -0.015
  105    H    LEU  10           H        LEU  10   5.421   1.665   0.210
  106    HA   LEU  10           HA       LEU  10   7.172   3.130   1.823
  107   1HB   LEU  10          2HB       LEU  10   6.847   0.732   2.081
  108   2HB   LEU  10          1HB       LEU  10   7.563   0.441   0.508
  109    HG   LEU  10           HG       LEU  10   9.721   1.309   1.352
  110   1HD1  LEU  10          1HD1      LEU  10   9.780   2.536   3.193
  111   2HD1  LEU  10          2HD1      LEU  10   9.329   1.112   4.130
  112   3HD1  LEU  10          3HD1      LEU  10   8.080   2.193   3.513
  113   1HD2  LEU  10          1HD2      LEU  10   9.110  -0.737   3.358
  114   2HD2  LEU  10          2HD2      LEU  10  10.305  -0.737   2.061
  115   3HD2  LEU  10          3HD2      LEU  10   8.626  -1.154   1.715
  116    H    GLY  11           H        GLY  11   7.565   1.954  -1.506
  117   1HA   GLY  11          2HA       GLY  11  10.212   2.854  -1.865
  118   2HA   GLY  11          1HA       GLY  11   9.060   2.529  -3.152
  Start of MODEL   10
    1   1H    ARG   1          1HT       ARG   1  -5.389   3.942   6.165
    2   2H    ARG   1          2HT       ARG   1  -4.456   2.646   6.720
    3   3H    ARG   1          3HT       ARG   1  -6.144   2.532   6.720
    4    HA   ARG   1           HA       ARG   1  -4.588   2.920   4.237
    5   1HB   ARG   1          2HB       ARG   1  -5.490   0.329   5.514
    6   2HB   ARG   1          1HB       ARG   1  -4.774   0.478   3.916
    7   1HG   ARG   1          2HG       ARG   1  -2.697   1.255   4.891
    8   2HG   ARG   1          1HG       ARG   1  -3.413   1.195   6.503
    9   1HD   ARG   1          2HD       ARG   1  -3.003  -1.154   4.654
   10   2HD   ARG   1          1HD       ARG   1  -2.023  -0.770   6.070
   11    HE   ARG   1           HE       ARG   1  -4.680  -0.977   6.896
   12   1HH1  ARG   1          1HH1      ARG   1  -2.168  -3.005   5.584
   13   2HH1  ARG   1          2HH1      ARG   1  -2.752  -4.444   6.350
   14   1HH2  ARG   1          1HH2      ARG   1  -5.456  -2.864   7.909
   15   2HH2  ARG   1          2HH2      ARG   1  -4.623  -4.364   7.672
   16    H    ARG   2           H        ARG   2  -5.911   3.337   2.576
   17    HA   ARG   2           HA       ARG   2  -8.774   2.830   2.941
   18   1HB   ARG   2          2HB       ARG   2  -8.969   4.504   0.996
   19   2HB   ARG   2          1HB       ARG   2  -8.563   5.112   2.593
   20   1HG   ARG   2          2HG       ARG   2  -7.229   6.169   0.847
   21   2HG   ARG   2          1HG       ARG   2  -6.224   5.258   1.975
   22   1HD   ARG   2          2HD       ARG   2  -6.046   3.435   0.402
   23   2HD   ARG   2          1HD       ARG   2  -7.160   4.238  -0.702
   24    HE   ARG   2           HE       ARG   2  -5.369   5.332  -1.527
   25   1HH1  ARG   2          1HH1      ARG   2  -4.677   4.560   1.797
   26   2HH1  ARG   2          2HH1      ARG   2  -3.100   5.276   1.769
   27   1HH2  ARG   2          1HH2      ARG   2  -3.294   6.275  -1.576
   28   2HH2  ARG   2          2HH2      ARG   2  -2.314   6.252  -0.147
   29    H    TRP   3           H        TRP   3  -6.890   0.802   2.084
   30    HA   TRP   3           HA       TRP   3  -8.381  -0.352   0.011
   31   1HB   TRP   3          2HB       TRP   3  -6.628  -0.356  -1.784
   32   2HB   TRP   3          1HB       TRP   3  -7.360   1.215  -1.495
   33    HD1  TRP   3           HD       TRP   3  -4.892   0.650   1.172
   34    HE1  TRP   3           1HE      TRP   3  -2.669   1.817   0.613
   35    HE3  TRP   3           3HE      TRP   3  -5.728   1.668  -3.767
   36    HZ2  TRP   3           2HZ      TRP   3  -1.442   2.991  -1.620
   37    HZ3  TRP   3           3HZ      TRP   3  -3.967   2.816  -5.046
   38    HH2  TRP   3           HH       TRP   3  -1.863   3.467  -3.992
   39    H    GLN   4           H        GLN   4  -5.780  -1.598  -1.092
   40    HA   GLN   4           HA       GLN   4  -4.874  -3.124   1.217
   41   1HB   GLN   4          2HB       GLN   4  -6.092  -4.453  -1.211
   42   2HB   GLN   4          1HB       GLN   4  -5.366  -5.274   0.165
   43   1HG   GLN   4          2HG       GLN   4  -7.097  -4.339   1.618
   44   2HG   GLN   4          1HG       GLN   4  -7.834  -3.559   0.223
   45   1HE2  GLN   4          1HE2      GLN   4  -8.113  -6.103   2.214
   46   2HE2  GLN   4          2HE2      GLN   4  -8.907  -7.230   1.173
   47    H    TRP   5           H        TRP   5  -3.184  -1.496   0.223
   48    HA   TRP   5           HA       TRP   5  -1.808  -2.188  -2.132
   49   1HB   TRP   5          2HB       TRP   5   0.006  -0.753  -1.231
   50   2HB   TRP   5          1HB       TRP   5  -1.577   0.012  -1.147
   51    HD1  TRP   5           HD       TRP   5  -2.795  -0.435   1.460
   52    HE1  TRP   5           1HE      TRP   5  -1.649  -0.024   3.730
   53    HE3  TRP   5           3HE      TRP   5   2.093  -0.613  -0.042
   54    HZ2  TRP   5           2HZ      TRP   5   0.973   0.199   4.747
   55    HZ3  TRP   5           3HZ      TRP   5   3.857  -0.288   1.642
   56    HH2  TRP   5           HH       TRP   5   3.306   0.111   3.987
   57    H    ARG   6           H        ARG   6   0.908  -2.127  -0.717
   58    HA   ARG   6           HA       ARG   6   1.145  -4.566   0.719
   59   1HB   ARG   6          2HB       ARG   6   2.444  -5.806  -1.024
   60   2HB   ARG   6          1HB       ARG   6   0.731  -5.639  -1.379
   61   1HG   ARG   6          2HG       ARG   6   1.209  -3.828  -2.927
   62   2HG   ARG   6          1HG       ARG   6   2.928  -3.943  -2.548
   63   1HD   ARG   6          2HD       ARG   6   1.250  -6.131  -3.772
   64   2HD   ARG   6          1HD       ARG   6   2.360  -5.082  -4.652
   65    HE   ARG   6           HE       ARG   6   3.773  -6.325  -2.582
   66   1HH1  ARG   6          1HH1      ARG   6   2.175  -7.146  -5.567
   67   2HH1  ARG   6          2HH1      ARG   6   3.203  -8.501  -5.894
   68   1HH2  ARG   6          1HH2      ARG   6   5.133  -8.108  -3.007
   69   2HH2  ARG   6          2HH2      ARG   6   4.885  -9.046  -4.441
   70    H    MET   7           H        MET   7   2.936  -2.482  -1.559
   71    HA   MET   7           HA       MET   7   4.706  -1.525   0.418
   72   1HB   MET   7          2HB       MET   7   6.787  -2.612  -0.326
   73   2HB   MET   7          1HB       MET   7   5.646  -3.768   0.350
   74   1HG   MET   7          2HG       MET   7   4.998  -4.449  -1.902
   75   2HG   MET   7          1HG       MET   7   6.134  -3.286  -2.582
   76   1HE   MET   7          1HE       MET   7   8.366  -3.111  -1.265
   77   2HE   MET   7          2HE       MET   7   9.319  -4.181  -2.293
   78   3HE   MET   7          3HE       MET   7   9.237  -4.470  -0.554
   79    H    LYS   8           H        LYS   8   3.098  -0.554  -1.751
   80    HA   LYS   8           HA       LYS   8   4.899   0.302  -3.839
   81   1HB   LYS   8          2HB       LYS   8   2.542  -0.148  -4.351
   82   2HB   LYS   8          1HB       LYS   8   2.048   1.108  -3.225
   83   1HG   LYS   8          2HG       LYS   8   3.120   2.796  -4.613
   84   2HG   LYS   8          1HG       LYS   8   3.655   1.541  -5.734
   85   1HD   LYS   8          2HD       LYS   8   1.318   0.966  -6.197
   86   2HD   LYS   8          1HD       LYS   8   0.788   2.224  -5.079
   87   1HE   LYS   8          2HE       LYS   8   0.659   3.001  -7.382
   88   2HE   LYS   8          1HE       LYS   8   1.863   3.918  -6.477
   89   1HZ   LYS   8          1HZ       LYS   8   2.486   1.638  -8.276
   90   2HZ   LYS   8          2HZ       LYS   8   3.604   2.631  -7.485
   91   3HZ   LYS   8          3HZ       LYS   8   2.623   3.269  -8.708
   92    H    LYS   9           H        LYS   9   3.369   1.629  -0.976
   93    HA   LYS   9           HA       LYS   9   4.104   4.322  -1.323
   94   1HB   LYS   9          2HB       LYS   9   3.752   2.869   1.302
   95   2HB   LYS   9          1HB       LYS   9   3.586   4.596   1.018
   96   1HG   LYS   9          2HG       LYS   9   1.635   4.177  -0.395
   97   2HG   LYS   9          1HG       LYS   9   1.801   2.445  -0.099
   98   1HD   LYS   9          2HD       LYS   9   1.512   2.873   2.322
   99   2HD   LYS   9          1HD       LYS   9   1.239   4.579   1.958
  100   1HE   LYS   9          2HE       LYS   9  -0.430   2.260   0.995
  101   2HE   LYS   9          1HE       LYS   9  -0.873   3.407   2.259
  102   1HZ   LYS   9          1HZ       LYS   9  -0.455   4.019  -0.616
  103   2HZ   LYS   9          2HZ       LYS   9  -0.748   5.182   0.576
  104   3HZ   LYS   9          3HZ       LYS   9  -1.930   4.026   0.214
  105    H    LEU  10           H        LEU  10   5.677   1.659   0.394
  106    HA   LEU  10           HA       LEU  10   7.852   3.104   1.424
  107   1HB   LEU  10          2HB       LEU  10   7.989   0.222   0.571
  108   2HB   LEU  10          1HB       LEU  10   8.858   1.008   1.877
  109    HG   LEU  10           HG       LEU  10   5.908   0.387   1.812
  110   1HD1  LEU  10          1HD1      LEU  10   7.867  -1.366   2.282
  111   2HD1  LEU  10          2HD1      LEU  10   6.315  -1.414   3.117
  112   3HD1  LEU  10          3HD1      LEU  10   7.713  -0.674   3.896
  113   1HD2  LEU  10          1HD2      LEU  10   7.456   2.248   3.429
  114   2HD2  LEU  10          2HD2      LEU  10   6.579   1.062   4.395
  115   3HD2  LEU  10          3HD2      LEU  10   5.710   2.084   3.249
  116    H    GLY  11           H        GLY  11   7.518   1.214  -1.557
  117   1HA   GLY  11          2HA       GLY  11  10.132   1.583  -2.509
  118   2HA   GLY  11          1HA       GLY  11   8.731   1.194  -3.494
  Start of MODEL   11
    1   1H    ARG   1          1HT       ARG   1  -7.627  -0.582   5.539
    2   2H    ARG   1          2HT       ARG   1  -9.064   0.287   5.734
    3   3H    ARG   1          3HT       ARG   1  -8.115  -0.088   7.082
    4    HA   ARG   1           HA       ARG   1  -7.586   2.100   6.737
    5   1HB   ARG   1          2HB       ARG   1  -5.588   0.552   5.063
    6   2HB   ARG   1          1HB       ARG   1  -5.294   2.085   5.869
    7   1HG   ARG   1          2HG       ARG   1  -4.280   0.472   7.216
    8   2HG   ARG   1          1HG       ARG   1  -5.781   0.889   8.042
    9   1HD   ARG   1          2HD       ARG   1  -6.842  -1.114   7.116
   10   2HD   ARG   1          1HD       ARG   1  -5.342  -1.526   6.287
   11    HE   ARG   1           HE       ARG   1  -5.982  -2.124   8.957
   12   1HH1  ARG   1          1HH1      ARG   1  -3.316  -0.979   7.022
   13   2HH1  ARG   1          2HH1      ARG   1  -2.106  -1.589   8.101
   14   1HH2  ARG   1          1HH2      ARG   1  -4.397  -2.927  10.379
   15   2HH2  ARG   1          2HH2      ARG   1  -2.721  -2.697  10.008
   16    H    ARG   2           H        ARG   2  -5.851   2.566   4.137
   17    HA   ARG   2           HA       ARG   2  -7.890   4.005   2.751
   18   1HB   ARG   2          2HB       ARG   2  -5.439   4.660   2.996
   19   2HB   ARG   2          1HB       ARG   2  -5.088   3.449   1.775
   20   1HG   ARG   2          2HG       ARG   2  -6.997   5.724   1.313
   21   2HG   ARG   2          1HG       ARG   2  -5.271   5.831   0.974
   22   1HD   ARG   2          2HD       ARG   2  -5.472   3.928  -0.569
   23   2HD   ARG   2          1HD       ARG   2  -7.203   3.858  -0.242
   24    HE   ARG   2           HE       ARG   2  -5.931   5.548  -2.092
   25   1HH1  ARG   2          1HH1      ARG   2  -8.433   5.629   0.337
   26   2HH1  ARG   2          2HH1      ARG   2  -9.309   6.914  -0.428
   27   1HH2  ARG   2          1HH2      ARG   2  -7.078   7.237  -3.100
   28   2HH2  ARG   2          2HH2      ARG   2  -8.539   7.826  -2.380
   29    H    TRP   3           H        TRP   3  -6.022   1.068   2.123
   30    HA   TRP   3           HA       TRP   3  -8.087  -0.027   0.492
   31   1HB   TRP   3          2HB       TRP   3  -6.683  -0.221  -1.589
   32   2HB   TRP   3          1HB       TRP   3  -7.230   1.409  -1.226
