*HEADER    DNA BINDING PROTEIN                     27-JUN-02   1M36              
*TITLE     SOLUTION STRUCTURE OF A CCHC ZINC FINGER FROM MOZ                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MONOCYTIC LEUKEMIA ZINC FINGER PROTEIN;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 3-33;                                             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: MOZ;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    ZINC FINGER, ACETYL TRANSFERASE                                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.H.Y.KWAN, D.A.GELL, C.K.LIEW, J.P.MACKAY                            
*REVDAT   1   27-JAN-04 1M36    0                                                

 ASSI {    2}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.51845E-02 ppm1      5.105 ppm2      9.202 CV     1
 ASSI {    3}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.000     1.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.30154E-02 ppm1      2.607 ppm2      9.202 CV     1
 ASSI {    4}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.62191E-02 ppm1      2.204 ppm2      9.202 CV     1
 ASSI {    6}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.34573E-02 ppm1      1.901 ppm2      9.202 CV     1
 ASSI {    7}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.500     0.800     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.65492E-02 ppm1      5.104 ppm2      2.034 CV     1
 ASSI {    8}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.300     0.600     0.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.13207E-01 ppm1      5.104 ppm2      1.891 CV     1
 ASSI {    9}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.000     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.23178E-02 ppm1      5.104 ppm2      2.198 CV     1
 ASSI {   10}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
      3.100     1.200     1.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.17641E-02 ppm1      5.104 ppm2      2.604 CV     1
 ASSI {   11}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.610 ppm2      2.198 CV     1
 ASSI {   12}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.500     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.610 ppm2      2.035 CV     1
 ASSI {   13}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.64656E-02 ppm1      2.605 ppm2      1.889 CV     1
 ASSI {   14}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.500     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.205 ppm2      2.034 CV     1
 ASSI {   15}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.38255E-02 ppm1      2.208 ppm2      1.892 CV     1
 ASSI {   16}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.200     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.13703E-01 ppm1      2.042 ppm2      1.891 CV     1
 ASSI {   17}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.10148E-01 ppm1      4.546 ppm2      9.023 CV     1
 ASSI {   18}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     2.400     3.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.98011E-02 ppm1      3.483 ppm2      9.023 CV     1
 ASSI {   19}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.76482E-02 ppm1      3.043 ppm2      9.024 CV     1
 ASSI {   20}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      3.000     1.200     1.200 peak    20 spectrum    1 weight  0.10000E+01 volume  0.21429E-02 ppm1      4.556 ppm2      3.480 CV     1
 ASSI {   21}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.100     1.200     1.200 peak    21 spectrum    1 weight  0.10000E+01 volume  0.20268E-02 ppm1      4.553 ppm2      3.039 CV     1
 ASSI {   22}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.000     0.500     0.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.23851E-01 ppm1      3.487 ppm2      3.037 CV     1
 ASSI {   23}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.272 ppm2      8.856 CV     1
 ASSI {   24}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.711 ppm2      8.856 CV     1
 ASSI {   25}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.378 ppm2      8.857 CV     1
 ASSI {   26}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.261 ppm2      3.704 CV     1
 ASSI {   27}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.300     0.700     0.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.11947E-01 ppm1      4.264 ppm2      3.369 CV     1
 ASSI {   28}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.000     0.500     0.500 peak    28 spectrum    1 weight  0.10000E+01 volume  0.28978E-01 ppm1      3.714 ppm2      3.371 CV     1
 ASSI {   29}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.041 ppm2      8.840 CV     1
 ASSI {   30}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.32802E-02 ppm1      3.200 ppm2      8.840 CV     1
 ASSI {   31}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     2.400     3.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.95957E-02 ppm1      3.082 ppm2      8.840 CV     1
 ASSI {   32}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.249 ppm2      8.843 CV     1
 ASSI {   33}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG3 ))
      2.800     1.000     1.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.35224E-02 ppm1      4.037 ppm2      3.204 CV     1
 ASSI {   34}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.600     0.900     0.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.50712E-02 ppm1      4.037 ppm2      3.081 CV     1
 ASSI {   35}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.037 ppm2      2.248 CV     1
 ASSI {   36}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.800     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.36853E-02 ppm1      3.206 ppm2      2.249 CV     1
 ASSI {   38}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HG2 ))
      2.400     0.700     0.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.94257E-02 ppm1      3.201 ppm2      3.075 CV     1
 ASSI {   42}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.49027E-02 ppm1      4.026 ppm2      8.312 CV     1
 ASSI {   43}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.568 ppm2      8.312 CV     1
 ASSI {   45}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.66943E-02 ppm1      1.092 ppm2      8.312 CV     1
 ASSI {   46}
   (( segid "    " and resid 9    and name HG  ))
   (( segid "    " and resid 9    and name HN  ))
      3.500     1.500     1.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.10162E-02 ppm1      0.877 ppm2      8.312 CV     1
 ASSI {   47}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 9    and name HN  ))
      2.800     2.800     3.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.32427E-02 ppm1      0.624 ppm2      8.311 CV     1
 ASSI {   48}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak    48 spectrum    1 weight  0.10000E+01 volume  0.18632E-02 ppm1     -0.133 ppm2      8.312 CV     1
 ASSI {   49}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.021 ppm2      1.552 CV     1
 ASSI {   50}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.74358E-02 ppm1      4.022 ppm2      1.087 CV     1
 ASSI {   51}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG  ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      0.871 CV     1
 ASSI {   52}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HD2%)
      3.000     1.200     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.22045E-02 ppm1      4.017 ppm2      0.617 CV     1
 ASSI {   54}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 9    and name HD1%)
      2.200     2.200     3.800 peak    54 spectrum    1 weight  0.10000E+01 volume  0.15679E-01 ppm1      1.561 ppm2     -0.138 CV     1
 ASSI {   55}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 9    and name HD1%)
      2.300     0.700     0.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.11394E-01 ppm1      1.099 ppm2     -0.138 CV     1
 ASSI {   56}
   (  segid "    " and resid 9    and name HD2%)
   (  segid "    " and resid 9    and name HD1%)
      1.900     0.500     0.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.31797E-01 ppm1      0.629 ppm2     -0.135 CV     1
 ASSI {   57}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 9    and name HD1%)
      2.100     0.500     0.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.21705E-01 ppm1      0.883 ppm2     -0.140 CV     1
 ASSI {   58}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 9    and name HD2%)
      2.100     0.600     0.600 peak    58 spectrum    1 weight  0.10000E+01 volume  0.18427E-01 ppm1      1.561 ppm2      0.617 CV     1
 ASSI {   59}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.561 ppm2      1.088 CV     1
 ASSI {   62}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 9    and name HD2%)
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.24149E-01 ppm1      0.872 ppm2      0.617 CV     1
 ASSI {   63}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HG  ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.557 ppm2      0.872 CV     1
 ASSI {   67}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak    67 spectrum    1 weight  0.10000E+01 volume  0.11501E-01 ppm1      4.300 ppm2      8.625 CV     1
 ASSI {   68}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.026 ppm2      8.623 CV     1
 OR {   68}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {   69}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.949 ppm2      8.624 CV     1
 ASSI {   70}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.857 ppm2      8.624 CV     1
 ASSI {   71}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.20912E-02 ppm1      1.706 ppm2      8.624 CV     1
 OR {   71}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {   72}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     2.900     3.100 peak    72 spectrum    1 weight  0.10000E+01 volume  0.26847E-02 ppm1      1.561 ppm2      8.624 CV     1
 ASSI {   73}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.500     1.500 peak    73 spectrum    1 weight  0.10000E+01 volume  0.10481E-02 ppm1      1.502 ppm2      8.624 CV     1
 ASSI {   74}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.500     0.800     0.800 peak    74 spectrum    1 weight  0.10000E+01 volume  0.65789E-02 ppm1      4.300 ppm2      1.943 CV     1
 ASSI {   75}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.700     0.900     0.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.48368E-02 ppm1      4.300 ppm2      1.848 CV     1
 ASSI {   76}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HD2 ))
      6.000     4.500     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.302 ppm2      1.701 CV     1
 OR {   76}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HD3 ))
 ASSI {   77}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG3 ))
      3.500     1.500     1.500 peak    77 spectrum    1 weight  0.10000E+01 volume  0.90858E-03 ppm1      4.300 ppm2      1.554 CV     1
 ASSI {   78}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG2 ))
      3.100     1.200     1.200 peak    78 spectrum    1 weight  0.10000E+01 volume  0.19808E-02 ppm1      4.300 ppm2      1.494 CV     1
 ASSI {   79}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HB3 ))
      6.000     4.500     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.027 ppm2      1.944 CV     1
 OR {   79}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {   93}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 18   and name HG2 ))
      6.000     4.500     0.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.565 ppm2      1.494 CV     1
 ASSI {   94}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.18469E-02 ppm1      4.545 ppm2      8.562 CV     1
 ASSI {   95}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     2.600     3.400 peak    95 spectrum    1 weight  0.10000E+01 volume  0.60407E-02 ppm1      2.825 ppm2      8.559 CV     1
 ASSI {   96}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak    96 spectrum    1 weight  0.10000E+01 volume  0.90150E-02 ppm1      2.714 ppm2      8.559 CV     1
 ASSI {   97}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.48963E-02 ppm1      2.829 ppm2      2.704 CV     1
 ASSI {   99}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.800     1.000     1.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.34105E-02 ppm1      4.550 ppm2      2.706 CV     1
 ASSI {  100}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.500     0.800     0.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.63410E-02 ppm1      4.547 ppm2      2.820 CV     1
 ASSI {  101}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.200     1.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.20487E-02 ppm1      4.371 ppm2      8.542 CV     1
 ASSI {  102}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.191 ppm2      8.542 CV     1
 OR {  102}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  103}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.848 ppm2      8.542 CV     1
 ASSI {  104}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.753 ppm2      8.542 CV     1
 ASSI {  105}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.635 ppm2      8.542 CV     1
 OR {  105}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  106}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HD3 ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.374 ppm2      3.187 CV     1
 OR {  106}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HD2 ))
 ASSI {  107}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG3 ))
      6.000     4.500     0.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.369 ppm2      1.845 CV     1
 ASSI {  108}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG2 ))
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.373 ppm2      1.747 CV     1
 ASSI {  109}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.373 ppm2      1.630 CV     1
 OR {  109}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
 ASSI {  110}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HG3 ))
      6.000     4.500     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.197 ppm2      1.846 CV     1
 OR {  110}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 3    and name HG3 ))
 ASSI {  111}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 3    and name HG2 ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      1.747 CV     1
 OR {  111}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HG2 ))
 ASSI {  112}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 3    and name HB3 ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      1.630 CV     1
 OR {  112}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  112}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HB3 ))
 ASSI {  113}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HG2 ))
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.829 ppm2      1.747 CV     1
 ASSI {  114}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HB3 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.829 ppm2      1.630 CV     1
 OR {  114}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {  115}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     4.500     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.748 ppm2      1.622 CV     1
 OR {  115}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HB3 ))
 ASSI {  116}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HE  ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.634 ppm2      7.204 CV     1
 OR {  116}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HE  ))
 ASSI {  117}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HE  ))
      6.000     4.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.749 ppm2      7.204 CV     1
 ASSI {  118}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HE  ))
      6.000     4.500     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.848 ppm2      7.204 CV     1
 ASSI {  119}
   (( segid "    " and resid 3    and name HD3 ))
   (( segid "    " and resid 3    and name HE  ))
      6.000     4.500     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.201 ppm2      7.205 CV     1
 OR {  119}
   (( segid "    " and resid 3    and name HD2 ))
   (( segid "    " and resid 3    and name HE  ))
 ASSI {  120}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HE  ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      7.202 CV     1
 ASSI {  121}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.600     1.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.89725E-03 ppm1      3.356 ppm2      8.516 CV     1
 ASSI {  122}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.77049E-03 ppm1      3.144 ppm2      8.517 CV     1
 OR {  122}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  125}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.92770E-02 ppm1      1.653 ppm2      8.518 CV     1
 ASSI {  126}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.72587E-02 ppm1      1.547 ppm2      8.516 CV     1
 ASSI {  127}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.32661E-02 ppm1      1.405 ppm2      8.517 CV     1
 OR {  127}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  128}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HE  ))
      3.800     1.800     1.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.60761E-03 ppm1      1.398 ppm2      7.268 CV     1
 OR {  128}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HE  ))
 ASSI {  129}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HE  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.541 ppm2      7.269 CV     1
 ASSI {  130}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HE  ))
      6.000     4.500     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      7.268 CV     1
 ASSI {  131}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HE  ))
      6.000     4.500     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.146 ppm2      7.268 CV     1
 OR {  131}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HE  ))
 ASSI {  132}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HE  ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.343 ppm2      7.266 CV     1
 ASSI {  133}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD2 ))
      6.000     4.500     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.358 ppm2      3.129 CV     1
 OR {  133}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD3 ))
 ASSI {  134}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      2.600     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.51491E-02 ppm1      3.354 ppm2      1.400 CV     1
 OR {  134}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  135}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.400     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.87601E-02 ppm1      3.351 ppm2      1.538 CV     1
 ASSI {  136}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.500     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.77190E-02 ppm1      3.351 ppm2      1.646 CV     1
 ASSI {  137}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.900     1.100     1.100 peak   137 spectrum    1 weight  0.10000E+01 volume  0.28971E-02 ppm1      3.146 ppm2      1.646 CV     1
 OR {  137}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HB3 ))
 ASSI {  138}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB2 ))
      3.000     1.100     1.100 peak   138 spectrum    1 weight  0.10000E+01 volume  0.25699E-02 ppm1      3.146 ppm2      1.537 CV     1
 OR {  138}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  139}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.100     0.500     0.500 peak   139 spectrum    1 weight  0.10000E+01 volume  0.22152E-01 ppm1      3.146 ppm2      1.399 CV     1
 OR {  139}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG3 ))
 OR {  139}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  140}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      1.535 CV     1
 ASSI {  141}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG3 ))
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      1.402 CV     1
 OR {  141}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  142}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
      6.000     4.500     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.547 ppm2      1.400 CV     1
 OR {  142}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  143}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.545 ppm2      8.512 CV     1
 ASSI {  144}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.313 ppm2      8.510 CV     1
 ASSI {  145}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.11536E-01 ppm1      2.430 ppm2      8.509 CV     1
 ASSI {  146}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.700     0.900     0.900 peak   146 spectrum    1 weight  0.10000E+01 volume  0.44940E-02 ppm1      4.538 ppm2      3.303 CV     1
 ASSI {  147}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.700     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.48701E-02 ppm1      4.532 ppm2      2.420 CV     1
 ASSI {  148}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.100     0.500     0.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.22421E-01 ppm1      3.308 ppm2      2.423 CV     1
 ASSI {  149}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HE3 ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      3.028 CV     1
 OR {  149}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HE2 ))
 ASSI {  150}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.028 ppm2      1.852 CV     1
 OR {  150}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  151}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HD3 ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.028 ppm2      1.702 CV     1
 OR {  151}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HD2 ))
 OR {  151}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HD3 ))
 ASSI {  152}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HG3 ))
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.027 ppm2      1.555 CV     1
 OR {  152}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HG3 ))
 ASSI {  153}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 18   and name HG2 ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.028 ppm2      1.494 CV     1
 OR {  153}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  172}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.600     1.600 peak   172 spectrum    1 weight  0.10000E+01 volume  0.87459E-03 ppm1      4.847 ppm2      8.419 CV     1
 ASSI {  173}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.846 ppm2      8.419 CV     1
 ASSI {  174}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.794 ppm2      8.419 CV     1
 ASSI {  175}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.500     0.800     0.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.79386E-02 ppm1      4.839 ppm2      2.837 CV     1
 ASSI {  176}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak   176 spectrum    1 weight  0.10000E+01 volume  0.46300E-02 ppm1      4.836 ppm2      2.777 CV     1
 ASSI {  177}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.74216E-02 ppm1      3.897 ppm2      8.399 CV     1
 ASSI {  178}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   178 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      1.915 ppm2      8.402 CV     1
 ASSI {  180}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   180 spectrum    1 weight  0.10000E+01 volume  0.18689E-02 ppm1      1.845 ppm2      8.402 CV     1
 ASSI {  181}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak   181 spectrum    1 weight  0.10000E+01 volume  0.69542E-03 ppm1      1.779 ppm2      8.402 CV     1
 ASSI {  182}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.680 ppm2      8.402 CV     1
 ASSI {  183}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
      3.200     1.300     1.300 peak   183 spectrum    1 weight  0.10000E+01 volume  0.15275E-02 ppm1      3.909 ppm2      1.911 CV     1
 ASSI {  195}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.012 ppm2      8.379 CV     1
 ASSI {  196}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     2.400     3.600 peak   196 spectrum    1 weight  0.10000E+01 volume  0.99852E-02 ppm1      2.546 ppm2      8.379 CV     1
 ASSI {  197}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   197 spectrum    1 weight  0.10000E+01 volume  0.24736E-02 ppm1      2.371 ppm2      8.379 CV     1
 ASSI {  198}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.200     2.200     3.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.17322E-01 ppm1      2.257 ppm2      8.379 CV     1
 ASSI {  199}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.100     2.100     3.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.22336E-01 ppm1      2.143 ppm2      8.379 CV     1
 ASSI {  200}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.016 ppm2      2.531 CV     1
 ASSI {  201}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      6.000     4.500     0.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.018 ppm2      2.367 CV     1
 ASSI {  202}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.018 ppm2      2.255 CV     1
 ASSI {  203}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.016 ppm2      2.137 CV     1
 ASSI {  204}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HG2 ))
      6.000     4.500     0.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.539 ppm2      2.368 CV     1
 ASSI {  205}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HB3 ))
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.537 ppm2      2.253 CV     1
 ASSI {  206}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HB2 ))
      6.000     4.500     0.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.539 ppm2      2.137 CV     1
 ASSI {  207}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HB3 ))
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.370 ppm2      2.254 CV     1
 ASSI {  208}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HB2 ))
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.372 ppm2      2.137 CV     1
 ASSI {  209}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HB2 ))
      6.000     4.500     0.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      2.136 CV     1
 ASSI {  210}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
      3.600     1.600     1.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.76412E-03 ppm1      4.587 ppm2      1.645 CV     1
 ASSI {  211}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.588 ppm2      1.549 CV     1
 ASSI {  212}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG  ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.588 ppm2      1.537 CV     1
 ASSI {  213}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HG  ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      1.524 CV     1
 ASSI {  214}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG  ))
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.569 ppm2      1.523 CV     1
 ASSI {  215}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.653 ppm2      1.565 CV     1
 ASSI {  217}
   (( segid "    " and resid 4    and name HG  ))
   (  segid "    " and resid 4    and name HD1%)
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.536 ppm2      0.902 CV     1
 OR {  217}
   (( segid "    " and resid 4    and name HG  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  218}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.572 ppm2      0.900 CV     1
 OR {  218}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  219}
   (( segid "    " and resid 4    and name HB3 ))
   (  segid "    " and resid 4    and name HD1%)
      6.000     4.500     0.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.653 ppm2      0.900 CV     1
 OR {  219}
   (( segid "    " and resid 4    and name HB3 ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  220}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      2.500     0.800     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.69436E-02 ppm1      4.589 ppm2      0.902 CV     1
 OR {  220}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  221}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.594 ppm2      8.290 CV     1
 ASSI {  222}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.650 ppm2      8.293 CV     1
 ASSI {  223}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.549 ppm2      8.293 CV     1
 ASSI {  224}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.536 ppm2      8.293 CV     1
 ASSI {  225}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.907 ppm2      8.293 CV     1
 OR {  225}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  226}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.77120E-02 ppm1      4.108 ppm2      8.260 CV     1
 ASSI {  227}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.886 ppm2      8.264 CV     1
 OR {  227}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  228}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.599 ppm2      8.260 CV     1
 OR {  228}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  229}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.581 ppm2      8.260 CV     1
 OR {  229}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  230}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   230 spectrum    1 weight  0.10000E+01 volume  0.15396E-02 ppm1      1.187 ppm2      8.260 CV     1
 ASSI {  231}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HN  ))
      3.300     1.400     1.400 peak   231 spectrum    1 weight  0.10000E+01 volume  0.12790E-02 ppm1      1.261 ppm2      8.260 CV     1
 ASSI {  232}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.275 ppm2      1.176 CV     1
 ASSI {  233}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.579 ppm2      1.176 CV     1
 OR {  233}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  234}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.582 ppm2      1.255 CV     1
 OR {  234}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI {  235}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.601 ppm2      1.176 CV     1
 OR {  235}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  236}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.604 ppm2      1.256 CV     1
 OR {  236}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI {  237}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HD3 ))
      6.000     4.500     0.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.601 ppm2      1.572 CV     1
 OR {  237}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HD2 ))
 OR {  237}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HD3 ))
 ASSI {  238}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.889 ppm2      1.177 CV     1
 OR {  238}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  239}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     4.500     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.887 ppm2      1.255 CV     1
 OR {  239}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI {  240}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HD3 ))