   33    HD1  TRP   3           HD       TRP   3  -4.404   0.729   1.009
   34    HE1  TRP   3           1HE      TRP   3  -2.223   1.690   0.044
   35    HE3  TRP   3           3HE      TRP   3  -5.959   1.629  -3.777
   36    HZ2  TRP   3           2HZ      TRP   3  -1.293   2.674  -2.413
   37    HZ3  TRP   3           3HZ      TRP   3  -4.349   2.578  -5.377
   38    HH2  TRP   3           HH       TRP   3  -2.059   3.095  -4.706
   39    H    GLN   4           H        GLN   4  -5.815  -1.489  -1.038
   40    HA   GLN   4           HA       GLN   4  -4.857  -3.185   1.155
   41   1HB   GLN   4          2HB       GLN   4  -6.113  -4.205  -1.400
   42   2HB   GLN   4          1HB       GLN   4  -5.431  -5.196  -0.116
   43   1HG   GLN   4          2HG       GLN   4  -7.128  -4.386   1.426
   44   2HG   GLN   4          1HG       GLN   4  -7.802  -3.366   0.159
   45   1HE2  GLN   4          1HE2      GLN   4  -8.207  -6.182   1.752
   46   2HE2  GLN   4          2HE2      GLN   4  -9.090  -7.076   0.567
   47    H    TRP   5           H        TRP   5  -3.183  -1.421   0.199
   48    HA   TRP   5           HA       TRP   5  -1.764  -2.047  -2.151
   49   1HB   TRP   5          2HB       TRP   5  -0.023  -0.575  -1.233
   50   2HB   TRP   5          1HB       TRP   5  -1.622   0.131  -1.023
   51    HD1  TRP   5           HD       TRP   5  -2.706  -0.461   1.589
   52    HE1  TRP   5           1HE      TRP   5  -1.467  -0.231   3.835
   53    HE3  TRP   5           3HE      TRP   5   2.110  -0.551  -0.125
   54    HZ2  TRP   5           2HZ      TRP   5   1.201  -0.104   4.754
   55    HZ3  TRP   5           3HZ      TRP   5   3.946  -0.369   1.502
   56    HH2  TRP   5           HH       TRP   5   3.499  -0.148   3.890
   57    H    ARG   6           H        ARG   6   0.928  -1.998  -0.820
   58    HA   ARG   6           HA       ARG   6   1.255  -4.347   0.712
   59   1HB   ARG   6          2HB       ARG   6   2.467  -5.699  -1.003
   60   2HB   ARG   6          1HB       ARG   6   0.736  -5.572  -1.274
   61   1HG   ARG   6          2HG       ARG   6   1.103  -3.910  -2.998
   62   2HG   ARG   6          1HG       ARG   6   2.841  -3.946  -2.688
   63   1HD   ARG   6          2HD       ARG   6   2.908  -6.301  -3.342
   64   2HD   ARG   6          1HD       ARG   6   1.172  -6.271  -3.644
   65    HE   ARG   6           HE       ARG   6   2.337  -4.261  -5.184
   66   1HH1  ARG   6          1HH1      ARG   6   2.368  -7.740  -4.955
   67   2HH1  ARG   6          2HH1      ARG   6   2.678  -7.976  -6.643
   68   1HH2  ARG   6          1HH2      ARG   6   2.744  -4.564  -7.408
   69   2HH2  ARG   6          2HH2      ARG   6   2.893  -6.171  -8.037
   70    H    MET   7           H        MET   7   2.876  -2.376  -1.774
   71    HA   MET   7           HA       MET   7   4.740  -1.282   0.027
   72   1HB   MET   7          2HB       MET   7   6.795  -2.403  -0.721
   73   2HB   MET   7          1HB       MET   7   5.693  -3.527   0.061
   74   1HG   MET   7          2HG       MET   7   4.985  -4.376  -2.094
   75   2HG   MET   7          1HG       MET   7   6.022  -3.210  -2.914
   76   1HE   MET   7          1HE       MET   7   7.978  -5.656  -4.130
   77   2HE   MET   7          2HE       MET   7   6.229  -5.446  -4.041
   78   3HE   MET   7          3HE       MET   7   6.980  -6.888  -3.358
   79    H    LYS   8           H        LYS   8   3.073  -0.285  -1.998
   80    HA   LYS   8           HA       LYS   8   4.803   0.346  -4.253
   81   1HB   LYS   8          2HB       LYS   8   1.937   1.100  -3.665
   82   2HB   LYS   8          1HB       LYS   8   2.805   1.558  -5.124
   83   1HG   LYS   8          2HG       LYS   8   2.212  -1.261  -4.244
   84   2HG   LYS   8          1HG       LYS   8   1.356  -0.366  -5.500
   85   1HD   LYS   8          2HD       LYS   8   4.291  -1.075  -5.545
   86   2HD   LYS   8          1HD       LYS   8   3.022  -1.919  -6.434
   87   1HE   LYS   8          2HE       LYS   8   2.522   0.123  -7.675
   88   2HE   LYS   8          1HE       LYS   8   3.764   0.987  -6.770
   89   1HZ   LYS   8          1HZ       LYS   8   5.455  -0.286  -7.770
   90   2HZ   LYS   8          2HZ       LYS   8   4.425   0.161  -9.034
   91   3HZ   LYS   8          3HZ       LYS   8   4.361  -1.409  -8.408
   92    H    LYS   9           H        LYS   9   3.090   2.044  -1.651
   93    HA   LYS   9           HA       LYS   9   4.111   4.608  -2.326
   94   1HB   LYS   9          2HB       LYS   9   3.243   5.336  -0.169
   95   2HB   LYS   9          1HB       LYS   9   2.065   4.332  -1.000
   96   1HG   LYS   9          2HG       LYS   9   2.620   2.449   0.408
   97   2HG   LYS   9          1HG       LYS   9   3.896   3.384   1.194
   98   1HD   LYS   9          2HD       LYS   9   2.191   4.986   1.984
   99   2HD   LYS   9          1HD       LYS   9   0.938   3.975   1.261
  100   1HE   LYS   9          2HE       LYS   9   1.147   3.557   3.659
  101   2HE   LYS   9          1HE       LYS   9   1.569   2.128   2.717
  102   1HZ   LYS   9          1HZ       LYS   9   3.104   3.392   4.649
  103   2HZ   LYS   9          2HZ       LYS   9   3.875   3.695   3.174
  104   3HZ   LYS   9          3HZ       LYS   9   3.564   2.103   3.652
  105    H    LEU  10           H        LEU  10   5.193   2.049  -0.177
  106    HA   LEU  10           HA       LEU  10   7.125   3.403   1.285
  107   1HB   LEU  10          2HB       LEU  10   6.448   1.117   1.780
  108   2HB   LEU  10          1HB       LEU  10   7.158   0.557   0.278
  109    HG   LEU  10           HG       LEU  10   9.395   1.201   1.120
  110   1HD1  LEU  10          1HD1      LEU  10   9.084   1.385   3.846
  111   2HD1  LEU  10          2HD1      LEU  10   7.783   2.399   3.222
  112   3HD1  LEU  10          3HD1      LEU  10   9.452   2.717   2.751
  113   1HD2  LEU  10          1HD2      LEU  10   9.125  -0.491   3.222
  114   2HD2  LEU  10          2HD2      LEU  10   9.254  -1.000   1.538
  115   3HD2  LEU  10          3HD2      LEU  10   7.669  -0.859   2.297
  116    H    GLY  11           H        GLY  11   9.107   4.176   0.879
  117   1HA   GLY  11          2HA       GLY  11  10.888   3.235  -1.073
  118   2HA   GLY  11          1HA       GLY  11   9.992   4.582  -1.761
  Start of MODEL   12
    1   1H    ARG   1          1HT       ARG   1  -6.341   1.525   8.184
    2   2H    ARG   1          2HT       ARG   1  -7.295   0.355   7.422
    3   3H    ARG   1          3HT       ARG   1  -7.613   1.996   7.173
    4    HA   ARG   1           HA       ARG   1  -5.041   1.835   6.424
    5   1HB   ARG   1          2HB       ARG   1  -6.467  -0.694   5.572
    6   2HB   ARG   1          1HB       ARG   1  -4.912  -0.154   4.956
    7   1HG   ARG   1          2HG       ARG   1  -3.968  -0.338   7.212
    8   2HG   ARG   1          1HG       ARG   1  -5.526  -0.919   7.802
    9   1HD   ARG   1          2HD       ARG   1  -5.378  -2.826   6.258
   10   2HD   ARG   1          1HD       ARG   1  -3.803  -2.250   5.714
   11    HE   ARG   1           HE       ARG   1  -4.303  -3.811   7.998
   12   1HH1  ARG   1          1HH1      ARG   1  -2.390  -1.082   6.969
   13   2HH1  ARG   1          2HH1      ARG   1  -1.144  -1.353   8.142
   14   1HH2  ARG   1          1HH2      ARG   1  -2.665  -4.172   9.538
   15   2HH2  ARG   1          2HH2      ARG   1  -1.299  -3.108   9.599
   16    H    ARG   2           H        ARG   2  -4.823   2.819   4.467
   17    HA   ARG   2           HA       ARG   2  -6.954   4.178   3.335
   18   1HB   ARG   2          2HB       ARG   2  -4.646   4.866   2.999
   19   2HB   ARG   2          1HB       ARG   2  -4.314   3.403   2.080
   20   1HG   ARG   2          2HG       ARG   2  -5.916   4.143   0.365
   21   2HG   ARG   2          1HG       ARG   2  -6.171   5.633   1.276
   22   1HD   ARG   2          2HD       ARG   2  -3.832   6.226   1.009
   23   2HD   ARG   2          1HD       ARG   2  -3.521   4.704   0.175
   24    HE   ARG   2           HE       ARG   2  -5.543   6.053  -1.202
   25   1HH1  ARG   2          1HH1      ARG   2  -2.154   6.413  -0.473
   26   2HH1  ARG   2          2HH1      ARG   2  -1.801   7.282  -1.930
   27   1HH2  ARG   2          1HH2      ARG   2  -5.086   7.195  -3.124
   28   2HH2  ARG   2          2HH2      ARG   2  -3.468   7.727  -3.436
   29    H    TRP   3           H        TRP   3  -5.537   1.081   2.421
   30    HA   TRP   3           HA       TRP   3  -7.936   0.162   1.232
   31   1HB   TRP   3          2HB       TRP   3  -7.040  -0.082  -1.106
   32   2HB   TRP   3          1HB       TRP   3  -7.391   1.572  -0.628
   33    HD1  TRP   3           HD       TRP   3  -4.210   0.833   0.962
   34    HE1  TRP   3           1HE      TRP   3  -2.233   1.619  -0.482
   35    HE3  TRP   3           3HE      TRP   3  -6.672   1.562  -3.456
   36    HZ2  TRP   3           2HZ      TRP   3  -1.785   2.421  -3.135
   37    HZ3  TRP   3           3HZ      TRP   3  -5.387   2.335  -5.405
   38    HH2  TRP   3           HH       TRP   3  -2.988   2.759  -5.247
   39    H    GLN   4           H        GLN   4  -6.038  -1.362  -0.756
   40    HA   GLN   4           HA       GLN   4  -4.853  -3.189   1.213
   41   1HB   GLN   4          2HB       GLN   4  -6.499  -4.020  -1.186
   42   2HB   GLN   4          1HB       GLN   4  -5.668  -5.111  -0.086
   43   1HG   GLN   4          2HG       GLN   4  -7.081  -4.320   1.750
   44   2HG   GLN   4          1HG       GLN   4  -7.925  -3.255   0.631
   45   1HE2  GLN   4          1HE2      GLN   4  -7.158  -5.959  -1.076
   46   2HE2  GLN   4          2HE2      GLN   4  -8.614  -6.860  -0.855
   47    H    TRP   5           H        TRP   5  -3.226  -1.463   0.146
   48    HA   TRP   5           HA       TRP   5  -2.170  -2.022  -2.403
   49   1HB   TRP   5          2HB       TRP   5  -0.209  -0.713  -1.633
   50   2HB   TRP   5          1HB       TRP   5  -1.735   0.092  -1.294
   51    HD1  TRP   5           HD       TRP   5  -2.634  -0.508   1.410
   52    HE1  TRP   5           1HE      TRP   5  -1.200  -0.321   3.538
   53    HE3  TRP   5           3HE      TRP   5   2.008  -0.732  -0.714
   54    HZ2  TRP   5           2HZ      TRP   5   1.538  -0.269   4.226
   55    HZ3  TRP   5           3HZ      TRP   5   3.983  -0.602   0.744
   56    HH2  TRP   5           HH       TRP   5   3.753  -0.375   3.164
   57    H    ARG   6           H        ARG   6   0.689  -2.157  -1.325
   58    HA   ARG   6           HA       ARG   6   0.920  -4.762  -0.161
   59   1HB   ARG   6          2HB       ARG   6   2.246  -5.628  -2.189
   60   2HB   ARG   6          1HB       ARG   6   0.490  -5.644  -2.278
   61   1HG   ARG   6          2HG       ARG   6   0.534  -3.583  -3.588
   62   2HG   ARG   6          1HG       ARG   6   2.297  -3.566  -3.497
   63   1HD   ARG   6          2HD       ARG   6   0.620  -5.735  -4.753
   64   2HD   ARG   6          1HD       ARG   6   1.493  -4.478  -5.628
   65    HE   ARG   6           HE       ARG   6   2.572  -6.887  -4.614
   66   1HH1  ARG   6          1HH1      ARG   6   3.335  -3.519  -5.071
   67   2HH1  ARG   6          2HH1      ARG   6   5.045  -3.785  -5.147
   68   1HH2  ARG   6          1HH2      ARG   6   4.823  -7.245  -4.716
   69   2HH2  ARG   6          2HH2      ARG   6   5.890  -5.900  -4.947
   70    H    MET   7           H        MET   7   2.913  -2.792  -2.397
   71    HA   MET   7           HA       MET   7   4.690  -2.023  -0.262
   72   1HB   MET   7          2HB       MET   7   5.655  -3.883  -2.444
   73   2HB   MET   7          1HB       MET   7   6.718  -2.979  -1.378
   74   1HG   MET   7          2HG       MET   7   5.813  -4.168   0.546
   75   2HG   MET   7          1HG       MET   7   4.730  -5.065  -0.514
   76   1HE   MET   7          1HE       MET   7   7.526  -7.509   0.880
   77   2HE   MET   7          2HE       MET   7   5.860  -7.657   0.316
   78   3HE   MET   7          3HE       MET   7   6.286  -6.414   1.492