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.889 ppm2      1.571 CV     1
 OR {  240}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HD2 ))
 OR {  240}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HD3 ))
 ASSI {  241}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     4.500     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.889 ppm2      1.595 CV     1
 OR {  241}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HB2 ))
 OR {  241}
   (( segid "    " and resid 6    and name HE2 ))
   (( segid "    " and resid 6    and name HB3 ))
 OR {  241}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  242}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.500     0.800     0.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.63898E-02 ppm1      4.114 ppm2      1.595 CV     1
 OR {  242}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI {  243}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.114 ppm2      1.571 CV     1
 OR {  243}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD3 ))
 ASSI {  244}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG3 ))
      3.400     1.500     1.500 peak   244 spectrum    1 weight  0.10000E+01 volume  0.10757E-02 ppm1      4.107 ppm2      1.259 CV     1
 ASSI {  245}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.100     1.200     1.200 peak   245 spectrum    1 weight  0.10000E+01 volume  0.18823E-02 ppm1      4.107 ppm2      1.177 CV     1
 ASSI {  246}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HE3 ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.114 ppm2      2.883 CV     1
 OR {  246}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HE2 ))
 ASSI {  247}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.44246E-02 ppm1      4.868 ppm2      8.191 CV     1
 ASSI {  248}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak   248 spectrum    1 weight  0.10000E+01 volume  0.23016E-02 ppm1      3.206 ppm2      8.196 CV     1
 ASSI {  249}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.40507E-02 ppm1      2.669 ppm2      8.196 CV     1
 ASSI {  250}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
      2.000     0.500     0.500 peak   250 spectrum    1 weight  0.10000E+01 volume  0.26287E-01 ppm1      3.211 ppm2      2.664 CV     1
 ASSI {  251}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.600     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.55351E-02 ppm1      4.870 ppm2      2.670 CV     1
 ASSI {  252}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.200     0.600     0.600 peak   252 spectrum    1 weight  0.10000E+01 volume  0.16741E-01 ppm1      4.873 ppm2      3.205 CV     1
 ASSI {  253}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.000     0.500     0.500 peak   253 spectrum    1 weight  0.10000E+01 volume  0.29885E-01 ppm1      3.967 ppm2      8.063 CV     1
 ASSI {  254}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      3.100     1.200     1.200 peak   254 spectrum    1 weight  0.10000E+01 volume  0.20650E-02 ppm1      2.012 ppm2      8.060 CV     1
 ASSI {  255}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak   255 spectrum    1 weight  0.10000E+01 volume  0.43425E-02 ppm1      1.559 ppm2      8.059 CV     1
 ASSI {  256}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.41123E-02 ppm1      1.345 ppm2      8.059 CV     1
 ASSI {  257}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.100     1.100 peak   257 spectrum    1 weight  0.10000E+01 volume  0.28235E-02 ppm1      0.859 ppm2      8.062 CV     1
 ASSI {  258}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      2.400     2.400     3.600 peak   258 spectrum    1 weight  0.10000E+01 volume  0.91283E-02 ppm1      0.774 ppm2      8.058 CV     1
 ASSI {  259}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.700     0.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.10948E-01 ppm1      0.860 ppm2      0.767 CV     1
 ASSI {  260}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD1%)
      2.700     0.900     0.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.46307E-02 ppm1      1.347 ppm2      0.767 CV     1
 ASSI {  261}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
      2.400     0.700     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.90929E-02 ppm1      1.567 ppm2      0.767 CV     1
 ASSI {  262}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 14   and name HD1%)
      2.600     0.900     0.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.51073E-02 ppm1      2.019 ppm2      0.767 CV     1
 ASSI {  263}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 14   and name HD2%)
      2.300     0.600     0.600 peak   263 spectrum    1 weight  0.10000E+01 volume  0.12775E-01 ppm1      2.018 ppm2      0.852 CV     1
 ASSI {  264}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HG  ))
      2.200     2.200     3.800 peak   264 spectrum    1 weight  0.10000E+01 volume  0.14666E-01 ppm1      2.021 ppm2      1.335 CV     1
 ASSI {  265}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
      1.900     0.400     0.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.41895E-01 ppm1      2.020 ppm2      1.552 CV     1
 ASSI {  266}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.567 ppm2      0.854 CV     1
 ASSI {  267}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.568 ppm2      1.335 CV     1
 ASSI {  268}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD2%)
      2.300     0.700     0.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.10290E-01 ppm1      1.347 ppm2      0.849 CV     1
 ASSI {  269}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      0.770 CV     1
 ASSI {  270}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      0.854 CV     1
 ASSI {  271}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      2.700     0.900     0.900 peak   271 spectrum    1 weight  0.10000E+01 volume  0.45861E-02 ppm1      3.973 ppm2      1.333 CV     1
 ASSI {  272}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.300     0.700     0.700 peak   272 spectrum    1 weight  0.10000E+01 volume  0.10559E-01 ppm1      3.974 ppm2      1.556 CV     1
 ASSI {  273}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.000     1.200     1.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.21861E-02 ppm1      3.974 ppm2      2.011 CV     1
 ASSI {  274}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HD3 ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.388 ppm2      3.819 CV     1
 ASSI {  275}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HD2 ))
      6.000     4.500     0.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.388 ppm2      3.624 CV     1
 ASSI {  276}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HD2 ))
      1.900     0.500     0.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.35458E-01 ppm1      3.825 ppm2      3.624 CV     1
 ASSI {  277}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.300     0.600     0.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.13129E-01 ppm1      4.382 ppm2      2.250 CV     1
 ASSI {  278}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG3 ))
      3.200     1.300     1.300 peak   278 spectrum    1 weight  0.10000E+01 volume  0.16493E-02 ppm1      4.382 ppm2      1.984 CV     1
 OR {  278}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
 ASSI {  279}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      6.000     4.500     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      1.792 CV     1
 ASSI {  280}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HB3 ))
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.824 ppm2      2.252 CV     1
 ASSI {  281}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HB3 ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.626 ppm2      2.250 CV     1
 ASSI {  282}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HG3 ))
      2.100     0.600     0.600 peak   282 spectrum    1 weight  0.10000E+01 volume  0.19404E-01 ppm1      3.825 ppm2      1.982 CV     1
 ASSI {  283}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HG2 ))
      2.200     0.600     0.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.13979E-01 ppm1      3.626 ppm2      1.981 CV     1
 OR {  283}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HG3 ))
 ASSI {  284}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak   284 spectrum    1 weight  0.10000E+01 volume  0.20147E-02 ppm1      3.825 ppm2      1.792 CV     1
 ASSI {  285}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.000     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.29432E-02 ppm1      3.628 ppm2      1.793 CV     1
 ASSI {  286}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.99356E-02 ppm1      2.254 ppm2      1.799 CV     1
 ASSI {  287}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB2 ))
      6.000     4.500     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.988 ppm2      1.799 CV     1
 OR {  287}
   (( segid "    " and resid 5    and name HG3 ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  288}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HG3 ))
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.257 ppm2      1.983 CV     1
 ASSI {  299}
   (( segid "    " and resid 31   and name HA2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     0.700     0.700 peak   299 spectrum    1 weight  0.10000E+01 volume  0.10205E-01 ppm1      3.113 ppm2      7.931 CV     1
 ASSI {  300}
   (( segid "    " and resid 31   and name HA1 ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.11387E-01 ppm1      2.967 ppm2      7.931 CV     1
 ASSI {  301}
   (( segid "    " and resid 31   and name HA2 ))
   (( segid "    " and resid 31   and name HA1 ))
      2.800     1.000     1.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.33404E-02 ppm1      3.123 ppm2      2.963 CV     1
 ASSI {  302}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.10148E-01 ppm1      3.796 ppm2      7.568 CV     1
 ASSI {  303}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.10127E-01 ppm1      1.695 ppm2      7.570 CV     1
 ASSI {  304}
   (( segid "    " and resid 22   and name HG13))
   (( segid "    " and resid 22   and name HN  ))
      2.300     2.300     3.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.10509E-01 ppm1      1.516 ppm2      7.570 CV     1
 ASSI {  305}
   (( segid "    " and resid 22   and name HG12))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.158 ppm2      7.571 CV     1
 ASSI {  306}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.42943E-02 ppm1      1.076 ppm2      7.570 CV     1
 ASSI {  307}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   307 spectrum    1 weight  0.10000E+01 volume  0.46711E-02 ppm1      0.908 ppm2      7.572 CV     1
 ASSI {  308}
   (( segid "    " and resid 22   and name HB  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.693 ppm2      0.902 CV     1
 ASSI {  309}
   (( segid "    " and resid 22   and name HG13))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.511 ppm2      0.902 CV     1
 ASSI {  310}
   (( segid "    " and resid 22   and name HG12))
   (  segid "    " and resid 22   and name HD1%)
      2.600     0.800     0.800 peak   310 spectrum    1 weight  0.10000E+01 volume  0.55492E-02 ppm1      1.155 ppm2      0.899 CV     1
 ASSI {  311}
   (  segid "    " and resid 22   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
      2.500     0.800     0.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.62581E-02 ppm1      1.082 ppm2      0.898 CV     1
 ASSI {  312}
   (( segid "    " and resid 22   and name HB  ))
   (  segid "    " and resid 22   and name HG2%)
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.691 ppm2      1.066 CV     1
 ASSI {  313}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 22   and name HG12))
      6.000     4.500     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.693 ppm2      1.156 CV     1
 ASSI {  314}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 22   and name HG13))
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.693 ppm2      1.503 CV     1
 ASSI {  315}
   (( segid "    " and resid 22   and name HG13))
   (  segid "    " and resid 22   and name HG2%)
      6.000     4.500     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.511 ppm2      1.071 CV     1
 ASSI {  316}
   (( segid "    " and resid 22   and name HG13))
   (( segid "    " and resid 22   and name HG12))
      6.000     4.500     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.511 ppm2      1.156 CV     1
 ASSI {  317}
   (( segid "    " and resid 22   and name HG12))
   (  segid "    " and resid 22   and name HG2%)
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.165 ppm2      1.071 CV     1
 ASSI {  318}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.797 ppm2      0.903 CV     1
 ASSI {  319}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
      2.300     0.700     0.700 peak   319 spectrum    1 weight  0.10000E+01 volume  0.10601E-01 ppm1      3.795 ppm2      1.066 CV     1
 ASSI {  320}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG12))
      2.500     0.800     0.800 peak   320 spectrum    1 weight  0.10000E+01 volume  0.66851E-02 ppm1      3.797 ppm2      1.156 CV     1
 ASSI {  321}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG13))
      2.700     0.900     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.49303E-02 ppm1      3.797 ppm2      1.504 CV     1
 ASSI {  322}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB  ))
      2.700     0.900     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.46314E-02 ppm1      3.797 ppm2      1.686 CV     1
 ASSI {  323}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.13788E-01 ppm1      4.180 ppm2      7.999 CV     1
 ASSI {  324}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak   324 spectrum    1 weight  0.10000E+01 volume  0.15693E-01 ppm1      2.133 ppm2      8.005 CV     1
 ASSI {  329}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.686 ppm2      8.001 CV     1
 ASSI {  330}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.347 ppm2      8.005 CV     1
 ASSI {  331}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.018 ppm2      8.005 CV     1
 ASSI {  332}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.990 ppm2      8.005 CV     1
 ASSI {  333}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 23   and name HD1%)
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.018 ppm2      0.990 CV     1
 ASSI {  334}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
      6.000     4.500     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.350 ppm2      0.990 CV     1
 ASSI {  335}
   (( segid "    " and resid 23   and name HG  ))
   (  segid "    " and resid 23   and name HD1%)
      6.000     4.500     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.688 ppm2      0.987 CV     1
 ASSI {  336}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 23   and name HD1%)
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      0.988 CV     1
 ASSI {  337}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 23   and name HD2%)
      6.000     4.500     0.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.131 ppm2      1.011 CV     1
 ASSI {  338}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.100     0.600     0.600 peak   338 spectrum    1 weight  0.10000E+01 volume  0.18207E-01 ppm1      2.130 ppm2      1.340 CV     1
 ASSI {  339}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HG  ))
      6.000     4.500     0.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.130 ppm2      1.671 CV     1
 ASSI {  340}
   (( segid "    " and resid 23   and name HG  ))
   (  segid "    " and resid 23   and name HD2%)
      6.000     4.500     0.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.688 ppm2      1.012 CV     1
 ASSI {  341}
   (( segid "    " and resid 23   and name HG  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.688 ppm2      1.341 CV     1
 ASSI {  342}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 23   and name HD2%)
      6.000     4.500     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.349 ppm2      1.012 CV     1
 ASSI {  343}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.100     1.200     1.200 peak   343 spectrum    1 weight  0.10000E+01 volume  0.20353E-02 ppm1      4.178 ppm2      2.125 CV     1
 ASSI {  344}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG  ))
      2.900     1.100     1.100 peak   344 spectrum    1 weight  0.10000E+01 volume  0.26549E-02 ppm1      4.178 ppm2      1.671 CV     1
 ASSI {  345}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.500     0.800     0.800 peak   345 spectrum    1 weight  0.10000E+01 volume  0.74358E-02 ppm1      4.178 ppm2      1.341 CV     1
 ASSI {  346}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HD2%)
      6.000     4.500     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      1.009 CV     1
 ASSI {  347}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HD1%)
      6.000     4.500     0.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      0.982 CV     1
 ASSI {  348}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.006 ppm2      7.996 CV     1
 ASSI {  349}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.983 ppm2      7.996 CV     1
 ASSI {  350}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      2.300     0.600     0.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.13151E-01 ppm1      1.234 ppm2      7.993 CV     1
 ASSI {  351}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HG2%)
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.013 ppm2      1.220 CV     1
 ASSI {  352}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.986 ppm2      1.220 CV     1
 ASSI {  353}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.900     0.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.54274E-02 ppm1      4.060 ppm2      7.741 CV     1
 ASSI {  354}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   354 spectrum    1 weight  0.10000E+01 volume  0.24453E-02 ppm1      2.578 ppm2      7.741 CV     1
 ASSI {  355}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.100     1.100 peak   355 spectrum    1 weight  0.10000E+01 volume  0.27604E-02 ppm1      2.476 ppm2      7.743 CV     1
 ASSI {  356}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.218 ppm2      7.741 CV     1
 ASSI {  357}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      7.742 CV     1
 ASSI {  368}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.800     0.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.60513E-02 ppm1      4.372 ppm2      7.472 CV     1
 ASSI {  369}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.079 ppm2      7.474 CV     1
 ASSI {  370}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   370 spectrum    1 weight  0.10000E+01 volume  0.62893E-02 ppm1      2.889 ppm2      7.472 CV     1
 ASSI {  371}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.400     0.700     0.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.83210E-02 ppm1      4.375 ppm2      3.077 CV     1
 ASSI {  372}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700     0.900     0.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.41017E-02 ppm1      4.375 ppm2      2.882 CV     1
 ASSI {  373}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700     0.900     0.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.48531E-02 ppm1      3.082 ppm2      2.880 CV     1
 ASSI {  374}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     0.800     0.800 peak   374 spectrum    1 weight  0.10000E+01 volume  0.61398E-02 ppm1      4.505 ppm2      7.348 CV     1
 ASSI {  375}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.155 ppm2      7.352 CV     1
 ASSI {  376}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.035 ppm2      7.350 CV     1
 ASSI {  377}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.500     0.800     0.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.76057E-02 ppm1      4.508 ppm2      3.149 CV     1
 ASSI {  378}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.508 ppm2      3.035 CV     1
 ASSI {  379}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB3 ))
      6.000     4.500     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.038 ppm2      3.144 CV     1
 ASSI {  380}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.552 ppm2      7.240 CV     1
 ASSI {  381}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.300     1.400     1.400 peak   381 spectrum    1 weight  0.10000E+01 volume  0.12832E-02 ppm1      4.180 ppm2      7.242 CV     1
 ASSI {  382}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   382 spectrum    1 weight  0.10000E+01 volume  0.22237E-02 ppm1      3.845 ppm2      7.241 CV     1
 ASSI {  384}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.600     0.800     0.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.56632E-02 ppm1      4.553 ppm2      4.176 CV     1
 ASSI {  385}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.555 ppm2      3.838 CV     1
 ASSI {  386}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.000     0.500     0.500 peak   386 spectrum    1 weight  0.10000E+01 volume  0.25487E-01 ppm1      4.184 ppm2      3.838 CV     1
 ASSI {  387}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.005 ppm2      7.366 CV     1
 ASSI {  388}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.520 ppm2      7.369 CV     1
 ASSI {  389}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.300     0.700     0.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.11600E-01 ppm1      1.987 ppm2      7.366 CV     1
 ASSI {  390}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.014 ppm2      2.513 CV     1
 ASSI {  391}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.007 ppm2      1.982 CV     1
 ASSI {  392}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.518 ppm2      1.980 CV     1
 ASSI {  393}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.40451E-02 ppm1      4.397 ppm2      7.159 CV     1
 ASSI {  394}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      7.162 CV     1
 OR {  394}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  395}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.613 ppm2      7.160 CV     1
 OR {  395}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  396}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     3.100     2.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.17676E-02 ppm1      1.367 ppm2      7.160 CV     1
 ASSI {  397}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.244 ppm2      7.158 CV     1
 ASSI {  400}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      1.605 CV     1
 OR {  400}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HB2 ))
 OR {  400}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HB3 ))
 ASSI {  404}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD2 ))
      3.000     1.100     1.100 peak   404 spectrum    1 weight  0.10000E+01 volume  0.22385E-02 ppm1      4.398 ppm2      1.868 CV     1
 OR {  404}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD3 ))
 ASSI {  405}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     4.500     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.395 ppm2      1.606 CV     1
 OR {  405}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {  406}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG3 ))
      3.800     1.800     1.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.57716E-03 ppm1      4.398 ppm2      1.359 CV     1
 ASSI {  407}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      2.900     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.27477E-02 ppm1      4.400 ppm2      1.261 CV     1
 ASSI {  408}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.472 ppm2      7.625 CV     1
 ASSI {  409}
   (( segid "    " and resid 7    and name HG  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.386 ppm2      7.624 CV     1
 ASSI {  410}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   410 spectrum    1 weight  0.10000E+01 volume  0.18030E-02 ppm1      1.323 ppm2      7.625 CV     1
 ASSI {  411}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.237 ppm2      7.627 CV     1
 ASSI {  412}
   (  segid "    " and resid 7    and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.500     1.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.94541E-03 ppm1      0.716 ppm2      7.625 CV     1
 ASSI {  413}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.300     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.14758E-02 ppm1      0.639 ppm2      7.625 CV     1
 ASSI {  414}
   (( segid "    " and resid 7    and name HG  ))
   (  segid "    " and resid 7    and name HD1%)
      2.900     1.100     1.100 peak   414 spectrum    1 weight  0.10000E+01 volume  0.26825E-02 ppm1      1.400 ppm2      0.636 CV     1
 ASSI {  415}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.323 ppm2      0.635 CV     1
 ASSI {  416}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
      2.600     0.900     0.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.53658E-02 ppm1      1.231 ppm2      0.636 CV     1
 ASSI {  417}
   (  segid "    " and resid 7    and name HD2%)
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.723 ppm2      0.627 CV     1
 ASSI {  418}
   (( segid "    " and resid 7    and name HG  ))
   (  segid "    " and resid 7    and name HD2%)
      2.700     0.900     0.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.42228E-02 ppm1      1.398 ppm2      0.708 CV     1
 ASSI {  419}
   (( segid "    " and resid 7    and name HG  ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     4.500     0.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.396 ppm2      1.232 CV     1
 ASSI {  420}
   (( segid "    " and resid 7    and name HG  ))
   (( segid "    " and resid 7    and name HB3 ))
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.396 ppm2      1.317 CV     1
 ASSI {  421}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 7    and name HD2%)
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.324 ppm2      0.709 CV     1
 ASSI {  422}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 7    and name HD2%)
      2.600     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.51725E-02 ppm1      1.232 ppm2      0.709 CV     1
 ASSI {  423}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     4.500     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.323 ppm2      1.232 CV     1
 ASSI {  424}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG  ))
      6.000     4.500     0.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.479 ppm2      1.377 CV     1
 ASSI {  425}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.900     1.000     1.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.31053E-02 ppm1      4.474 ppm2      1.317 CV     1
 ASSI {  426}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.700     0.900     0.900 peak   426 spectrum    1 weight  0.10000E+01 volume  0.41577E-02 ppm1      4.474 ppm2      1.232 CV     1
 ASSI {  427}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HD2%)
      2.200     2.200     3.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.13724E-01 ppm1      4.477 ppm2      0.712 CV     1
 ASSI {  428}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      3.400     1.400     1.400 peak   428 spectrum    1 weight  0.10000E+01 volume  0.11720E-02 ppm1      4.474 ppm2      0.636 CV     1
 ASSI {  429}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.70173E-02 ppm1      4.087 ppm2      7.205 CV     1
 ASSI {  430}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.894 ppm2      7.206 CV     1
 OR {  430}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  431}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.694 ppm2      7.206 CV     1
 ASSI {  433}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      7.204 CV     1
 OR {  433}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  434}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG3 ))
      6.000     4.500     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.893 ppm2      1.504 CV     1
 OR {  434}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  434}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI {  438}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HD3 ))
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.893 ppm2      1.688 CV     1
 OR {  438}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HD2 ))
 OR {  438}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HD3 ))
 ASSI {  440}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.100     0.500     0.500 peak   440 spectrum    1 weight  0.10000E+01 volume  0.20232E-01 ppm1      4.092 ppm2      1.888 CV     1
 OR {  440}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  441}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HD3 ))
      2.500     0.800     0.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.69507E-02 ppm1      4.085 ppm2      1.691 CV     1
 ASSI {  443}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.600     0.900     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.51760E-02 ppm1      4.087 ppm2      1.502 CV     1
 OR {  443}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI {  454}
   (( segid "    " and resid 29   and name HE3 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.932 ppm2      7.162 CV     1
 OR {  454}
   (( segid "    " and resid 29   and name HE2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  455}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HG3 ))
      6.000     4.500     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      1.364 CV     1
 OR {  455}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG3 ))
 ASSI {  456}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      1.273 CV     1
 OR {  456}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  457}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HG3 ))
      6.000     4.500     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.615 ppm2      1.360 CV     1
 OR {  457}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HG3 ))
 ASSI {  458}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.611 ppm2      1.270 CV     1
 OR {  458}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  459}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.369 ppm2      1.273 CV     1
 ASSI {  460}
   (( segid "    " and resid 29   and name HE2 ))
   (( segid "    " and resid 29   and name HD3 ))
      6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.935 ppm2      1.872 CV     1
 OR {  460}
   (( segid "    " and resid 29   and name HE3 ))
   (( segid "    " and resid 29   and name HD2 ))
 OR {  460}
   (( segid "    " and resid 29   and name HE3 ))
   (( segid "    " and resid 29   and name HD3 ))
 ASSI {  461}
   (( segid "    " and resid 29   and name HE3 ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.935 ppm2      1.604 CV     1
 OR {  461}
   (( segid "    " and resid 29   and name HE2 ))
   (( segid "    " and resid 29   and name HB2 ))
 OR {  461}