   79    H    LYS   8           H        LYS   8   2.998  -0.839  -2.412
   80    HA   LYS   8           HA       LYS   8   4.955   0.440  -4.147
   81   1HB   LYS   8          2HB       LYS   8   1.950   0.748  -4.012
   82   2HB   LYS   8          1HB       LYS   8   2.994   1.480  -5.223
   83   1HG   LYS   8          2HG       LYS   8   3.658  -0.749  -5.989
   84   2HG   LYS   8          1HG       LYS   8   2.587  -1.471  -4.790
   85   1HD   LYS   8          2HD       LYS   8   1.418  -1.493  -6.857
   86   2HD   LYS   8          1HD       LYS   8   0.695  -0.219  -5.877
   87   1HE   LYS   8          2HE       LYS   8   2.791   0.235  -7.998
   88   2HE   LYS   8          1HE       LYS   8   1.057   0.412  -8.258
   89   1HZ   LYS   8          1HZ       LYS   8   2.907   2.135  -6.802
   90   2HZ   LYS   8          2HZ       LYS   8   1.352   1.979  -6.158
   91   3HZ   LYS   8          3HZ       LYS   8   1.557   2.543  -7.739
   92    H    LYS   9           H        LYS   9   2.645   1.299  -1.609
   93    HA   LYS   9           HA       LYS   9   3.069   4.068  -1.622
   94   1HB   LYS   9          2HB       LYS   9   2.259   2.238   0.643
   95   2HB   LYS   9          1HB       LYS   9   2.195   3.992   0.719
   96   1HG   LYS   9          2HG       LYS   9   0.581   4.029  -1.101
   97   2HG   LYS   9          1HG       LYS   9   0.664   2.271  -1.223
   98   1HD   LYS   9          2HD       LYS   9  -1.309   2.955   0.032
   99   2HD   LYS   9          1HD       LYS   9  -0.184   2.079   1.070
  100   1HE   LYS   9          2HE       LYS   9  -1.102   4.029   2.215
  101   2HE   LYS   9          1HE       LYS   9   0.637   4.194   1.974
  102   1HZ   LYS   9          1HZ       LYS   9   0.067   5.528  -0.059
  103   2HZ   LYS   9          2HZ       LYS   9  -0.326   6.257   1.417
  104   3HZ   LYS   9          3HZ       LYS   9  -1.537   5.541   0.479
  105    H    LEU  10           H        LEU  10   4.749   1.471   0.071
  106    HA   LEU  10           HA       LEU  10   6.328   2.982   1.791
  107   1HB   LEU  10          2HB       LEU  10   6.154   0.533   1.874
  108   2HB   LEU  10          1HB       LEU  10   7.049   0.417   0.370
  109    HG   LEU  10           HG       LEU  10   9.017   1.423   1.491
  110   1HD1  LEU  10          1HD1      LEU  10   7.842   2.682   3.219
  111   2HD1  LEU  10          2HD1      LEU  10   9.047   1.604   3.923
  112   3HD1  LEU  10          3HD1      LEU  10   7.338   1.175   3.983
  113   1HD2  LEU  10          1HD2      LEU  10   8.409  -1.100   1.401
  114   2HD2  LEU  10          2HD2      LEU  10   8.153  -0.918   3.136
  115   3HD2  LEU  10          3HD2      LEU  10   9.732  -0.560   2.435
  116    H    GLY  11           H        GLY  11   8.074   4.244   1.555
  117   1HA   GLY  11          2HA       GLY  11  10.026   4.021  -0.441
  118   2HA   GLY  11          1HA       GLY  11   8.841   5.201  -0.980
  Start of MODEL   13
    1   1H    ARG   1          1HT       ARG   1  -3.022   4.361   5.994
    2   2H    ARG   1          2HT       ARG   1  -3.772   3.492   7.236
    3   3H    ARG   1          3HT       ARG   1  -4.642   4.663   6.380
    4    HA   ARG   1           HA       ARG   1  -3.664   2.917   4.481
    5   1HB   ARG   1          2HB       ARG   1  -3.252   1.354   6.333
    6   2HB   ARG   1          1HB       ARG   1  -4.931   1.501   6.837
    7   1HG   ARG   1          2HG       ARG   1  -5.668   0.491   4.759
    8   2HG   ARG   1          1HG       ARG   1  -4.000   0.399   4.192
    9   1HD   ARG   1          2HD       ARG   1  -3.450  -1.099   6.040
   10   2HD   ARG   1          1HD       ARG   1  -5.110  -0.997   6.626
   11    HE   ARG   1           HE       ARG   1  -5.176  -1.859   3.969
   12   1HH1  ARG   1          1HH1      ARG   1  -4.092  -2.992   7.082
   13   2HH1  ARG   1          2HH1      ARG   1  -4.324  -4.666   6.696
   14   1HH2  ARG   1          1HH2      ARG   1  -5.485  -4.057   3.454
   15   2HH2  ARG   1          2HH2      ARG   1  -5.112  -5.270   4.634
   16    H    ARG   2           H        ARG   2  -5.291   2.420   3.024
   17    HA   ARG   2           HA       ARG   2  -8.065   2.740   3.681
   18   1HB   ARG   2          2HB       ARG   2  -8.246   4.581   1.817
   19   2HB   ARG   2          1HB       ARG   2  -7.873   5.024   3.476
   20   1HG   ARG   2          2HG       ARG   2  -6.464   6.233   1.918
   21   2HG   ARG   2          1HG       ARG   2  -5.500   5.148   2.918
   22   1HD   ARG   2          2HD       ARG   2  -4.761   5.095   0.597
   23   2HD   ARG   2          1HD       ARG   2  -5.411   3.533   1.091
   24    HE   ARG   2           HE       ARG   2  -6.883   3.740  -0.625
   25   1HH1  ARG   2          1HH1      ARG   2  -6.036   6.952   0.440
   26   2HH1  ARG   2          2HH1      ARG   2  -7.046   7.741  -0.724
   27   1HH2  ARG   2          1HH2      ARG   2  -8.209   4.775  -2.162
   28   2HH2  ARG   2          2HH2      ARG   2  -8.276   6.506  -2.203
   29    H    TRP   3           H        TRP   3  -6.440   0.687   2.559
   30    HA   TRP   3           HA       TRP   3  -8.071  -0.148   0.441
   31   1HB   TRP   3          2HB       TRP   3  -6.312  -0.151  -1.382
   32   2HB   TRP   3          1HB       TRP   3  -6.995   1.419  -0.988
   33    HD1  TRP   3           HD       TRP   3  -4.514   0.546   1.598
   34    HE1  TRP   3           1HE      TRP   3  -2.271   1.712   1.118
   35    HE3  TRP   3           3HE      TRP   3  -5.400   2.051  -3.201
   36    HZ2  TRP   3           2HZ      TRP   3  -1.050   3.065  -1.018
   37    HZ3  TRP   3           3HZ      TRP   3  -3.631   3.269  -4.399
   38    HH2  TRP   3           HH       TRP   3  -1.498   3.771  -3.325
   39    H    GLN   4           H        GLN   4  -5.264  -1.292  -0.671
   40    HA   GLN   4           HA       GLN   4  -4.522  -3.125   1.400
   41   1HB   GLN   4          2HB       GLN   4  -5.216  -5.161   0.110
   42   2HB   GLN   4          1HB       GLN   4  -6.552  -4.236   0.783
   43   1HG   GLN   4          2HG       GLN   4  -6.941  -3.206  -1.390
   44   2HG   GLN   4          1HG       GLN   4  -5.600  -4.126  -2.067
   45   1HE2  GLN   4          1HE2      GLN   4  -8.841  -4.014  -1.877
   46   2HE2  GLN   4          2HE2      GLN   4  -9.223  -5.686  -2.085
   47    H    TRP   5           H        TRP   5  -2.892  -1.450   0.229
   48    HA   TRP   5           HA       TRP   5  -1.670  -2.193  -2.188
   49   1HB   TRP   5          2HB       TRP   5   0.199  -0.774  -1.419
   50   2HB   TRP   5          1HB       TRP   5  -1.359   0.003  -1.160
   51    HD1  TRP   5           HD       TRP   5  -2.331  -0.606   1.540
   52    HE1  TRP   5           1HE      TRP   5  -0.976  -0.268   3.706
   53    HE3  TRP   5           3HE      TRP   5   2.374  -0.585  -0.440
   54    HZ2  TRP   5           2HZ      TRP   5   1.736  -0.024   4.467
   55    HZ3  TRP   5           3HZ      TRP   5   4.295  -0.296   1.065
   56    HH2  TRP   5           HH       TRP   5   3.983  -0.022   3.466
   57    H    ARG   6           H        ARG   6   1.116  -2.184  -1.008
   58    HA   ARG   6           HA       ARG   6   1.400  -4.610   0.461
   59   1HB   ARG   6          2HB       ARG   6   2.624  -5.873  -1.298
   60   2HB   ARG   6          1HB       ARG   6   0.915  -5.661  -1.650
   61   1HG   ARG   6          2HG       ARG   6   1.448  -3.858  -3.201
   62   2HG   ARG   6          1HG       ARG   6   3.163  -4.045  -2.834
   63   1HD   ARG   6          2HD       ARG   6   2.657  -5.176  -4.904
   64   2HD   ARG   6          1HD       ARG   6   3.057  -6.365  -3.665
   65    HE   ARG   6           HE       ARG   6   0.278  -6.008  -3.701
   66   1HH1  ARG   6          1HH1      ARG   6   2.829  -7.320  -5.679
   67   2HH1  ARG   6          2HH1      ARG   6   1.803  -8.470  -6.468
   68   1HH2  ARG   6          1HH2      ARG   6  -1.084  -7.520  -4.741
   69   2HH2  ARG   6          2HH2      ARG   6  -0.420  -8.583  -5.936
   70    H    MET   7           H        MET   7   3.189  -2.643  -1.935
   71    HA   MET   7           HA       MET   7   5.016  -1.721   0.085
   72   1HB   MET   7          2HB       MET   7   6.028  -3.549  -2.104
   73   2HB   MET   7          1HB       MET   7   7.056  -2.541  -1.098
   74   1HG   MET   7          2HG       MET   7   6.282  -3.759   0.886
   75   2HG   MET   7          1HG       MET   7   5.301  -4.793  -0.151
   76   1HE   MET   7          1HE       MET   7   9.111  -3.931   0.916
   77   2HE   MET   7          2HE       MET   7   8.756  -3.223  -0.660
   78   3HE   MET   7          3HE       MET   7   9.883  -4.574  -0.533
   79    H    LYS   8           H        LYS   8   3.148  -0.887  -2.205
   80    HA   LYS   8           HA       LYS   8   4.879   0.513  -4.031
   81   1HB   LYS   8          2HB       LYS   8   1.891   0.730  -3.600
   82   2HB   LYS   8          1HB       LYS   8   2.783   1.475  -4.919
   83   1HG   LYS   8          2HG       LYS   8   3.430  -0.741  -5.729
   84   2HG   LYS   8          1HG       LYS   8   2.521  -1.482  -4.410
   85   1HD   LYS   8          2HD       LYS   8   0.463  -0.459  -5.268
   86   2HD   LYS   8          1HD       LYS   8   1.380   0.263  -6.592
   87   1HE   LYS   8          2HE       LYS   8   1.074  -2.690  -6.059
   88   2HE   LYS   8          1HE       LYS   8   0.220  -1.773  -7.300
   89   1HZ   LYS   8          1HZ       LYS   8   1.991  -2.733  -8.425
   90   2HZ   LYS   8          2HZ       LYS   8   3.088  -2.464  -7.165
   91   3HZ   LYS   8          3HZ       LYS   8   2.554  -1.167  -8.110
   92    H    LYS   9           H        LYS   9   2.960   1.248  -1.192
   93    HA   LYS   9           HA       LYS   9   3.110   4.042  -1.243
   94   1HB   LYS   9          2HB       LYS   9   1.621   2.839   0.270
   95   2HB   LYS   9          1HB       LYS   9   3.002   2.173   1.131
   96   1HG   LYS   9          2HG       LYS   9   3.648   4.467   1.789
   97   2HG   LYS   9          1HG       LYS   9   2.183   5.068   1.010
   98   1HD   LYS   9          2HD       LYS   9   2.254   3.073   3.276
   99   2HD   LYS   9          1HD       LYS   9   1.922   4.798   3.451
  100   1HE   LYS   9          2HE       LYS   9   0.292   2.847   1.825
  101   2HE   LYS   9          1HE       LYS   9  -0.136   3.459   3.422
  102   1HZ   LYS   9          1HZ       LYS   9  -0.213   4.812   0.833
  103   2HZ   LYS   9          2HZ       LYS   9   0.183   5.747   2.187
  104   3HZ   LYS   9          3HZ       LYS   9  -1.287   4.911   2.136
  105    H    LEU  10           H        LEU  10   5.277   1.650   0.197
  106    HA   LEU  10           HA       LEU  10   7.063   3.473   1.385
  107   1HB   LEU  10          2HB       LEU  10   6.966   1.104   1.990
  108   2HB   LEU  10          1HB       LEU  10   7.564   0.663   0.402
  109    HG   LEU  10           HG       LEU  10   9.686   1.838   0.900
  110   1HD1  LEU  10          1HD1      LEU  10  10.145   2.439   3.262
  111   2HD1  LEU  10          2HD1      LEU  10   8.432   2.209   3.613
  112   3HD1  LEU  10          3HD1      LEU  10   8.940   3.470   2.491
  113   1HD2  LEU  10          1HD2      LEU  10   9.508  -0.556   1.272
  114   2HD2  LEU  10          2HD2      LEU  10   8.881  -0.274   2.897
  115   3HD2  LEU  10          3HD2      LEU  10  10.536   0.185   2.498
  116    H    GLY  11           H        GLY  11   8.858   4.499   0.669
  117   1HA   GLY  11          2HA       GLY  11  10.257   3.870  -1.705
  118   2HA   GLY  11          1HA       GLY  11   9.117   5.167  -2.027
  Start of MODEL   14
    1   1H    ARG   1          1HT       ARG   1  -9.007   1.359   5.426
    2   2H    ARG   1          2HT       ARG   1  -7.989   0.814   6.662
    3   3H    ARG   1          3HT       ARG   1  -7.638   0.438   5.052
    4    HA   ARG   1           HA       ARG   1  -7.449   3.055   6.398
    5   1HB   ARG   1          2HB       ARG   1  -5.500   1.397   4.790
    6   2HB   ARG   1          1HB       ARG   1  -5.140   2.942   5.546
    7   1HG   ARG   1          2HG       ARG   1  -5.498   1.978   7.744
    8   2HG   ARG   1          1HG       ARG   1  -5.930   0.432   7.008
    9   1HD   ARG   1          2HD       ARG   1  -3.689   0.275   6.033
   10   2HD   ARG   1          1HD       ARG   1  -3.260   1.817   6.771
   11    HE   ARG   1           HE       ARG   1  -2.783   0.658   8.665
   12   1HH1  ARG   1          1HH1      ARG   1  -5.181  -1.143   6.884
   13   2HH1  ARG   1          2HH1      ARG   1  -5.239  -2.441   8.030
   14   1HH2  ARG   1          1HH2      ARG   1  -2.854  -1.047  10.171
   15   2HH2  ARG   1          2HH2      ARG   1  -3.916  -2.387   9.896
   16    H    ARG   2           H        ARG   2  -7.442   1.426   3.281
   17    HA   ARG   2           HA       ARG   2  -8.795   3.491   1.935
   18   1HB   ARG   2          2HB       ARG   2  -6.949   4.253   0.443
   19   2HB   ARG   2          1HB       ARG   2  -6.765   4.767   2.114
   20   1HG   ARG   2          2HG       ARG   2  -5.174   2.916   2.473
   21   2HG   ARG   2          1HG       ARG   2  -5.314   2.501   0.763
   22   1HD   ARG   2          2HD       ARG   2  -4.328   5.123   1.884
   23   2HD   ARG   2          1HD       ARG   2  -3.327   3.854   1.179
   24    HE   ARG   2           HE       ARG   2  -5.261   4.610  -0.698
   25   1HH1  ARG   2          1HH1      ARG   2  -2.443   5.912   0.884
   26   2HH1  ARG   2          2HH1      ARG   2  -2.032   6.963  -0.431
   27   1HH2  ARG   2          1HH2      ARG   2  -4.729   5.992  -2.431
   28   2HH2  ARG   2          2HH2      ARG   2  -3.332   7.009  -2.314
   29    H    TRP   3           H        TRP   3  -6.645   0.722   1.767
   30    HA   TRP   3           HA       TRP   3  -8.366  -0.600  -0.085
   31   1HB   TRP   3          2HB       TRP   3  -6.667  -0.905  -1.886
   32   2HB   TRP   3          1HB       TRP   3  -7.237   0.748  -1.735
   33    HD1  TRP   3           HD       TRP   3  -4.724   0.028   0.908
   34    HE1  TRP   3           1HE      TRP   3  -2.457   1.051   0.253
   35    HE3  TRP   3           3HE      TRP   3  -5.700   1.103  -3.993
   36    HZ2  TRP   3           2HZ      TRP   3  -1.253   2.155  -2.032
   37    HZ3  TRP   3           3HZ      TRP   3  -3.926   2.134  -5.347
   38    HH2  TRP   3           HH       TRP   3  -1.743   2.652  -4.385
   39    H    GLN   4           H        GLN   4  -5.669  -1.980  -1.001
   40    HA   GLN   4           HA       GLN   4  -4.915  -3.376   1.417
   41   1HB   GLN   4          2HB       GLN   4  -5.459  -5.606   0.460
   42   2HB   GLN   4          1HB       GLN   4  -6.883  -4.637   0.810
   43   1HG   GLN   4          2HG       GLN   4  -7.030  -4.028  -1.561
   44   2HG   GLN   4          1HG       GLN   4  -5.632  -5.049  -1.896
   45   1HE2  GLN   4          1HE2      GLN   4  -6.122  -6.954  -2.679
   46   2HE2  GLN   4          2HE2      GLN   4  -7.555  -7.862  -2.351
   47    H    TRP   5           H        TRP   5  -3.248  -1.847   0.208
   48    HA   TRP   5           HA       TRP   5  -1.853  -2.708  -2.045
   49   1HB   TRP   5          2HB       TRP   5  -0.015  -1.278  -1.189
   50   2HB   TRP   5          1HB       TRP   5  -1.582  -0.479  -1.134
   51    HD1  TRP   5           HD       TRP   5  -2.817  -0.974   1.503
   52    HE1  TRP   5           1HE      TRP   5  -1.686  -0.465   3.759
   53    HE3  TRP   5           3HE      TRP   5   2.065  -0.932  -0.020
   54    HZ2  TRP   5           2HZ      TRP   5   0.925  -0.090   4.760
   55    HZ3  TRP   5           3HZ      TRP   5   3.817  -0.487   1.649
   56    HH2  TRP   5           HH       TRP   5   3.256  -0.075   3.989
   57    H    ARG   6           H        ARG   6   0.852  -2.640  -0.703
   58    HA   ARG   6           HA       ARG   6   1.093  -5.008   0.862
   59   1HB   ARG   6          2HB       ARG   6   2.423  -6.287  -0.843
   60   2HB   ARG   6          1HB       ARG   6   0.700  -6.186  -1.178
   61   1HG   ARG   6          2HG       ARG   6   1.106  -4.430  -2.812
   62   2HG   ARG   6          1HG       ARG   6   2.833  -4.484  -2.454
   63   1HD   ARG   6          2HD       ARG   6   2.269  -5.732  -4.493
   64   2HD   ARG   6          1HD       ARG   6   2.955  -6.771  -3.245
   65    HE   ARG   6           HE       ARG   6   0.164  -6.824  -3.017
   66   1HH1  ARG   6          1HH1      ARG   6   2.669  -7.855  -5.211
   67   2HH1  ARG   6          2HH1      ARG   6   1.765  -9.206  -5.809
   68   1HH2  ARG   6          1HH2      ARG   6  -1.030  -8.599  -3.797
   69   2HH2  ARG   6          2HH2      ARG   6  -0.337  -9.630  -5.004
   70    H    MET   7           H        MET   7   2.805  -2.938  -1.471
   71    HA   MET   7           HA       MET   7   4.606  -1.979   0.498
   72   1HB   MET   7          2HB       MET   7   6.691  -2.912  -0.451
   73   2HB   MET   7          1HB       MET   7   5.661  -4.131   0.278
   74   1HG   MET   7          2HG       MET   7   4.874  -4.799  -1.932
   75   2HG   MET   7          1HG       MET   7   5.891  -3.562  -2.667
   76   1HE   MET   7          1HE       MET   7   8.654  -4.006  -0.661
   77   2HE   MET   7          2HE       MET   7   8.406  -3.416  -2.305
   78   3HE   MET   7          3HE       MET   7   9.469  -4.793  -2.014
   79    H    LYS   8           H        LYS   8   2.841  -1.201  -1.812
   80    HA   LYS   8           HA       LYS   8   4.609  -0.005  -3.740
   81   1HB   LYS   8          2HB       LYS   8   2.363  -0.659  -4.421
   82   2HB   LYS   8          1HB       LYS   8   1.657   0.394  -3.203
   83   1HG   LYS   8          2HG       LYS   8   1.494   1.394  -5.401
   84   2HG   LYS   8          1HG       LYS   8   2.560   2.345  -4.365
   85   1HD   LYS   8          2HD       LYS   8   4.508   1.313  -5.416
   86   2HD   LYS   8          1HD       LYS   8   3.447   0.351  -6.449
   87   1HE   LYS   8          2HE       LYS   8   2.554   2.399  -7.439
   88   2HE   LYS   8          1HE       LYS   8   3.598   3.365  -6.396
   89   1HZ   LYS   8          1HZ       LYS   8   4.453   3.034  -8.690
   90   2HZ   LYS   8          2HZ       LYS   8   4.614   1.383  -8.359
   91   3HZ   LYS   8          3HZ       LYS   8   5.518   2.512  -7.482
   92    H    LYS   9           H        LYS   9   2.806   0.967  -0.903
   93    HA   LYS   9           HA       LYS   9   3.714   3.721  -1.085
   94   1HB   LYS   9          2HB       LYS   9   1.405   3.105  -0.311
   95   2HB   LYS   9          1HB       LYS   9   2.131   2.384   1.118
   96   1HG   LYS   9          2HG       LYS   9   3.033   4.561   1.764
   97   2HG   LYS   9          1HG       LYS   9   2.304   5.286   0.330
   98   1HD   LYS   9          2HD       LYS   9   0.892   5.709   2.239
   99   2HD   LYS   9          1HD       LYS   9   0.078   4.579   1.155
  100   1HE   LYS   9          2HE       LYS   9  -0.177   3.888   3.476
  101   2HE   LYS   9          1HE       LYS   9   0.781   2.714   2.573
  102   1HZ   LYS   9          1HZ       LYS   9   2.242   4.823   3.960
  103   2HZ   LYS   9          2HZ       LYS   9   2.640   3.194   3.747
  104   3HZ   LYS   9          3HZ       LYS   9   1.516   3.641   4.929
  105    H    LEU  10           H        LEU  10   5.799   1.833  -0.877
  106    HA   LEU  10           HA       LEU  10   6.698   1.584   1.816
  107   1HB   LEU  10          2HB       LEU  10   8.892   0.969   0.682
  108   2HB   LEU  10          1HB       LEU  10   7.505  -0.054   0.368
  109    HG   LEU  10           HG       LEU  10   7.187   1.154  -1.806
  110   1HD1  LEU  10          1HD1      LEU  10   8.226   3.135  -1.943
  111   2HD1  LEU  10          2HD1      LEU  10   9.627   2.176  -2.419
  112   3HD1  LEU  10          3HD1      LEU  10   9.443   2.695  -0.744
  113   1HD2  LEU  10          1HD2      LEU  10   9.685   0.213  -2.519
  114   2HD2  LEU  10          2HD2      LEU  10   8.191  -0.723  -2.451
  115   3HD2  LEU  10          3HD2      LEU  10   9.286  -0.705  -1.067
  116    H    GLY  11           H        GLY  11   6.061   4.318   1.098
  117   1HA   GLY  11          2HA       GLY  11   8.226   5.635   2.310
  118   2HA   GLY  11          1HA       GLY  11   8.326   5.881   0.573
  Start of MODEL   15
    1   1H    ARG   1          1HT       ARG   1  -8.167   1.376   6.815
    2   2H    ARG   1          2HT       ARG   1  -6.976   1.121   7.988
    3   3H    ARG   1          3HT       ARG   1  -7.591  -0.187   7.111
    4    HA   ARG   1           HA       ARG   1  -5.501   1.646   6.441
    5   1HB   ARG   1          2HB       ARG   1  -6.427  -0.964   5.221
    6   2HB   ARG   1          1HB       ARG   1  -4.859  -0.208   4.978
    7   1HG   ARG   1          2HG       ARG   1  -4.375  -0.489   7.371
    8   2HG   ARG   1          1HG       ARG   1  -5.930  -1.298   7.574
    9   1HD   ARG   1          2HD       ARG   1  -4.200  -2.959   7.378
   10   2HD   ARG   1          1HD       ARG   1  -5.206  -3.003   5.931
   11    HE   ARG   1           HE       ARG   1  -3.016  -1.309   5.470
   12   1HH1  ARG   1          1HH1      ARG   1  -3.748  -4.688   5.916
   13   2HH1  ARG   1          2HH1      ARG   1  -2.394  -5.236   4.985
   14   1HH2  ARG   1          1HH2      ARG   1  -1.229  -2.022   4.247
   15   2HH2  ARG   1          2HH2      ARG   1  -0.962  -3.721   4.037
   16    H    ARG   2           H        ARG   2  -5.167   2.735   4.539
   17    HA   ARG   2           HA       ARG   2  -7.287   3.914   3.221
   18   1HB   ARG   2          2HB       ARG   2  -4.997   4.792   3.156
   19   2HB   ARG   2          1HB       ARG   2  -4.493   3.430   2.165
   20   1HG   ARG   2          2HG       ARG   2  -6.018   4.181   0.390
   21   2HG   ARG   2          1HG       ARG   2  -6.462   5.571   1.382
   22   1HD   ARG   2          2HD       ARG   2  -4.134   6.325   1.364
   23   2HD   ARG   2          1HD       ARG   2  -3.690   4.936   0.374
   24    HE   ARG   2           HE       ARG   2  -4.368   6.130  -1.435
   25   1HH1  ARG   2          1HH1      ARG   2  -6.091   7.327   1.352
   26   2HH1  ARG   2          2HH1      ARG   2  -6.940   8.545   0.460
   27   1HH2  ARG   2          1HH2      ARG   2  -5.486   7.728  -2.612
   28   2HH2  ARG   2          2HH2      ARG   2  -6.597   8.773  -1.792
   29    H    TRP   3           H        TRP   3  -5.549   0.961   2.433
   30    HA   TRP   3           HA       TRP   3  -7.718  -0.081   0.935
   31   1HB   TRP   3          2HB       TRP   3  -6.481  -0.264  -1.257
   32   2HB   TRP   3          1HB       TRP   3  -7.015   1.357  -0.842
   33    HD1  TRP   3           HD       TRP   3  -4.014   0.697   1.154
   34    HE1  TRP   3           1HE      TRP   3  -1.947   1.756   0.050
   35    HE3  TRP   3           3HE      TRP   3  -5.968   1.671  -3.466
   36    HZ2  TRP   3           2HZ      TRP   3  -1.247   2.844  -2.439
   37    HZ3  TRP   3           3HZ      TRP   3  -4.522   2.717  -5.157
   38    HH2  TRP   3           HH       TRP   3  -2.204   3.295  -4.653
   39    H    GLN   4           H        GLN   4  -5.328  -1.395  -0.745
   40    HA   GLN   4           HA       GLN   4  -4.276  -3.144   1.339
   41   1HB   GLN   4          2HB       GLN   4  -4.920  -5.163   0.034
   42   2HB   GLN   4          1HB       GLN   4  -6.298  -4.284   0.683
   43   1HG   GLN   4          2HG       GLN   4  -6.678  -3.260  -1.495
   44   2HG   GLN   4          1HG       GLN   4  -5.293  -4.134  -2.150
   45   1HE2  GLN   4          1HE2      GLN   4  -5.839  -5.833  -3.291
   46   2HE2  GLN   4          2HE2      GLN   4  -7.204  -6.856  -3.021
   47    H    TRP   5           H        TRP   5  -2.792  -1.306   0.121
   48    HA   TRP   5           HA       TRP   5  -1.574  -1.959  -2.315
   49   1HB   TRP   5          2HB       TRP   5   0.225  -0.441  -1.577
   50   2HB   TRP   5          1HB       TRP   5  -1.369   0.241  -1.276
   51    HD1  TRP   5           HD       TRP   5  -2.240  -0.421   1.439
   52    HE1  TRP   5           1HE      TRP   5  -0.861  -0.020   3.575