   (( segid "    " and resid 29   and name HE2 ))
   (( segid "    " and resid 29   and name HB3 ))
 OR {  461}
   (( segid "    " and resid 29   and name HE3 ))
   (( segid "    " and resid 29   and name HB3 ))
 ASSI {  462}
   (( segid "    " and resid 29   and name HE2 ))
   (( segid "    " and resid 29   and name HG3 ))
      6.000     4.500     0.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.935 ppm2      1.361 CV     1
 OR {  462}
   (( segid "    " and resid 29   and name HE3 ))
   (( segid "    " and resid 29   and name HG3 ))
 ASSI {  463}
   (( segid "    " and resid 29   and name HE3 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.935 ppm2      1.274 CV     1
 OR {  463}
   (( segid "    " and resid 29   and name HE2 ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  464}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HE3 ))
      6.000     4.500     0.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.399 ppm2      2.926 CV     1
 OR {  464}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HE2 ))
 ASSI {  465}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HE1 ))
      3.400     1.500     1.500 peak   465 spectrum    1 weight  0.10000E+01 volume  0.10658E-02 ppm1      7.163 ppm2      7.992 CV     1
 ASSI {  467}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HE1 ))
      2.300     0.600     0.600 peak   467 spectrum    1 weight  0.10000E+01 volume  0.12825E-01 ppm1      7.063 ppm2     10.014 CV     1
 ASSI {  470}
   (( segid "    " and resid 32   and name HZ2 ))
   (( segid "    " and resid 32   and name HE3 ))
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.490 ppm2      7.600 CV     1
 ASSI {  471}
   (( segid "    " and resid 32   and name HH2 ))
   (( segid "    " and resid 32   and name HE3 ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.239 ppm2      7.603 CV     1
 ASSI {  472}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 32   and name HE3 ))
      2.400     0.700     0.700 peak   472 spectrum    1 weight  0.10000E+01 volume  0.96169E-02 ppm1      7.155 ppm2      7.605 CV     1
 ASSI {  473}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 32   and name HZ2 ))
      6.000     4.500     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.150 ppm2      7.481 CV     1
 ASSI {  474}
   (( segid "    " and resid 32   and name HH2 ))
   (( segid "    " and resid 32   and name HZ2 ))
      6.000     4.500     0.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.224 ppm2      7.489 CV     1
 ASSI {  475}
   (( segid "    " and resid 32   and name HZ3 ))
   (( segid "    " and resid 32   and name HH2 ))
      6.000     4.500     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.153 ppm2      7.215 CV     1
 ASSI {  478}
   (  segid "    " and resid 16   and name HE% )
   (  segid "    " and resid 16   and name HD% )
      2.200     0.600     0.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.14992E-01 ppm1      6.740 ppm2      6.973 CV     1
 ASSI {  479}
   (  segid "    " and resid 8    and name HE% )
   (  segid "    " and resid 8    and name HD% )
      2.000     0.500     0.500 peak   479 spectrum    1 weight  0.10000E+01 volume  0.25763E-01 ppm1      6.790 ppm2      6.950 CV     1
 ASSI {  480}
   (  segid "    " and resid 12   and name HD% )
   (  segid "    " and resid 12   and name HE% )
      6.000     4.500     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.075 ppm2      7.210 CV     1
 ASSI {  482}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.300 ppm2      8.544 CV     1
 ASSI {  483}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.373 ppm2      8.293 CV     1
 ASSI {  484}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.850 ppm2      8.293 CV     1
 ASSI {  485}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.756 ppm2      8.293 CV     1
 ASSI {  486}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.641 ppm2      8.293 CV     1
 OR {  486}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  487}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HD2 ))
      2.500     0.800     0.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.66922E-02 ppm1      4.596 ppm2      3.623 CV     1
 ASSI {  488}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HD3 ))
      2.400     0.700     0.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.96311E-02 ppm1      4.596 ppm2      3.819 CV     1
 ASSI {  489}
   (( segid "    " and resid 5    and name HD2 ))
   (  segid "    " and resid 4    and name HD2%)
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.19581E-02 ppm1      3.630 ppm2      0.897 CV     1
 OR {  489}
   (( segid "    " and resid 5    and name HD2 ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  491}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.829 ppm2      1.548 CV     1
 ASSI {  492}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 4    and name HG  ))
      6.000     4.500     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.829 ppm2      1.537 CV     1
 ASSI {  493}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HG  ))
      6.000     4.500     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.628 ppm2      1.537 CV     1
 ASSI {  494}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.628 ppm2      1.548 CV     1
 ASSI {  495}
   (( segid "    " and resid 5    and name HD3 ))
   (  segid "    " and resid 4    and name HD2%)
      6.000     4.500     0.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.830 ppm2      0.902 CV     1
 OR {  495}
   (( segid "    " and resid 5    and name HD3 ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  496}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.383 ppm2      8.261 CV     1
 ASSI {  497}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.825 ppm2      8.261 CV     1
 ASSI {  498}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.633 ppm2      8.259 CV     1
 ASSI {  499}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.40649E-02 ppm1      2.260 ppm2      8.261 CV     1
 ASSI {  500}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak   500 spectrum    1 weight  0.10000E+01 volume  0.60619E-03 ppm1      1.989 ppm2      8.259 CV     1
 ASSI {  501}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   501 spectrum    1 weight  0.10000E+01 volume  0.20346E-02 ppm1      1.804 ppm2      8.263 CV     1
 ASSI {  502}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      1.900     0.500     0.500 peak   502 spectrum    1 weight  0.10000E+01 volume  0.32540E-01 ppm1      4.110 ppm2      7.625 CV     1
 ASSI {  505}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.182 ppm2      7.625 CV     1
 ASSI {  506}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     2.700     3.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.46095E-02 ppm1      7.631 ppm2      8.261 CV     1
 ASSI {  507}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.79315E-03 ppm1      0.635 ppm2      8.558 CV     1
 ASSI {  508}
   (  segid "    " and resid 7    and name HD2%)
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   508 spectrum    1 weight  0.10000E+01 volume  0.23398E-02 ppm1      0.711 ppm2      8.557 CV     1
 ASSI {  509}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.47115E-02 ppm1      1.228 ppm2      8.557 CV     1
 ASSI {  510}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     3.400     2.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.10516E-02 ppm1      1.324 ppm2      8.558 CV     1
 ASSI {  511}
   (( segid "    " and resid 7    and name HG  ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.81652E-03 ppm1      1.392 ppm2      8.558 CV     1
 ASSI {  512}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.300     0.700     0.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.12032E-01 ppm1      4.477 ppm2      8.563 CV     1
 ASSI {  513}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     2.800     3.200 peak   513 spectrum    1 weight  0.10000E+01 volume  0.32123E-02 ppm1      7.634 ppm2      8.560 CV     1
 ASSI {  514}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      2.300     0.700     0.700 peak   514 spectrum    1 weight  0.10000E+01 volume  0.11359E-01 ppm1      2.715 ppm2      6.947 CV     1
 ASSI {  515}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
      2.900     2.900     3.100 peak   515 spectrum    1 weight  0.10000E+01 volume  0.27519E-02 ppm1      2.715 ppm2      6.782 CV     1
 ASSI {  516}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HE% )
      3.000     3.000     3.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.21805E-02 ppm1      2.827 ppm2      6.782 CV     1
 ASSI {  517}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      6.000     4.500     0.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.829 ppm2      6.953 CV     1
 ASSI {  518}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      6.000     4.500     0.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.550 ppm2      6.952 CV     1
 ASSI {  519}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      2.200     2.200     3.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.14369E-01 ppm1      4.552 ppm2      6.783 CV     1
 ASSI {  520}
   (  segid "    " and resid 8    and name HE% )
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.787 ppm2      8.563 CV     1
 ASSI {  521}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 9    and name HN  ))
      2.800     2.800     3.200 peak   521 spectrum    1 weight  0.10000E+01 volume  0.39318E-02 ppm1      6.964 ppm2      8.313 CV     1
 ASSI {  522}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak   522 spectrum    1 weight  0.10000E+01 volume  0.89725E-02 ppm1      6.964 ppm2      8.561 CV     1
 ASSI {  523}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     0.700     0.700 peak   523 spectrum    1 weight  0.10000E+01 volume  0.88521E-02 ppm1      4.549 ppm2      8.314 CV     1
 ASSI {  524}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     2.900     3.100 peak   524 spectrum    1 weight  0.10000E+01 volume  0.28022E-02 ppm1      2.827 ppm2      8.314 CV     1
 ASSI {  525}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   525 spectrum    1 weight  0.10000E+01 volume  0.11890E-02 ppm1      2.712 ppm2      8.314 CV     1
 ASSI {  526}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.000     0.500     0.500 peak   526 spectrum    1 weight  0.10000E+01 volume  0.29361E-01 ppm1      4.029 ppm2      8.511 CV     1
 ASSI {  527}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.559 ppm2      8.512 CV     1
 ASSI {  529}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      3.200     1.300     1.300 peak   529 spectrum    1 weight  0.10000E+01 volume  0.16840E-02 ppm1      1.097 ppm2      8.508 CV     1
 ASSI {  530}
   (( segid "    " and resid 9    and name HG  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.35394E-02 ppm1      0.884 ppm2      8.508 CV     1
 ASSI {  531}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak   531 spectrum    1 weight  0.10000E+01 volume  0.94753E-03 ppm1      0.624 ppm2      8.508 CV     1
 ASSI {  532}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.434 ppm2      8.406 CV     1
 ASSI {  533}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.314 ppm2      8.404 CV     1
 ASSI {  534}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.32434E-02 ppm1      4.546 ppm2      8.404 CV     1
 ASSI {  535}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.52405E-03 ppm1      8.321 ppm2      8.510 CV     1
 ASSI {  536}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.500     0.800     0.800 peak   536 spectrum    1 weight  0.10000E+01 volume  0.73083E-02 ppm1      3.909 ppm2      1.841 CV     1
 ASSI {  537}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.100     1.200     1.200 peak   537 spectrum    1 weight  0.10000E+01 volume  0.18568E-02 ppm1      3.909 ppm2      1.772 CV     1
 ASSI {  538}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.46760E-02 ppm1      3.909 ppm2      1.676 CV     1
 ASSI {  539}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HG2 ))
      6.000     4.500     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.915 ppm2      1.840 CV     1
 ASSI {  540}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HB3 ))
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.915 ppm2      1.770 CV     1
 ASSI {  541}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.915 ppm2      1.674 CV     1
 ASSI {  542}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB3 ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.847 ppm2      1.770 CV     1
 ASSI {  543}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.847 ppm2      1.674 CV     1
 ASSI {  544}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak   544 spectrum    1 weight  0.10000E+01 volume  0.22732E-02 ppm1      8.414 ppm2      8.511 CV     1
 ASSI {  545}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.31464E-02 ppm1      3.906 ppm2      9.023 CV     1
 ASSI {  546}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.913 ppm2      9.023 CV     1
 ASSI {  547}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.847 ppm2      9.023 CV     1
 ASSI {  548}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      9.023 CV     1
 ASSI {  549}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   549 spectrum    1 weight  0.10000E+01 volume  0.91141E-03 ppm1      1.684 ppm2      9.024 CV     1
 ASSI {  550}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak   550 spectrum    1 weight  0.10000E+01 volume  0.83706E-02 ppm1      8.410 ppm2      9.023 CV     1
 ASSI {  551}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HE% )
      6.000     4.500     0.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.546 ppm2      7.210 CV     1
 ASSI {  552}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HD% )
      2.600     0.800     0.800 peak   552 spectrum    1 weight  0.10000E+01 volume  0.59153E-02 ppm1      4.546 ppm2      7.068 CV     1
 ASSI {  553}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 12   and name HD% )
      6.000     4.500     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.045 ppm2      7.067 CV     1
 ASSI {  554}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 12   and name HE% )
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.045 ppm2      7.210 CV     1
 ASSI {  555}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 12   and name HE% )
      4.400     2.400     1.600 peak   555 spectrum    1 weight  0.10000E+01 volume  0.24219E-03 ppm1      3.480 ppm2      7.210 CV     1
 ASSI {  556}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 12   and name HD% )
      2.200     0.600     0.600 peak   556 spectrum    1 weight  0.10000E+01 volume  0.14036E-01 ppm1      3.488 ppm2      7.069 CV     1
 ASSI {  557}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   557 spectrum    1 weight  0.10000E+01 volume  0.65938E-02 ppm1      3.043 ppm2      8.194 CV     1
 ASSI {  558}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     2.400     3.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.80448E-02 ppm1      3.489 ppm2      8.195 CV     1
 ASSI {  559}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   559 spectrum    1 weight  0.10000E+01 volume  0.39750E-02 ppm1      4.547 ppm2      8.196 CV     1
 ASSI {  560}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.200     0.600     0.600 peak   560 spectrum    1 weight  0.10000E+01 volume  0.13696E-01 ppm1      8.201 ppm2      9.025 CV     1
 ASSI {  561}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   561 spectrum    1 weight  0.10000E+01 volume  0.73933E-02 ppm1      8.064 ppm2      8.196 CV     1
 ASSI {  562}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.100     1.200     1.200 peak   562 spectrum    1 weight  0.10000E+01 volume  0.20969E-02 ppm1      4.872 ppm2      8.066 CV     1
 ASSI {  563}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.212 ppm2      8.061 CV     1
 ASSI {  564}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak   564 spectrum    1 weight  0.10000E+01 volume  0.15622E-02 ppm1      2.671 ppm2      8.061 CV     1
 ASSI {  565}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HD% )
      6.000     4.500     0.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.848 ppm2      6.969 CV     1
 ASSI {  566}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HE% )
      6.000     4.500     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.845 ppm2      6.736 CV     1
 ASSI {  567}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 16   and name HD% )
      6.000     4.500     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.853 ppm2      6.967 CV     1
 ASSI {  569}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 16   and name HE% )
      6.000     4.500     0.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.798 ppm2      6.736 CV     1
 ASSI {  570}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 16   and name HE% )
      6.000     4.500     0.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.856 ppm2      6.734 CV     1
 ASSI {  571}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 16   and name HD% )
      6.000     4.500     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.795 ppm2      6.965 CV     1
 ASSI {  572}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   572 spectrum    1 weight  0.10000E+01 volume  0.60194E-03 ppm1      6.738 ppm2      8.420 CV     1
 ASSI {  573}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.97515E-02 ppm1      6.980 ppm2      8.420 CV     1
 ASSI {  574}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak   574 spectrum    1 weight  0.10000E+01 volume  0.15955E-02 ppm1      2.795 ppm2      9.203 CV     1
 ASSI {  575}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak   575 spectrum    1 weight  0.10000E+01 volume  0.25154E-02 ppm1      2.850 ppm2      9.203 CV     1
 ASSI {  576}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   576 spectrum    1 weight  0.10000E+01 volume  0.72162E-02 ppm1      4.845 ppm2      9.199 CV     1
 ASSI {  577}
   (  segid "    " and resid 16   and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.35118E-02 ppm1      6.975 ppm2      9.203 CV     1
 ASSI {  578}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.800     1.800     1.800 peak   578 spectrum    1 weight  0.10000E+01 volume  0.54671E-03 ppm1      8.422 ppm2      9.201 CV     1
 ASSI {  579}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.000     0.500     0.500 peak   579 spectrum    1 weight  0.10000E+01 volume  0.26429E-01 ppm1      5.106 ppm2      8.626 CV     1
 ASSI {  580}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   580 spectrum    1 weight  0.10000E+01 volume  0.77261E-03 ppm1      2.596 ppm2      8.626 CV     1
 ASSI {  581}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.192 ppm2      8.626 CV     1
 ASSI {  582}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak   582 spectrum    1 weight  0.10000E+01 volume  0.19071E-02 ppm1      2.038 ppm2      8.626 CV     1
 ASSI {  583}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.905 ppm2      8.626 CV     1
 ASSI {  584}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.43411E-03 ppm1      8.633 ppm2      9.204 CV     1
 ASSI {  585}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HG2 ))
      6.000     4.500     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.707 ppm2      1.494 CV     1
 OR {  585}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  586}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG2 ))
      6.000     4.500     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.861 ppm2      1.494 CV     1
 ASSI {  587}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HG2 ))
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.949 ppm2      1.494 CV     1
 ASSI {  588}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HG3 ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.949 ppm2      1.557 CV     1
 ASSI {  589}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HD3 ))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.949 ppm2      1.701 CV     1
 OR {  589}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HD2 ))
 ASSI {  590}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.949 ppm2      1.854 CV     1
 ASSI {  591}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG3 ))
      6.000     4.500     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.861 ppm2      1.556 CV     1
 ASSI {  592}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HD3 ))
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.861 ppm2      1.701 CV     1
 OR {  592}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HD2 ))
 ASSI {  593}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HG3 ))
      6.000     4.500     0.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.707 ppm2      1.557 CV     1
 OR {  593}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HG3 ))
 ASSI {  595}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.33496E-02 ppm1      4.298 ppm2      7.242 CV     1
 ASSI {  596}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.948 ppm2      7.243 CV     1
 ASSI {  597}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.860 ppm2      7.243 CV     1
 ASSI {  598}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.699 ppm2      7.242 CV     1
 OR {  598}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  599}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.561 ppm2      7.242 CV     1
 ASSI {  600}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.499 ppm2      7.243 CV     1
 ASSI {  601}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.63742E-02 ppm1      7.247 ppm2      8.625 CV     1
 ASSI {  602}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.556 ppm2      8.519 CV     1
 ASSI {  603}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     2.300     3.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.12960E-01 ppm1      4.180 ppm2      8.518 CV     1
 ASSI {  604}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.65484E-02 ppm1      3.844 ppm2      8.519 CV     1
 ASSI {  605}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.50563E-03 ppm1      7.248 ppm2      8.519 CV     1
 ASSI {  606}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.357 ppm2      8.000 CV     1
 ASSI {  607}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.403 ppm2      7.993 CV     1
 OR {  607}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  608}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.544 ppm2      8.003 CV     1
 ASSI {  609}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.657 ppm2      7.993 CV     1
 ASSI {  610}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     2.400     3.600 peak   610 spectrum    1 weight  0.10000E+01 volume  0.86184E-02 ppm1      8.005 ppm2      8.516 CV     1
 ASSI {  611}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.147 ppm2      7.996 CV     1
 OR {  611}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  612}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.574 ppm2      8.005 CV     1
 ASSI {  613}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.200     3.200     2.800 peak   613 spectrum    1 weight  0.10000E+01 volume  0.17209E-02 ppm1      4.176 ppm2      7.570 CV     1
 ASSI {  615}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.349 ppm2      7.572 CV     1
 ASSI {  617}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.797 ppm2      8.005 CV     1
 ASSI {  619}
   (( segid "    " and resid 22   and name HG13))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      7.995 CV     1
 ASSI {  620}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.35352E-02 ppm1      1.069 ppm2      8.005 CV     1
 ASSI {  621}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.83776E-03 ppm1      0.900 ppm2      8.004 CV     1
 ASSI {  623}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.226 ppm2      8.381 CV     1
 ASSI {  624}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.985 ppm2      8.379 CV     1
 ASSI {  625}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      8.379 CV     1
 ASSI {  626}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   626 spectrum    1 weight  0.10000E+01 volume  0.94682E-02 ppm1      8.011 ppm2      8.377 CV     1
 ASSI {  627}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.143 ppm2      7.742 CV     1
 ASSI {  628}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.257 ppm2      7.743 CV     1
 ASSI {  629}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.377 ppm2      7.743 CV     1
 ASSI {  630}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.539 ppm2      7.744 CV     1
 ASSI {  631}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.013 ppm2      7.742 CV     1
 ASSI {  632}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.300     0.700     0.700 peak   632 spectrum    1 weight  0.10000E+01 volume  0.11019E-01 ppm1      7.742 ppm2      8.378 CV     1
 ASSI {  633}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
      6.000     4.500     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.059 ppm2      2.572 CV     1
 ASSI {  634}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
      6.000     4.500     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.059 ppm2      2.469 CV     1
 ASSI {  635}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     4.500     0.000 peak   635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.059 ppm2      2.215 CV     1
 ASSI {  636}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.059 ppm2      2.156 CV     1
 ASSI {  637}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     4.500     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.580 ppm2      2.214 CV     1
 ASSI {  638}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.580 ppm2      2.158 CV     1
 ASSI {  639}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.476 ppm2      2.157 CV     1
 ASSI {  640}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.222 ppm2      2.157 CV     1
 ASSI {  641}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB3 ))
      6.000     4.500     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.476 ppm2      2.214 CV     1
 ASSI {  642}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HG2 ))
      6.000     4.500     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.578 ppm2      2.469 CV     1
 ASSI {  643}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.063 ppm2      8.857 CV     1
 ASSI {  644}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.400     1.400 peak   644 spectrum    1 weight  0.10000E+01 volume  0.11154E-02 ppm1      2.582 ppm2      8.857 CV     1
 ASSI {  645}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak   645 spectrum    1 weight  0.10000E+01 volume  0.54954E-03 ppm1      2.476 ppm2      8.857 CV     1
 ASSI {  646}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.222 ppm2      8.857 CV     1
 ASSI {  647}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.165 ppm2      8.856 CV     1
 ASSI {  648}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.300     0.600     0.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.12570E-01 ppm1      7.747 ppm2      8.857 CV     1
 ASSI {  649}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      6.000     4.500     0.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.376 ppm2      7.165 CV     1
 ASSI {  650}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.500     0.800     0.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.71242E-02 ppm1      3.715 ppm2      7.166 CV     1
 ASSI {  651}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      6.000     4.500     0.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.261 ppm2      7.167 CV     1
 ASSI {  652}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HE1 ))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.261 ppm2      7.994 CV     1
 ASSI {  653}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HE1 ))
      6.000     4.500     0.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.717 ppm2      7.994 CV     1
 ASSI {  654}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HE1 ))
      6.000     4.500     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.375 ppm2      7.994 CV     1
 ASSI {  655}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      8.843 CV     1
 ASSI {  656}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.711 ppm2      8.843 CV     1
 ASSI {  657}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.378 ppm2      8.843 CV     1
 ASSI {  658}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.49239E-02 ppm1      2.409 ppm2      8.843 CV     1
 ASSI {  659}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.035 ppm2      2.399 CV     1
 ASSI {  660}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.67935E-02 ppm1      3.087 ppm2      2.249 CV     1
 ASSI {  661}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.900     1.000     1.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.29594E-02 ppm1      3.087 ppm2      2.400 CV     1
 ASSI {  662}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HB3 ))
      3.100     1.200     1.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.19482E-02 ppm1      3.206 ppm2      2.399 CV     1
 ASSI {  663}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.406 ppm2      2.248 CV     1
 ASSI {  665}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.213 ppm2      8.842 CV     1
 ASSI {  666}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak   666 spectrum    1 weight  0.10000E+01 volume  0.62149E-02 ppm1      2.238 ppm2      7.208 CV     1
 ASSI {  667}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.000     1.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.31946E-02 ppm1      2.410 ppm2      7.204 CV     1
 ASSI {  668}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.087 ppm2      7.204 CV     1
 ASSI {  669}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.206 ppm2      7.205 CV     1
 ASSI {  670}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.300     1.400     1.400 peak   670 spectrum    1 weight  0.10000E+01 volume  0.13384E-02 ppm1      4.037 ppm2      7.206 CV     1
 ASSI {  671}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.175 ppm2      8.842 CV     1
 ASSI {  672}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HB3 ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      1.889 CV     1
 OR {  672}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {  672}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  675}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HD3 ))
      6.000     4.500     0.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      1.690 CV     1
 OR {  675}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HD2 ))
 OR {  675}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HD3 ))
 ASSI {  676}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HG2 ))
      6.000     4.500     0.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      1.503 CV     1