   53    HE3  TRP   5           3HE      TRP   5   2.421  -0.147  -0.641
   54    HZ2  TRP   5           2HZ      TRP   5   1.842   0.365   4.284
   55    HZ3  TRP   5           3HZ      TRP   5   4.351   0.243   0.836
   56    HH2  TRP   5           HH       TRP   5   4.065   0.494   3.246
   57    H    ARG   6           H        ARG   6   1.208  -1.873  -1.549
   58    HA   ARG   6           HA       ARG   6   1.700  -4.342  -0.086
   59   1HB   ARG   6          2HB       ARG   6   2.657  -3.961  -2.931
   60   2HB   ARG   6          1HB       ARG   6   3.036  -5.322  -1.886
   61   1HG   ARG   6          2HG       ARG   6   0.719  -6.010  -1.883
   62   2HG   ARG   6          1HG       ARG   6   0.275  -4.595  -2.840
   63   1HD   ARG   6          2HD       ARG   6   1.774  -5.408  -4.642
   64   2HD   ARG   6          1HD       ARG   6   2.067  -6.865  -3.692
   65    HE   ARG   6           HE       ARG   6  -0.163  -6.361  -5.344
   66   1HH1  ARG   6          1HH1      ARG   6   0.692  -7.792  -2.283
   67   2HH1  ARG   6          2HH1      ARG   6  -0.655  -8.879  -2.271
   68   1HH2  ARG   6          1HH2      ARG   6  -1.937  -7.788  -5.336
   69   2HH2  ARG   6          2HH2      ARG   6  -2.152  -8.875  -4.004
   70    H    MET   7           H        MET   7   3.531  -2.310  -2.368
   71    HA   MET   7           HA       MET   7   5.104  -1.136  -0.251
   72   1HB   MET   7          2HB       MET   7   6.387  -2.996  -2.265
   73   2HB   MET   7          1HB       MET   7   7.276  -1.906  -1.212
   74   1HG   MET   7          2HG       MET   7   6.406  -3.087   0.742
   75   2HG   MET   7          1HG       MET   7   5.524  -4.184  -0.318
   76   1HE   MET   7          1HE       MET   7   8.369  -5.611   1.778
   77   2HE   MET   7          2HE       MET   7   7.557  -6.753   0.707
   78   3HE   MET   7          3HE       MET   7   6.630  -5.490   1.516
   79    H    LYS   8           H        LYS   8   3.330  -0.271  -2.396
   80    HA   LYS   8           HA       LYS   8   5.051   1.011  -4.347
   81   1HB   LYS   8          2HB       LYS   8   2.060   1.183  -3.928
   82   2HB   LYS   8          1HB       LYS   8   2.937   1.900  -5.272
   83   1HG   LYS   8          2HG       LYS   8   3.638  -0.330  -5.998
   84   2HG   LYS   8          1HG       LYS   8   2.737  -1.043  -4.659
   85   1HD   LYS   8          2HD       LYS   8   0.664  -0.090  -5.566
   86   2HD   LYS   8          1HD       LYS   8   1.578   0.603  -6.906
   87   1HE   LYS   8          2HE       LYS   8   1.303  -2.334  -6.276
   88   2HE   LYS   8          1HE       LYS   8   0.471  -1.470  -7.568
   89   1HZ   LYS   8          1HZ       LYS   8   2.562  -1.029  -8.628
   90   2HZ   LYS   8          2HZ       LYS   8   2.445  -2.691  -8.337
   91   3HZ   LYS   8          3HZ       LYS   8   3.421  -1.726  -7.348
   92    H    LYS   9           H        LYS   9   3.013   1.898  -1.607
   93    HA   LYS   9           HA       LYS   9   3.192   4.674  -1.818
   94   1HB   LYS   9          2HB       LYS   9   1.628   3.559  -0.309
   95   2HB   LYS   9          1HB       LYS   9   2.966   2.969   0.668
   96   1HG   LYS   9          2HG       LYS   9   3.541   5.235   1.302
   97   2HG   LYS   9          1HG       LYS   9   2.266   5.872   0.262
   98   1HD   LYS   9          2HD       LYS   9   1.521   5.838   2.572
   99   2HD   LYS   9          1HD       LYS   9   0.592   4.679   1.621
  100   1HE   LYS   9          2HE       LYS   9   2.017   2.865   2.453
  101   2HE   LYS   9          1HE       LYS   9   2.933   4.029   3.410
  102   1HZ   LYS   9          1HZ       LYS   9   0.604   4.585   4.375
  103   2HZ   LYS   9          2HZ       LYS   9   1.445   3.232   4.941
  104   3HZ   LYS   9          3HZ       LYS   9   0.196   3.040   3.818
  105    H    LEU  10           H        LEU  10   5.264   2.397  -0.070
  106    HA   LEU  10           HA       LEU  10   7.068   4.432   0.849
  107   1HB   LEU  10          2HB       LEU  10   7.683   1.493   0.663
  108   2HB   LEU  10          1HB       LEU  10   8.336   2.667   1.790
  109    HG   LEU  10           HG       LEU  10   5.516   1.615   1.765
  110   1HD1  LEU  10          1HD1      LEU  10   7.484   1.233   3.975
  111   2HD1  LEU  10          2HD1      LEU  10   7.518   0.167   2.568
  112   3HD1  LEU  10          3HD1      LEU  10   6.063   0.277   3.558
  113   1HD2  LEU  10          1HD2      LEU  10   4.922   3.147   3.298
  114   2HD2  LEU  10          2HD2      LEU  10   6.274   4.071   2.642
  115   3HD2  LEU  10          3HD2      LEU  10   6.493   3.101   4.098
  116    H    GLY  11           H        GLY  11   9.388   2.530   0.139
  117   1HA   GLY  11          2HA       GLY  11  11.067   2.541  -1.426
  118   2HA   GLY  11          1HA       GLY  11   9.757   2.326  -2.576
  Start of MODEL   16
    1   1H    ARG   1          1HT       ARG   1  -8.103  -1.141   5.458
    2   2H    ARG   1          2HT       ARG   1  -7.756  -1.177   7.113
    3   3H    ARG   1          3HT       ARG   1  -6.569  -1.617   5.992
    4    HA   ARG   1           HA       ARG   1  -7.229   0.946   7.003
    5   1HB   ARG   1          2HB       ARG   1  -5.057   0.027   5.103
    6   2HB   ARG   1          1HB       ARG   1  -5.022   1.461   6.123
    7   1HG   ARG   1          2HG       ARG   1  -5.056   0.032   8.115
    8   2HG   ARG   1          1HG       ARG   1  -5.028  -1.393   7.075
    9   1HD   ARG   1          2HD       ARG   1  -2.796  -0.909   7.881
   10   2HD   ARG   1          1HD       ARG   1  -2.881  -0.645   6.141
   11    HE   ARG   1           HE       ARG   1  -3.387   1.791   7.401
   12   1HH1  ARG   1          1HH1      ARG   1  -0.770  -0.480   7.019
   13   2HH1  ARG   1          2HH1      ARG   1   0.467   0.724   7.175
   14   1HH2  ARG   1          1HH2      ARG   1  -1.763   3.380   7.609
   15   2HH2  ARG   1          2HH2      ARG   1  -0.098   2.914   7.511
   16    H    ARG   2           H        ARG   2  -5.771   2.046   4.457
   17    HA   ARG   2           HA       ARG   2  -8.049   3.227   3.297
   18   1HB   ARG   2          2HB       ARG   2  -5.872   4.327   3.266
   19   2HB   ARG   2          1HB       ARG   2  -5.217   3.045   2.255
   20   1HG   ARG   2          2HG       ARG   2  -6.673   3.683   0.436
   21   2HG   ARG   2          1HG       ARG   2  -7.446   4.904   1.450
   22   1HD   ARG   2          2HD       ARG   2  -5.787   5.886  -0.070
   23   2HD   ARG   2          1HD       ARG   2  -5.354   6.120   1.622
   24    HE   ARG   2           HE       ARG   2  -4.106   3.790   0.709
   25   1HH1  ARG   2          1HH1      ARG   2  -4.001   7.232   0.184
   26   2HH1  ARG   2          2HH1      ARG   2  -2.321   7.248  -0.238
   27   1HH2  ARG   2          1HH2      ARG   2  -1.893   3.799   0.155
   28   2HH2  ARG   2          2HH2      ARG   2  -1.122   5.295  -0.258
   29    H    TRP   3           H        TRP   3  -6.109   0.439   2.438
   30    HA   TRP   3           HA       TRP   3  -8.186  -0.665   0.848
   31   1HB   TRP   3          2HB       TRP   3  -6.881  -0.751  -1.299
   32   2HB   TRP   3          1HB       TRP   3  -7.461   0.848  -0.865
   33    HD1  TRP   3           HD       TRP   3  -4.506   0.222   1.210
   34    HE1  TRP   3           1HE      TRP   3  -2.429   1.339   0.180
   35    HE3  TRP   3           3HE      TRP   3  -6.345   1.214  -3.451
   36    HZ2  TRP   3           2HZ      TRP   3  -1.681   2.474  -2.276
   37    HZ3  TRP   3           3HZ      TRP   3  -4.874   2.311  -5.089
   38    HH2  TRP   3           HH       TRP   3  -2.584   2.930  -4.512
   39    H    GLN   4           H        GLN   4  -5.650  -1.833  -0.746
   40    HA   GLN   4           HA       GLN   4  -4.624  -3.592   1.338
   41   1HB   GLN   4          2HB       GLN   4  -5.161  -5.607  -0.021
   42   2HB   GLN   4          1HB       GLN   4  -6.588  -4.783   0.594
   43   1HG   GLN   4          2HG       GLN   4  -6.904  -3.716  -1.580
   44   2HG   GLN   4          1HG       GLN   4  -5.484  -4.558  -2.194
   45   1HE2  GLN   4          1HE2      GLN   4  -6.904  -6.644  -0.105
   46   2HE2  GLN   4          2HE2      GLN   4  -7.903  -7.526  -1.203
   47    H    TRP   5           H        TRP   5  -3.128  -1.711   0.226
   48    HA   TRP   5           HA       TRP   5  -1.844  -2.268  -2.199
   49   1HB   TRP   5          2HB       TRP   5  -0.055  -0.778  -1.351
   50   2HB   TRP   5          1HB       TRP   5  -1.664  -0.101  -1.113
   51    HD1  TRP   5           HD       TRP   5  -2.676  -0.722   1.523
   52    HE1  TRP   5           1HE      TRP   5  -1.402  -0.394   3.738
   53    HE3  TRP   5           3HE      TRP   5   2.109  -0.651  -0.286
   54    HZ2  TRP   5           2HZ      TRP   5   1.273  -0.138   4.603
   55    HZ3  TRP   5           3HZ      TRP   5   3.966  -0.359   1.302
   56    HH2  TRP   5           HH       TRP   5   3.555  -0.108   3.694
   57    H    ARG   6           H        ARG   6   0.926  -2.201  -1.374
   58    HA   ARG   6           HA       ARG   6   1.406  -4.691   0.042
   59   1HB   ARG   6          2HB       ARG   6   2.214  -4.321  -2.850
   60   2HB   ARG   6          1HB       ARG   6   2.760  -5.633  -1.818
   61   1HG   ARG   6          2HG       ARG   6   0.489  -6.455  -1.616
   62   2HG   ARG   6          1HG       ARG   6  -0.104  -5.101  -2.580
   63   1HD   ARG   6          2HD       ARG   6   1.234  -5.880  -4.482
   64   2HD   ARG   6          1HD       ARG   6   1.802  -7.244  -3.517
   65    HE   ARG   6           HE       ARG   6  -0.976  -7.310  -3.491
   66   1HH1  ARG   6          1HH1      ARG   6   1.603  -7.607  -5.817
   67   2HH1  ARG   6          2HH1      ARG   6   0.712  -8.665  -6.858
   68   1HH2  ARG   6          1HH2      ARG   6  -2.152  -8.702  -4.854
   69   2HH2  ARG   6          2HH2      ARG   6  -1.423  -9.288  -6.311
   70    H    MET   7           H        MET   7   3.019  -2.365  -2.131
   71    HA   MET   7           HA       MET   7   4.658  -1.245  -0.139
   72   1HB   MET   7          2HB       MET   7   6.846  -2.194  -0.848
   73   2HB   MET   7          1HB       MET   7   5.794  -3.374  -0.079
   74   1HG   MET   7          2HG       MET   7   5.166  -4.244  -2.274
   75   2HG   MET   7          1HG       MET   7   6.229  -3.066  -3.041
   76   1HE   MET   7          1HE       MET   7   6.299  -6.188  -3.574
   77   2HE   MET   7          2HE       MET   7   8.026  -6.550  -3.544
   78   3HE   MET   7          3HE       MET   7   7.442  -5.105  -4.370
   79    H    LYS   8           H        LYS   8   3.067  -0.346  -2.296
   80    HA   LYS   8           HA       LYS   8   4.981   0.623  -4.284
   81   1HB   LYS   8          2HB       LYS   8   1.969   0.826  -4.159
   82   2HB   LYS   8          1HB       LYS   8   2.960   1.474  -5.458
   83   1HG   LYS   8          2HG       LYS   8   2.759  -1.431  -4.693
   84   2HG   LYS   8          1HG       LYS   8   1.945  -0.665  -6.057
   85   1HD   LYS   8          2HD       LYS   8   4.930  -0.893  -5.663
   86   2HD   LYS   8          1HD       LYS   8   3.955  -1.841  -6.786
   87   1HE   LYS   8          2HE       LYS   8   4.368   1.147  -6.853
   88   2HE   LYS   8          1HE       LYS   8   5.088  -0.031  -7.950
   89   1HZ   LYS   8          1HZ       LYS   8   2.166   0.423  -7.666
   90   2HZ   LYS   8          2HZ       LYS   8   2.930  -0.567  -8.806
   91   3HZ   LYS   8          3HZ       LYS   8   3.125   1.113  -8.879
   92    H    LYS   9           H        LYS   9   2.505   1.899  -2.076
   93    HA   LYS   9           HA       LYS   9   3.193   4.614  -2.521
   94   1HB   LYS   9          2HB       LYS   9   1.772   5.075  -0.551
   95   2HB   LYS   9          1HB       LYS   9   0.984   4.038  -1.728
   96   1HG   LYS   9          2HG       LYS   9   0.426   3.002   0.235
   97   2HG   LYS   9          1HG       LYS   9   1.879   2.112  -0.216
   98   1HD   LYS   9          2HD       LYS   9   2.093   2.601   2.088
   99   2HD   LYS   9          1HD       LYS   9   3.167   3.721   1.251
  100   1HE   LYS   9          2HE       LYS   9   0.380   4.378   2.201
  101   2HE   LYS   9          1HE       LYS   9   1.861   4.786   3.064
  102   1HZ   LYS   9          1HZ       LYS   9   2.512   5.988   0.937
  103   2HZ   LYS   9          2HZ       LYS   9   1.308   6.703   1.887
  104   3HZ   LYS   9          3HZ       LYS   9   0.887   5.853   0.485
  105    H    LEU  10           H        LEU  10   4.190   2.216  -0.151
  106    HA   LEU  10           HA       LEU  10   5.616   4.005   1.529
  107   1HB   LEU  10          2HB       LEU  10   4.845   1.769   2.240
  108   2HB   LEU  10          1HB       LEU  10   5.996   1.034   1.141
  109    HG   LEU  10           HG       LEU  10   7.846   2.063   2.437
  110   1HD1  LEU  10          1HD1      LEU  10   7.410   3.056   4.595
  111   2HD1  LEU  10          2HD1      LEU  10   5.674   2.838   4.378
  112   3HD1  LEU  10          3HD1      LEU  10   6.558   3.959   3.343
  113   1HD2  LEU  10          1HD2      LEU  10   7.933   0.285   3.810
  114   2HD2  LEU  10          2HD2      LEU  10   6.470  -0.206   2.956
  115   3HD2  LEU  10          3HD2      LEU  10   6.350   0.615   4.512
  116    H    GLY  11           H        GLY  11   7.683   4.727   1.458
  117   1HA   GLY  11          2HA       GLY  11   9.789   3.532   0.027
  118   2HA   GLY  11          1HA       GLY  11   9.071   4.779  -0.979
  Start of MODEL   17
    1   1H    ARG   1          1HT       ARG   1  -8.605  -0.699   6.128
    2   2H    ARG   1          2HT       ARG   1  -8.944   0.924   6.461
    3   3H    ARG   1          3HT       ARG   1  -7.940   0.041   7.496
    4    HA   ARG   1           HA       ARG   1  -6.415   1.250   6.311
    5   1HB   ARG   1          2HB       ARG   1  -6.822  -1.277   4.698
    6   2HB   ARG   1          1HB       ARG   1  -5.333  -0.350   4.809
    7   1HG   ARG   1          2HG       ARG   1  -5.241  -0.845   7.223
    8   2HG   ARG   1          1HG       ARG   1  -6.684  -1.844   7.046
    9   1HD   ARG   1          2HD       ARG   1  -4.709  -3.241   7.017
   10   2HD   ARG   1          1HD       ARG   1  -5.480  -3.259   5.432
   11    HE   ARG   1           HE       ARG   1  -3.522  -1.260   5.445
   12   1HH1  ARG   1          1HH1      ARG   1  -3.774  -4.732   5.577
   13   2HH1  ARG   1          2HH1      ARG   1  -2.232  -5.001   4.836
   14   1HH2  ARG   1          1HH2      ARG   1  -1.489  -1.604   4.472
   15   2HH2  ARG   1          2HH2      ARG   1  -0.933  -3.223   4.210
   16    H    ARG   2           H        ARG   2  -5.808   2.484   4.544
   17    HA   ARG   2           HA       ARG   2  -7.747   3.730   3.049
   18   1HB   ARG   2          2HB       ARG   2  -5.441   4.565   3.387
   19   2HB   ARG   2          1HB       ARG   2  -4.845   3.344   2.275
   20   1HG   ARG   2          2HG       ARG   2  -6.886   5.360   1.411
   21   2HG   ARG   2          1HG       ARG   2  -5.164   5.742   1.421
   22   1HD   ARG   2          2HD       ARG   2  -4.757   3.793  -0.038
   23   2HD   ARG   2          1HD       ARG   2  -6.492   3.490  -0.085
   24    HE   ARG   2           HE       ARG   2  -6.605   5.035  -1.741
   25   1HH1  ARG   2          1HH1      ARG   2  -3.863   5.824   0.263
   26   2HH1  ARG   2          2HH1      ARG   2  -3.397   7.190  -0.693
   27   1HH2  ARG   2          1HH2      ARG   2  -5.992   6.831  -3.006
   28   2HH2  ARG   2          2HH2      ARG   2  -4.605   7.763  -2.548
   29    H    TRP   3           H        TRP   3  -5.912   0.832   2.267
   30    HA   TRP   3           HA       TRP   3  -7.888  -0.084   0.456
   31   1HB   TRP   3          2HB       TRP   3  -6.421  -0.149  -1.587
   32   2HB   TRP   3          1HB       TRP   3  -6.973   1.454  -1.131
   33    HD1  TRP   3           HD       TRP   3  -4.204   0.596   1.123
   34    HE1  TRP   3           1HE      TRP   3  -2.023   1.691   0.312
   35    HE3  TRP   3           3HE      TRP   3  -5.662   1.923  -3.591
   36    HZ2  TRP   3           2HZ      TRP   3  -1.057   2.935  -2.011
   37    HZ3  TRP   3           3HZ      TRP   3  -4.038   3.057  -5.051
   38    HH2  TRP   3           HH       TRP   3  -1.777   3.555  -4.274
   39    H    GLN   4           H        GLN   4  -5.309  -1.314  -1.006
   40    HA   GLN   4           HA       GLN   4  -4.483  -3.188   1.060
   41   1HB   GLN   4          2HB       GLN   4  -5.069  -5.142  -0.358
   42   2HB   GLN   4          1HB       GLN   4  -6.479  -4.250   0.204
   43   1HG   GLN   4          2HG       GLN   4  -6.632  -3.135  -1.966
   44   2HG   GLN   4          1HG       GLN   4  -5.233  -4.048  -2.528
   45   1HE2  GLN   4          1HE2      GLN   4  -8.477  -3.911  -2.668
   46   2HE2  GLN   4          2HE2      GLN   4  -8.844  -5.573  -2.969
   47    H    TRP   5           H        TRP   5  -2.869  -1.351   0.059
   48    HA   TRP   5           HA       TRP   5  -1.496  -1.899  -2.321
   49   1HB   TRP   5          2HB       TRP   5   0.282  -0.478  -1.371
   50   2HB   TRP   5          1HB       TRP   5  -1.312   0.231  -1.130
   51    HD1  TRP   5           HD       TRP   5  -2.390  -0.535   1.460
   52    HE1  TRP   5           1HE      TRP   5  -1.152  -0.340   3.711
   53    HE3  TRP   5           3HE      TRP   5   2.423  -0.386  -0.265
   54    HZ2  TRP   5           2HZ      TRP   5   1.510  -0.149   4.631
   55    HZ3  TRP   5           3HZ      TRP   5   4.255  -0.196   1.366
   56    HH2  TRP   5           HH       TRP   5   3.807  -0.079   3.763
   57    H    ARG   6           H        ARG   6   1.219  -1.941  -1.359
   58    HA   ARG   6           HA       ARG   6   1.601  -4.432   0.066
   59   1HB   ARG   6          2HB       ARG   6   2.423  -4.131  -2.830
   60   2HB   ARG   6          1HB       ARG   6   3.009  -5.400  -1.768
   61   1HG   ARG   6          2HG       ARG   6   0.114  -4.975  -2.471
   62   2HG   ARG   6          1HG       ARG   6   1.189  -6.112  -3.287
   63   1HD   ARG   6          2HD       ARG   6   1.551  -7.283  -1.165
   64   2HD   ARG   6          1HD       ARG   6   0.472  -6.148  -0.356
   65    HE   ARG   6           HE       ARG   6  -0.915  -7.294  -2.493
   66   1HH1  ARG   6          1HH1      ARG   6   0.468  -8.240   0.563
   67   2HH1  ARG   6          2HH1      ARG   6  -0.667  -9.523   0.824
   68   1HH2  ARG   6          1HH2      ARG   6  -2.411  -8.979  -2.157
   69   2HH2  ARG   6          2HH2      ARG   6  -2.302  -9.944  -0.722
   70    H    MET   7           H        MET   7   3.316  -2.241  -2.157
   71    HA   MET   7           HA       MET   7   4.930  -1.043  -0.197
   72   1HB   MET   7          2HB       MET   7   7.109  -2.081  -0.749
   73   2HB   MET   7          1HB       MET   7   5.997  -3.212   0.011
   74   1HG   MET   7          2HG       MET   7   5.444  -4.110  -2.223
   75   2HG   MET   7          1HG       MET   7   6.654  -3.035  -2.921
   76   1HE   MET   7          1HE       MET   7   9.517  -4.022  -0.483
   77   2HE   MET   7          2HE       MET   7   8.771  -2.750  -1.451
   78   3HE   MET   7          3HE       MET   7   9.808  -3.951  -2.222
   79    H    LYS   8           H        LYS   8   3.419  -0.200  -2.395
   80    HA   LYS   8           HA       LYS   8   5.261   0.459  -4.536
   81   1HB   LYS   8          2HB       LYS   8   3.298   1.565  -5.561
   82   2HB   LYS   8          1HB       LYS   8   2.995  -0.118  -5.155
   83   1HG   LYS   8          2HG       LYS   8   1.813   0.593  -3.129
   84   2HG   LYS   8          1HG       LYS   8   2.096   2.278  -3.568
   85   1HD   LYS   8          2HD       LYS   8   0.603   0.312  -5.301
   86   2HD   LYS   8          1HD       LYS   8  -0.178   1.400  -4.156
   87   1HE   LYS   8          2HE       LYS   8  -0.297   2.407  -6.317
   88   2HE   LYS   8          1HE       LYS   8   0.880   3.312  -5.367
   89   1HZ   LYS   8          1HZ       LYS   8   1.447   2.662  -7.776
   90   2HZ   LYS   8          2HZ       LYS   8   1.761   1.127  -7.140
   91   3HZ   LYS   8          3HZ       LYS   8   2.634   2.467  -6.586
   92    H    LYS   9           H        LYS   9   3.452   2.134  -1.999
   93    HA   LYS   9           HA       LYS   9   4.401   4.726  -2.701
   94   1HB   LYS   9          2HB       LYS   9   3.457   5.438  -0.548
   95   2HB   LYS   9          1HB       LYS   9   2.324   4.456  -1.466
   96   1HG   LYS   9          2HG       LYS   9   2.886   2.520  -0.083
   97   2HG   LYS   9          1HG       LYS   9   4.012   3.516   0.843
   98   1HD   LYS   9          2HD       LYS   9   2.158   4.968   1.524
   99   2HD   LYS   9          1HD       LYS   9   1.035   3.962   0.605
  100   1HE   LYS   9          2HE       LYS   9   1.586   2.049   2.019
  101   2HE   LYS   9          1HE       LYS   9   2.723   3.042   2.929
  102   1HZ   LYS   9          1HZ       LYS   9  -0.207   3.505   2.752
  103   2HZ   LYS   9          2HZ       LYS   9   0.889   4.437   3.641
  104   3HZ   LYS   9          3HZ       LYS   9   0.604   2.829   4.074
  105    H    LEU  10           H        LEU  10   5.459   2.259  -0.426
  106    HA   LEU  10           HA       LEU  10   7.506   3.923   0.727
  107   1HB   LEU  10          2HB       LEU  10   6.350   2.100   1.969
  108   2HB   LEU  10          1HB       LEU  10   7.137   0.931   0.925
  109    HG   LEU  10           HG       LEU  10   9.337   1.677   1.777
  110   1HD1  LEU  10          1HD1      LEU  10   9.371   3.753   2.623
  111   2HD1  LEU  10          2HD1      LEU  10   8.846   2.977   4.117
  112   3HD1  LEU  10          3HD1      LEU  10   7.659   3.717   3.043
  113   1HD2  LEU  10          1HD2      LEU  10   9.181   0.117   3.356
  114   2HD2  LEU  10          2HD2      LEU  10   7.450   0.073   3.022
  115   3HD2  LEU  10          3HD2      LEU  10   8.073   1.097   4.316
  116    H    GLY  11           H        GLY  11   7.881   4.050  -1.946
  117   1HA   GLY  11          2HA       GLY  11   9.594   2.113  -3.063
  118   2HA   GLY  11          1HA       GLY  11   9.439   3.776  -3.607
  Start of MODEL   18
    1   1H    ARG   1          1HT       ARG   1  -3.320   4.544   5.041
    2   2H    ARG   1          2HT       ARG   1  -3.210   3.692   6.498
    3   3H    ARG   1          3HT       ARG   1  -4.622   4.543   6.121
    4    HA   ARG   1           HA       ARG   1  -3.838   2.580   4.158
    5   1HB   ARG   1          2HB       ARG   1  -3.186   1.408   6.188
    6   2HB   ARG   1          1HB       ARG   1  -4.731   1.784   6.937
    7   1HG   ARG   1          2HG       ARG   1  -5.876   0.409   5.272
    8   2HG   ARG   1          1HG       ARG   1  -4.324   0.029   4.524
    9   1HD   ARG   1          2HD       ARG   1  -3.577  -1.048   6.574
   10   2HD   ARG   1          1HD       ARG   1  -5.092  -0.621   7.368
   11    HE   ARG   1           HE       ARG   1  -5.986  -2.496   6.450
   12   1HH1  ARG   1          1HH1      ARG   1  -3.350  -1.464   4.412
   13   2HH1  ARG   1          2HH1      ARG   1  -3.522  -2.787   3.308
   14   1HH2  ARG   1          1HH2      ARG   1  -6.213  -4.236   4.999
   15   2HH2  ARG   1          2HH2      ARG   1  -5.146  -4.362   3.641
   16    H    ARG   2           H        ARG   2  -5.558   2.093   2.922
   17    HA   ARG   2           HA       ARG   2  -8.254   2.245   3.804
   18   1HB   ARG   2          2HB       ARG   2  -9.019   4.126   2.476
   19   2HB   ARG   2          1HB       ARG   2  -7.790   4.664   3.611
   20   1HG   ARG   2          2HG       ARG   2  -7.262   4.056   0.711
   21   2HG   ARG   2          1HG       ARG   2  -7.610   5.663   1.346
   22   1HD   ARG   2          2HD       ARG   2  -5.632   5.508   2.791
   23   2HD   ARG   2          1HD       ARG   2  -5.283   3.911   2.131
   24    HE   ARG   2           HE       ARG   2  -4.269   4.961   0.390
   25   1HH1  ARG   2          1HH1      ARG   2  -6.649   7.136   1.716
   26   2HH1  ARG   2          2HH1      ARG   2  -6.287   8.414   0.604