 OR {  676}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  676}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI {  677}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HG3 ))
      6.000     4.500     0.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.693 ppm2      1.504 CV     1
 OR {  677}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HG2 ))
 OR {  677}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI {  678}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.966 ppm2      7.208 CV     1
 OR {  678}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  679}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HE3 ))
      3.400     1.500     1.500 peak   679 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      4.079 ppm2      2.960 CV     1
 OR {  679}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HE2 ))
 ASSI {  680}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.511 ppm2      7.162 CV     1
 OR {  680}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  681}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.693 ppm2      7.160 CV     1
 OR {  681}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  682}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.896 ppm2      7.162 CV     1
 OR {  682}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  683}
   (( segid "    " and resid 28   and name HE3 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.966 ppm2      7.160 CV     1
 OR {  683}
   (( segid "    " and resid 28   and name HE2 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  684}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.088 ppm2      7.162 CV     1
 ASSI {  685}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.55110E-02 ppm1      4.399 ppm2      7.366 CV     1
 ASSI {  686}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.89442E-02 ppm1      7.168 ppm2      7.365 CV     1
 ASSI {  687}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.371 ppm2      7.369 CV     1
 ASSI {  689}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.100     1.100 peak   689 spectrum    1 weight  0.10000E+01 volume  0.27406E-02 ppm1      1.874 ppm2      7.366 CV     1
 OR {  689}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  690}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.13873E-02 ppm1      1.984 ppm2      7.930 CV     1
 ASSI {  692}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     2.300     3.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.11387E-01 ppm1      4.008 ppm2      7.931 CV     1
 ASSI {  693}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.371 ppm2      7.930 CV     1
 ASSI {  694}
   (( segid "    " and resid 31   and name HA2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   694 spectrum    1 weight  0.10000E+01 volume  0.17584E-02 ppm1      3.121 ppm2      7.352 CV     1
 ASSI {  695}
   (( segid "    " and resid 31   and name HA1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.400     1.400 peak   695 spectrum    1 weight  0.10000E+01 volume  0.11111E-02 ppm1      2.972 ppm2      7.351 CV     1
 ASSI {  696}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.355 ppm2      7.933 CV     1
 ASSI {  697}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HE3 ))
      6.000     4.500     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.501 ppm2      7.599 CV     1
 ASSI {  698}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HZ2 ))
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.504 ppm2      7.489 CV     1
 ASSI {  702}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HE3 ))
      2.600     2.600     3.400 peak   702 spectrum    1 weight  0.10000E+01 volume  0.59621E-02 ppm1      3.167 ppm2      7.600 CV     1
 ASSI {  703}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HE1 ))
      6.000     4.500     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.040 ppm2     10.016 CV     1
 ASSI {  704}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HE1 ))
      6.000     4.500     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.164 ppm2     10.015 CV     1
 ASSI {  705}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HD1 ))
      6.000     4.500     0.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.501 ppm2      7.054 CV     1
 ASSI {  706}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD1 ))
      6.000     4.500     0.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.043 ppm2      7.054 CV     1
 ASSI {  707}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HD1 ))
      6.000     4.500     0.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.164 ppm2      7.053 CV     1
 ASSI {  708}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.029 ppm2      7.472 CV     1
 ASSI {  709}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.153 ppm2      7.472 CV     1
 ASSI {  710}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.503 ppm2      7.472 CV     1
 ASSI {  711}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak   711 spectrum    1 weight  0.10000E+01 volume  0.25098E-02 ppm1      7.355 ppm2      7.472 CV     1
 ASSI {  712}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD% )
      2.500     0.800     0.800 peak   712 spectrum    1 weight  0.10000E+01 volume  0.68770E-02 ppm1      2.889 ppm2      7.120 CV     1
 ASSI {  713}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 33   and name HD% )
      6.000     4.500     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.079 ppm2      7.120 CV     1
 ASSI {  714}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD% )
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.372 ppm2      7.121 CV     1
 ASSI {  715}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 33   and name HE% )
      6.000     4.500     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.079 ppm2      7.256 CV     1
 ASSI {  716}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HE% )
      6.000     4.500     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.889 ppm2      7.255 CV     1
 ASSI {  717}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HE% )
      6.000     4.500     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.372 ppm2      7.255 CV     1
 ASSI {  718}
   (  segid "    " and resid 33   and name HD% )
   (  segid "    " and resid 33   and name HE% )
      6.000     4.500     0.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.130 ppm2      7.255 CV     1
 ASSI {  719}
   (( segid "    " and resid 25   and name HE22))
   (( segid "    " and resid 25   and name HE21))
      1.800     0.400     0.400 peak   719 spectrum    1 weight  0.10000E+01 volume  0.45387E-01 ppm1      6.857 ppm2      7.425 CV     1
 ASSI {  720}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HE21))
      6.000     4.500     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.476 ppm2      7.421 CV     1
 ASSI {  721}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HE21))
      6.000     4.500     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.578 ppm2      7.424 CV     1
 ASSI {  722}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HE22))
      6.000     4.500     0.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.578 ppm2      6.852 CV     1
 ASSI {  723}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HE22))
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.476 ppm2      6.851 CV     1
 ASSI {  724}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HE22))
      6.000     4.500     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      6.849 CV     1
 ASSI {  725}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HE22))
      6.000     4.500     0.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.218 ppm2      6.849 CV     1
 ASSI {  726}
   (( segid "    " and resid 24   and name HE22))
   (( segid "    " and resid 24   and name HE21))
      1.800     0.400     0.400 peak   726 spectrum    1 weight  0.10000E+01 volume  0.54302E-01 ppm1      6.855 ppm2      7.378 CV     1
 ASSI {  727}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HE21))
      6.000     4.500     0.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.012 ppm2      7.364 CV     1
 ASSI {  728}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HE22))
      6.000     4.500     0.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.013 ppm2      6.849 CV     1
 ASSI {  729}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HE21))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.548 ppm2      7.376 CV     1
 ASSI {  730}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HE22))
      6.000     4.500     0.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.546 ppm2      6.848 CV     1
 ASSI {  731}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HE21))
      2.800     1.000     1.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.32115E-02 ppm1      2.374 ppm2      7.377 CV     1
 ASSI {  732}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HE22))
      3.300     1.400     1.400 peak   732 spectrum    1 weight  0.10000E+01 volume  0.13519E-02 ppm1      2.369 ppm2      6.847 CV     1
 ASSI {  733}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HE21))
      6.000     4.500     0.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.255 ppm2      7.377 CV     1
 ASSI {  734}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HE22))
      6.000     4.500     0.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      6.847 CV     1
 ASSI {  736}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HE22))
      6.000     4.500     0.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.150 ppm2      6.847 CV     1
 ASSI {  737}
   (( segid "    " and resid 32   and name HZ2 ))
   (( segid "    " and resid 32   and name HE1 ))
      2.700     0.900     0.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.42101E-02 ppm1      7.486 ppm2     10.013 CV     1
 ASSI {  738}
   (( segid "    " and resid 32   and name HH2 ))
   (( segid "    " and resid 32   and name HE1 ))
      4.200     2.200     1.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.33355E-03 ppm1      7.216 ppm2     10.014 CV     1
 ASSI {  739}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HE1 ))
      4.000     2.000     2.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.40082E-03 ppm1      4.398 ppm2     10.016 CV     1
 ASSI {  744}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      3.900     1.900     1.900 peak   744 spectrum    1 weight  0.10000E+01 volume  0.46102E-03 ppm1      1.068 ppm2      9.201 CV     1
 ASSI {  745}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.19864E-02 ppm1      1.236 ppm2      9.201 CV     1
 ASSI {  747}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak   747 spectrum    1 weight  0.10000E+01 volume  0.20728E-02 ppm1      2.726 ppm2      9.201 CV     1
 ASSI {  748}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak   748 spectrum    1 weight  0.10000E+01 volume  0.27881E-02 ppm1      4.027 ppm2      9.201 CV     1
 ASSI {  750}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.33164E-02 ppm1      8.553 ppm2      9.201 CV     1
 ASSI {  751}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.32505E-02 ppm1      8.061 ppm2      9.024 CV     1
 ASSI {  752}
   (  segid "    " and resid 12   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.45918E-02 ppm1      7.073 ppm2      9.024 CV     1
 ASSI {  753}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak   753 spectrum    1 weight  0.10000E+01 volume  0.36542E-03 ppm1      7.198 ppm2      9.024 CV     1
 ASSI {  754}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.900     1.900     1.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.46385E-03 ppm1      3.301 ppm2      9.024 CV     1
 ASSI {  755}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     2.800     3.200 peak   755 spectrum    1 weight  0.10000E+01 volume  0.39473E-02 ppm1      8.382 ppm2      8.851 CV     1
 ASSI {  756}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     0.900     0.900 peak   756 spectrum    1 weight  0.10000E+01 volume  0.39183E-02 ppm1      4.174 ppm2      8.855 CV     1
 ASSI {  757}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.400     1.400 peak   757 spectrum    1 weight  0.10000E+01 volume  0.12188E-02 ppm1      1.071 ppm2      8.856 CV     1
 ASSI {  758}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      2.900     2.900     3.100 peak   758 spectrum    1 weight  0.10000E+01 volume  0.29226E-02 ppm1      0.987 ppm2      8.844 CV     1
 ASSI {  760}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak   760 spectrum    1 weight  0.10000E+01 volume  0.22102E-02 ppm1      1.685 ppm2      8.847 CV     1
 OR {  760}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  761}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     3.300     2.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.12790E-02 ppm1      1.889 ppm2      8.844 CV     1
 OR {  761}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  762}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.500     1.500 peak   762 spectrum    1 weight  0.10000E+01 volume  0.10254E-02 ppm1      7.624 ppm2      8.507 CV     1
 ASSI {  763}
   (  segid "    " and resid 8    and name HE% )
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak   763 spectrum    1 weight  0.10000E+01 volume  0.24623E-02 ppm1      6.781 ppm2      8.516 CV     1
 ASSI {  764}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 20   and name HN  ))
      3.000     3.000     3.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.22775E-02 ppm1      6.961 ppm2      8.514 CV     1
 ASSI {  766}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      2.800     2.800     3.200 peak   766 spectrum    1 weight  0.10000E+01 volume  0.34991E-02 ppm1      0.984 ppm2      8.509 CV     1
 ASSI {  767}
   (  segid "    " and resid 7    and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   767 spectrum    1 weight  0.10000E+01 volume  0.57999E-03 ppm1      0.709 ppm2      8.622 CV     1
 ASSI {  768}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.100     1.100 peak   768 spectrum    1 weight  0.10000E+01 volume  0.28065E-02 ppm1      0.909 ppm2      8.622 CV     1
 ASSI {  769}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   769 spectrum    1 weight  0.10000E+01 volume  0.42710E-02 ppm1      1.071 ppm2      8.621 CV     1
 ASSI {  775}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   775 spectrum    1 weight  0.10000E+01 volume  0.14546E-02 ppm1      7.627 ppm2      8.418 CV     1
 ASSI {  776}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.58353E-03 ppm1      7.576 ppm2      8.374 CV     1
 ASSI {  777}
   (  segid "    " and resid 16   and name HE% )
   (( segid "    " and resid 9    and name HN  ))
      3.500     1.500     1.500 peak   777 spectrum    1 weight  0.10000E+01 volume  0.92558E-03 ppm1      6.742 ppm2      8.310 CV     1
 ASSI {  778}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak   778 spectrum    1 weight  0.10000E+01 volume  0.18674E-02 ppm1      4.180 ppm2      8.377 CV     1
 ASSI {  779}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak   779 spectrum    1 weight  0.10000E+01 volume  0.22576E-02 ppm1      3.970 ppm2      8.193 CV     1
 ASSI {  780}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.000     0.500     0.500 peak   780 spectrum    1 weight  0.10000E+01 volume  0.24333E-01 ppm1      4.467 ppm2      8.419 CV     1
 ASSI {  781}
   (( segid "    " and resid 5    and name HD3 ))
   (( segid "    " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.47731E-03 ppm1      3.823 ppm2      8.286 CV     1
 ASSI {  782}
   (( segid "    " and resid 5    and name HD2 ))
   (( segid "    " and resid 4    and name HN  ))
      4.000     2.000     2.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.41357E-03 ppm1      3.625 ppm2      8.285 CV     1
 ASSI {  783}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.600     1.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.87742E-03 ppm1      0.626 ppm2      8.417 CV     1
 ASSI {  784}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 24   and name HN  ))
      2.600     2.600     3.400 peak   784 spectrum    1 weight  0.10000E+01 volume  0.50521E-02 ppm1      0.993 ppm2      8.382 CV     1
 ASSI {  785}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      3.400     1.400     1.400 peak   785 spectrum    1 weight  0.10000E+01 volume  0.11664E-02 ppm1      1.077 ppm2      8.382 CV     1
 ASSI {  786}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     3.300     2.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.12181E-02 ppm1      1.242 ppm2      8.416 CV     1
 ASSI {  787}
   (( segid "    " and resid 7    and name HG  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.39941E-03 ppm1      1.377 ppm2      8.416 CV     1
 ASSI {  788}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.300     1.300 peak   788 spectrum    1 weight  0.10000E+01 volume  0.14263E-02 ppm1      1.344 ppm2      8.379 CV     1
 ASSI {  791}
   (( segid "    " and resid 9    and name HG  ))
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.500     1.500 peak   791 spectrum    1 weight  0.10000E+01 volume  0.97303E-03 ppm1      0.870 ppm2      8.400 CV     1
 ASSI {  792}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 9    and name HN  ))
      3.000     3.000     3.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.22463E-02 ppm1      1.014 ppm2      8.311 CV     1
 ASSI {  794}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   794 spectrum    1 weight  0.10000E+01 volume  0.16345E-02 ppm1      1.565 ppm2      8.418 CV     1
 ASSI {  795}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   795 spectrum    1 weight  0.10000E+01 volume  0.48765E-02 ppm1      1.636 ppm2      8.417 CV     1
 OR {  795}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  796}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak   796 spectrum    1 weight  0.10000E+01 volume  0.12910E-02 ppm1      7.623 ppm2      8.197 CV     1
 ASSI {  797}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   797 spectrum    1 weight  0.10000E+01 volume  0.91566E-02 ppm1      7.624 ppm2      8.059 CV     1
 ASSI {  799}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak   799 spectrum    1 weight  0.10000E+01 volume  0.20693E-02 ppm1      7.248 ppm2      8.006 CV     1
 ASSI {  800}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.500     1.600     1.600 peak   800 spectrum    1 weight  0.10000E+01 volume  0.86538E-03 ppm1      7.162 ppm2      7.929 CV     1
 ASSI {  801}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 31   and name HN  ))
      4.200     2.200     1.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.31372E-03 ppm1      7.070 ppm2      7.929 CV     1
 ASSI {  802}
   (  segid "    " and resid 12   and name HD% )
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak   802 spectrum    1 weight  0.10000E+01 volume  0.98931E-03 ppm1      7.076 ppm2      8.195 CV     1
 ASSI {  803}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HE3 ))
      2.900     2.900     3.100 peak   803 spectrum    1 weight  0.10000E+01 volume  0.30727E-02 ppm1      7.357 ppm2      7.598 CV     1
 ASSI {  804}
   (  segid "    " and resid 8    and name HD% )
   (( segid "    " and resid 7    and name HN  ))
      3.300     3.300     2.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.12790E-02 ppm1      6.963 ppm2      7.625 CV     1
 ASSI {  807}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   807 spectrum    1 weight  0.10000E+01 volume  0.20565E-02 ppm1      4.551 ppm2      7.996 CV     1
 ASSI {  808}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.80377E-03 ppm1      4.545 ppm2      8.062 CV     1
 ASSI {  812}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.29948E-02 ppm1      3.790 ppm2      7.742 CV     1
 ASSI {  813}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak   813 spectrum    1 weight  0.10000E+01 volume  0.18214E-02 ppm1      3.969 ppm2      7.621 CV     1
 ASSI {  814}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     2.800     3.200 peak   814 spectrum    1 weight  0.10000E+01 volume  0.37172E-02 ppm1      4.006 ppm2      7.570 CV     1
 ASSI {  815}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak   815 spectrum    1 weight  0.10000E+01 volume  0.24942E-02 ppm1      3.304 ppm2      8.195 CV     1
 ASSI {  816}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.100     1.100 peak   816 spectrum    1 weight  0.10000E+01 volume  0.28929E-02 ppm1      3.301 ppm2      8.061 CV     1
 ASSI {  817}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   817 spectrum    1 weight  0.10000E+01 volume  0.51980E-03 ppm1      3.040 ppm2      8.059 CV     1
 ASSI {  820}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   820 spectrum    1 weight  0.10000E+01 volume  0.56066E-02 ppm1      3.304 ppm2      7.620 CV     1
 ASSI {  821}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.200     1.200 peak   821 spectrum    1 weight  0.10000E+01 volume  0.21748E-02 ppm1      2.435 ppm2      7.616 CV     1
 ASSI {  824}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak   824 spectrum    1 weight  0.10000E+01 volume  0.15898E-02 ppm1      1.896 ppm2      8.006 CV     1
 ASSI {  825}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     3.400     2.600 peak   825 spectrum    1 weight  0.10000E+01 volume  0.11111E-02 ppm1      2.254 ppm2      8.003 CV     1
 ASSI {  826}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak   826 spectrum    1 weight  0.10000E+01 volume  0.99215E-03 ppm1      2.435 ppm2      8.195 CV     1
 ASSI {  827}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.400     1.400 peak   827 spectrum    1 weight  0.10000E+01 volume  0.11642E-02 ppm1      2.432 ppm2      8.063 CV     1
 ASSI {  828}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 26   and name HE1 ))
      3.300     3.300     2.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      2.516 ppm2      7.991 CV     1
 ASSI {  830}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      4.200     2.200     1.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.33426E-03 ppm1      3.379 ppm2      7.743 CV     1
 ASSI {  831}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.700     1.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.74216E-03 ppm1      1.688 ppm2      7.621 CV     1
 ASSI {  832}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      4.000     2.000     2.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.41640E-03 ppm1      1.227 ppm2      7.740 CV     1
 ASSI {  834}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak   834 spectrum    1 weight  0.10000E+01 volume  0.16019E-02 ppm1      1.218 ppm2      7.569 CV     1
 ASSI {  836}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.600     1.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.88946E-03 ppm1      0.769 ppm2      8.197 CV     1
 ASSI {  837}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   837 spectrum    1 weight  0.10000E+01 volume  0.45394E-03 ppm1      0.631 ppm2      8.059 CV     1
 ASSI {  843}
   (  segid "    " and resid 9    and name HD1%)
   (  segid "    " and resid 16   and name HE% )
      2.400     0.700     0.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.82431E-02 ppm1     -0.128 ppm2      6.734 CV     1
 ASSI {  844}
   (  segid "    " and resid 9    and name HD2%)
   (  segid "    " and resid 16   and name HD% )
      2.600     2.600     3.400 peak   844 spectrum    1 weight  0.10000E+01 volume  0.56250E-02 ppm1      0.637 ppm2      6.969 CV     1
 ASSI {  845}
   (  segid "    " and resid 9    and name HD2%)
   (  segid "    " and resid 16   and name HE% )
      2.500     0.800     0.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.70300E-02 ppm1      0.631 ppm2      6.733 CV     1
 ASSI {  846}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 8    and name HE% )
      3.800     1.800     1.800 peak   846 spectrum    1 weight  0.10000E+01 volume  0.55166E-03 ppm1      0.637 ppm2      6.781 CV     1
 ASSI {  847}
   (  segid "    " and resid 7    and name HD2%)
   (  segid "    " and resid 8    and name HE% )
      4.200     2.300     1.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.29247E-03 ppm1      0.712 ppm2      6.782 CV     1
 ASSI {  848}
   (  segid "    " and resid 7    and name HD2%)
   (  segid "    " and resid 8    and name HD% )
      3.600     1.600     1.600 peak   848 spectrum    1 weight  0.10000E+01 volume  0.76341E-03 ppm1      0.712 ppm2      6.956 CV     1
 ASSI {  849}
   (  segid "    " and resid 7    and name HD2%)
   (  segid "    " and resid 16   and name HD% )
      3.500     1.500     1.500 peak   849 spectrum    1 weight  0.10000E+01 volume  0.90433E-03 ppm1      0.713 ppm2      6.967 CV     1
 ASSI {  850}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 16   and name HD% )
      3.700     1.700     1.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.71738E-03 ppm1      0.870 ppm2      6.974 CV     1
 ASSI {  851}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 8    and name HD% )
      2.300     2.300     3.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.12273E-01 ppm1      1.017 ppm2      6.946 CV     1
 ASSI {  853}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 16   and name HD% )
      2.600     0.800     0.800 peak   853 spectrum    1 weight  0.10000E+01 volume  0.59890E-02 ppm1      1.233 ppm2      6.968 CV     1
 ASSI {  854}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 16   and name HD% )
      2.800     1.000     1.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.36202E-02 ppm1      1.323 ppm2      6.967 CV     1
 ASSI {  855}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 8    and name HD% )
      2.700     0.900     0.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.48063E-02 ppm1      1.396 ppm2      6.951 CV     1
 ASSI {  856}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 16   and name HD% )
      2.800     2.800     3.200 peak   856 spectrum    1 weight  0.10000E+01 volume  0.36796E-02 ppm1      1.565 ppm2      6.965 CV     1
 ASSI {  857}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      3.200     3.200     2.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.16486E-02 ppm1      1.667 ppm2      6.950 CV     1
 ASSI {  858}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 26   and name HD2 ))
      2.300     2.300     3.700 peak   858 spectrum    1 weight  0.10000E+01 volume  0.12889E-01 ppm1      0.978 ppm2      7.164 CV     1
 ASSI {  859}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.36173E-02 ppm1      1.074 ppm2      7.242 CV     1
 ASSI {  860}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   860 spectrum    1 weight  0.10000E+01 volume  0.48609E-02 ppm1      0.909 ppm2      7.239 CV     1
 ASSI {  861}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HE21))
      3.300     1.400     1.400 peak   861 spectrum    1 weight  0.10000E+01 volume  0.12216E-02 ppm1      1.224 ppm2      7.418 CV     1
 ASSI {  862}
   (( segid "    " and resid 28   and name HD3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     2.800     3.200 peak   862 spectrum    1 weight  0.10000E+01 volume  0.35543E-02 ppm1      1.675 ppm2      7.369 CV     1
 OR {  862}
   (( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  863}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 8    and name HE% )
      2.900     2.900     3.100 peak   863 spectrum    1 weight  0.10000E+01 volume  0.26061E-02 ppm1      1.011 ppm2      6.779 CV     1
 ASSI {  864}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 16   and name HE% )
      3.000     3.000     3.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.22746E-02 ppm1      0.873 ppm2      6.736 CV     1
 ASSI {  866}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 16   and name HE% )
      3.300     1.400     1.400 peak   866 spectrum    1 weight  0.10000E+01 volume  0.12542E-02 ppm1      1.230 ppm2      6.733 CV     1
 ASSI {  867}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 16   and name HE% )
      3.400     3.400     2.600 peak   867 spectrum    1 weight  0.10000E+01 volume  0.12011E-02 ppm1      1.320 ppm2      6.736 CV     1
 ASSI {  868}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 16   and name HE% )
      2.600     0.900     0.900 peak   868 spectrum    1 weight  0.10000E+01 volume  0.54366E-02 ppm1      1.568 ppm2      6.734 CV     1
 ASSI {  869}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
      3.600     3.600     2.400 peak   869 spectrum    1 weight  0.10000E+01 volume  0.75066E-03 ppm1      1.227 ppm2      6.781 CV     1
 ASSI {  870}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HE22))
      3.300     1.400     1.400 peak   870 spectrum    1 weight  0.10000E+01 volume  0.12400E-02 ppm1      1.221 ppm2      6.851 CV     1
 ASSI {  871}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 8    and name HE% )
      2.700     0.900     0.900 peak   871 spectrum    1 weight  0.10000E+01 volume  0.47978E-02 ppm1      1.404 ppm2      6.781 CV     1
 ASSI {  873}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 8    and name HE% )
      3.600     1.600     1.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.75349E-03 ppm1      1.663 ppm2      6.781 CV     1
 ASSI {  874}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 12   and name HD% )
      3.600     1.600     1.600 peak   874 spectrum    1 weight  0.10000E+01 volume  0.77049E-03 ppm1      1.688 ppm2      7.065 CV     1
 ASSI {  876}
   (  segid "    " and resid 23   and name HD2%)
   (  segid "    " and resid 12   and name HE% )
      3.800     1.800     1.800 peak   876 spectrum    1 weight  0.10000E+01 volume  0.60124E-03 ppm1      1.011 ppm2      7.206 CV     1
 OR {  876}
   (  segid "    " and resid 23   and name HD2%)
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  877}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      3.800     1.800     1.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.61044E-03 ppm1      2.037 ppm2      6.946 CV     1
 ASSI {  878}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 8    and name HD% )
      3.900     1.900     1.900 peak   878 spectrum    1 weight  0.10000E+01 volume  0.51696E-03 ppm1      1.908 ppm2      6.947 CV     1
 ASSI {  879}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 8    and name HD% )
      4.000     2.000     2.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.42915E-03 ppm1      2.127 ppm2      6.946 CV     1
 ASSI {  880}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 12   and name HD% )
      3.400     1.500     1.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10623E-02 ppm1      1.986 ppm2      7.068 CV     1
 ASSI {  881}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.900     1.100     1.100 peak   881 spectrum    1 weight  0.10000E+01 volume  0.28723E-02 ppm1      1.983 ppm2      7.165 CV     1
 ASSI {  882}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.200     1.200 peak   882 spectrum    1 weight  0.10000E+01 volume  0.17499E-02 ppm1      2.037 ppm2      7.240 CV     1
 ASSI {  883}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 12   and name HD% )