   27   1HH2  ARG   2          1HH2      ARG   2  -3.791   6.636  -1.079
   28   2HH2  ARG   2          2HH2      ARG   2  -4.665   8.129  -0.985
   29    H    TRP   3           H        TRP   3  -6.587   0.362   2.538
   30    HA   TRP   3           HA       TRP   3  -8.285  -0.556   0.497
   31   1HB   TRP   3          2HB       TRP   3  -6.632  -0.464  -1.403
   32   2HB   TRP   3          1HB       TRP   3  -7.324   1.086  -0.949
   33    HD1  TRP   3           HD       TRP   3  -4.753   0.391   1.549
   34    HE1  TRP   3           1HE      TRP   3  -2.536   1.542   0.936
   35    HE3  TRP   3           3HE      TRP   3  -5.764   1.556  -3.321
   36    HZ2  TRP   3           2HZ      TRP   3  -1.377   2.759  -1.314
   37    HZ3  TRP   3           3HZ      TRP   3  -4.037   2.709  -4.640
   38    HH2  TRP   3           HH       TRP   3  -1.884   3.303  -3.653
   39    H    GLN   4           H        GLN   4  -5.711  -1.738  -0.851
   40    HA   GLN   4           HA       GLN   4  -4.877  -3.555   1.273
   41   1HB   GLN   4          2HB       GLN   4  -6.052  -4.510  -1.342
   42   2HB   GLN   4          1HB       GLN   4  -5.352  -5.535  -0.094
   43   1HG   GLN   4          2HG       GLN   4  -7.092  -4.762   1.468
   44   2HG   GLN   4          1HG       GLN   4  -7.813  -3.826   0.163
   45   1HE2  GLN   4          1HE2      GLN   4  -9.513  -4.770  -0.682
   46   2HE2  GLN   4          2HE2      GLN   4  -9.753  -6.471  -0.877
   47    H    TRP   5           H        TRP   5  -3.212  -1.726   0.418
   48    HA   TRP   5           HA       TRP   5  -1.695  -2.335  -1.893
   49   1HB   TRP   5          2HB       TRP   5  -0.040  -0.782  -0.948
   50   2HB   TRP   5          1HB       TRP   5  -1.668  -0.123  -0.830
   51    HD1  TRP   5           HD       TRP   5  -2.827  -0.840   1.777
   52    HE1  TRP   5           1HE      TRP   5  -1.700  -0.409   4.051
   53    HE3  TRP   5           3HE      TRP   5   2.022  -0.421   0.215
   54    HZ2  TRP   5           2HZ      TRP   5   0.900   0.050   5.049
   55    HZ3  TRP   5           3HZ      TRP   5   3.767   0.015   1.892
   56    HH2  TRP   5           HH       TRP   5   3.217   0.247   4.259
   57    H    ARG   6           H        ARG   6   0.930  -2.140  -0.381
   58    HA   ARG   6           HA       ARG   6   1.249  -4.464   1.190
   59   1HB   ARG   6          2HB       ARG   6   2.562  -5.832  -0.391
   60   2HB   ARG   6          1HB       ARG   6   0.879  -5.679  -0.872
   61   1HG   ARG   6          2HG       ARG   6   1.480  -4.035  -2.546
   62   2HG   ARG   6          1HG       ARG   6   3.164  -4.088  -2.022
   63   1HD   ARG   6          2HD       ARG   6   3.238  -6.484  -2.622
   64   2HD   ARG   6          1HD       ARG   6   1.584  -6.360  -3.222
   65    HE   ARG   6           HE       ARG   6   3.124  -4.416  -4.509
   66   1HH1  ARG   6          1HH1      ARG   6   2.850  -7.887  -4.345
   67   2HH1  ARG   6          2HH1      ARG   6   3.434  -8.139  -5.955
   68   1HH2  ARG   6          1HH2      ARG   6   3.897  -4.740  -6.630
   69   2HH2  ARG   6          2HH2      ARG   6   4.029  -6.350  -7.253
   70    H    MET   7           H        MET   7   2.968  -2.513  -1.243
   71    HA   MET   7           HA       MET   7   4.675  -1.289   0.632
   72   1HB   MET   7          2HB       MET   7   6.816  -2.365  -0.070
   73   2HB   MET   7          1HB       MET   7   5.758  -3.417   0.857
   74   1HG   MET   7          2HG       MET   7   5.012  -4.485  -1.214
   75   2HG   MET   7          1HG       MET   7   6.088  -3.435  -2.135
   76   1HE   MET   7          1HE       MET   7   6.439  -7.020  -2.123
   77   2HE   MET   7          2HE       MET   7   8.018  -6.532  -2.739
   78   3HE   MET   7          3HE       MET   7   6.578  -5.615  -3.180
   79    H    LYS   8           H        LYS   8   3.058  -0.814  -1.812
   80    HA   LYS   8           HA       LYS   8   4.968   0.016  -3.816
   81   1HB   LYS   8          2HB       LYS   8   1.982   0.456  -3.608
   82   2HB   LYS   8          1HB       LYS   8   2.967   0.925  -4.986
   83   1HG   LYS   8          2HG       LYS   8   2.500  -1.880  -3.992
   84   2HG   LYS   8          1HG       LYS   8   1.821  -1.149  -5.447
   85   1HD   LYS   8          2HD       LYS   8   4.751  -1.654  -4.913
   86   2HD   LYS   8          1HD       LYS   8   3.715  -2.599  -5.984
   87   1HE   LYS   8          2HE       LYS   8   4.404   0.321  -6.312
   88   2HE   LYS   8          1HE       LYS   8   5.100  -1.012  -7.232
   89   1HZ   LYS   8          1HZ       LYS   8   2.261  -0.141  -7.245
   90   2HZ   LYS   8          2HZ       LYS   8   2.839  -1.516  -8.041
   91   3HZ   LYS   8          3HZ       LYS   8   3.375   0.018  -8.509
   92    H    LYS   9           H        LYS   9   3.006   1.454  -1.299
   93    HA   LYS   9           HA       LYS   9   3.308   4.154  -1.902
   94   1HB   LYS   9          2HB       LYS   9   3.204   2.893   0.847
   95   2HB   LYS   9          1HB       LYS   9   2.837   4.570   0.462
   96   1HG   LYS   9          2HG       LYS   9   0.920   3.885  -0.847
   97   2HG   LYS   9          1HG       LYS   9   1.307   2.188  -0.565
   98   1HD   LYS   9          2HD       LYS   9  -0.424   2.744   0.955
   99   2HD   LYS   9          1HD       LYS   9   1.062   2.664   1.902
  100   1HE   LYS   9          2HE       LYS   9  -0.152   5.207   0.830
  101   2HE   LYS   9          1HE       LYS   9  -0.396   4.598   2.465
  102   1HZ   LYS   9          1HZ       LYS   9   2.244   4.595   2.371
  103   2HZ   LYS   9          2HZ       LYS   9   1.355   5.949   2.858
  104   3HZ   LYS   9          3HZ       LYS   9   1.950   5.852   1.278
  105    H    LEU  10           H        LEU  10   5.447   1.921  -0.239
  106    HA   LEU  10           HA       LEU  10   7.309   3.747   0.771
  107   1HB   LEU  10          2HB       LEU  10   7.521   0.875  -0.054
  108   2HB   LEU  10          1HB       LEU  10   8.920   1.747   0.521
  109    HG   LEU  10           HG       LEU  10   7.703   2.182   2.615
  110   1HD1  LEU  10          1HD1      LEU  10   5.427   1.838   1.497
  111   2HD1  LEU  10          2HD1      LEU  10   5.645   1.237   3.140
  112   3HD1  LEU  10          3HD1      LEU  10   5.712   0.121   1.776
  113   1HD2  LEU  10          1HD2      LEU  10   7.661  -0.352   3.272
  114   2HD2  LEU  10          2HD2      LEU  10   9.178   0.454   2.874
  115   3HD2  LEU  10          3HD2      LEU  10   8.371  -0.550   1.670
  116    H    GLY  11           H        GLY  11   8.948   4.869  -0.095
  117   1HA   GLY  11          2HA       GLY  11  10.356   4.177  -2.424
  118   2HA   GLY  11          1HA       GLY  11   9.088   5.311  -2.862
  Start of MODEL   19
    1   1H    ARG   1          1HT       ARG   1  -8.175  -1.148   5.064
    2   2H    ARG   1          2HT       ARG   1  -9.093  -0.375   6.256
    3   3H    ARG   1          3HT       ARG   1  -7.656  -1.163   6.674
    4    HA   ARG   1           HA       ARG   1  -7.536   1.329   6.546
    5   1HB   ARG   1          2HB       ARG   1  -5.655  -0.436   6.375
    6   2HB   ARG   1          1HB       ARG   1  -5.669  -0.094   4.651
    7   1HG   ARG   1          2HG       ARG   1  -5.210   2.283   5.165
    8   2HG   ARG   1          1HG       ARG   1  -5.082   1.853   6.869
    9   1HD   ARG   1          2HD       ARG   1  -3.352   0.787   4.637
   10   2HD   ARG   1          1HD       ARG   1  -2.883   2.016   5.807
   11    HE   ARG   1           HE       ARG   1  -2.594   0.368   7.400
   12   1HH1  ARG   1          1HH1      ARG   1  -4.020  -0.993   4.522
   13   2HH1  ARG   1          2HH1      ARG   1  -3.824  -2.631   5.047
   14   1HH2  ARG   1          1HH2      ARG   1  -2.332  -1.788   8.091
   15   2HH2  ARG   1          2HH2      ARG   1  -2.868  -3.082   7.073
   16    H    ARG   2           H        ARG   2  -5.983   1.890   3.940
   17    HA   ARG   2           HA       ARG   2  -8.160   3.170   2.581
   18   1HB   ARG   2          2HB       ARG   2  -5.948   4.238   2.787
   19   2HB   ARG   2          1HB       ARG   2  -5.240   2.953   1.817
   20   1HG   ARG   2          2HG       ARG   2  -6.639   3.629  -0.081
   21   2HG   ARG   2          1HG       ARG   2  -7.310   4.937   0.895
   22   1HD   ARG   2          2HD       ARG   2  -5.072   5.900   1.134
   23   2HD   ARG   2          1HD       ARG   2  -4.405   4.594   0.156
   24    HE   ARG   2           HE       ARG   2  -5.001   5.800  -1.674
   25   1HH1  ARG   2          1HH1      ARG   2  -7.138   6.693   0.935
   26   2HH1  ARG   2          2HH1      ARG   2  -8.008   7.858  -0.008
   27   1HH2  ARG   2          1HH2      ARG   2  -6.141   7.329  -2.915
   28   2HH2  ARG   2          2HH2      ARG   2  -7.441   8.220  -2.195
   29    H    TRP   3           H        TRP   3  -6.073   0.403   2.013
   30    HA   TRP   3           HA       TRP   3  -7.941  -0.827   0.263
   31   1HB   TRP   3          2HB       TRP   3  -6.425  -0.884  -1.749
   32   2HB   TRP   3          1HB       TRP   3  -7.131   0.688  -1.409
   33    HD1  TRP   3           HD       TRP   3  -4.289   0.069   0.900
   34    HE1  TRP   3           1HE      TRP   3  -2.215   1.363   0.096
   35    HE3  TRP   3           3HE      TRP   3  -5.890   1.340  -3.784
   36    HZ2  TRP   3           2HZ      TRP   3  -1.381   2.729  -2.213
   37    HZ3  TRP   3           3HZ      TRP   3  -4.382   2.636  -5.231
   38    HH2  TRP   3           HH       TRP   3  -2.170   3.320  -4.460
   39    H    GLN   4           H        GLN   4  -5.273  -1.912  -1.097
   40    HA   GLN   4           HA       GLN   4  -4.162  -3.477   1.062
   41   1HB   GLN   4          2HB       GLN   4  -4.669  -5.643  -0.059
   42   2HB   GLN   4          1HB       GLN   4  -6.096  -4.826   0.562
   43   1HG   GLN   4          2HG       GLN   4  -6.587  -4.002  -1.698
   44   2HG   GLN   4          1HG       GLN   4  -5.183  -4.879  -2.305
   45   1HE2  GLN   4          1HE2      GLN   4  -5.669  -6.727  -3.229
   46   2HE2  GLN   4          2HE2      GLN   4  -6.984  -7.766  -2.814
   47    H    TRP   5           H        TRP   5  -2.739  -1.729  -0.132
   48    HA   TRP   5           HA       TRP   5  -1.566  -2.240  -2.607
   49   1HB   TRP   5          2HB       TRP   5   0.283  -0.789  -1.785
   50   2HB   TRP   5          1HB       TRP   5  -1.313  -0.102  -1.510
   51    HD1  TRP   5           HD       TRP   5  -2.241  -0.980   1.181
   52    HE1  TRP   5           1HE      TRP   5  -0.924  -0.579   3.355
   53    HE3  TRP   5           3HE      TRP   5   2.426  -0.321  -0.802
   54    HZ2  TRP   5           2HZ      TRP   5   1.736  -0.048   4.128
   55    HZ3  TRP   5           3HZ      TRP   5   4.300   0.133   0.724
   56    HH2  TRP   5           HH       TRP   5   3.961   0.268   3.138
   57    H    ARG   6           H        ARG   6   1.268  -2.165  -1.750
   58    HA   ARG   6           HA       ARG   6   1.694  -4.824  -0.625
   59   1HB   ARG   6          2HB       ARG   6   2.672  -4.004  -3.365
   60   2HB   ARG   6          1HB       ARG   6   3.229  -5.428  -2.500
   61   1HG   ARG   6          2HG       ARG   6   0.375  -4.927  -3.319
   62   2HG   ARG   6          1HG       ARG   6   1.526  -5.922  -4.212
   63   1HD   ARG   6          2HD       ARG   6   1.763  -7.384  -2.253
   64   2HD   ARG   6          1HD       ARG   6   0.592  -6.394  -1.382
   65    HE   ARG   6           HE       ARG   6  -0.579  -7.255  -3.773
   66   1HH1  ARG   6          1HH1      ARG   6   0.541  -8.564  -0.744
   67   2HH1  ARG   6          2HH1      ARG   6  -0.581  -9.883  -0.752
   68   1HH2  ARG   6          1HH2      ARG   6  -2.060  -8.987  -3.790
   69   2HH2  ARG   6          2HH2      ARG   6  -2.061 -10.123  -2.482
   70    H    MET   7           H        MET   7   3.525  -2.271  -2.337
   71    HA   MET   7           HA       MET   7   4.937  -1.413  -0.060
   72   1HB   MET   7          2HB       MET   7   7.171  -2.333  -0.578