      2.800     2.800     3.200 peak   883 spectrum    1 weight  0.10000E+01 volume  0.35550E-02 ppm1      2.234 ppm2      7.068 CV     1
 ASSI {  884}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 12   and name HD% )
      3.800     1.800     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.57078E-03 ppm1      2.420 ppm2      7.068 CV     1
 ASSI {  886}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.500     0.800     0.800 peak   886 spectrum    1 weight  0.10000E+01 volume  0.72517E-02 ppm1      2.429 ppm2      7.166 CV     1
 ASSI {  888}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.900     1.100     1.100 peak   888 spectrum    1 weight  0.10000E+01 volume  0.26549E-02 ppm1      2.519 ppm2      7.165 CV     1
 ASSI {  889}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak   889 spectrum    1 weight  0.10000E+01 volume  0.69401E-03 ppm1      2.526 ppm2      7.202 CV     1
 ASSI {  890}
   (( segid "    " and resid 20   and name HD3 ))
   (  segid "    " and resid 8    and name HD% )
      3.500     1.600     1.600 peak   890 spectrum    1 weight  0.10000E+01 volume  0.87034E-03 ppm1      3.151 ppm2      6.945 CV     1
 OR {  890}
   (( segid "    " and resid 20   and name HD2 ))
   (  segid "    " and resid 8    and name HD% )
 ASSI {  891}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      3.000     1.100     1.100 peak   891 spectrum    1 weight  0.10000E+01 volume  0.24687E-02 ppm1      3.355 ppm2      6.946 CV     1
 ASSI {  892}
   (( segid "    " and resid 20   and name HD3 ))
   (  segid "    " and resid 8    and name HE% )
      2.800     1.000     1.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.33036E-02 ppm1      3.148 ppm2      6.782 CV     1
 OR {  892}
   (( segid "    " and resid 20   and name HD2 ))
   (  segid "    " and resid 8    and name HE% )
 ASSI {  893}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 8    and name HE% )
      3.300     1.300     1.300 peak   893 spectrum    1 weight  0.10000E+01 volume  0.14432E-02 ppm1      3.352 ppm2      6.779 CV     1
 ASSI {  894}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.100     1.200     1.200 peak   894 spectrum    1 weight  0.10000E+01 volume  0.18448E-02 ppm1      3.304 ppm2      7.166 CV     1
 ASSI {  895}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 12   and name HD% )
      3.100     1.200     1.200 peak   895 spectrum    1 weight  0.10000E+01 volume  0.18774E-02 ppm1      4.030 ppm2      7.065 CV     1
 ASSI {  896}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 16   and name HD% )
      2.700     0.900     0.900 peak   896 spectrum    1 weight  0.10000E+01 volume  0.45068E-02 ppm1      4.021 ppm2      6.969 CV     1
 ASSI {  899}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      3.200     1.200     1.200 peak   899 spectrum    1 weight  0.10000E+01 volume  0.17343E-02 ppm1      4.297 ppm2      6.946 CV     1
 ASSI {  900}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 16   and name HD% )
      3.300     1.300     1.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.13717E-02 ppm1      4.469 ppm2      6.969 CV     1
 ASSI {  901}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 16   and name HE% )
      3.200     1.300     1.300 peak   901 spectrum    1 weight  0.10000E+01 volume  0.16479E-02 ppm1      4.024 ppm2      6.734 CV     1
 ASSI {  902}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 8    and name HE% )
      3.900     1.900     1.900 peak   902 spectrum    1 weight  0.10000E+01 volume  0.50563E-03 ppm1      3.850 ppm2      6.779 CV     1
 ASSI {  904}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HD1 ))
      3.300     1.300     1.300 peak   904 spectrum    1 weight  0.10000E+01 volume  0.14355E-02 ppm1      4.395 ppm2      7.054 CV     1
 ASSI {  905}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.500     1.500     1.500 peak   905 spectrum    1 weight  0.10000E+01 volume  0.91991E-03 ppm1      4.536 ppm2      7.166 CV     1
 ASSI {  906}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     1.200     1.200 peak   906 spectrum    1 weight  0.10000E+01 volume  0.17428E-02 ppm1      5.102 ppm2      7.240 CV     1
 ASSI {  907}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 16   and name HE% )
      3.500     3.500     2.500 peak   907 spectrum    1 weight  0.10000E+01 volume  0.97090E-03 ppm1      4.476 ppm2      6.731 CV     1
 ASSI {  908}
   (( segid "    " and resid 32   and name HD1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.100     1.200     1.200 peak   908 spectrum    1 weight  0.10000E+01 volume  0.20190E-02 ppm1      7.063 ppm2      7.350 CV     1
 ASSI {  909}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
      2.700     0.900     0.900 peak   909 spectrum    1 weight  0.10000E+01 volume  0.40352E-02 ppm1      4.180 ppm2      3.706 CV     1
 ASSI {  910}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.100     3.100     2.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.18080E-02 ppm1      4.476 ppm2      2.832 CV     1
 ASSI {  914}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 17   and name HB3 ))
      3.400     3.400     2.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.11798E-02 ppm1      2.825 ppm2      2.034 CV     1
 ASSI {  918}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 23   and name HD1%)
      2.300     2.300     3.700 peak   918 spectrum    1 weight  0.10000E+01 volume  0.10608E-01 ppm1      4.535 ppm2      0.978 CV     1
 ASSI {  919}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 23   and name HD2%)
      3.400     1.500     1.500 peak   919 spectrum    1 weight  0.10000E+01 volume  0.10552E-02 ppm1      4.015 ppm2      1.008 CV     1
 ASSI {  920}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 23   and name HD1%)
      3.100     3.100     2.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.19234E-02 ppm1      4.018 ppm2      0.974 CV     1
 ASSI {  921}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
      3.200     1.300     1.300 peak   921 spectrum    1 weight  0.10000E+01 volume  0.16791E-02 ppm1      4.182 ppm2      1.067 CV     1
 ASSI {  922}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 21   and name HG2%)
      3.500     1.600     1.600 peak   922 spectrum    1 weight  0.10000E+01 volume  0.88875E-03 ppm1      4.180 ppm2      1.229 CV     1
 ASSI {  923}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.800     2.800     3.200 peak   923 spectrum    1 weight  0.10000E+01 volume  0.32611E-02 ppm1      5.105 ppm2      1.234 CV     1
 ASSI {  924}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
      3.000     1.200     1.200 peak   924 spectrum    1 weight  0.10000E+01 volume  0.21918E-02 ppm1      5.102 ppm2      1.066 CV     1
 ASSI {  926}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 7    and name HD2%)
      2.400     2.400     3.600 peak   926 spectrum    1 weight  0.10000E+01 volume  0.85476E-02 ppm1      4.297 ppm2      0.710 CV     1
 ASSI {  931}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.800     2.800     3.200 peak   931 spectrum    1 weight  0.10000E+01 volume  0.32193E-02 ppm1      3.913 ppm2      0.765 CV     1
 ASSI {  932}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak   932 spectrum    1 weight  0.10000E+01 volume  0.14737E-02 ppm1      3.912 ppm2      0.852 CV     1
 ASSI {  935}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 7    and name HB2 ))
      3.500     3.500     2.500 peak   935 spectrum    1 weight  0.10000E+01 volume  0.90362E-03 ppm1      3.025 ppm2      1.235 CV     1
 OR {  935}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  936}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 7    and name HG  ))
      2.900     1.000     1.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.31783E-02 ppm1      3.028 ppm2      1.380 CV     1
 OR {  936}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 7    and name HG  ))
 ASSI {  937}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 23   and name HB2 ))
      3.200     1.300     1.300 peak   937 spectrum    1 weight  0.10000E+01 volume  0.14794E-02 ppm1      2.608 ppm2      1.343 CV     1
 ASSI {  938}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
      3.300     1.400     1.400 peak   938 spectrum    1 weight  0.10000E+01 volume  0.12322E-02 ppm1      2.711 ppm2      1.342 CV     1
 ASSI {  939}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 20   and name HG2 ))
      3.700     1.700     1.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.69330E-03 ppm1      2.825 ppm2      1.397 CV     1
 OR {  939}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  940}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 7    and name HB3 ))
      3.500     3.500     2.500 peak   940 spectrum    1 weight  0.10000E+01 volume  0.94895E-03 ppm1      2.826 ppm2      1.318 CV     1
 ASSI {  946}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 22   and name HG2%)
      2.600     0.900     0.900 peak   946 spectrum    1 weight  0.10000E+01 volume  0.53247E-02 ppm1      1.896 ppm2      1.067 CV     1
 ASSI {  947}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 22   and name HG2%)
      2.700     0.900     0.900 peak   947 spectrum    1 weight  0.10000E+01 volume  0.45224E-02 ppm1      2.037 ppm2      1.068 CV     1
 ASSI {  948}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 22   and name HG2%)
      2.600     2.600     3.400 peak   948 spectrum    1 weight  0.10000E+01 volume  0.51618E-02 ppm1      2.201 ppm2      1.067 CV     1
 ASSI {  949}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 23   and name HD2%)
      3.500     1.500     1.500 peak   949 spectrum    1 weight  0.10000E+01 volume  0.90717E-03 ppm1      1.899 ppm2      1.007 CV     1
 ASSI {  950}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 23   and name HD2%)
      3.500     1.500     1.500 peak   950 spectrum    1 weight  0.10000E+01 volume  0.10141E-02 ppm1      2.040 ppm2      1.007 CV     1
 ASSI {  952}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 23   and name HD1%)
      2.800     1.000     1.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.36733E-02 ppm1      2.204 ppm2      0.979 CV     1
 ASSI {  953}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
      3.100     3.100     2.900 peak   953 spectrum    1 weight  0.10000E+01 volume  0.19538E-02 ppm1      1.896 ppm2      0.977 CV     1
 ASSI {  954}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      2.500     2.500     3.500 peak   954 spectrum    1 weight  0.10000E+01 volume  0.75703E-02 ppm1      1.848 ppm2      0.900 CV     1
 ASSI {  955}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
      2.800     1.000     1.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.33383E-02 ppm1      1.947 ppm2      0.897 CV     1
 ASSI {  956}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
      2.400     2.400     3.600 peak   956 spectrum    1 weight  0.10000E+01 volume  0.90787E-02 ppm1      2.432 ppm2      0.977 CV     1
 ASSI {  957}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 23   and name HD1%)
      2.400     2.400     3.600 peak   957 spectrum    1 weight  0.10000E+01 volume  0.93549E-02 ppm1      2.608 ppm2      0.977 CV     1
 ASSI {  958}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 22   and name HG2%)
      2.700     2.700     3.300 peak   958 spectrum    1 weight  0.10000E+01 volume  0.42412E-02 ppm1      2.606 ppm2      1.070 CV     1
 ASSI {  959}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 23   and name HD2%)
      2.700     0.900     0.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.44416E-02 ppm1      2.713 ppm2      1.010 CV     1
 ASSI {  960}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 23   and name HD2%)
      2.200     2.200     3.800 peak   960 spectrum    1 weight  0.10000E+01 volume  0.15983E-01 ppm1      2.828 ppm2      1.007 CV     1
 ASSI {  963}
   (( segid "    " and resid 27   and name HG2 ))
   (  segid "    " and resid 23   and name HD1%)
      2.600     2.600     3.400 peak   963 spectrum    1 weight  0.10000E+01 volume  0.57333E-02 ppm1      3.085 ppm2      0.978 CV     1
 ASSI {  964}
   (( segid "    " and resid 27   and name HG3 ))
   (  segid "    " and resid 23   and name HD1%)
      3.100     3.100     2.900 peak   964 spectrum    1 weight  0.10000E+01 volume  0.21111E-02 ppm1      3.205 ppm2      0.977 CV     1
 ASSI {  967}
   (( segid "    " and resid 27   and name HG2 ))
   (  segid "    " and resid 23   and name HD2%)
      3.700     1.800     1.800 peak   967 spectrum    1 weight  0.10000E+01 volume  0.61894E-03 ppm1      3.091 ppm2      1.011 CV     1
 ASSI {  968}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 23   and name HD2%)
      2.700     2.700     3.300 peak   968 spectrum    1 weight  0.10000E+01 volume  0.44091E-02 ppm1      3.355 ppm2      1.010 CV     1
 ASSI {  969}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 22   and name HG2%)
      3.100     1.200     1.200 peak   969 spectrum    1 weight  0.10000E+01 volume  0.20778E-02 ppm1      3.379 ppm2      1.066 CV     1
 ASSI {  970}
   (( segid "    " and resid 18   and name HE2 ))
   (  segid "    " and resid 22   and name HD1%)
      3.500     3.500     2.500 peak   970 spectrum    1 weight  0.10000E+01 volume  0.10028E-02 ppm1      3.022 ppm2      0.899 CV     1
 OR {  970}
   (( segid "    " and resid 18   and name HE3 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  972}
   (( segid "    " and resid 5    and name HG2 ))
   (  segid "    " and resid 7    and name HD2%)
      3.300     1.400     1.400 peak   972 spectrum    1 weight  0.10000E+01 volume  0.12712E-02 ppm1      1.965 ppm2      0.709 CV     1
 OR {  972}
   (( segid "    " and resid 5    and name HG3 ))
   (  segid "    " and resid 7    and name HD2%)
 ASSI {  974}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 14   and name HD1%)
      3.900     1.900     1.900 peak   974 spectrum    1 weight  0.10000E+01 volume  0.48226E-03 ppm1      1.827 ppm2      0.762 CV     1
 ASSI {  978}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 20   and name HG3 ))
      3.700     1.700     1.700 peak   978 spectrum    1 weight  0.10000E+01 volume  0.66922E-03 ppm1      2.531 ppm2      1.402 CV     1
 ASSI {  979}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 20   and name HG3 ))
      3.900     1.900     1.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.48935E-03 ppm1      2.372 ppm2      1.400 CV     1
 ASSI {  980}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.900     1.100     1.100 peak   980 spectrum    1 weight  0.10000E+01 volume  0.27484E-02 ppm1      3.355 ppm2      1.341 CV     1
 ASSI {  981}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 23   and name HD1%)
      3.000     3.000     3.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.23348E-02 ppm1      2.040 ppm2      0.977 CV     1
 ASSI {  983}
   (( segid "    " and resid 18   and name HD2 ))
   (  segid "    " and resid 7    and name HD2%)
      3.400     1.400     1.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.11012E-02 ppm1      1.709 ppm2      0.709 CV     1
 OR {  983}
   (( segid "    " and resid 18   and name HD3 ))
   (  segid "    " and resid 7    and name HD2%)
 ASSI {  984}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 9    and name HD1%)
      2.200     2.200     3.800 peak   984 spectrum    1 weight  0.10000E+01 volume  0.15367E-01 ppm1      0.769 ppm2     -0.138 CV     1
 ASSI {  985}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 9    and name HD1%)
      3.400     1.400     1.400 peak   985 spectrum    1 weight  0.10000E+01 volume  0.11656E-02 ppm1      1.350 ppm2     -0.140 CV     1
 ASSI {  987}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 9    and name HD1%)
      3.100     1.200     1.200 peak   987 spectrum    1 weight  0.10000E+01 volume  0.19340E-02 ppm1      2.013 ppm2     -0.139 CV     1
 ASSI {  998}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   998 spectrum    1 weight  0.10000E+01 volume  0.16777E-02 ppm1      3.353 ppm2      8.377 CV     1
 ASSI {  999}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.482 ppm2      7.617 CV     1
 ASSI { 1000}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.559 ppm2      7.623 CV     1
 ASSI { 1001}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      2.800     0.900     0.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.39445E-02 ppm1      4.033 ppm2      7.165 CV     1
 ASSI { 1002}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 8    and name HD% )
      2.900     1.100     1.100 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.27406E-02 ppm1      4.480 ppm2      6.948 CV     1
 ASSI { 1003}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 17   and name HB3 ))
      3.500     3.500     2.500 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.92204E-03 ppm1      4.179 ppm2      2.035 CV     1
 ASSI { 1005}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.800     1.000     1.000 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.32399E-02 ppm1      3.205 ppm2      7.166 CV     1
 ASSI { 1006}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 26   and name HD2 ))
      2.700     0.900     0.900 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.41371E-02 ppm1      3.085 ppm2      7.166 CV     1
 ASSI { 1008}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HD2 ))
      3.600     1.600     1.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.75066E-03 ppm1      4.181 ppm2      7.167 CV     1
 ASSI { 1011}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
      3.800     3.800     2.200 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.59840E-03 ppm1      1.677 ppm2      0.770 CV     1
 ASSI { 1014}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 9    and name HD1%)
      2.800     1.000     1.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.33015E-02 ppm1      3.968 ppm2     -0.136 CV     1
 ASSI { 1016}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 23   and name HD1%)
      4.000     2.000     2.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.40791E-03 ppm1      2.713 ppm2      0.980 CV     1
 ASSI { 1017}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 23   and name HD1%)
      3.700     1.700     1.700 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.70392E-03 ppm1      2.826 ppm2      0.979 CV     1
 ASSI { 1020}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     2.900     3.100 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.27718E-02 ppm1      4.176 ppm2      3.362 CV     1
 ASSI { 1022}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 26   and name HE1 ))
      4.000     2.000     2.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.40649E-03 ppm1      7.371 ppm2      7.992 CV     1
 ASSI { 1024}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.839 ppm2      7.996 CV     1
 ASSI { 1025}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 23   and name HD2%)
      3.000     1.100     1.100 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      4.535 ppm2      1.010 CV     1
 ASSI { 1026}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     4.500     0.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.359 ppm2      2.124 CV     1
 ASSI { 1027}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.100     1.200     1.200 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.18285E-02 ppm1      4.470 ppm2      1.693 CV     1
 ASSI { 1028}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HD2 ))
      2.700     0.900     0.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.41605E-02 ppm1      4.470 ppm2      1.631 CV     1
 OR { 1028}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HD3 ))
 ASSI { 1029}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.627 ppm2      7.621 CV     1
 OR { 1029}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1031}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.400 ppm2      7.622 CV     1
 OR { 1031}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1032}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.69755E-03 ppm1      1.393 ppm2      8.417 CV     1
 OR { 1032}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI { 1033}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.695 ppm2      8.418 CV     1
 ASSI { 1037}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
      6.000     4.500     0.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.480 ppm2      1.394 CV     1
 OR { 1037}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI { 1038}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.200     1.300     1.300 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.15247E-02 ppm1      4.470 ppm2      1.559 CV     1
 ASSI { 1039}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.300     2.300     1.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.28964E-03 ppm1      8.319 ppm2      8.558 CV     1
 ASSI { 1040}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.547 ppm2      1.085 CV     1



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  16.678 -19.197   0.212
    2   2H    GLY   1          2H        GLY   1  17.961 -19.462  -0.861
    3   3H    GLY   1          3H        GLY   1  16.359 -19.570  -1.411
    4   1HA   GLY   1          2HA       GLY   1  17.916 -17.398  -1.668
    5   2HA   GLY   1          1HA       GLY   1  16.159 -17.378  -1.700
    6    H    SER   2           H        SER   2  15.633 -15.547  -0.636
    7    HA   SER   2           HA       SER   2  17.001 -14.921   1.873
    8   1HB   SER   2          2HB       SER   2  15.069 -12.975   1.511
    9   2HB   SER   2          1HB       SER   2  16.750 -12.854   0.996
   10    HG   SER   2           HG       SER   2  14.477 -13.594  -0.522
   11    H    ARG   3           H        ARG   3  14.272 -16.543   0.760
   12    HA   ARG   3           HA       ARG   3  12.437 -17.453   1.723
   13   1HB   ARG   3          2HB       ARG   3  14.473 -17.667   3.618
   14   2HB   ARG   3          1HB       ARG   3  13.105 -17.030   4.520
   15   1HG   ARG   3          2HG       ARG   3  11.738 -18.905   3.538
   16   2HG   ARG   3          1HG       ARG   3  13.255 -19.588   2.954
   17   1HD   ARG   3          2HD       ARG   3  13.696 -20.450   4.954
   18   2HD   ARG   3          1HD       ARG   3  13.502 -18.873   5.720
   19    HE   ARG   3           HE       ARG   3  11.278 -20.753   5.205
   20   1HH1  ARG   3          2HH1      ARG   3  12.869 -18.324   7.181
   21   2HH1  ARG   3          1HH1      ARG   3  11.605 -18.294   8.371
   22   1HH2  ARG   3          2HH2      ARG   3   9.621 -20.719   6.781
   23   2HH2  ARG   3          1HH2      ARG   3   9.767 -19.661   8.160
   24    H    LEU   4           H        LEU   4  12.374 -14.699   1.094
   25    HA   LEU   4           HA       LEU   4  10.721 -13.547   3.234
   26   1HB   LEU   4          2HB       LEU   4  12.136 -11.839   2.739
   27   2HB   LEU   4          1HB       LEU   4  12.458 -12.430   1.122
   28    HG   LEU   4           HG       LEU   4   9.837 -11.559   0.956
   29   1HD1  LEU   4          1HD1      LEU   4  10.757  -9.087   1.921
   30   2HD1  LEU   4          2HD1      LEU   4   9.433 -10.070   2.547
   31   3HD1  LEU   4          3HD1      LEU   4  11.061 -10.266   3.198
   32   1HD2  LEU   4          1HD2      LEU   4  12.253  -9.881   0.333
   33   2HD2  LEU   4          2HD2      LEU   4  11.784 -11.287  -0.622
   34   3HD2  LEU   4          3HD2      LEU   4  10.698  -9.903  -0.499
   35    HA   PRO   5           HA       PRO   5   7.337 -14.849   0.600
   36   1HB   PRO   5          2HB       PRO   5   5.362 -14.173   2.326
   37   2HB   PRO   5          1HB       PRO   5   6.316 -15.651   2.495
   38   1HG   PRO   5          2HG       PRO   5   6.587 -13.042   3.930
   39   2HG   PRO   5          1HG       PRO   5   6.722 -14.691   4.569
   40   1HD   PRO   5          2HD       PRO   5   8.881 -13.144   3.984
   41   2HD   PRO   5          1HD       PRO   5   8.905 -14.915   3.875
   42    H    LYS   6           H        LYS   6   6.697 -13.658  -1.029
   43    HA   LYS   6           HA       LYS   6   6.542 -10.793  -0.868
   44   1HB   LYS   6          2HB       LYS   6   6.544 -12.818  -2.964
   45   2HB   LYS   6          1HB       LYS   6   5.358 -11.556  -3.270
   46   1HG   LYS   6          2HG       LYS   6   8.231 -10.971  -2.612
   47   2HG   LYS   6          1HG       LYS   6   7.640 -11.188  -4.260
   48   1HD   LYS   6          2HD       LYS   6   5.867  -9.383  -3.068
   49   2HD   LYS   6          1HD       LYS   6   7.476  -8.874  -2.546
   50   1HE   LYS   6          2HE       LYS   6   7.176  -9.586  -5.396
   51   2HE   LYS   6          1HE       LYS   6   6.363  -8.115  -4.869
   52   1HZ   LYS   6          1HZ       LYS   6   8.420  -7.327  -5.438
   53   2HZ   LYS   6          2HZ       LYS   6   9.233  -8.727  -4.940
   54   3HZ   LYS   6          3HZ       LYS   6   8.661  -7.622  -3.787
   55    H    LEU   7           H        LEU   7   4.879  -9.825   0.056
   56    HA   LEU   7           HA       LEU   7   2.281 -11.142   0.112
   57   1HB   LEU   7          2HB       LEU   7   3.682  -9.152   1.751
   58   2HB   LEU   7          1HB       LEU   7   1.983  -8.804   1.505
   59    HG   LEU   7           HG       LEU   7   2.028 -10.001   3.502
   60   1HD1  LEU   7          1HD1      LEU   7   0.431 -10.906   1.783
   61   2HD1  LEU   7          2HD1      LEU   7   1.592 -12.201   1.491
   62   3HD1  LEU   7          3HD1      LEU   7   0.855 -12.020   3.083
   63   1HD2  LEU   7          1HD2      LEU   7   4.472 -10.902   2.700
   64   2HD2  LEU   7          2HD2      LEU   7   3.605 -11.452   4.135
   65   3HD2  LEU   7          3HD2      LEU   7   3.501 -12.375   2.635
   66    H    TYR   8           H        TYR   8   0.456  -9.221   0.167
   67    HA   TYR   8           HA       TYR   8   0.432  -8.342  -2.556
   68   1HB   TYR   8          2HB       TYR   8  -1.561  -8.343  -0.292
   69   2HB   TYR   8          1HB       TYR   8  -1.909  -7.703  -1.887
   70    HD1  TYR   8           1HD      TYR   8  -2.159  -9.182  -3.810
   71    HD2  TYR   8           2HD      TYR   8  -1.274 -10.722   0.054
   72    HE1  TYR   8           1HE      TYR   8  -2.696 -11.448  -4.597
   73    HE2  TYR   8           2HE      TYR   8  -1.810 -12.991  -0.719
   74    HH   TYR   8           HH       TYR   8  -2.096 -13.803  -3.969
   75    H    LEU   9           H        LEU   9   1.771  -6.615  -2.771
   76    HA   LEU   9           HA       LEU   9   1.885  -4.511  -0.851
   77   1HB   LEU   9          2HB       LEU   9   3.782  -5.304  -2.287
   78   2HB   LEU   9          1HB       LEU   9   2.994  -4.548  -3.658
   79    HG   LEU   9           HG       LEU   9   3.213  -2.350  -2.557
   80   1HD1  LEU   9          1HD1      LEU   9   3.219  -3.158  -0.229
   81   2HD1  LEU   9          2HD1      LEU   9   4.825  -3.836  -0.491
   82   3HD1  LEU   9          3HD1      LEU   9   4.580  -2.093  -0.580
   83   1HD2  LEU   9          1HD2      LEU   9   5.774  -3.912  -2.841
   84   2HD2  LEU   9          2HD2      LEU   9   4.913  -3.063  -4.124
   85   3HD2  LEU   9          3HD2      LEU   9   5.652  -2.153  -2.805
   86    H    CYS  10           H        CYS  10   0.819  -2.646  -0.786
   87    HA   CYS  10           HA       CYS  10  -1.214  -2.005  -2.693
   88   1HB   CYS  10          2HB       CYS  10  -1.877  -1.343  -0.558
   89   2HB   CYS  10          1HB       CYS  10  -0.256  -0.849  -0.097
   90    H    GLU  11           H        GLU  11  -1.123  -0.394  -4.110
   91    HA   GLU  11           HA       GLU  11   1.550   0.476  -4.883
   92   1HB   GLU  11          2HB       GLU  11  -1.059   0.412  -6.405
   93   2HB   GLU  11          1HB       GLU  11   0.445   1.046  -7.061
   94   1HG   GLU  11          2HG       GLU  11   1.475  -1.075  -7.018
   95   2HG   GLU  11          1HG       GLU  11   0.188  -1.760  -6.027
   96    H    PHE  12           H        PHE  12  -0.734   1.701  -2.982
   97    HA   PHE  12           HA       PHE  12  -0.494   4.443  -4.033
   98   1HB   PHE  12          2HB       PHE  12  -2.409   3.491  -1.904
   99   2HB   PHE  12          1HB       PHE  12  -2.455   5.011  -2.790
  100    HD1  PHE  12           1HD      PHE  12  -3.258   1.462  -2.864
  101    HD2  PHE  12           2HD      PHE  12  -3.204   5.074  -5.118
  102    HE1  PHE  12           1HE      PHE  12  -4.761   0.442  -4.523
  103    HE2  PHE  12           2HE      PHE  12  -4.710   4.060  -6.781
  104    HZ   PHE  12           HZ       PHE  12  -5.492   1.745  -6.482
  105    H    CYS  13           H        CYS  13  -0.260   2.561  -1.006
  106    HA   CYS  13           HA       CYS  13   1.525   4.685  -0.011
  107   1HB   CYS  13          2HB       CYS  13   0.819   4.294   2.251
  108   2HB   CYS  13          1HB       CYS  13  -0.619   4.560   1.272
  109    H    LEU  14           H        LEU  14   1.256   1.552  -1.016
  110    HA   LEU  14           HA       LEU  14   2.655  -0.204  -1.129
  111   1HB   LEU  14          2HB       LEU  14   4.694   1.784  -0.140
  112   2HB   LEU  14          1HB       LEU  14   5.061   0.213  -0.825
  113    HG   LEU  14           HG       LEU  14   3.415   2.000  -2.514
  114   1HD1  LEU  14          1HD1      LEU  14   5.251   3.357  -3.234
  115   2HD1  LEU  14          2HD1      LEU  14   5.083   3.533  -1.488
  116   3HD1  LEU  14          3HD1      LEU  14   6.363   2.517  -2.149
  117   1HD2  LEU  14          1HD2      LEU  14   4.346   0.822  -4.218
  118   2HD2  LEU  14          2HD2      LEU  14   5.900   0.647  -3.403
  119   3HD2  LEU  14          3HD2      LEU  14   4.537  -0.367  -2.931
  120    H    LYS  15           H        LYS  15   1.307  -1.024   0.634
  121    HA   LYS  15           HA       LYS  15   3.023  -1.742   2.912
  122   1HB   LYS  15          2HB       LYS  15   0.007  -1.525   3.001
  123   2HB   LYS  15          1HB       LYS  15   1.054  -2.009   4.325
  124   1HG   LYS  15          2HG       LYS  15   0.899   0.713   3.051
  125   2HG   LYS  15          1HG       LYS  15   0.318   0.252   4.652
  126   1HD   LYS  15          2HD       LYS  15   2.410   0.226   5.556
  127   2HD   LYS  15          1HD       LYS  15   3.177  -0.250   4.039
  128   1HE   LYS  15          2HE       LYS  15   3.493   2.175   5.011
  129   2HE   LYS  15          1HE       LYS  15   3.321   1.909   3.276
  130   1HZ   LYS  15          1HZ       LYS  15   1.101   2.642   5.107
  131   2HZ   LYS  15          2HZ       LYS  15   1.000   2.482   3.418
  132   3HZ   LYS  15          3HZ       LYS  15   1.925   3.732   4.100
  133    H    TYR  16           H        TYR  16   2.683  -3.973   3.652
  134    HA   TYR  16           HA       TYR  16   1.925  -5.654   1.392
  135   1HB   TYR  16          2HB       TYR  16   3.600  -6.102   3.842
  136   2HB   TYR  16          1HB       TYR  16   3.034  -7.453   2.859
  137    HD1  TYR  16           1HD      TYR  16   3.464  -7.142   0.252
  138    HD2  TYR  16           2HD      TYR  16   5.648  -5.192   3.333
  139    HE1  TYR  16           1HE      TYR  16   5.326  -6.778  -1.311
  140    HE2  TYR  16           2HE      TYR  16   7.524  -4.833   1.783
  141    HH   TYR  16           HH       TYR  16   7.933  -4.675  -0.592
  142    H    MET  17           H        MET  17  -0.124  -6.180   1.351
  143    HA   MET  17           HA       MET  17  -1.614  -6.676   3.803
  144   1HB   MET  17          2HB       MET  17  -2.640  -7.023   0.985
  145   2HB   MET  17          1HB       MET  17  -3.566  -6.729   2.446
  146   1HG   MET  17          2HG       MET  17  -1.832  -4.797   0.938
  147   2HG   MET  17          1HG       MET  17  -3.574  -4.721   1.204
  148   1HE   MET  17          1HE       MET  17  -4.352  -5.168   3.674
  149   2HE   MET  17          2HE       MET  17  -3.754  -4.216   5.032
  150   3HE   MET  17          3HE       MET  17  -4.588  -3.421   3.694
  151    H    LYS  18           H        LYS  18  -2.579  -8.674   4.314
  152    HA   LYS  18           HA       LYS  18  -0.916 -10.898   3.587
  153   1HB   LYS  18          2HB       LYS  18  -3.400 -10.947   5.306
  154   2HB   LYS  18          1HB       LYS  18  -2.108 -12.138   5.275
  155   1HG   LYS  18          2HG       LYS  18  -1.447  -9.319   5.967
  156   2HG   LYS  18          1HG       LYS  18  -2.243 -10.334   7.170
  157   1HD   LYS  18          2HD       LYS  18  -0.292 -11.273   7.666
  158   2HD   LYS  18          1HD       LYS  18  -0.134 -11.835   6.001
  159   1HE   LYS  18          2HE       LYS  18   1.118  -9.987   5.361
  160   2HE   LYS  18          1HE       LYS  18   0.548  -9.010   6.714
  161   1HZ   LYS  18          1HZ       LYS  18   1.974 -10.068   8.184
  162   2HZ   LYS  18          2HZ       LYS  18   2.921  -9.928   6.782
  163   3HZ   LYS  18          3HZ       LYS  18   2.199 -11.413   7.176
  164    H    SER  19           H        SER  19  -4.246  -9.946   2.950
  165    HA   SER  19           HA       SER  19  -4.463 -12.250   1.131
  166   1HB   SER  19          2HB       SER  19  -6.998 -11.050   1.964
  167   2HB   SER  19          1HB       SER  19  -6.504 -12.741   1.956
  168    HG   SER  19           HG       SER  19  -5.734 -12.558   3.963
  169    H    ARG  20           H        ARG  20  -5.536 -11.942  -0.848
  170    HA   ARG  20           HA       ARG  20  -5.111  -9.437  -2.119
  171   1HB   ARG  20          2HB       ARG  20  -5.207 -11.832  -3.117
  172   2HB   ARG  20          1HB       ARG  20  -6.947 -11.578  -3.155
  173   1HG   ARG  20          2HG       ARG  20  -6.179  -9.330  -4.358
  174   2HG   ARG  20          1HG       ARG  20  -4.811 -10.363  -4.783
  175   1HD   ARG  20          2HD       ARG  20  -6.029 -11.582  -6.214
  176   2HD   ARG  20          1HD       ARG  20  -7.401 -11.665  -5.109
  177    HE   ARG  20           HE       ARG  20  -6.882  -9.549  -7.081
  178   1HH1  ARG  20          2HH1      ARG  20  -9.002 -11.076  -4.746
  179   2HH1  ARG  20          1HH1      ARG  20 -10.405 -10.167  -5.234
  180   1HH2  ARG  20          2HH2      ARG  20  -8.722  -8.350  -7.726
  181   2HH2  ARG  20          1HH2      ARG  20 -10.241  -8.595  -6.913
  182    H    THR  21           H        THR  21  -7.895 -11.078  -0.740
  183    HA   THR  21           HA       THR  21  -9.937  -9.361  -1.588
  184    HB   THR  21           HB       THR  21 -10.732 -10.174   0.921
  185    HG1  THR  21           1HG      THR  21  -9.834 -12.282   1.165
  186   1HG2  THR  21          1HG2      THR  21 -11.893 -10.533  -1.245
  187   2HG2  THR  21          2HG2      THR  21 -11.886 -11.976  -0.226
  188   3HG2  THR  21          3HG2      THR  21 -10.773 -11.851  -1.590
  189    H    ILE  22           H        ILE  22  -7.949  -9.318   1.353
  190    HA   ILE  22           HA       ILE  22  -9.092  -6.987   2.462
  191    HB   ILE  22           HB       ILE  22  -6.646  -8.601   2.992
  192   1HG1  ILE  22          2HG1      ILE  22  -8.539  -7.529   5.043
  193   1HG2  ILE  22          1HG2      ILE  22  -5.997  -6.980   4.789
  194   2HG2  ILE  22          2HG2      ILE  22  -5.675  -6.439   3.143
  195   3HG2  ILE  22          3HG2      ILE  22  -7.065  -5.805   4.022
  196   1HD1  ILE  22          1HD1      ILE  22  -7.748 -10.370   4.879
  197   2HD1  ILE  22          2HD1      ILE  22  -6.514  -9.199   5.344
  198   3HD1  ILE  22          3HD1      ILE  22  -7.998  -9.334   6.285
  199    H    LEU  23           H        LEU  23  -6.413  -7.550   0.254
  200    HA   LEU  23           HA       LEU  23  -5.354  -4.932   0.253
  201   1HB   LEU  23          2HB       LEU  23  -4.023  -6.659  -0.675
  202   2HB   LEU  23          1HB       LEU  23  -5.301  -7.169  -1.759
  203    HG   LEU  23           HG       LEU  23  -5.038  -4.931  -2.928
  204   1HD1  LEU  23          1HD1      LEU  23  -3.828  -3.823  -1.078
  205   2HD1  LEU  23          2HD1      LEU  23  -2.442  -4.864  -1.401
  206   3HD1  LEU  23          3HD1      LEU  23  -2.986  -3.715  -2.624
  207   1HD2  LEU  23          1HD2      LEU  23  -2.444  -6.272  -3.235
  208   2HD2  LEU  23          2HD2      LEU  23  -3.859  -7.323  -3.352
  209   3HD2  LEU  23          3HD2      LEU  23  -3.704  -5.930  -4.426
  210    H    GLN  24           H        GLN  24  -7.915  -6.493  -1.607
  211    HA   GLN  24           HA       GLN  24  -8.451  -4.367  -3.381
  212   1HB   GLN  24          2HB       GLN  24 -10.231  -6.559  -2.304
  213   2HB   GLN  24          1HB       GLN  24 -10.733  -5.428  -3.553
  214   1HG   GLN  24          2HG       GLN  24  -8.577  -7.509  -3.701
  215   2HG   GLN  24          1HG       GLN  24 -10.056  -7.401  -4.651
  216   1HE2  GLN  24          1HE2      GLN  24 -10.129  -4.931  -5.587
  217   2HE2  GLN  24          2HE2      GLN  24  -8.728  -4.558  -6.541
  218    H    GLN  25           H        GLN  25  -9.734  -5.166  -0.180
  219    HA   GLN  25           HA       GLN  25 -11.572  -3.021   0.006
  220   1HB   GLN  25          2HB       GLN  25 -10.146  -4.713   2.056
  221   2HB   GLN  25          1HB       GLN  25 -11.239  -3.418   2.526
  222   1HG   GLN  25          2HG       GLN  25 -13.052  -4.616   2.048
  223   2HG   GLN  25          1HG       GLN  25 -12.366  -5.241   0.550
  224   1HE2  GLN  25          1HE2      GLN  25 -12.991  -7.316   0.837
  225   2HE2  GLN  25          2HE2      GLN  25 -12.363  -8.354   2.080
  226    H    HIS  26           H        HIS  26  -8.183  -3.386   0.888
  227    HA   HIS  26           HA       HIS  26  -7.835  -0.866   2.117
  228   1HB   HIS  26          2HB       HIS  26  -6.227  -2.657   2.460
  229   2HB   HIS  26          1HB       HIS  26  -5.846  -2.695   0.743
  230    HD1  HIS  26           1HD      HIS  26  -4.812  -1.116   3.909
  231    HD2  HIS  26           2HD      HIS  26  -4.486  -0.304  -0.177
  232    HE1  HIS  26           1HE      HIS  26  -3.014   0.672   3.658
  233    H    MET  27           H        MET  27  -7.642  -1.963  -1.212
  234    HA   MET  27           HA       MET  27  -6.431   0.348  -2.280
  235   1HB   MET  27          2HB       MET  27  -7.968  -1.943  -3.437
  236   2HB   MET  27          1HB       MET  27  -7.583  -0.555  -4.448
  237   1HG   MET  27          2HG       MET  27  -5.177  -0.887  -3.695
  238   2HG   MET  27          1HG       MET  27  -5.707  -2.458  -3.097
  239   1HE   MET  27          1HE       MET  27  -3.952  -3.957  -5.717
  240   2HE   MET  27          2HE       MET  27  -3.406  -2.315  -6.055
  241   3HE   MET  27          3HE       MET  27  -3.650  -2.838  -4.389
  242    H    LYS  28           H        LYS  28  -9.614  -0.259  -1.218
  243    HA   LYS  28           HA       LYS  28 -10.844   1.866  -2.745
  244   1HB   LYS  28          2HB       LYS  28 -11.705  -0.088  -0.700
  245   2HB   LYS  28          1HB       LYS  28 -12.526   1.467  -0.643
  246   1HG   LYS  28          2HG       LYS  28 -13.909   0.436  -2.093
  247   2HG   LYS  28          1HG       LYS  28 -12.712   0.985  -3.266
  248   1HD   LYS  28          2HD       LYS  28 -11.553  -1.283  -2.752
  249   2HD   LYS  28          1HD       LYS  28 -13.134  -1.749  -2.124
  250   1HE   LYS  28          2HE       LYS  28 -12.746  -0.590  -4.872
  251   2HE   LYS  28          1HE       LYS  28 -12.668  -2.321  -4.548
  252   1HZ   LYS  28          1HZ       LYS  28 -14.996  -0.524  -4.143
  253   2HZ   LYS  28          2HZ       LYS  28 -14.940  -2.125  -3.587
  254   3HZ   LYS  28          3HZ       LYS  28 -14.861  -1.801  -5.253
  255    H    LYS  29           H        LYS  29  -9.601   1.328   0.500
  256    HA   LYS  29           HA       LYS  29 -10.174   3.872   1.566
  257   1HB   LYS  29          2HB       LYS  29  -9.702   2.148   3.111
  258   2HB   LYS  29          1HB       LYS  29  -8.216   1.704   2.284
  259   1HG   LYS  29          2HG       LYS  29  -8.224   4.447   3.296
  260   2HG   LYS  29          1HG       LYS  29  -8.382   3.214   4.548
  261   1HD   LYS  29          2HD       LYS  29  -6.307   2.333   4.138
  262   2HD   LYS  29          1HD       LYS  29  -6.312   2.827   2.442
  263   1HE   LYS  29          2HE       LYS  29  -6.413   5.157   4.081
  264   2HE   LYS  29          1HE       LYS  29  -5.105   4.124   4.656
  265   1HZ   LYS  29          1HZ       LYS  29  -3.875   4.657   2.906
  266   2HZ   LYS  29          2HZ       LYS  29  -5.030   5.838   2.508
  267   3HZ   LYS  29          3HZ       LYS  29  -5.116   4.294   1.813
  268    H    CYS  30           H        CYS  30  -7.318   2.532   0.001
  269    HA   CYS  30           HA       CYS  30  -5.854   4.997   0.193
  270   1HB   CYS  30          2HB       CYS  30  -5.274   2.263  -0.221
  271   2HB   CYS  30          1HB       CYS  30  -4.724   3.113  -1.654
  272    H    GLY  31           H        GLY  31  -8.321   4.007  -1.710
  273   1HA   GLY  31          1HA       GLY  31  -7.370   5.489  -4.069
  274   2HA   GLY  31          2HA       GLY  31  -8.679   4.305  -4.079
  275    H    TRP  32           H        TRP  32  -8.742   6.290  -1.357
  276    HA   TRP  32           HA       TRP  32 -11.090   7.673  -2.353
  277   1HB   TRP  32          2HB       TRP  32  -9.808   7.379   0.352
  278   2HB   TRP  32          1HB       TRP  32 -11.032   8.612   0.072
  279    HD1  TRP  32           HD       TRP  32 -11.067   5.646   1.782
  280    HE1  TRP  32           1HE      TRP  32 -13.205   4.238   1.487
  281    HE3  TRP  32           3HE      TRP  32 -12.890   7.819  -2.475
  282    HZ2  TRP  32           2HZ      TRP  32 -15.369   4.079  -0.296
  283    HZ3  TRP  32           3HZ      TRP  32 -15.010   6.985  -3.402
  284    HH2  TRP  32           HH       TRP  32 -16.222   5.153  -2.335
  285    H    PHE  33           H        PHE  33  -9.378   8.662  -3.915
  286    HA   PHE  33           HA       PHE  33  -8.763  11.313  -2.860
  287   1HB   PHE  33          2HB       PHE  33  -6.542  11.346  -3.802
  288   2HB   PHE  33          1HB       PHE  33  -6.678   9.949  -2.734
  289    HD1  PHE  33           1HD      PHE  33  -7.017   7.673  -3.766
  290    HD2  PHE  33           2HD      PHE  33  -5.943  11.099  -6.047
  291    HE1  PHE  33           1HE      PHE  33  -6.213   6.213  -5.575
  292    HE2  PHE  33           2HE      PHE  33  -5.146   9.645  -7.862
  293    HZ   PHE  33           HZ       PHE  33  -5.280   7.198  -7.631
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  16.085  -9.568   4.063
    2   2H    GLY   1          2H        GLY   1  17.183 -10.844   4.269
    3   3H    GLY   1          3H        GLY   1  15.530 -11.171   4.105
    4   1HA   GLY   1          2HA       GLY   1  17.445 -11.065   2.105
    5   2HA   GLY   1          1HA       GLY   1  15.712 -11.304   1.925
    6    H    SER   2           H        SER   2  14.496  -9.707   1.057
    7    HA   SER   2           HA       SER   2  15.835  -7.498  -0.172
    8   1HB   SER   2          2HB       SER   2  13.033  -7.114  -0.295
    9   2HB   SER   2          1HB       SER   2  14.086  -7.763  -1.553
   10    HG   SER   2           HG       SER   2  13.150  -9.614  -1.246
   11    H    ARG   3           H        ARG   3  13.158  -7.679   2.154
   12    HA   ARG   3           HA       ARG   3  14.260  -5.802   3.945
   13   1HB   ARG   3          2HB       ARG   3  13.318  -4.451   1.836
   14   2HB   ARG   3          1HB       ARG   3  11.807  -4.642   2.712
   15   1HG   ARG   3          2HG       ARG   3  12.629  -2.578   3.406
   16   2HG   ARG   3          1HG       ARG   3  13.050  -3.679   4.721
   17   1HD   ARG   3          2HD       ARG   3  14.886  -2.127   4.085
   18   2HD   ARG   3          1HD       ARG   3  15.312  -3.833   3.958
   19    HE   ARG   3           HE       ARG   3  14.828  -3.544   1.499
   20   1HH1  ARG   3          2HH1      ARG   3  15.994  -0.939   3.526
   21   2HH1  ARG   3          1HH1      ARG   3  16.676  -0.040   2.200
   22   1HH2  ARG   3          2HH2      ARG   3  15.754  -2.410  -0.240
   23   2HH2  ARG   3          1HH2      ARG   3  16.538  -0.878   0.050
   24    H    LEU   4           H        LEU   4  10.903  -6.031   2.911
   25    HA   LEU   4           HA       LEU   4  10.284  -7.651   5.295
   26   1HB   LEU   4          2HB       LEU   4   9.283  -5.134   4.644
   27   2HB   LEU   4          1HB       LEU   4   8.032  -6.230   4.093
   28    HG   LEU   4           HG       LEU   4   8.721  -7.110   6.667
   29   1HD1  LEU   4          1HD1      LEU   4   8.168  -4.971   7.932
   30   2HD1  LEU   4          2HD1      LEU   4   9.803  -5.130   7.293
   31   3HD1  LEU   4          3HD1      LEU   4   8.626  -4.117   6.459
   32   1HD2  LEU   4          1HD2      LEU   4   6.387  -5.577   5.546
   33   2HD2  LEU   4          2HD2      LEU   4   6.524  -7.314   5.819
   34   3HD2  LEU   4          3HD2      LEU   4   6.422  -6.211   7.190
   35    HA   PRO   5           HA       PRO   5   8.851 -10.826   2.562
   36   1HB   PRO   5          2HB       PRO   5   6.347 -11.385   3.626
   37   2HB   PRO   5          1HB       PRO   5   7.870 -12.076   4.191
   38   1HG   PRO   5          2HG       PRO   5   6.306  -9.778   5.285
   39   2HG   PRO   5          1HG       PRO   5   7.193 -11.047   6.150
   40   1HD   PRO   5          2HD       PRO   5   8.209  -8.587   5.891
   41   2HD   PRO   5          1HD       PRO   5   9.251 -10.021   5.799
   42    H    LYS   6           H        LYS   6   8.016 -10.703   0.590
   43    HA   LYS   6           HA       LYS   6   6.495  -8.392  -0.133
   44   1HB   LYS   6          2HB       LYS   6   7.932 -10.549  -1.539
   45   2HB   LYS   6          1HB       LYS   6   6.561  -9.870  -2.407
   46   1HG   LYS   6          2HG       LYS   6   7.510  -7.646  -2.216
   47   2HG   LYS   6          1HG       LYS   6   8.862  -8.288  -1.278
   48   1HD   LYS   6          2HD       LYS   6   9.834  -9.280  -3.109
   49   2HD   LYS   6          1HD       LYS   6   8.298  -9.460  -3.958
   50   1HE   LYS   6          2HE       LYS   6   8.239  -7.106  -4.450
   51   2HE   LYS   6          1HE       LYS   6   9.684  -6.829  -3.478
   52   1HZ   LYS   6          1HZ       LYS   6   9.459  -8.200  -6.089
   53   2HZ   LYS   6          2HZ       LYS   6  10.809  -8.431  -5.088
   54   3HZ   LYS   6          3HZ       LYS   6  10.436  -6.879  -5.664
   55    H    LEU   7           H        LEU   7   4.571  -8.701   0.991
   56    HA   LEU   7           HA       LEU   7   2.830 -10.922   0.374
   57   1HB   LEU   7          2HB       LEU   7   2.691  -8.485   2.090
   58   2HB   LEU   7          1HB       LEU   7   1.192  -9.236   1.614
   59    HG   LEU   7           HG       LEU   7   1.996  -9.892   3.863
   60   1HD1  LEU   7          1HD1      LEU   7   0.545 -11.311   2.294
   61   2HD1  LEU   7          2HD1      LEU   7   1.991 -12.296   2.068
   62   3HD1  LEU   7          3HD1      LEU   7   1.294 -12.108   3.677
   63   1HD2  LEU   7          1HD2      LEU   7   3.900 -11.862   3.034
   64   2HD2  LEU   7          2HD2      LEU   7   4.441 -10.258   2.539
   65   3HD2  LEU   7          3HD2      LEU   7   4.066 -10.579   4.232
   66    H    TYR   8           H        TYR   8   0.479  -9.044   0.447
   67    HA   TYR   8           HA       TYR   8   0.403  -8.420  -2.405
   68   1HB   TYR   8          2HB       TYR   8  -1.796  -8.271  -0.320
   69   2HB   TYR   8          1HB       TYR   8  -2.001  -8.067  -2.062
   70    HD1  TYR   8           1HD      TYR   8  -2.389  -9.923  -3.439
   71    HD2  TYR   8           2HD      TYR   8  -0.951 -10.530   0.516
   72    HE1  TYR   8           1HE      TYR   8  -2.716 -12.347  -3.693
   73    HE2  TYR   8           2HE      TYR   8  -1.269 -12.946   0.275
   74    HH   TYR   8           HH       TYR   8  -2.568 -14.514  -1.046
   75    H    LEU   9           H        LEU   9   1.810  -6.668  -2.398
   76    HA   LEU   9           HA       LEU   9   1.349  -4.403  -0.681
   77   1HB   LEU   9          2HB       LEU   9   3.609  -5.060  -1.273
   78   2HB   LEU   9          1HB       LEU   9   3.249  -4.867  -2.977
   79    HG   LEU   9           HG       LEU   9   2.687  -2.367  -2.045
   80   1HD1  LEU   9          1HD1      LEU   9   5.090  -2.201  -0.732
   81   2HD1  LEU   9          2HD1      LEU   9   3.499  -2.184   0.032
   82   3HD1  LEU   9          3HD1      LEU   9   4.403  -3.694  -0.091
   83   1HD2  LEU   9          1HD2      LEU   9   5.272  -3.541  -3.056
   84   2HD2  LEU   9          2HD2      LEU   9   3.992  -2.769  -3.996
   85   3HD2  LEU   9          3HD2      LEU   9   4.982  -1.806  -2.898
   86    H    CYS  10           H        CYS  10   0.320  -2.514  -1.195
   87    HA   CYS  10           HA       CYS  10  -1.320  -2.424  -3.479
   88   1HB   CYS  10          2HB       CYS  10  -1.150   0.129  -2.322
   89   2HB   CYS  10          1HB       CYS  10  -2.391  -1.086  -2.069
   90    H    GLU  11           H        GLU  11  -1.152   0.353  -3.949
   91    HA   GLU  11           HA       GLU  11   1.418   0.694  -5.316
   92   1HB   GLU  11          2HB       GLU  11  -1.309   0.952  -6.591
   93   2HB   GLU  11          1HB       GLU  11   0.182   1.523  -7.329
   94   1HG   GLU  11          2HG       GLU  11  -0.002  -1.322  -6.471
   95   2HG   GLU  11          1HG       GLU  11  -0.828  -0.814  -7.944
   96    H    PHE  12           H        PHE  12  -0.772   1.917  -3.214
   97    HA   PHE  12           HA       PHE  12  -0.224   4.695  -4.001
   98   1HB   PHE  12          2HB       PHE  12  -2.453   3.903  -2.145
   99   2HB   PHE  12          1HB       PHE  12  -2.285   5.368  -3.107
  100    HD1  PHE  12           1HD      PHE  12  -2.648   5.271  -5.564
  101    HD2  PHE  12           2HD      PHE  12  -3.474   1.956  -3.029
  102    HE1  PHE  12           1HE      PHE  12  -4.027   4.263  -7.334
  103    HE2  PHE  12           2HE      PHE  12  -4.852   0.938  -4.795
  104    HZ   PHE  12           HZ       PHE  12  -5.129   2.094  -6.952
  105    H    CYS  13           H        CYS  13  -1.003   2.919  -0.979
  106    HA   CYS  13           HA       CYS  13   0.853   4.675   0.444
  107   1HB   CYS  13          2HB       CYS  13  -0.246   4.151   2.383
  108   2HB   CYS  13          1HB       CYS  13  -1.546   3.817   1.249
  109    H    LEU  14           H        LEU  14   0.660   1.682  -1.029
  110    HA   LEU  14           HA       LEU  14   2.027  -0.061  -1.303
  111   1HB   LEU  14          2HB       LEU  14   4.174   1.808  -0.306
  112   2HB   LEU  14          1HB       LEU  14   4.414   0.356  -1.258
  113    HG   LEU  14           HG       LEU  14   2.681   2.479  -2.411
  114   1HD1  LEU  14          1HD1      LEU  14   4.228   4.059  -2.534
  115   2HD1  LEU  14          2HD1      LEU  14   5.216   3.115  -1.421
  116   3HD1  LEU  14          3HD1      LEU  14   5.412   2.914  -3.160
  117   1HD2  LEU  14          1HD2      LEU  14   2.852   1.017  -4.079
  118   2HD2  LEU  14          2HD2      LEU  14   4.526   1.542  -4.255
  119   3HD2  LEU  14          3HD2      LEU  14   4.143   0.135  -3.265
  120    H    LYS  15           H        LYS  15   0.843  -1.027   0.472
  121    HA   LYS  15           HA       LYS  15   2.691  -1.685   2.685
  122   1HB   LYS  15          2HB       LYS  15   0.277  -0.310   2.965
  123   2HB   LYS  15          1HB       LYS  15  -0.102  -1.961   3.430
  124   1HG   LYS  15          2HG       LYS  15   0.551  -0.513   5.324
  125   2HG   LYS  15          1HG       LYS  15   1.578  -1.935   5.135
  126   1HD   LYS  15          2HD       LYS  15   3.052  -0.152   5.575
  127   2HD   LYS  15          1HD       LYS  15   3.165  -0.430   3.838
  128   1HE   LYS  15          2HE       LYS  15   1.263   1.393   3.767
  129   2HE   LYS  15          1HE       LYS  15   1.949   1.844   5.328
  130   1HZ   LYS  15          1HZ       LYS  15   3.101   2.056   2.655
  131   2HZ   LYS  15          2HZ       LYS  15   4.164   1.673   3.919
  132   3HZ   LYS  15          3HZ       LYS  15   3.250   3.098   3.984
  133    H    TYR  16           H        TYR  16   2.732  -3.834   3.322
  134    HA   TYR  16           HA       TYR  16   1.843  -5.687   1.320
  135   1HB   TYR  16          2HB       TYR  16   3.376  -6.003   3.903
  136   2HB   TYR  16          1HB       TYR  16   2.976  -7.359   2.853
  137    HD1  TYR  16           1HD      TYR  16   3.517  -6.623   0.221
  138    HD2  TYR  16           2HD      TYR  16   5.569  -5.356   3.720
  139    HE1  TYR  16           1HE      TYR  16   5.529  -6.179  -1.130
  140    HE2  TYR  16           2HE      TYR  16   7.589  -4.917   2.388
  141    HH   TYR  16           HH       TYR  16   7.574  -5.184  -1.136
  142    H    MET  17           H        MET  17  -0.214  -6.305   1.294
  143    HA   MET  17           HA       MET  17  -1.690  -6.621   3.795
  144   1HB   MET  17          2HB       MET  17  -2.567  -6.847   0.909
  145   2HB   MET  17          1HB       MET  17  -3.632  -7.090   2.285
  146   1HG   MET  17          2HG       MET  17  -2.140  -4.547   1.689
  147   2HG   MET  17          1HG       MET  17  -3.832  -4.852   1.294
  148   1HE   MET  17          1HE       MET  17  -1.260  -3.756   3.663
  149   2HE   MET  17          2HE       MET  17  -2.397  -2.428   3.431
  150   3HE   MET  17          3HE       MET  17  -2.181  -3.135   5.032
  151    H    LYS  18           H        LYS  18  -2.673  -8.558   4.424
  152    HA   LYS  18           HA       LYS  18  -1.022 -10.830   3.899
  153   1HB   LYS  18          2HB       LYS  18  -2.880  -9.999   5.908
  154   2HB   LYS  18          1HB       LYS  18  -3.310 -11.619   5.376
  155   1HG   LYS  18          2HG       LYS  18  -1.813 -11.758   7.249
  156   2HG   LYS  18          1HG       LYS  18  -0.994 -12.346   5.799
  157   1HD   LYS  18          2HD       LYS  18  -0.132  -9.910   5.601
  158   2HD   LYS  18          1HD       LYS  18  -0.580  -9.789   7.304
  159   1HE   LYS  18          2HE       LYS  18   0.781 -12.018   7.498
  160   2HE   LYS  18          1HE       LYS  18   1.527 -11.452   6.003
  161   1HZ   LYS  18          1HZ       LYS  18   2.467 -10.803   8.360
  162   2HZ   LYS  18          2HZ       LYS  18   1.328  -9.553   8.222
  163   3HZ   LYS  18          3HZ       LYS  18   2.540  -9.729   7.048
  164    H    SER  19           H        SER  19  -4.112  -9.776   2.739
  165    HA   SER  19           HA       SER  19  -4.303 -12.239   1.158
  166   1HB   SER  19          2HB       SER  19  -6.770 -10.949   2.298
  167   2HB   SER  19          1HB       SER  19  -6.576 -12.580   1.650
  168    HG   SER  19           HG       SER  19  -5.321 -13.095   3.468
  169    H    ARG  20           H        ARG  20  -5.422 -12.046  -0.819
  170    HA   ARG  20           HA       ARG  20  -5.071  -9.595  -2.197
  171   1HB   ARG  20          2HB       ARG  20  -5.517 -12.205  -2.930
  172   2HB   ARG  20          1HB       ARG  20  -7.053 -11.447  -3.325
  173   1HG   ARG  20          2HG       ARG  20  -6.109 -10.051  -4.909
  174   2HG   ARG  20          1HG       ARG  20  -4.485 -10.211  -4.232
  175   1HD   ARG  20          2HD       ARG  20  -4.831 -12.739  -4.879
  176   2HD   ARG  20          1HD       ARG  20  -6.004 -12.060  -6.010
  177    HE   ARG  20           HE       ARG  20  -3.114 -11.444  -5.964
  178   1HH1  ARG  20          2HH1      ARG  20  -6.189 -11.636  -7.652
  179   2HH1  ARG  20          1HH1      ARG  20  -5.512 -11.169  -9.187
  180   1HH2  ARG  20          2HH2      ARG  20  -2.230 -10.838  -7.971
  181   2HH2  ARG  20          1HH2      ARG  20  -3.254 -10.728  -9.371
  182    H    THR  21           H        THR  21  -7.873 -11.200  -0.780
  183    HA   THR  21           HA       THR  21  -9.874  -9.410  -1.580
  184    HB   THR  21           HB       THR  21 -10.717 -10.310   0.869
  185    HG1  THR  21           1HG      THR  21  -9.741 -12.218   1.316
  186   1HG2  THR  21          1HG2      THR  21 -10.770 -11.626  -1.840
  187   2HG2  THR  21          2HG2      THR  21 -12.018 -10.628  -1.095
  188   3HG2  THR  21          3HG2      THR  21 -11.681 -12.239  -0.461
  189    H    ILE  22           H        ILE  22  -7.651  -9.378   1.164
  190    HA   ILE  22           HA       ILE  22  -8.788  -7.177   2.535
  191    HB   ILE  22           HB       ILE  22  -6.004  -8.346   2.545
  192   1HG1  ILE  22          2HG1      ILE  22  -8.174  -8.342   4.654
  193   1HG2  ILE  22          1HG2      ILE  22  -5.232  -6.521   3.532
  194   2HG2  ILE  22          2HG2      ILE  22  -6.821  -5.766   3.437
  195   3HG2  ILE  22          3HG2      ILE  22  -6.395  -6.752   4.836
  196   1HD1  ILE  22          1HD1      ILE  22  -5.511  -8.777   5.037
  197   2HD1  ILE  22          2HD1      ILE  22  -6.813  -9.418   6.041
  198   3HD1  ILE  22          3HD1      ILE  22  -6.126 -10.405   4.751
  199    H    LEU  23           H        LEU  23  -6.078  -7.467   0.241
  200    HA   LEU  23           HA       LEU  23  -5.454  -4.738   0.099
  201   1HB   LEU  23          2HB       LEU  23  -4.004  -6.531  -0.755
  202   2HB   LEU  23          1HB       LEU  23  -5.150  -6.842  -2.045
  203    HG   LEU  23           HG       LEU  23  -4.745  -4.515  -2.884
  204   1HD1  LEU  23          1HD1      LEU  23  -2.204  -4.192  -1.538
  205   2HD1  LEU  23          2HD1      LEU  23  -3.517  -3.038  -1.766
  206   3HD1  LEU  23          3HD1      LEU  23  -3.556  -4.159  -0.407
  207   1HD2  LEU  23          1HD2      LEU  23  -2.918  -5.129  -4.132
  208   2HD2  LEU  23          2HD2      LEU  23  -2.101  -5.891  -2.765
  209   3HD2  LEU  23          3HD2      LEU  23  -3.464  -6.700  -3.543
  210    H    GLN  24           H        GLN  24  -7.833  -6.670  -1.632
  211    HA   GLN  24           HA       GLN  24  -8.537  -4.831  -3.614
  212   1HB   GLN  24          2HB       GLN  24  -9.477  -7.332  -2.665
  213   2HB   GLN  24          1HB       GLN  24 -10.864  -6.254  -2.743
  214   1HG   GLN  24          2HG       GLN  24  -9.102  -6.179  -5.086
  215   2HG   GLN  24          1HG       GLN  24  -9.929  -7.710  -4.815
  216   1HE2  GLN  24          1HE2      GLN  24 -12.132  -7.823  -5.021
  217   2HE2  GLN  24          2HE2      GLN  24 -13.076  -6.546  -5.719
  218    H    GLN  25           H        GLN  25  -9.778  -5.241  -0.324
  219    HA   GLN  25           HA       GLN  25 -11.657  -3.078  -0.576
  220   1HB   GLN  25          2HB       GLN  25 -10.693  -4.719   1.768
  221   2HB   GLN  25          1HB       GLN  25 -11.848  -3.405   1.942
  222   1HG   GLN  25          2HG       GLN  25 -13.519  -4.550   0.860
  223   2HG   GLN  25          1HG       GLN  25 -12.389  -5.585  -0.015
  224   1HE2  GLN  25          1HE2      GLN  25 -11.253  -7.207   1.223
  225   2HE2  GLN  25          2HE2      GLN  25 -12.031  -7.927   2.593
  226    H    HIS  26           H        HIS  26  -8.528  -3.592   0.983
  227    HA   HIS  26           HA       HIS  26  -8.293  -1.148   2.283
  228   1HB   HIS  26          2HB       HIS  26  -6.731  -2.794   2.901
  229   2HB   HIS  26          1HB       HIS  26  -6.277  -3.123   1.236
  230    HD1  HIS  26           1HD      HIS  26  -5.461  -0.875   4.128
  231    HD2  HIS  26           2HD      HIS  26  -4.415  -1.356   0.115
  232    HE1  HIS  26           1HE      HIS  26  -3.403   0.572   3.729
  233    H    MET  27           H        MET  27  -7.516  -2.029  -1.048
  234    HA   MET  27           HA       MET  27  -6.059   0.234  -1.758
  235   1HB   MET  27          2HB       MET  27  -7.595  -1.821  -3.251
  236   2HB   MET  27          1HB       MET  27  -7.179  -0.347  -4.115
  237   1HG   MET  27          2HG       MET  27  -4.805  -0.717  -3.430
  238   2HG   MET  27          1HG       MET  27  -5.300  -2.290  -2.806
  239   1HE   MET  27          1HE       MET  27  -3.036  -2.644  -4.719
  240   2HE   MET  27          2HE       MET  27  -3.310  -2.360  -6.437
  241   3HE   MET  27          3HE       MET  27  -3.301  -1.003  -5.307
  242    H    LYS  28           H        LYS  28  -9.417  -0.033  -1.135
  243    HA   LYS  28           HA       LYS  28 -10.249   2.236  -2.684
  244   1HB   LYS  28          2HB       LYS  28 -11.468   0.408  -0.719
  245   2HB   LYS  28          1HB       LYS  28 -12.115   2.043  -0.709
  246   1HG   LYS  28          2HG       LYS  28 -13.487   0.861  -2.183
  247   2HG   LYS  28          1HG       LYS  28 -12.392   1.774  -3.223
  248   1HD   LYS  28          2HD       LYS  28 -10.970  -0.481  -2.954
  249   2HD   LYS  28          1HD       LYS  28 -12.594  -1.139  -2.772
  250   1HE   LYS  28          2HE       LYS  28 -13.142   0.217  -4.897
  251   2HE   LYS  28          1HE       LYS  28 -11.394   0.303  -5.109
  252   1HZ   LYS  28          1HZ       LYS  28 -11.249  -2.037  -5.251
  253   2HZ   LYS  28          2HZ       LYS  28 -12.516  -1.574  -6.276
  254   3HZ   LYS  28          3HZ       LYS  28 -12.859  -2.252  -4.756
  255    H    LYS  29           H        LYS  29  -9.072   1.666   0.562
  256    HA   LYS  29           HA       LYS  29  -9.418   4.451   1.330
  257   1HB   LYS  29          2HB       LYS  29  -8.004   2.274   2.871
  258   2HB   LYS  29          1HB       LYS  29  -8.618   3.798   3.496
  259   1HG   LYS  29          2HG       LYS  29 -10.540   2.827   3.993
  260   2HG   LYS  29          1HG       LYS  29 -10.781   2.413   2.294
  261   1HD   LYS  29          2HD       LYS  29 -10.719   0.290   3.031
  262   2HD   LYS  29          1HD       LYS  29  -8.972   0.530   3.058
  263   1HE   LYS  29          2HE       LYS  29  -9.342  -0.273   5.178
  264   2HE   LYS  29          1HE       LYS  29  -9.427   1.467   5.450
  265   1HZ   LYS  29          1HZ       LYS  29 -11.307  -0.320   6.205
  266   2HZ   LYS  29          2HZ       LYS  29 -11.952   0.275   4.755
  267   3HZ   LYS  29          3HZ       LYS  29 -11.568   1.345   6.010
  268    H    CYS  30           H        CYS  30  -6.987   2.239   0.250
  269    HA   CYS  30           HA       CYS  30  -4.660   3.696   0.802
  270   1HB   CYS  30          2HB       CYS  30  -4.951   1.278  -0.063
  271   2HB   CYS  30          1HB       CYS  30  -5.048   2.001  -1.663
  272    H    GLY  31           H        GLY  31  -6.760   3.659  -2.071
  273   1HA   GLY  31          1HA       GLY  31  -5.312   5.809  -3.344
  274   2HA   GLY  31          2HA       GLY  31  -6.810   5.074  -3.906
  275    H    TRP  32           H        TRP  32  -7.504   5.739  -0.834
  276    HA   TRP  32           HA       TRP  32  -8.922   8.170  -1.520
  277   1HB   TRP  32          2HB       TRP  32  -9.321   6.042   0.297