   73   2HB   MET   7          1HB       MET   7   6.016  -3.581  -0.132
   74   1HG   MET   7          2HG       MET   7   5.711  -4.151  -2.482
   75   2HG   MET   7          1HG       MET   7   6.853  -2.888  -2.938
   76   1HE   MET   7          1HE       MET   7   7.795  -6.809  -0.767
   77   2HE   MET   7          2HE       MET   7   6.252  -5.958  -0.825
   78   3HE   MET   7          3HE       MET   7   7.523  -5.406   0.265
   79    H    LYS   8           H        LYS   8   3.626  -0.339  -2.401
   80    HA   LYS   8           HA       LYS   8   5.748   0.789  -4.028
   81   1HB   LYS   8          2HB       LYS   8   3.948   1.891  -5.266
   82   2HB   LYS   8          1HB       LYS   8   3.633   0.169  -5.099
   83   1HG   LYS   8          2HG       LYS   8   2.055   0.624  -3.295
   84   2HG   LYS   8          1HG       LYS   8   2.387   2.351  -3.437
   85   1HD   LYS   8          2HD       LYS   8   1.229   0.604  -5.608
   86   2HD   LYS   8          1HD       LYS   8   0.311   1.709  -4.583
   87   1HE   LYS   8          2HE       LYS   8   1.600   3.593  -5.462
   88   2HE   LYS   8          1HE       LYS   8   2.526   2.490  -6.479
   89   1HZ   LYS   8          1HZ       LYS   8   0.690   2.064  -7.818
   90   2HZ   LYS   8          2HZ       LYS   8   0.567   3.725  -7.520
   91   3HZ   LYS   8          3HZ       LYS   8  -0.417   2.640  -6.676
   92    H    LYS   9           H        LYS   9   3.452   1.805  -1.562
   93    HA   LYS   9           HA       LYS   9   3.992   4.557  -1.608
   94   1HB   LYS   9          2HB       LYS   9   2.048   3.642  -0.466
   95   2HB   LYS   9          1HB       LYS   9   3.084   2.790   0.670
   96   1HG   LYS   9          2HG       LYS   9   3.886   4.929   1.542
   97   2HG   LYS   9          1HG       LYS   9   2.842   5.779   0.402
   98   1HD   LYS   9          2HD       LYS   9   1.806   5.684   2.603
   99   2HD   LYS   9          1HD       LYS   9   0.876   4.739   1.438
  100   1HE   LYS   9          2HE       LYS   9   1.092   3.569   3.574
  101   2HE   LYS   9          1HE       LYS   9   1.891   2.688   2.272
  102   1HZ   LYS   9          1HZ       LYS   9   3.958   3.144   3.110
  103   2HZ   LYS   9          2HZ       LYS   9   3.074   3.047   4.548
  104   3HZ   LYS   9          3HZ       LYS   9   3.467   4.558   3.898
  105    H    LEU  10           H        LEU  10   5.431   1.933   0.279
  106    HA   LEU  10           HA       LEU  10   7.144   3.504   1.849
  107   1HB   LEU  10          2HB       LEU  10   6.650   1.171   2.362
  108   2HB   LEU  10          1HB       LEU  10   7.472   0.657   0.901
  109    HG   LEU  10           HG       LEU  10   9.604   1.497   1.816
  110   1HD1  LEU  10          1HD1      LEU  10   9.673   2.890   3.536
  111   2HD1  LEU  10          2HD1      LEU  10   8.878   1.699   4.565
  112   3HD1  LEU  10          3HD1      LEU  10   7.912   2.841   3.631
  113   1HD2  LEU  10          1HD2      LEU  10   8.197  -0.794   2.537
  114   2HD2  LEU  10          2HD2      LEU  10   8.873  -0.180   4.046
  115   3HD2  LEU  10          3HD2      LEU  10   9.933  -0.523   2.679
  116    H    GLY  11           H        GLY  11   7.710   1.853  -1.247
  117   1HA   GLY  11          2HA       GLY  11  10.414   2.597  -1.525
  118   2HA   GLY  11          1HA       GLY  11   9.345   2.123  -2.836
  Start of MODEL   20
    1   1H    ARG   1          1HT       ARG   1  -9.090   0.322   6.841
    2   2H    ARG   1          2HT       ARG   1  -8.013  -0.476   7.871
    3   3H    ARG   1          3HT       ARG   1  -8.606  -1.262   6.496
    4    HA   ARG   1           HA       ARG   1  -6.615   0.891   6.692
    5   1HB   ARG   1          2HB       ARG   1  -5.947  -1.502   6.645
    6   2HB   ARG   1          1HB       ARG   1  -6.750  -1.674   5.095
    7   1HG   ARG   1          2HG       ARG   1  -4.454  -1.464   4.641
    8   2HG   ARG   1          1HG       ARG   1  -5.196   0.074   4.198
    9   1HD   ARG   1          2HD       ARG   1  -3.909  -0.405   6.872
   10   2HD   ARG   1          1HD       ARG   1  -3.013   0.179   5.475
   11    HE   ARG   1           HE       ARG   1  -5.199   1.854   5.781
   12   1HH1  ARG   1          1HH1      ARG   1  -2.360   0.954   7.584
   13   2HH1  ARG   1          2HH1      ARG   1  -2.222   2.485   8.381
   14   1HH2  ARG   1          1HH2      ARG   1  -5.029   3.876   6.829
   15   2HH2  ARG   1          2HH2      ARG   1  -3.739   4.145   7.954
   16    H    ARG   2           H        ARG   2  -6.121   2.163   4.895
   17    HA   ARG   2           HA       ARG   2  -8.179   3.164   3.367
   18   1HB   ARG   2          2HB       ARG   2  -6.008   4.284   3.697
   19   2HB   ARG   2          1HB       ARG   2  -5.237   3.097   2.660
   20   1HG   ARG   2          2HG       ARG   2  -7.486   4.762   1.614
   21   2HG   ARG   2          1HG       ARG   2  -5.854   5.424   1.715
   22   1HD   ARG   2          2HD       ARG   2  -5.033   3.536   0.366
   23   2HD   ARG   2          1HD       ARG   2  -6.683   2.931   0.232
   24    HE   ARG   2           HE       ARG   2  -6.955   4.378  -1.494
   25   1HH1  ARG   2          1HH1      ARG   2  -4.528   5.699   0.632
   26   2HH1  ARG   2          2HH1      ARG   2  -4.251   7.100  -0.350
   27   1HH2  ARG   2          1HH2      ARG   2  -6.592   6.215  -2.789
   28   2HH2  ARG   2          2HH2      ARG   2  -5.422   7.392  -2.292
   29    H    TRP   3           H        TRP   3  -6.087   0.435   2.729
   30    HA   TRP   3           HA       TRP   3  -7.899  -0.709   0.886
   31   1HB   TRP   3          2HB       TRP   3  -6.358  -0.702  -1.106
   32   2HB   TRP   3          1HB       TRP   3  -7.075   0.855  -0.725
   33    HD1  TRP   3           HD       TRP   3  -4.310   0.316   1.637
   34    HE1  TRP   3           1HE      TRP   3  -2.190   1.531   0.837
   35    HE3  TRP   3           3HE      TRP   3  -5.724   1.342  -3.165
   36    HZ2  TRP   3           2HZ      TRP   3  -1.248   2.739  -1.515
   37    HZ3  TRP   3           3HZ      TRP   3  -4.145   2.531  -4.630
   38    HH2  TRP   3           HH       TRP   3  -1.948   3.218  -3.818
   39    H    GLN   4           H        GLN   4  -5.482  -1.966  -0.553
   40    HA   GLN   4           HA       GLN   4  -4.345  -3.545   1.620
   41   1HB   GLN   4          2HB       GLN   4  -5.772  -4.791  -0.737
   42   2HB   GLN   4          1HB       GLN   4  -4.931  -5.658   0.541
   43   1HG   GLN   4          2HG       GLN   4  -6.526  -4.776   2.173
   44   2HG   GLN   4          1HG       GLN   4  -7.375  -3.940   0.879
   45   1HE2  GLN   4          1HE2      GLN   4  -6.289  -6.749  -0.426
   46   2HE2  GLN   4          2HE2      GLN   4  -7.675  -7.746  -0.166
   47    H    TRP   5           H        TRP   5  -2.826  -1.807   0.460
   48    HA   TRP   5           HA       TRP   5  -1.627  -2.455  -1.995
   49   1HB   TRP   5          2HB       TRP   5   0.172  -0.932  -1.277
   50   2HB   TRP   5          1HB       TRP   5  -1.420  -0.251  -0.970
   51    HD1  TRP   5           HD       TRP   5  -2.273  -0.834   1.766
   52    HE1  TRP   5           1HE      TRP   5  -0.859  -0.419   3.879
   53    HE3  TRP   5           3HE      TRP   5   2.377  -0.702  -0.368
   54    HZ2  TRP   5           2HZ      TRP   5   1.863  -0.078   4.551
   55    HZ3  TRP   5           3HZ      TRP   5   4.330  -0.326   1.080
   56    HH2  TRP   5           HH       TRP   5   4.078  -0.022   3.486
   57    H    ARG   6           H        ARG   6   1.191  -2.296  -0.838
   58    HA   ARG   6           HA       ARG   6   1.665  -4.695   0.594
   59   1HB   ARG   6          2HB       ARG   6   2.784  -5.949  -1.247
   60   2HB   ARG   6          1HB       ARG   6   1.041  -5.812  -1.437
   61   1HG   ARG   6          2HG       ARG   6   1.458  -3.888  -2.988
   62   2HG   ARG   6          1HG       ARG   6   3.176  -4.290  -2.910
   63   1HD   ARG   6          2HD       ARG   6   2.178  -5.295  -4.875
   64   2HD   ARG   6          1HD       ARG   6   2.662  -6.550  -3.736
   65    HE   ARG   6           HE       ARG   6  -0.008  -5.918  -3.232
   66   1HH1  ARG   6          1HH1      ARG   6   1.917  -7.338  -5.769
   67   2HH1  ARG   6          2HH1      ARG   6   0.633  -8.341  -6.356
   68   1HH2  ARG   6          1HH2      ARG   6  -1.701  -7.233  -4.001
   69   2HH2  ARG   6          2HH2      ARG   6  -1.424  -8.280  -5.352
   70    H    MET   7           H        MET   7   3.116  -2.606  -1.905
   71    HA   MET   7           HA       MET   7   5.042  -1.514  -0.172
   72   1HB   MET   7          2HB       MET   7   7.075  -2.553  -1.085
   73   2HB   MET   7          1HB       MET   7   6.065  -3.721  -0.249
   74   1HG   MET   7          2HG       MET   7   5.245  -4.573  -2.356
   75   2HG   MET   7          1HG       MET   7   6.153  -3.344  -3.234
   76   1HE   MET   7          1HE       MET   7   6.728  -5.454  -0.227
   77   2HE   MET   7          2HE       MET   7   8.319  -6.182  -0.452
   78   3HE   MET   7          3HE       MET   7   6.889  -6.959  -1.133
   79    H    LYS   8           H        LYS   8   3.192  -0.661  -2.185
   80    HA   LYS   8           HA       LYS   8   4.785   0.149  -4.469
   81   1HB   LYS   8          2HB       LYS   8   2.429  -0.478  -4.786
   82   2HB   LYS   8          1HB       LYS   8   1.934   0.825  -3.714
   83   1HG   LYS   8          2HG       LYS   8   1.600   1.482  -6.003
   84   2HG   LYS   8          1HG       LYS   8   2.892   2.454  -5.292
   85   1HD   LYS   8          2HD       LYS   8   4.559   1.002  -6.354
   86   2HD   LYS   8          1HD       LYS   8   3.261   0.045  -7.073
   87   1HE   LYS   8          2HE       LYS   8   2.479   2.042  -8.275
   88   2HE   LYS   8          1HE       LYS   8   3.808   2.968  -7.580
   89   1HZ   LYS   8          1HZ       LYS   8   4.546   2.342  -9.686
   90   2HZ   LYS   8          2HZ       LYS   8   3.943   0.768  -9.550
   91   3HZ   LYS   8          3HZ       LYS   8   5.298   1.235  -8.652
   92    H    LYS   9           H        LYS   9   3.174   1.633  -1.699
   93    HA   LYS   9           HA       LYS   9   4.462   4.195  -2.286
   94   1HB   LYS   9          2HB       LYS   9   2.999   5.052  -0.450
   95   2HB   LYS   9          1HB       LYS   9   2.117   4.360  -1.805
   96   1HG   LYS   9          2HG       LYS   9   1.815   2.283  -0.530
   97   2HG   LYS   9          1HG       LYS   9   2.663   3.014   0.834
   98   1HD   LYS   9          2HD       LYS   9   0.951   4.712   1.035
   99   2HD   LYS   9          1HD       LYS   9   0.131   4.097  -0.401
  100   1HE   LYS   9          2HE       LYS   9  -0.284   1.976   0.750
  101   2HE   LYS   9          1HE       LYS   9   0.542   2.591   2.182
  102   1HZ   LYS   9          1HZ       LYS   9  -1.968   2.716   2.172
  103   2HZ   LYS   9          2HZ       LYS   9  -1.820   3.948   1.023
  104   3HZ   LYS   9          3HZ       LYS   9  -1.151   4.146   2.564
  105    H    LEU  10           H        LEU  10   6.144   2.082  -1.458
  106    HA   LEU  10           HA       LEU  10   6.687   2.135   1.314
  107   1HB   LEU  10          2HB       LEU  10   7.465   0.326  -0.117
  108   2HB   LEU  10          1HB       LEU  10   8.482   1.441  -1.011
  109    HG   LEU  10           HG       LEU  10   9.851   1.810   1.000
  110   1HD1  LEU  10          1HD1      LEU  10   7.926  -0.147   2.226
  111   2HD1  LEU  10          2HD1      LEU  10   8.323   1.481   2.772
  112   3HD1  LEU  10          3HD1      LEU  10   9.517   0.191   2.906
  113   1HD2  LEU  10          1HD2      LEU  10   9.991  -0.251  -0.697
  114   2HD2  LEU  10          2HD2      LEU  10   9.771  -1.139   0.810
  115   3HD2  LEU  10          3HD2      LEU  10  11.126  -0.024   0.633
  116    H    GLY  11           H        GLY  11   7.850   3.485   2.547
  117   1HA   GLY  11          2HA       GLY  11   9.990   5.079   1.721
  118   2HA   GLY  11          1HA       GLY  11   8.535   6.056   1.602