  278   2HB   TRP  32          1HB       TRP  32  -9.154   7.516   1.252
  279    HD1  TRP  32           HD       TRP  32 -11.070   6.490  -1.964
  280    HE1  TRP  32           1HE      TRP  32 -13.398   7.578  -1.873
  281    HE3  TRP  32           3HE      TRP  32 -10.618   8.989   2.476
  282    HZ2  TRP  32           2HZ      TRP  32 -14.823   9.280  -0.165
  283    HZ3  TRP  32           3HZ      TRP  32 -12.526  10.331   3.265
  284    HH2  TRP  32           HH       TRP  32 -14.588  10.471   1.968
  285    H    PHE  33           H        PHE  33  -6.298   7.166   0.607
  286    HA   PHE  33           HA       PHE  33  -5.683  10.008   1.061
  287   1HB   PHE  33          2HB       PHE  33  -5.493   7.709   3.019
  288   2HB   PHE  33          1HB       PHE  33  -4.747   9.284   3.293
  289    HD1  PHE  33           1HD      PHE  33  -7.633   7.323   3.772
  290    HD2  PHE  33           2HD      PHE  33  -6.350  11.330   3.144
  291    HE1  PHE  33           1HE      PHE  33  -9.743   8.143   4.733
  292    HE2  PHE  33           2HE      PHE  33  -8.456  12.159   4.105
  293    HZ   PHE  33           HZ       PHE  33 -10.155  10.565   4.904
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1   9.390 -15.645   8.407
    2   2H    GLY   1          2H        GLY   1   9.896 -17.128   9.046
    3   3H    GLY   1          3H        GLY   1   8.257 -16.692   9.112
    4   1HA   GLY   1          2HA       GLY   1   8.108 -18.009   7.307
    5   2HA   GLY   1          1HA       GLY   1   8.614 -16.527   6.501
    6    H    SER   2           H        SER   2   9.058 -19.456   5.926
    7    HA   SER   2           HA       SER   2  11.809 -20.012   6.365
    8   1HB   SER   2          2HB       SER   2  10.319 -21.235   4.078
    9   2HB   SER   2          1HB       SER   2  11.421 -21.990   5.228
   10    HG   SER   2           HG       SER   2   9.753 -21.670   6.831
   11    H    ARG   3           H        ARG   3  10.003 -18.507   3.740
   12    HA   ARG   3           HA       ARG   3  12.570 -17.605   2.622
   13   1HB   ARG   3          2HB       ARG   3  10.201 -18.688   1.090
   14   2HB   ARG   3          1HB       ARG   3  11.458 -17.721   0.333
   15   1HG   ARG   3          2HG       ARG   3  12.019 -20.278   1.810
   16   2HG   ARG   3          1HG       ARG   3  11.686 -20.205   0.080
   17   1HD   ARG   3          2HD       ARG   3  13.961 -20.098   0.029
   18   2HD   ARG   3          1HD       ARG   3  13.592 -18.377   0.148
   19    HE   ARG   3           HE       ARG   3  13.817 -19.184   2.744
   20   1HH1  ARG   3          2HH1      ARG   3  15.897 -19.419  -0.065
   21   2HH1  ARG   3          1HH1      ARG   3  17.365 -19.373   0.861
   22   1HH2  ARG   3          2HH2      ARG   3  15.743 -19.098   3.965
   23   2HH2  ARG   3          1HH2      ARG   3  17.278 -19.178   3.148
   24    H    LEU   4           H        LEU   4  11.850 -15.822   0.813
   25    HA   LEU   4           HA       LEU   4  10.641 -13.721   2.337
   26   1HB   LEU   4          2HB       LEU   4  12.394 -13.114   0.838
   27   2HB   LEU   4          1HB       LEU   4  11.610 -13.914  -0.511
   28    HG   LEU   4           HG       LEU   4   9.771 -11.989   0.354
   29   1HD1  LEU   4          1HD1      LEU   4  10.825 -10.056   0.849
   30   2HD1  LEU   4          2HD1      LEU   4  12.060 -11.152   1.466
   31   3HD1  LEU   4          3HD1      LEU   4  12.235 -10.441  -0.138
   32   1HD2  LEU   4          1HD2      LEU   4  11.725 -11.850  -1.941
   33   2HD2  LEU   4          2HD2      LEU   4  10.200 -12.736  -1.950
   34   3HD2  LEU   4          3HD2      LEU   4  10.197 -10.978  -1.806
   35    HA   PRO   5           HA       PRO   5   6.536 -14.845   1.056
   36   1HB   PRO   5          2HB       PRO   5   5.207 -12.937   2.433
   37   2HB   PRO   5          1HB       PRO   5   5.924 -14.347   3.219
   38   1HG   PRO   5          2HG       PRO   5   6.960 -11.549   3.035
   39   2HG   PRO   5          1HG       PRO   5   6.984 -12.665   4.413
   40   1HD   PRO   5          2HD       PRO   5   9.136 -12.205   2.789
   41   2HD   PRO   5          1HD       PRO   5   8.876 -13.719   3.675
   42    H    LYS   6           H        LYS   6   5.289 -14.299  -0.614
   43    HA   LYS   6           HA       LYS   6   5.746 -11.683  -1.881
   44   1HB   LYS   6          2HB       LYS   6   4.340 -14.049  -3.124
   45   2HB   LYS   6          1HB       LYS   6   5.002 -12.638  -3.937
   46   1HG   LYS   6          2HG       LYS   6   6.757 -13.932  -4.384
   47   2HG   LYS   6          1HG       LYS   6   7.203 -13.693  -2.694
   48   1HD   LYS   6          2HD       LYS   6   6.652 -15.797  -2.119
   49   2HD   LYS   6          1HD       LYS   6   5.238 -15.821  -3.171
   50   1HE   LYS   6          2HE       LYS   6   6.492 -16.442  -5.039
   51   2HE   LYS   6          1HE       LYS   6   8.008 -15.931  -4.299
   52   1HZ   LYS   6          1HZ       LYS   6   7.527 -17.780  -2.614
   53   2HZ   LYS   6          2HZ       LYS   6   8.064 -18.235  -4.161
   54   3HZ   LYS   6          3HZ       LYS   6   6.420 -18.362  -3.760
   55    H    LEU   7           H        LEU   7   4.364 -10.421  -0.676
   56    HA   LEU   7           HA       LEU   7   1.632 -11.306  -0.253
   57   1HB   LEU   7          2HB       LEU   7   3.265  -9.004   0.730
   58   2HB   LEU   7          1HB       LEU   7   1.525  -8.945   0.853
   59    HG   LEU   7           HG       LEU   7   2.022  -9.766   2.918
   60   1HD1  LEU   7          1HD1      LEU   7   1.247 -11.791   1.049
   61   2HD1  LEU   7          2HD1      LEU   7   2.255 -12.504   2.308
   62   3HD1  LEU   7          3HD1      LEU   7   0.801 -11.609   2.748
   63   1HD2  LEU   7          1HD2      LEU   7   4.265  -9.899   3.141
   64   2HD2  LEU   7          2HD2      LEU   7   3.937 -11.628   3.011
   65   3HD2  LEU   7          3HD2      LEU   7   4.484 -10.725   1.598
   66    H    TYR   8           H        TYR   8   0.287  -8.939  -0.232
   67    HA   TYR   8           HA       TYR   8   0.242  -8.187  -3.081
   68   1HB   TYR   8          2HB       TYR   8  -2.102  -7.968  -1.186
   69   2HB   TYR   8          1HB       TYR   8  -2.119  -7.959  -2.951
   70    HD1  TYR   8           1HD      TYR   8  -2.402  -9.965  -4.157
   71    HD2  TYR   8           2HD      TYR   8  -1.474 -10.134  -0.007
   72    HE1  TYR   8           1HE      TYR   8  -2.777 -12.395  -4.171
   73    HE2  TYR   8           2HE      TYR   8  -1.837 -12.556  -0.012
   74    HH   TYR   8           HH       TYR   8  -2.109 -14.382  -1.322
   75    H    LEU   9           H        LEU   9   1.740  -6.551  -2.755
   76    HA   LEU   9           HA       LEU   9   1.491  -4.666  -0.660
   77   1HB   LEU   9          2HB       LEU   9   3.646  -5.207  -1.565
   78   2HB   LEU   9          1HB       LEU   9   3.154  -4.699  -3.168
   79    HG   LEU   9           HG       LEU   9   2.849  -2.357  -2.092
   80   1HD1  LEU   9          1HD1      LEU   9   3.051  -2.902   0.213
   81   2HD1  LEU   9          2HD1      LEU   9   4.565  -3.763  -0.063
   82   3HD1  LEU   9          3HD1      LEU   9   4.505  -2.009  -0.241
   83   1HD2  LEU   9          1HD2      LEU   9   5.607  -2.425  -2.078
   84   2HD2  LEU   9          2HD2      LEU   9   5.157  -3.761  -3.136
   85   3HD2  LEU   9          3HD2      LEU   9   4.576  -2.132  -3.480
   86    H    CYS  10           H        CYS  10   0.433  -2.804  -0.561
   87    HA   CYS  10           HA       CYS  10  -1.078  -1.813  -2.804
   88   1HB   CYS  10          2HB       CYS  10  -2.195  -1.401  -0.782
   89   2HB   CYS  10          1HB       CYS  10  -0.714  -0.961   0.060
   90    H    GLU  11           H        GLU  11   0.035  -0.831  -4.342
   91    HA   GLU  11           HA       GLU  11   2.543   0.437  -3.786
   92   1HB   GLU  11          2HB       GLU  11   1.047  -0.392  -6.172
   93   2HB   GLU  11          1HB       GLU  11   1.988   1.081  -6.387
   94   1HG   GLU  11          2HG       GLU  11   3.976   0.015  -6.113
   95   2HG   GLU  11          1HG       GLU  11   3.294  -1.241  -5.084
   96    H    PHE  12           H        PHE  12  -0.154   1.535  -2.797
   97    HA   PHE  12           HA       PHE  12   0.072   4.225  -3.964
   98   1HB   PHE  12          2HB       PHE  12  -2.167   3.247  -2.196
   99   2HB   PHE  12          1HB       PHE  12  -2.160   4.643  -3.272
  100    HD1  PHE  12           1HD      PHE  12  -1.452   3.873  -5.814
  101    HD2  PHE  12           2HD      PHE  12  -3.479   1.518  -2.904
  102    HE1  PHE  12           1HE      PHE  12  -2.411   2.490  -7.609
  103    HE2  PHE  12           2HE      PHE  12  -4.432   0.124  -4.690
  104    HZ   PHE  12           HZ       PHE  12  -3.900   0.611  -7.046
  105    H    CYS  13           H        CYS  13  -0.165   2.542  -0.824
  106    HA   CYS  13           HA       CYS  13   1.202   4.876   0.348
  107   1HB   CYS  13          2HB       CYS  13   0.291   4.328   2.521
  108   2HB   CYS  13          1HB       CYS  13  -1.026   4.489   1.369
  109    H    LEU  14           H        LEU  14   1.504   1.759  -0.663
  110    HA   LEU  14           HA       LEU  14   3.200   0.288  -0.687
  111   1HB   LEU  14          2HB       LEU  14   4.627   2.553   0.680
  112   2HB   LEU  14          1HB       LEU  14   5.421   1.031   0.318
  113    HG   LEU  14           HG       LEU  14   4.018   2.425  -1.905
  114   1HD1  LEU  14          1HD1      LEU  14   5.113   4.320  -1.210
  115   2HD1  LEU  14          2HD1      LEU  14   6.468   3.420  -0.530
  116   3HD1  LEU  14          3HD1      LEU  14   6.311   3.588  -2.278
  117   1HD2  LEU  14          1HD2      LEU  14   6.391   1.586  -2.853
  118   2HD2  LEU  14          2HD2      LEU  14   6.174   0.454  -1.519
  119   3HD2  LEU  14          3HD2      LEU  14   4.951   0.569  -2.783
  120    H    LYS  15           H        LYS  15   1.580  -0.758   0.755
  121    HA   LYS  15           HA       LYS  15   3.027  -1.704   3.111
  122   1HB   LYS  15          2HB       LYS  15   0.841  -0.068   3.398
  123   2HB   LYS  15          1HB       LYS  15   0.116  -1.667   3.480
  124   1HG   LYS  15          2HG       LYS  15   2.543  -1.285   5.100
  125   2HG   LYS  15          1HG       LYS  15   1.125  -0.364   5.607
  126   1HD   LYS  15          2HD       LYS  15  -0.161  -2.320   5.916
  127   2HD   LYS  15          1HD       LYS  15   0.994  -3.312   5.023
  128   1HE   LYS  15          2HE       LYS  15   1.509  -3.886   7.185
  129   2HE   LYS  15          1HE       LYS  15   2.642  -2.561   6.912
  130   1HZ   LYS  15          1HZ       LYS  15   0.113  -1.639   7.893
  131   2HZ   LYS  15          2HZ       LYS  15   1.678  -1.357   8.493
  132   3HZ   LYS  15          3HZ       LYS  15   0.836  -2.751   8.954
  133    H    TYR  16           H        TYR  16   3.229  -3.841   3.038
  134    HA   TYR  16           HA       TYR  16   2.026  -5.371   0.965
  135   1HB   TYR  16          2HB       TYR  16   3.871  -5.940   3.251
  136   2HB   TYR  16          1HB       TYR  16   3.095  -7.294   2.438
  137    HD1  TYR  16           1HD      TYR  16   3.370  -7.402  -0.144
  138    HD2  TYR  16           2HD      TYR  16   5.843  -5.051   2.397
  139    HE1  TYR  16           1HE      TYR  16   5.094  -7.337  -1.891
  140    HE2  TYR  16           2HE      TYR  16   7.576  -4.981   0.650
  141    HH   TYR  16           HH       TYR  16   7.538  -5.220  -2.010
  142    H    MET  17           H        MET  17   0.002  -6.152   0.977
  143    HA   MET  17           HA       MET  17  -1.361  -6.615   3.519
  144   1HB   MET  17          2HB       MET  17  -2.322  -6.669   0.656
  145   2HB   MET  17          1HB       MET  17  -3.346  -7.045   2.034
  146   1HG   MET  17          2HG       MET  17  -1.972  -4.430   1.481
  147   2HG   MET  17          1HG       MET  17  -3.691  -4.771   1.313
  148   1HE   MET  17          1HE       MET  17  -1.757  -2.837   4.639
  149   2HE   MET  17          2HE       MET  17  -1.367  -2.997   2.927
  150   3HE   MET  17          3HE       MET  17  -2.843  -2.170   3.421
  151    H    LYS  18           H        LYS  18  -2.058  -8.615   4.215
  152    HA   LYS  18           HA       LYS  18  -0.537 -10.829   3.139
  153   1HB   LYS  18          2HB       LYS  18  -2.433 -11.062   5.451
  154   2HB   LYS  18          1HB       LYS  18  -0.931 -11.927   5.159
  155   1HG   LYS  18          2HG       LYS  18  -0.994  -8.979   5.715
  156   2HG   LYS  18          1HG       LYS  18  -0.929 -10.185   7.003
  157   1HD   LYS  18          2HD       LYS  18   1.079 -11.118   5.592
  158   2HD   LYS  18          1HD       LYS  18   1.121  -9.471   4.958
  159   1HE   LYS  18          2HE       LYS  18   2.282  -8.879   6.758
  160   2HE   LYS  18          1HE       LYS  18   0.843  -9.201   7.726
  161   1HZ   LYS  18          1HZ       LYS  18   1.588 -11.521   7.935
  162   2HZ   LYS  18          2HZ       LYS  18   2.701 -10.423   8.597
  163   3HZ   LYS  18          3HZ       LYS  18   3.007 -11.137   7.090
  164    H    SER  19           H        SER  19  -3.462  -9.610   2.326
  165    HA   SER  19           HA       SER  19  -4.282 -12.140   1.187
  166   1HB   SER  19          2HB       SER  19  -5.987 -10.654   3.190
  167   2HB   SER  19          1HB       SER  19  -6.654 -11.822   2.049
  168    HG   SER  19           HG       SER  19  -4.441 -12.629   3.541
  169    H    ARG  20           H        ARG  20  -5.526 -11.940  -0.646
  170    HA   ARG  20           HA       ARG  20  -5.341  -9.503  -2.056
  171   1HB   ARG  20          2HB       ARG  20  -5.563 -11.987  -2.882
  172   2HB   ARG  20          1HB       ARG  20  -7.287 -11.631  -2.851
  173   1HG   ARG  20          2HG       ARG  20  -7.107  -9.995  -4.489
  174   2HG   ARG  20          1HG       ARG  20  -5.365  -9.832  -4.262
  175   1HD   ARG  20          2HD       ARG  20  -5.812 -12.513  -4.959
  176   2HD   ARG  20          1HD       ARG  20  -6.812 -11.550  -6.047
  177    HE   ARG  20           HE       ARG  20  -4.678 -10.248  -6.478
  178   1HH1  ARG  20          2HH1      ARG  20  -4.755 -13.671  -5.726
  179   2HH1  ARG  20          1HH1      ARG  20  -3.191 -13.992  -6.419
  180   1HH2  ARG  20          2HH2      ARG  20  -2.638 -10.662  -7.412
  181   2HH2  ARG  20          1HH2      ARG  20  -1.982 -12.277  -7.381
  182    H    THR  21           H        THR  21  -8.032 -11.091  -0.383
  183    HA   THR  21           HA       THR  21  -9.987  -9.196  -1.196
  184    HB   THR  21           HB       THR  21 -10.079 -11.635   0.045
  185    HG1  THR  21           1HG      THR  21 -11.710 -10.227  -1.186
  186   1HG2  THR  21          1HG2      THR  21  -9.633 -10.899   2.253
  187   2HG2  THR  21          2HG2      THR  21 -11.372 -11.191   2.168
  188   3HG2  THR  21          3HG2      THR  21 -10.750  -9.543   2.101
  189    H    ILE  22           H        ILE  22  -7.599  -9.238   1.311
  190    HA   ILE  22           HA       ILE  22  -8.735  -7.068   2.825
  191    HB   ILE  22           HB       ILE  22  -6.197  -8.633   2.929
  192   1HG1  ILE  22          2HG1      ILE  22  -7.835  -7.695   5.255
  193   1HG2  ILE  22          1HG2      ILE  22  -4.972  -6.796   3.325
  194   2HG2  ILE  22          2HG2      ILE  22  -6.393  -5.792   3.615
  195   3HG2  ILE  22          3HG2      ILE  22  -5.759  -6.815   4.904
  196   1HD1  ILE  22          1HD1      ILE  22  -6.398 -10.267   4.663
  197   2HD1  ILE  22          2HD1      ILE  22  -5.910  -9.016   5.808
  198   3HD1  ILE  22          3HD1      ILE  22  -7.374  -9.955   6.098
  199    H    LEU  23           H        LEU  23  -6.315  -7.505   0.297
  200    HA   LEU  23           HA       LEU  23  -5.462  -4.803   0.169
  201   1HB   LEU  23          2HB       LEU  23  -4.526  -7.060  -0.889
  202   2HB   LEU  23          1HB       LEU  23  -5.474  -6.529  -2.260
  203    HG   LEU  23           HG       LEU  23  -2.854  -5.706  -1.440
  204   1HD1  LEU  23          1HD1      LEU  23  -3.463  -6.343  -3.683
  205   2HD1  LEU  23          2HD1      LEU  23  -4.592  -4.992  -3.794
  206   3HD1  LEU  23          3HD1      LEU  23  -2.859  -4.687  -3.672
  207   1HD2  LEU  23          1HD2      LEU  23  -3.928  -3.860  -0.268
  208   2HD2  LEU  23          2HD2      LEU  23  -3.082  -3.283  -1.705
  209   3HD2  LEU  23          3HD2      LEU  23  -4.838  -3.449  -1.723
  210    H    GLN  24           H        GLN  24  -8.026  -6.646  -1.387
  211    HA   GLN  24           HA       GLN  24  -8.839  -4.725  -3.252
  212   1HB   GLN  24          2HB       GLN  24  -9.906  -7.200  -2.125
  213   2HB   GLN  24          1HB       GLN  24 -11.160  -6.052  -2.580
  214   1HG   GLN  24          2HG       GLN  24  -8.978  -7.111  -4.362
  215   2HG   GLN  24          1HG       GLN  24 -10.681  -7.569  -4.399
  216   1HE2  GLN  24          1HE2      GLN  24  -8.355  -5.561  -5.680
  217   2HE2  GLN  24          2HE2      GLN  24  -9.397  -4.418  -6.470
  218    H    GLN  25           H        GLN  25  -9.877  -5.248   0.105
  219    HA   GLN  25           HA       GLN  25 -11.784  -3.104   0.016
  220   1HB   GLN  25          2HB       GLN  25 -12.225  -3.572   2.285
  221   2HB   GLN  25          1HB       GLN  25 -11.861  -5.133   1.568
  222   1HG   GLN  25          2HG       GLN  25  -9.474  -4.743   2.404
  223   2HG   GLN  25          1HG       GLN  25 -10.180  -3.472   3.397
  224   1HE2  GLN  25          1HE2      GLN  25 -11.002  -6.820   2.521
  225   2HE2  GLN  25          2HE2      GLN  25 -11.309  -7.339   4.145
  226    H    HIS  26           H        HIS  26  -8.419  -3.433   0.704
  227    HA   HIS  26           HA       HIS  26  -8.068  -0.945   2.067
  228   1HB   HIS  26          2HB       HIS  26  -6.456  -2.762   2.343
  229   2HB   HIS  26          1HB       HIS  26  -6.098  -2.737   0.621
  230    HD1  HIS  26           1HD      HIS  26  -5.084  -1.222   3.825
  231    HD2  HIS  26           2HD      HIS  26  -4.704  -0.378  -0.245
  232    HE1  HIS  26           1HE      HIS  26  -3.336   0.613   3.618
  233    H    MET  27           H        MET  27  -7.778  -2.048  -1.278
  234    HA   MET  27           HA       MET  27  -6.605   0.262  -2.345
  235   1HB   MET  27          2HB       MET  27  -8.235  -1.963  -3.520
  236   2HB   MET  27          1HB       MET  27  -7.709  -0.612  -4.517
  237   1HG   MET  27          2HG       MET  27  -5.385  -1.095  -3.959
  238   2HG   MET  27          1HG       MET  27  -5.908  -2.436  -2.943
  239   1HE   MET  27          1HE       MET  27  -5.905  -2.288  -7.531
  240   2HE   MET  27          2HE       MET  27  -6.507  -0.979  -6.511
  241   3HE   MET  27          3HE       MET  27  -4.796  -1.399  -6.486
  242    H    LYS  28           H        LYS  28  -9.817  -0.328  -1.328
  243    HA   LYS  28           HA       LYS  28 -11.102   1.685  -2.899
  244   1HB   LYS  28          2HB       LYS  28 -11.834  -0.136  -0.716
  245   2HB   LYS  28          1HB       LYS  28 -12.634   1.427  -0.624
  246   1HG   LYS  28          2HG       LYS  28 -14.054  -0.039  -1.832
  247   2HG   LYS  28          1HG       LYS  28 -13.371   1.103  -2.990
  248   1HD   LYS  28          2HD       LYS  28 -11.565  -1.014  -2.935
  249   2HD   LYS  28          1HD       LYS  28 -13.156  -1.781  -2.890
  250   1HE   LYS  28          2HE       LYS  28 -12.948   0.428  -4.798
  251   2HE   LYS  28          1HE       LYS  28 -11.865  -0.920  -5.145
  252   1HZ   LYS  28          1HZ       LYS  28 -14.460  -1.857  -4.471
  253   2HZ   LYS  28          2HZ       LYS  28 -13.558  -2.117  -5.884
  254   3HZ   LYS  28          3HZ       LYS  28 -14.546  -0.745  -5.751
  255    H    LYS  29           H        LYS  29  -9.682   1.518   0.324
  256    HA   LYS  29           HA       LYS  29 -10.272   4.217   1.042
  257   1HB   LYS  29          2HB       LYS  29  -9.913   2.775   2.866
  258   2HB   LYS  29          1HB       LYS  29  -8.467   2.085   2.147
  259   1HG   LYS  29          2HG       LYS  29  -8.260   4.946   2.674
  260   2HG   LYS  29          1HG       LYS  29  -8.520   3.968   4.119
  261   1HD   LYS  29          2HD       LYS  29  -6.524   2.852   3.891
  262   2HD   LYS  29          1HD       LYS  29  -6.485   3.065   2.139
  263   1HE   LYS  29          2HE       LYS  29  -6.306   5.507   3.806
  264   2HE   LYS  29          1HE       LYS  29  -4.904   4.437   3.800
  265   1HZ   LYS  29          1HZ       LYS  29  -4.603   6.022   2.084
  266   2HZ   LYS  29          2HZ       LYS  29  -6.161   5.774   1.468
  267   3HZ   LYS  29          3HZ       LYS  29  -4.987   4.558   1.319
  268    H    CYS  30           H        CYS  30  -7.509   2.538  -0.318
  269    HA   CYS  30           HA       CYS  30  -5.953   4.964  -0.444
  270   1HB   CYS  30          2HB       CYS  30  -5.487   2.139  -0.403
  271   2HB   CYS  30          1HB       CYS  30  -4.695   2.838  -1.802
  272    H    GLY  31           H        GLY  31  -8.417   4.688  -2.083
  273   1HA   GLY  31          1HA       GLY  31  -7.440   5.835  -4.474
  274   2HA   GLY  31          2HA       GLY  31  -7.872   4.154  -4.765
  275    H    TRP  32           H        TRP  32  -9.288   6.822  -2.887
  276    HA   TRP  32           HA       TRP  32 -11.948   6.018  -3.478
  277   1HB   TRP  32          2HB       TRP  32 -10.694   8.400  -2.164
  278   2HB   TRP  32          1HB       TRP  32 -12.398   8.452  -2.599
  279    HD1  TRP  32           HD       TRP  32 -10.467   7.864   0.313
  280    HE1  TRP  32           1HE      TRP  32 -11.634   6.285   1.987
  281    HE3  TRP  32           3HE      TRP  32 -13.985   5.850  -2.800
  282    HZ2  TRP  32           2HZ      TRP  32 -13.755   4.423   1.970
  283    HZ3  TRP  32           3HZ      TRP  32 -15.543   4.178  -1.895
  284    HH2  TRP  32           HH       TRP  32 -15.431   3.480   0.441
  285    H    PHE  33           H        PHE  33  -9.682   8.246  -4.913
  286    HA   PHE  33           HA       PHE  33 -11.605   8.685  -7.085
  287   1HB   PHE  33          2HB       PHE  33 -11.095  10.715  -5.480
  288   2HB   PHE  33          1HB       PHE  33  -9.608  10.815  -6.425
  289    HD1  PHE  33           1HD      PHE  33  -9.593  11.769  -8.567
  290    HD2  PHE  33           2HD      PHE  33 -13.297  10.876  -6.667
  291    HE1  PHE  33           1HE      PHE  33 -10.791  13.006 -10.324
  292    HE2  PHE  33           2HE      PHE  33 -14.499  12.113  -8.420
  293    HZ   PHE  33           HZ       PHE  33 -13.246  13.180 -10.251
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  11.421 -15.214  -6.731
    2   2H    GLY   1          2H        GLY   1  12.962 -14.843  -6.131
    3   3H    GLY   1          3H        GLY   1  12.166 -13.747  -7.149
    4   1HA   GLY   1          2HA       GLY   1  10.868 -12.926  -5.529
    5   2HA   GLY   1          1HA       GLY   1  10.743 -14.491  -4.736
    6    H    SER   2           H        SER   2  11.160 -12.119  -3.343
    7    HA   SER   2           HA       SER   2  14.003 -12.081  -2.661
    8   1HB   SER   2          2HB       SER   2  12.336 -10.304  -1.090
    9   2HB   SER   2          1HB       SER   2  13.645  -9.906  -2.206
   10    HG   SER   2           HG       SER   2  12.020 -10.265  -3.913
   11    H    ARG   3           H        ARG   3  14.002 -11.431  -0.010
   12    HA   ARG   3           HA       ARG   3  13.559 -13.925   1.285
   13   1HB   ARG   3          2HB       ARG   3  15.096 -11.768   1.848
   14   2HB   ARG   3          1HB       ARG   3  13.756 -11.478   2.948
   15   1HG   ARG   3          2HG       ARG   3  14.734 -14.223   3.001
   16   2HG   ARG   3          1HG       ARG   3  15.944 -13.026   3.467
   17   1HD   ARG   3          2HD       ARG   3  15.011 -13.168   5.502
   18   2HD   ARG   3          1HD       ARG   3  13.744 -12.149   4.818
   19    HE   ARG   3           HE       ARG   3  13.089 -14.791   4.224
   20   1HH1  ARG   3          2HH1      ARG   3  13.464 -12.772   7.076
   21   2HH1  ARG   3          1HH1      ARG   3  12.307 -13.667   8.011
   22   1HH2  ARG   3          2HH2      ARG   3  11.536 -15.937   5.457
   23   2HH2  ARG   3          1HH2      ARG   3  11.216 -15.462   7.100
   24    H    LEU   4           H        LEU   4  11.780 -10.937   1.037
   25    HA   LEU   4           HA       LEU   4   9.660 -11.848   2.801
   26   1HB   LEU   4          2HB       LEU   4  10.558  -9.365   2.182
   27   2HB   LEU   4          1HB       LEU   4   9.239  -9.507   1.037
   28    HG   LEU   4           HG       LEU   4   8.329 -10.344   3.626
   29   1HD1  LEU   4          1HD1      LEU   4  10.283  -8.284   3.740
   30   2HD1  LEU   4          2HD1      LEU   4   8.704  -7.575   4.077
   31   3HD1  LEU   4          3HD1      LEU   4   9.284  -8.934   5.040
   32   1HD2  LEU   4          1HD2      LEU   4   7.672  -8.125   1.705
   33   2HD2  LEU   4          2HD2      LEU   4   6.790  -9.623   1.991
   34   3HD2  LEU   4          3HD2      LEU   4   6.802  -8.358   3.219
   35    HA   PRO   5           HA       PRO   5   7.538 -13.973  -0.464
   36   1HB   PRO   5          2HB       PRO   5   5.079 -13.491   1.096
   37   2HB   PRO   5          1HB       PRO   5   5.836 -15.020   0.642
   38   1HG   PRO   5          2HG       PRO   5   5.883 -14.126   3.170
   39   2HG   PRO   5          1HG       PRO   5   7.250 -15.016   2.470
   40   1HD   PRO   5          2HD       PRO   5   6.930 -12.068   2.912
   41   2HD   PRO   5          1HD       PRO   5   8.357 -13.096   3.163
   42    H    LYS   6           H        LYS   6   6.037 -13.567  -2.139
   43    HA   LYS   6           HA       LYS   6   5.662 -10.764  -2.686
   44   1HB   LYS   6          2HB       LYS   6   5.864 -13.136  -4.232
   45   2HB   LYS   6          1HB       LYS   6   4.300 -12.413  -4.584
   46   1HG   LYS   6          2HG       LYS   6   6.854 -10.840  -4.657
   47   2HG   LYS   6          1HG       LYS   6   6.237 -11.720  -6.056
   48   1HD   LYS   6          2HD       LYS   6   4.857 -10.042  -6.527
   49   2HD   LYS   6          1HD       LYS   6   4.119 -10.174  -4.930
   50   1HE   LYS   6          2HE       LYS   6   5.164  -8.349  -4.191
   51   2HE   LYS   6          1HE       LYS   6   6.715  -8.888  -4.831
   52   1HZ   LYS   6          1HZ       LYS   6   6.453  -7.144  -6.192
   53   2HZ   LYS   6          2HZ       LYS   6   4.774  -7.070  -5.976
   54   3HZ   LYS   6          3HZ       LYS   6   5.436  -8.181  -7.073
   55    H    LEU   7           H        LEU   7   4.204 -10.140  -1.083
   56    HA   LEU   7           HA       LEU   7   1.590 -11.381  -0.931
   57   1HB   LEU   7          2HB       LEU   7   2.999  -9.186   0.511
   58   2HB   LEU   7          1HB       LEU   7   1.253  -9.193   0.538
   59    HG   LEU   7           HG       LEU   7   1.805 -10.280   2.498
   60   1HD1  LEU   7          1HD1      LEU   7   1.807 -12.847   1.111
   61   2HD1  LEU   7          2HD1      LEU   7   0.640 -12.169   2.244
   62   3HD1  LEU   7          3HD1      LEU   7   0.563 -11.739   0.535
   63   1HD2  LEU   7          1HD2      LEU   7   4.181 -10.438   2.182
   64   2HD2  LEU   7          2HD2      LEU   7   3.558 -12.015   2.663
   65   3HD2  LEU   7          3HD2      LEU   7   3.980 -11.710   0.978
   66    H    TYR   8           H        TYR   8   0.195  -8.884  -0.440
   67    HA   TYR   8           HA       TYR   8  -0.134  -7.988  -3.224
   68   1HB   TYR   8          2HB       TYR   8  -2.150  -7.759  -0.977
   69   2HB   TYR   8          1HB       TYR   8  -2.433  -7.535  -2.708
   70    HD1  TYR   8           1HD      TYR   8  -1.797 -10.016  -0.062
   71    HD2  TYR   8           2HD      TYR   8  -2.751  -9.404  -4.158
   72    HE1  TYR   8           1HE      TYR   8  -2.325 -12.399  -0.285
   73    HE2  TYR   8           2HE      TYR   8  -3.302 -11.783  -4.390
   74    HH   TYR   8           HH       TYR   8  -2.980 -13.850  -3.400
   75    H    LEU   9           H        LEU   9   0.700  -6.072  -3.622
   76    HA   LEU   9           HA       LEU   9   1.393  -4.356  -1.384
   77   1HB   LEU   9          2HB       LEU   9   2.932  -5.134  -3.292
   78   2HB   LEU   9          1HB       LEU   9   2.125  -3.918  -4.263
   79    HG   LEU   9           HG       LEU   9   2.923  -2.155  -2.803
   80   1HD1  LEU   9          1HD1      LEU   9   3.328  -4.341  -0.982
   81   2HD1  LEU   9          2HD1      LEU   9   4.813  -3.409  -1.175
   82   3HD1  LEU   9          3HD1      LEU   9   3.326  -2.606  -0.670
   83   1HD2  LEU   9          1HD2      LEU   9   5.325  -3.875  -3.234
   84   2HD2  LEU   9          2HD2      LEU   9   4.387  -3.309  -4.617
   85   3HD2  LEU   9          3HD2      LEU   9   5.119  -2.144  -3.512
   86    H    CYS  10           H        CYS  10   0.647  -2.357  -1.009
   87    HA   CYS  10           HA       CYS  10  -1.425  -1.253  -2.712
   88   1HB   CYS  10          2HB       CYS  10  -1.976  -0.994  -0.395
   89   2HB   CYS  10          1HB       CYS  10  -0.351  -0.451   0.003
   90    H    GLU  11           H        GLU  11  -1.099   0.698  -3.703
   91    HA   GLU  11           HA       GLU  11   1.681   1.244  -4.378
   92   1HB   GLU  11          2HB       GLU  11  -0.917   2.030  -5.691
   93   2HB   GLU  11          1HB       GLU  11   0.653   2.598  -6.240
   94   1HG   GLU  11          2HG       GLU  11   1.287   0.130  -6.411
   95   2HG   GLU  11          1HG       GLU  11  -0.442  -0.189  -6.270
   96    H    PHE  12           H        PHE  12  -0.635   2.434  -2.316
   97    HA   PHE  12           HA       PHE  12   0.446   5.170  -2.437
   98   1HB   PHE  12          2HB       PHE  12  -1.997   4.369  -0.876
   99   2HB   PHE  12          1HB       PHE  12  -1.551   5.961  -1.481
  100    HD1  PHE  12           1HD      PHE  12  -1.663   6.386  -3.963
  101    HD2  PHE  12           2HD      PHE  12  -3.332   2.919  -2.148
  102    HE1  PHE  12           1HE      PHE  12  -3.056   6.015  -5.956
  103    HE2  PHE  12           2HE      PHE  12  -4.731   2.545  -4.136
  104    HZ   PHE  12           HZ       PHE  12  -4.595   4.096  -6.043
  105    H    CYS  13           H        CYS  13   0.102   2.335  -0.468
  106    HA   CYS  13           HA       CYS  13   1.431   3.687   1.783
  107   1HB   CYS  13          2HB       CYS  13   0.156   0.946   1.644
  108   2HB   CYS  13          1HB       CYS  13   0.881   1.665   3.078
  109    H    LEU  14           H        LEU  14   1.683   1.160  -0.588
  110    HA   LEU  14           HA       LEU  14   3.341  -0.170  -1.303
  111   1HB   LEU  14          2HB       LEU  14   4.918   2.018  -0.024
  112   2HB   LEU  14          1HB       LEU  14   5.746   0.536  -0.470
  113    HG   LEU  14           HG       LEU  14   4.041   1.895  -2.510
  114   1HD1  LEU  14          1HD1      LEU  14   5.618   3.556  -1.329
  115   2HD1  LEU  14          2HD1      LEU  14   6.905   2.679  -2.156
  116   3HD1  LEU  14          3HD1      LEU  14   5.638   3.471  -3.090
  117   1HD2  LEU  14          1HD2      LEU  14   4.971  -0.268  -3.042
  118   2HD2  LEU  14          2HD2      LEU  14   5.767   0.972  -4.011
  119   3HD2  LEU  14          3HD2      LEU  14   6.588   0.286  -2.609
  120    H    LYS  15           H        LYS  15   1.868  -0.702   1.005
  121    HA   LYS  15           HA       LYS  15   3.762  -2.228   2.658
  122   1HB   LYS  15          2HB       LYS  15   1.722  -0.516   3.437
  123   2HB   LYS  15          1HB       LYS  15   1.000  -2.110   3.605
  124   1HG   LYS  15          2HG       LYS  15   3.546  -2.321   4.738
  125   2HG   LYS  15          1HG       LYS  15   2.894  -0.779   5.297
  126   1HD   LYS  15          2HD       LYS  15   0.942  -2.941   5.379
  127   2HD   LYS  15          1HD       LYS  15   2.357  -3.246   6.388
  128   1HE   LYS  15          2HE       LYS  15   1.438  -1.942   7.932
  129   2HE   LYS  15          1HE       LYS  15   1.714  -0.580   6.849
  130   1HZ   LYS  15          1HZ       LYS  15  -0.725  -2.266   6.748
  131   2HZ   LYS  15          2HZ       LYS  15  -0.462  -0.778   5.973
  132   3HZ   LYS  15          3HZ       LYS  15  -0.614  -0.841   7.659
  133    H    TYR  16           H        TYR  16   3.419  -4.450   2.920
  134    HA   TYR  16           HA       TYR  16   1.883  -5.631   0.766
  135   1HB   TYR  16          2HB       TYR  16   3.985  -6.609   2.658
  136   2HB   TYR  16          1HB       TYR  16   2.979  -7.773   1.802
  137    HD1  TYR  16           1HD      TYR  16   2.836  -7.427  -0.797
  138    HD2  TYR  16           2HD      TYR  16   5.931  -5.849   1.658
  139    HE1  TYR  16           1HE      TYR  16   4.284  -7.212  -2.771
  140    HE2  TYR  16           2HE      TYR  16   7.390  -5.637  -0.311
  141    HH   TYR  16           HH       TYR  16   7.260  -5.471  -2.682
  142    H    MET  17           H        MET  17  -0.111  -6.239   1.014
  143    HA   MET  17           HA       MET  17  -1.292  -6.581   3.631
  144   1HB   MET  17          2HB       MET  17  -2.414  -6.795   0.832
  145   2HB   MET  17          1HB       MET  17  -3.380  -6.984   2.281
  146   1HG   MET  17          2HG       MET  17  -1.992  -4.525   1.277
  147   2HG   MET  17          1HG       MET  17  -3.715  -4.781   1.540
  148   1HE   MET  17          1HE       MET  17  -1.103  -2.913   2.335
  149   2HE   MET  17          2HE       MET  17  -2.424  -2.000   3.062
  150   3HE   MET  17          3HE       MET  17  -1.071  -2.537   4.057
  151    H    LYS  18           H        LYS  18  -1.888  -8.475   4.552
  152    HA   LYS  18           HA       LYS  18  -0.521 -10.799   3.614
  153   1HB   LYS  18          2HB       LYS  18  -2.459 -10.676   5.924
  154   2HB   LYS  18          1HB       LYS  18  -1.142 -11.815   5.684
  155   1HG   LYS  18          2HG       LYS  18  -0.719  -8.865   6.069
  156   2HG   LYS  18          1HG       LYS  18  -0.730 -10.032   7.392
  157   1HD   LYS  18          2HD       LYS  18   1.376 -10.615   6.967
  158   2HD   LYS  18          1HD       LYS  18   0.992 -10.942   5.276
  159   1HE   LYS  18          2HE       LYS  18   2.762  -9.206   5.646
  160   2HE   LYS  18          1HE       LYS  18   1.399  -8.683   4.662
  161   1HZ   LYS  18          1HZ       LYS  18   1.555  -8.146   7.570
  162   2HZ   LYS  18          2HZ       LYS  18   0.528  -7.426   6.427
  163   3HZ   LYS  18          3HZ       LYS  18   2.191  -7.080   6.414
  164    H    SER  19           H        SER  19  -3.655  -9.621   3.067
  165    HA   SER  19           HA       SER  19  -4.445 -12.244   2.020
  166   1HB   SER  19          2HB       SER  19  -6.495 -10.463   3.303
  167   2HB   SER  19          1HB       SER  19  -6.556 -12.205   3.012
  168    HG   SER  19           HG       SER  19  -4.669 -12.192   4.574
  169    H    ARG  20           H        ARG  20  -5.909 -12.207   0.282
  170    HA   ARG  20           HA       ARG  20  -5.516 -10.105  -1.576
  171   1HB   ARG  20          2HB       ARG  20  -6.228 -12.693  -1.791
  172   2HB   ARG  20          1HB       ARG  20  -7.814 -11.947  -1.924
  173   1HG   ARG  20          2HG       ARG  20  -7.347 -10.979  -3.928
  174   2HG   ARG  20          1HG       ARG  20  -5.619 -10.861  -3.592
  175   1HD   ARG  20          2HD       ARG  20  -5.365 -13.250  -3.919
  176   2HD   ARG  20          1HD       ARG  20  -7.101 -13.422  -4.172
  177    HE   ARG  20           HE       ARG  20  -5.416 -11.811  -5.984
  178   1HH1  ARG  20          2HH1      ARG  20  -7.866 -14.236  -5.416
  179   2HH1  ARG  20          1HH1      ARG  20  -8.154 -14.539  -7.102
  180   1HH2  ARG  20          2HH2      ARG  20  -5.770 -12.202  -8.217
  181   2HH2  ARG  20          1HH2      ARG  20  -6.927 -13.415  -8.695
  182    H    THR  21           H        THR  21  -8.255 -11.126   0.406
  183    HA   THR  21           HA       THR  21 -10.161  -9.286  -0.460
  184    HB   THR  21           HB       THR  21 -10.733  -9.656   2.204
  185    HG1  THR  21           1HG      THR  21  -9.837 -11.518   2.864
  186   1HG2  THR  21          1HG2      THR  21 -11.270 -11.591  -0.051
  187   2HG2  THR  21          2HG2      THR  21 -12.199 -10.128   0.273
  188   3HG2  THR  21          3HG2      THR  21 -12.196 -11.449   1.443
  189    H    ILE  22           H        ILE  22  -7.661  -9.028   2.020
  190    HA   ILE  22           HA       ILE  22  -8.460  -6.595   3.151
  191    HB   ILE  22           HB       ILE  22  -5.759  -7.920   2.953
  192   1HG1  ILE  22          2HG1      ILE  22  -7.679  -7.555   5.263
  193   1HG2  ILE  22          1HG2      ILE  22  -5.893  -5.991   5.055
  194   2HG2  ILE  22          2HG2      ILE  22  -4.742  -6.115   3.725
  195   3HG2  ILE  22          3HG2      ILE  22  -6.242  -5.214   3.511
  196   1HD1  ILE  22          1HD1      ILE  22  -5.392  -7.719   6.053
  197   2HD1  ILE  22          2HD1      ILE  22  -6.306  -9.177   6.441
  198   3HD1  ILE  22          3HD1      ILE  22  -5.160  -9.188   5.102
  199    H    LEU  23           H        LEU  23  -5.958  -7.240   0.680
  200    HA   LEU  23           HA       LEU  23  -5.379  -4.531   0.181
  201   1HB   LEU  23          2HB       LEU  23  -4.171  -6.788  -0.488
  202   2HB   LEU  23          1HB       LEU  23  -5.073  -6.571  -1.971
  203    HG   LEU  23           HG       LEU  23  -2.574  -5.486  -1.330
  204   1HD1  LEU  23          1HD1      LEU  23  -4.543  -5.017  -3.538
  205   2HD1  LEU  23          2HD1      LEU  23  -2.933  -4.300  -3.536
  206   3HD1  LEU  23          3HD1      LEU  23  -3.116  -6.054  -3.530
  207   1HD2  LEU  23          1HD2      LEU  23  -3.246  -3.004  -1.829
  208   2HD2  LEU  23          2HD2      LEU  23  -4.750  -3.469  -1.032
  209   3HD2  LEU  23          3HD2      LEU  23  -3.216  -3.611  -0.173
  210    H    GLN  24           H        GLN  24  -7.762  -6.719  -1.196
  211    HA   GLN  24           HA       GLN  24  -8.489  -5.219  -3.442
  212   1HB   GLN  24          2HB       GLN  24  -9.619  -7.433  -1.913
  213   2HB   GLN  24          1HB       GLN  24 -10.840  -6.412  -2.659
  214   1HG   GLN  24          2HG       GLN  24  -8.610  -7.902  -4.011
  215   2HG   GLN  24          1HG       GLN  24 -10.347  -8.164  -4.178
  216   1HE2  GLN  24          1HE2      GLN  24 -11.583  -6.328  -5.072
  217   2HE2  GLN  24          2HE2      GLN  24 -10.845  -5.390  -6.336
  218    H    GLN  25           H        GLN  25  -9.892  -5.182  -0.160
  219    HA   GLN  25           HA       GLN  25 -11.585  -2.949  -0.857
  220   1HB   GLN  25          2HB       GLN  25 -12.325  -2.998   1.459
  221   2HB   GLN  25          1HB       GLN  25 -12.349  -4.616   0.775
  222   1HG   GLN  25          2HG       GLN  25 -10.015  -4.848   1.871
  223   2HG   GLN  25          1HG       GLN  25 -10.523  -3.461   2.838
  224   1HE2  GLN  25          1HE2      GLN  25 -11.333  -6.746   1.928
  225   2HE2  GLN  25          2HE2      GLN  25 -12.266  -7.112   3.342
  226    H    HIS  26           H        HIS  26  -8.436  -3.426   0.468
  227    HA   HIS  26           HA       HIS  26  -8.120  -0.961   1.788
  228   1HB   HIS  26          2HB       HIS  26  -6.534  -2.785   2.149
  229   2HB   HIS  26          1HB       HIS  26  -6.030  -2.710   0.462
  230    HD1  HIS  26           1HD      HIS  26  -5.290  -1.274   3.779
  231    HD2  HIS  26           2HD      HIS  26  -4.667  -0.240  -0.218
  232    HE1  HIS  26           1HE      HIS  26  -3.687   0.701   3.767
  233    H    MET  27           H        MET  27  -7.132  -1.956  -1.496
  234    HA   MET  27           HA       MET  27  -6.146   0.608  -2.174
  235   1HB   MET  27          2HB       MET  27  -6.633  -1.936  -3.620
  236   2HB   MET  27          1HB       MET  27  -6.490  -0.478  -4.596
  237   1HG   MET  27          2HG       MET  27  -4.341  -0.053  -3.245
  238   2HG   MET  27          1HG       MET  27  -4.460  -1.757  -2.812
  239   1HE   MET  27          1HE       MET  27  -4.217   0.701  -6.072
  240   2HE   MET  27          2HE       MET  27  -2.928   0.671  -4.868
  241   3HE   MET  27          3HE       MET  27  -2.650  -0.003  -6.474
  242    H    LYS  28           H        LYS  28  -9.280  -0.557  -1.944
  243    HA   LYS  28           HA       LYS  28 -10.452   1.177  -3.935
  244   1HB   LYS  28          2HB       LYS  28 -11.386  -0.908  -2.111
  245   2HB   LYS  28          1HB       LYS  28 -12.481   0.466  -2.187
  246   1HG   LYS  28          2HG       LYS  28 -13.133  -1.204  -3.797
  247   2HG   LYS  28          1HG       LYS  28 -12.565   0.243  -4.633
  248   1HD   LYS  28          2HD       LYS  28 -10.259  -1.175  -4.424
  249   2HD   LYS  28          1HD       LYS  28 -11.442  -2.477  -4.576
  250   1HE   LYS  28          2HE       LYS  28 -12.046  -1.872  -6.697
  251   2HE   LYS  28          1HE       LYS  28 -11.667  -0.170  -6.435
  252   1HZ   LYS  28          1HZ       LYS  28 -10.157  -1.495  -7.967
  253   2HZ   LYS  28          2HZ       LYS  28  -9.540  -2.221  -6.565
  254   3HZ   LYS  28          3HZ       LYS  28  -9.409  -0.544  -6.781
  255    H    LYS  29           H        LYS  29  -9.845   1.176  -0.479
  256    HA   LYS  29           HA       LYS  29 -11.183   3.712  -0.079
  257   1HB   LYS  29          2HB       LYS  29 -10.727   1.652   1.591
  258   2HB   LYS  29          1HB       LYS  29  -9.340   2.660   1.981
  259   1HG   LYS  29          2HG       LYS  29 -11.939   4.043   1.883
  260   2HG   LYS  29          1HG       LYS  29 -11.733   2.867   3.185
  261   1HD   LYS  29          2HD       LYS  29  -9.372   4.486   2.923
  262   2HD   LYS  29          1HD       LYS  29 -10.800   5.513   3.090
  263   1HE   LYS  29          2HE       LYS  29 -10.061   3.242   4.932
  264   2HE   LYS  29          1HE       LYS  29  -9.781   4.952   5.261
  265   1HZ   LYS  29          1HZ       LYS  29 -12.188   3.415   5.521
  266   2HZ   LYS  29          2HZ       LYS  29 -12.424   4.845   4.639
  267   3HZ   LYS  29          3HZ       LYS  29 -11.781   4.913   6.207
  268    H    CYS  30           H        CYS  30  -7.919   2.451  -0.268
  269    HA   CYS  30           HA       CYS  30  -6.578   4.892   0.263
  270   1HB   CYS  30          2HB       CYS  30  -5.844   2.256   0.009
  271   2HB   CYS  30          1HB       CYS  30  -5.171   2.970  -1.451
  272    H    GLY  31           H        GLY  31  -8.087   3.556  -2.536
  273   1HA   GLY  31          1HA       GLY  31  -6.711   5.084  -4.512
  274   2HA   GLY  31          2HA       GLY  31  -8.258   4.270  -4.717
  275    H    TRP  32           H        TRP  32  -8.998   5.942  -2.162
  276    HA   TRP  32           HA       TRP  32 -10.157   8.137  -3.652
  277   1HB   TRP  32          2HB       TRP  32 -10.390   7.219  -0.785
  278   2HB   TRP  32          1HB       TRP  32 -11.106   8.727  -1.348
  279    HD1  TRP  32           HD       TRP  32 -12.113   5.345  -0.714
  280    HE1  TRP  32           1HE      TRP  32 -14.164   4.647  -2.107
  281    HE3  TRP  32           3HE      TRP  32 -12.075   9.122  -4.156
  282    HZ2  TRP  32           2HZ      TRP  32 -15.578   5.588  -4.351
  283    HZ3  TRP  32           3HZ      TRP  32 -13.813   9.148  -5.894
  284    HH2  TRP  32           HH       TRP  32 -15.529   7.414  -5.988
  285    H    PHE  33           H        PHE  33  -7.894   8.870  -4.141
  286    HA   PHE  33           HA       PHE  33  -6.450  10.153  -2.002
  287   1HB   PHE  33          2HB       PHE  33  -5.774   9.174  -4.522
  288   2HB   PHE  33          1HB       PHE  33  -5.634  10.924  -4.689
  289    HD1  PHE  33           1HD      PHE  33  -3.836  12.092  -3.743
  290    HD2  PHE  33           2HD      PHE  33  -4.477   8.013  -2.727
  291    HE1  PHE  33           1HE      PHE  33  -1.640  12.030  -2.637
  292    HE2  PHE  33           2HE      PHE  33  -2.287   7.943  -1.608
  293    HZ   PHE  33           HZ       PHE  33  -0.864   9.953  -1.565
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   8.916  -0.419   0.989
    2   2H    GLY   1          2H        GLY   1   9.105  -2.031   0.486
    3   3H    GLY   1          3H        GLY   1  10.108  -0.823  -0.147
    4   1HA   GLY   1          2HA       GLY   1  11.564  -1.088   1.476
    5   2HA   GLY   1          1HA       GLY   1  10.300  -0.763   2.654
    6    H    SER   2           H        SER   2  11.875  -2.385   3.734
    7    HA   SER   2           HA       SER   2  10.930  -5.119   3.146
    8   1HB   SER   2          2HB       SER   2  13.395  -4.816   4.754
    9   2HB   SER   2          1HB       SER   2  13.026  -5.948   3.452
   10    HG   SER   2           HG       SER   2  13.249  -4.040   2.023
   11    H    ARG   3           H        ARG   3   9.282  -3.616   4.661
   12    HA   ARG   3           HA       ARG   3   9.845  -4.228   7.466
   13   1HB   ARG   3          2HB       ARG   3   8.840  -2.006   6.663
   14   2HB   ARG   3          1HB       ARG   3   7.352  -2.908   6.409
   15   1HG   ARG   3          2HG       ARG   3   6.911  -2.258   8.509
   16   2HG   ARG   3          1HG       ARG   3   7.917  -3.639   8.936
   17   1HD   ARG   3          2HD       ARG   3   8.414  -0.766   9.249
   18   2HD   ARG   3          1HD       ARG   3   9.044  -2.129  10.168
   19    HE   ARG   3           HE       ARG   3  10.272  -0.814   7.902
   20   1HH1  ARG   3          2HH1      ARG   3  10.239  -3.654   9.964
   21   2HH1  ARG   3          1HH1      ARG   3  11.846  -4.151   9.517
   22   1HH2  ARG   3          2HH2      ARG   3  12.412  -1.431   7.375
   23   2HH2  ARG   3          1HH2      ARG   3  13.084  -2.881   8.069
   24    H    LEU   4           H        LEU   4   7.926  -5.224   4.772
   25    HA   LEU   4           HA       LEU   4   7.008  -7.541   6.314
   26   1HB   LEU   4          2HB       LEU   4   5.344  -5.511   4.982
   27   2HB   LEU   4          1HB       LEU   4   4.951  -7.161   4.539
   28    HG   LEU   4           HG       LEU   4   5.042  -7.421   7.225
   29   1HD1  LEU   4          1HD1      LEU   4   5.515  -5.019   7.530
   30   2HD1  LEU   4          2HD1      LEU   4   3.982  -4.640   6.745
   31   3HD1  LEU   4          3HD1      LEU   4   3.994  -5.516   8.275
   32   1HD2  LEU   4          1HD2      LEU   4   2.449  -6.608   6.823
   33   2HD2  LEU   4          2HD2      LEU   4   2.981  -7.057   5.203
   34   3HD2  LEU   4          3HD2      LEU   4   3.085  -8.225   6.522
   35    HA   PRO   5           HA       PRO   5   8.536  -9.840   2.907
   36   1HB   PRO   5          2HB       PRO   5   6.198 -11.633   3.013
   37   2HB   PRO   5          1HB       PRO   5   7.898 -11.986   3.331
   38   1HG   PRO   5          2HG       PRO   5   6.101 -11.890   5.314
   39   2HG   PRO   5          1HG       PRO   5   7.762 -11.314   5.539
   40   1HD   PRO   5          2HD       PRO   5   5.261  -9.740   5.046
   41   2HD   PRO   5          1HD       PRO   5   6.589  -9.417   6.182
   42    H    LYS   6           H        LYS   6   7.687 -11.069   0.812
   43    HA   LYS   6           HA       LYS   6   6.457  -9.033  -0.785
   44   1HB   LYS   6          2HB       LYS   6   8.156 -11.216  -1.247
   45   2HB   LYS   6          1HB       LYS   6   6.681 -11.573  -2.136
   46   1HG   LYS   6          2HG       LYS   6   6.998  -9.043  -2.897
   47   2HG   LYS   6          1HG       LYS   6   8.685  -9.434  -2.550
   48   1HD   LYS   6          2HD       LYS   6   7.434 -11.569  -4.025
   49   2HD   LYS   6          1HD       LYS   6   7.239 -10.031  -4.871
   50   1HE   LYS   6          2HE       LYS   6   9.285 -10.481  -5.680
   51   2HE   LYS   6          1HE       LYS   6   9.837  -9.879  -4.117
   52   1HZ   LYS   6          1HZ       LYS   6  10.908 -11.916  -4.402
   53   2HZ   LYS   6          2HZ       LYS   6   9.514 -12.688  -4.993
   54   3HZ   LYS   6          3HZ       LYS   6   9.624 -12.277  -3.352
   55    H    LEU   7           H        LEU   7   4.424  -8.917   0.243
   56    HA   LEU   7           HA       LEU   7   2.579 -11.124  -0.341
   57   1HB   LEU   7          2HB       LEU   7   1.937  -8.682   1.284
   58   2HB   LEU   7          1HB       LEU   7   1.131 -10.230   1.294
   59    HG   LEU   7           HG       LEU   7   3.883  -9.696   2.407
   60   1HD1  LEU   7          1HD1      LEU   7   2.952  -9.679   4.536
   61   2HD1  LEU   7          2HD1      LEU   7   1.808  -8.730   3.587
   62   3HD1  LEU   7          3HD1      LEU   7   1.444 -10.409   3.985
   63   1HD2  LEU   7          1HD2      LEU   7   4.151 -11.898   2.229
   64   2HD2  LEU   7          2HD2      LEU   7   2.892 -12.054   3.454
   65   3HD2  LEU   7          3HD2      LEU   7   2.471 -12.133   1.743
   66    H    TYR   8           H        TYR   8   0.389  -9.063  -0.058
   67    HA   TYR   8           HA       TYR   8   0.314  -8.211  -2.843
   68   1HB   TYR   8          2HB       TYR   8  -1.703  -7.978  -0.593
   69   2HB   TYR   8          1HB       TYR   8  -1.973  -7.385  -2.231
   70    HD1  TYR   8           1HD      TYR   8  -1.413 -10.447  -0.221
   71    HD2  TYR   8           2HD      TYR   8  -2.661  -8.830  -3.950
   72    HE1  TYR   8           1HE      TYR   8  -2.264 -12.653  -0.885
   73    HE2  TYR   8           2HE      TYR   8  -3.512 -11.028  -4.626
   74    HH   TYR   8           HH       TYR   8  -3.201 -13.861  -2.486
   75    H    LEU   9           H        LEU   9   1.601  -6.489  -3.171
   76    HA   LEU   9           HA       LEU   9   1.888  -4.466  -1.132
   77   1HB   LEU   9          2HB       LEU   9   3.801  -5.204  -2.492
   78   2HB   LEU   9          1HB       LEU   9   3.011  -4.585  -3.930
   79    HG   LEU   9           HG       LEU   9   3.171  -2.298  -3.053
   80   1HD1  LEU   9          1HD1      LEU   9   4.288  -1.769  -1.026
   81   2HD1  LEU   9          2HD1      LEU   9   3.070  -2.985  -0.643
   82   3HD1  LEU   9          3HD1      LEU   9   4.766  -3.449  -0.777
   83   1HD2  LEU   9          1HD2      LEU   9   5.759  -2.254  -2.927
   84   2HD2  LEU   9          2HD2      LEU   9   5.632  -3.977  -3.285
   85   3HD2  LEU   9          3HD2      LEU   9   4.974  -2.792  -4.413
   86    H    CYS  10           H        CYS  10   0.695  -2.727  -0.939
   87    HA   CYS  10           HA       CYS  10  -1.171  -1.918  -2.992
   88   1HB   CYS  10          2HB       CYS  10  -2.024  -1.722  -0.778
   89   2HB   CYS  10          1HB       CYS  10  -0.555  -0.947  -0.200
   90    H    GLU  11           H        GLU  11  -0.366  -0.789  -4.618
   91    HA   GLU  11           HA       GLU  11   2.091   0.618  -4.460
   92   1HB   GLU  11          2HB       GLU  11   0.048   0.093  -6.533
   93   2HB   GLU  11          1HB       GLU  11   1.042   1.525  -6.770
   94   1HG   GLU  11          2HG       GLU  11   2.557   0.198  -7.676
   95   2HG   GLU  11          1HG       GLU  11   2.853  -0.447  -6.065
   96    H    PHE  12           H        PHE  12  -0.587   1.491  -2.975
   97    HA   PHE  12           HA       PHE  12  -0.507   4.304  -3.786
   98   1HB   PHE  12          2HB       PHE  12  -2.455   2.872  -1.972
   99   2HB   PHE  12          1HB       PHE  12  -2.556   4.564  -2.446
  100    HD1  PHE  12           1HD      PHE  12  -1.811   4.282  -5.333
  101    HD2  PHE  12           2HD      PHE  12  -4.433   2.015  -2.869
  102    HE1  PHE  12           1HE      PHE  12  -3.127   3.657  -7.314
  103    HE2  PHE  12           2HE      PHE  12  -5.757   1.386  -4.846
  104    HZ   PHE  12           HZ       PHE  12  -5.103   2.206  -7.074
  105    H    CYS  13           H        CYS  13  -0.101   2.238  -0.913
  106    HA   CYS  13           HA       CYS  13   1.276   4.518   0.355
  107   1HB   CYS  13          2HB       CYS  13   0.569   3.694   2.546
  108   2HB   CYS  13          1HB       CYS  13  -0.827   4.034   1.530
  109    H    LEU  14           H        LEU  14   1.586   1.506  -0.935
  110    HA   LEU  14           HA       LEU  14   3.212  -0.029  -1.054
  111   1HB   LEU  14          2HB       LEU  14   4.791   2.167   0.256
  112   2HB   LEU  14          1HB       LEU  14   5.507   0.657  -0.278
  113    HG   LEU  14           HG       LEU  14   3.909   2.233  -2.237
  114   1HD1  LEU  14          1HD1      LEU  14   5.429   3.829  -1.047
  115   2HD1  LEU  14          2HD1      LEU  14   6.784   2.870  -1.645
  116   3HD1  LEU  14          3HD1      LEU  14   5.702   3.672  -2.782
  117   1HD2  LEU  14          1HD2      LEU  14   5.937   1.372  -3.631
  118   2HD2  LEU  14          2HD2      LEU  14   6.148   0.266  -2.273
  119   3HD2  LEU  14          3HD2      LEU  14   4.635   0.271  -3.179
  120    H    LYS  15           H        LYS  15   1.428  -0.490   0.865
  121    HA   LYS  15           HA       LYS  15   3.058  -1.692   3.003
  122   1HB   LYS  15          2HB       LYS  15   0.985  -0.041   3.455
  123   2HB   LYS  15          1HB       LYS  15   0.104  -1.556   3.305
  124   1HG   LYS  15          2HG       LYS  15   0.614  -1.109   5.621
  125   2HG   LYS  15          1HG       LYS  15   1.499  -2.531   5.070
  126   1HD   LYS  15          2HD       LYS  15   3.366  -1.579   5.814
  127   2HD   LYS  15          1HD       LYS  15   3.181  -0.355   4.556
  128   1HE   LYS  15          2HE       LYS  15   1.511   0.098   6.914
  129   2HE   LYS  15          1HE       LYS  15   3.243   0.134   7.247
  130   1HZ   LYS  15          1HZ       LYS  15   1.646   1.891   5.507
  131   2HZ   LYS  15          2HZ       LYS  15   3.292   1.657   5.168
  132   3HZ   LYS  15          3HZ       LYS  15   2.820   2.298   6.662
  133    H    TYR  16           H        TYR  16   2.600  -3.909   3.502
  134    HA   TYR  16           HA       TYR  16   1.612  -5.332   1.151
  135   1HB   TYR  16          2HB       TYR  16   3.441  -6.049   3.419
  136   2HB   TYR  16          1HB       TYR  16   2.727  -7.305   2.411
  137    HD1  TYR  16           1HD      TYR  16   5.343  -4.873   2.698
  138    HD2  TYR  16           2HD      TYR  16   3.137  -7.205  -0.095
  139    HE1  TYR  16           1HE      TYR  16   7.116  -4.541   1.032
  140    HE2  TYR  16           2HE      TYR  16   4.908  -6.871  -1.773
  141    HH   TYR  16           HH       TYR  16   6.751  -5.682  -2.294
  142    H    MET  17           H        MET  17  -0.205  -6.424   1.120
  143    HA   MET  17           HA       MET  17  -1.670  -6.844   3.632
  144   1HB   MET  17          2HB       MET  17  -2.909  -7.390   0.981
  145   2HB   MET  17          1HB       MET  17  -3.637  -6.739   2.443
  146   1HG   MET  17          2HG       MET  17  -1.621  -5.074   1.053
  147   2HG   MET  17          1HG       MET  17  -3.199  -5.265   0.285
  148   1HE   MET  17          1HE       MET  17  -2.288  -1.982   2.887
  149   2HE   MET  17          2HE       MET  17  -1.137  -3.319   2.847
  150   3HE   MET  17          3HE       MET  17  -1.718  -2.608   1.342
  151    H    LYS  18           H        LYS  18  -2.254  -8.869   4.306
  152    HA   LYS  18           HA       LYS  18  -0.677 -11.016   3.259
  153   1HB   LYS  18          2HB       LYS  18  -1.279 -10.575   5.707
  154   2HB   LYS  18          1HB       LYS  18  -2.839 -11.294   5.333
  155   1HG   LYS  18          2HG       LYS  18  -1.916 -13.241   5.873
  156   2HG   LYS  18          1HG       LYS  18  -1.048 -13.134   4.340
  157   1HD   LYS  18          2HD       LYS  18   0.276 -11.576   6.373
  158   2HD   LYS  18          1HD       LYS  18   0.049 -13.241   6.908
  159   1HE   LYS  18          2HE       LYS  18   1.392 -12.326   4.365
  160   2HE   LYS  18          1HE       LYS  18   2.176 -13.027   5.779
  161   1HZ   LYS  18          1HZ       LYS  18   1.060 -15.098   5.380
  162   2HZ   LYS  18          2HZ       LYS  18   1.861 -14.626   3.960
  163   3HZ   LYS  18          3HZ       LYS  18   0.183 -14.438   4.086
  164    H    SER  19           H        SER  19  -4.045 -10.098   3.015
  165    HA   SER  19           HA       SER  19  -4.483 -12.465   1.325
  166   1HB   SER  19          2HB       SER  19  -6.780 -11.167   2.734
  167   2HB   SER  19          1HB       SER  19  -6.575 -12.846   2.232
  168    HG   SER  19           HG       SER  19  -5.273 -13.219   3.964
  169    H    ARG  20           H        ARG  20  -5.854 -12.240  -0.461
  170    HA   ARG  20           HA       ARG  20  -5.550  -9.880  -1.940
  171   1HB   ARG  20          2HB       ARG  20  -6.126 -12.378  -2.625
  172   2HB   ARG  20          1HB       ARG  20  -7.774 -11.769  -2.571
  173   1HG   ARG  20          2HG       ARG  20  -7.392 -10.243  -4.296
  174   2HG   ARG  20          1HG       ARG  20  -5.640 -10.382  -4.142
  175   1HD   ARG  20          2HD       ARG  20  -7.294 -12.764  -4.876
  176   2HD   ARG  20          1HD       ARG  20  -6.840 -11.579  -6.100
  177    HE   ARG  20           HE       ARG  20  -4.806 -12.925  -4.438
  178   1HH1  ARG  20          2HH1      ARG  20  -6.105 -12.040  -7.574
  179   2HH1  ARG  20          1HH1      ARG  20  -4.734 -12.652  -8.458
  180   1HH2  ARG  20          2HH2      ARG  20  -2.991 -13.702  -5.587
  181   2HH2  ARG  20          1HH2      ARG  20  -2.936 -13.550  -7.318
  182    H    THR  21           H        THR  21  -8.310 -11.147  -0.117
  183    HA   THR  21           HA       THR  21 -10.169  -9.182  -0.854
  184    HB   THR  21           HB       THR  21 -10.738 -11.327   0.299
  185    HG1  THR  21           1HG      THR  21 -12.049  -9.218   0.275
  186   1HG2  THR  21          1HG2      THR  21  -9.175 -10.084   2.439
  187   2HG2  THR  21          2HG2      THR  21  -9.576 -11.779   2.166
  188   3HG2  THR  21          3HG2      THR  21 -10.732 -10.720   2.972
  189    H    ILE  22           H        ILE  22  -7.547  -9.098   1.414
  190    HA   ILE  22           HA       ILE  22  -8.411  -6.750   2.809
  191    HB   ILE  22           HB       ILE  22  -5.697  -8.061   2.588
  192   1HG1  ILE  22          2HG1      ILE  22  -7.621  -7.975   4.916
  193   1HG2  ILE  22          1HG2      ILE  22  -6.064  -5.468   3.194
  194   2HG2  ILE  22          2HG2      ILE  22  -6.250  -6.196   4.790
  195   3HG2  ILE  22          3HG2      ILE  22  -4.771  -6.461   3.868
  196   1HD1  ILE  22          1HD1      ILE  22  -6.156  -9.132   6.118
  197   2HD1  ILE  22          2HD1      ILE  22  -5.747 -10.184   4.764
  198   3HD1  ILE  22          3HD1      ILE  22  -4.954  -8.617   4.935
  199    H    LEU  23           H        LEU  23  -5.979  -7.452   0.321
  200    HA   LEU  23           HA       LEU  23  -5.145  -4.844  -0.210
  201   1HB   LEU  23          2HB       LEU  23  -4.274  -7.152  -1.046
  202   2HB   LEU  23          1HB       LEU  23  -5.413  -6.930  -2.355
  203    HG   LEU  23           HG       LEU  23  -2.805  -6.147  -2.398
  204   1HD1  LEU  23          1HD1      LEU  23  -3.718  -4.556  -4.271
  205   2HD1  LEU  23          2HD1      LEU  23  -3.810  -6.310  -4.429
  206   3HD1  LEU  23          3HD1      LEU  23  -5.231  -5.395  -3.926
  207   1HD2  LEU  23          1HD2      LEU  23  -2.918  -4.355  -0.896
  208   2HD2  LEU  23          2HD2      LEU  23  -2.970  -3.616  -2.495
  209   3HD2  LEU  23          3HD2      LEU  23  -4.452  -3.787  -1.554
  210    H    GLN  24           H        GLN  24  -7.763  -6.732  -1.639
  211    HA   GLN  24           HA       GLN  24  -8.536  -4.923  -3.621
  212   1HB   GLN  24          2HB       GLN  24  -9.911  -7.151  -2.173
  213   2HB   GLN  24          1HB       GLN  24 -10.839  -6.123  -3.255
  214   1HG   GLN  24          2HG       GLN  24  -8.300  -7.297  -4.254
  215   2HG   GLN  24          1HG       GLN  24  -9.708  -8.345  -4.089
  216   1HE2  GLN  24          1HE2      GLN  24  -8.182  -5.922  -5.932
  217   2HE2  GLN  24          2HE2      GLN  24  -9.419  -5.745  -7.138
  218    H    GLN  25           H        GLN  25  -9.810  -5.314  -0.319
  219    HA   GLN  25           HA       GLN  25 -11.666  -3.165  -0.623
  220   1HB   GLN  25          2HB       GLN  25 -10.745  -4.849   1.684
  221   2HB   GLN  25          1HB       GLN  25 -11.771  -3.446   1.957
  222   1HG   GLN  25          2HG       GLN  25 -13.540  -4.369   0.697
  223   2HG   GLN  25          1HG       GLN  25 -12.503  -5.627   0.027
  224   1HE2  GLN  25          1HE2      GLN  25 -11.438  -7.000   1.811
  225   2HE2  GLN  25          2HE2      GLN  25 -12.516  -7.563   3.044
  226    H    HIS  26           H        HIS  26  -8.455  -3.494   0.764
  227    HA   HIS  26           HA       HIS  26  -8.334  -1.010   2.072
  228   1HB   HIS  26          2HB       HIS  26  -6.708  -2.638   2.652
  229   2HB   HIS  26          1HB       HIS  26  -6.218  -2.860   0.979
  230    HD1  HIS  26           1HD      HIS  26  -5.327  -1.021   4.028
  231    HD2  HIS  26           2HD      HIS  26  -4.763  -0.567  -0.080
  232    HE1  HIS  26           1HE      HIS  26  -3.454   0.681   3.725
  233    H    MET  27           H        MET  27  -7.556  -1.960  -1.242
  234    HA   MET  27           HA       MET  27  -6.274   0.411  -2.005
  235   1HB   MET  27          2HB       MET  27  -7.585  -1.834  -3.462
  236   2HB   MET  27          1HB       MET  27  -7.199  -0.374  -4.363
  237   1HG   MET  27          2HG       MET  27  -4.847  -0.628  -3.373
  238   2HG   MET  27          1HG       MET  27  -5.347  -2.269  -2.976
  239   1HE   MET  27          1HE       MET  27  -2.774  -2.298  -5.040
  240   2HE   MET  27          2HE       MET  27  -3.125  -1.304  -6.454
  241   3HE   MET  27          3HE       MET  27  -3.221  -0.603  -4.839
  242    H    LYS  28           H        LYS  28  -9.556  -0.144  -1.349
  243    HA   LYS  28           HA       LYS  28 -10.562   1.965  -3.060
  244   1HB   LYS  28          2HB       LYS  28 -12.052   0.656  -0.793
  245   2HB   LYS  28          1HB       LYS  28 -12.717   1.442  -2.217
  246   1HG   LYS  28          2HG       LYS  28 -11.343  -1.221  -2.041
  247   2HG   LYS  28          1HG       LYS  28 -13.000  -0.871  -2.542
  248   1HD   LYS  28          2HD       LYS  28 -11.707   0.590  -4.354
  249   2HD   LYS  28          1HD       LYS  28 -10.457  -0.617  -4.041
  250   1HE   LYS  28          2HE       LYS  28 -12.246  -2.362  -4.412
  251   2HE   LYS  28          1HE       LYS  28 -13.268  -1.061  -5.017
  252   1HZ   LYS  28          1HZ       LYS  28 -11.372  -0.563  -6.591
  253   2HZ   LYS  28          2HZ       LYS  28 -12.244  -1.984  -6.896
  254   3HZ   LYS  28          3HZ       LYS  28 -10.727  -2.070  -6.150
  255    H    LYS  29           H        LYS  29  -9.422   1.588   0.187
  256    HA   LYS  29           HA       LYS  29 -10.464   4.187   0.977
  257   1HB   LYS  29          2HB       LYS  29  -9.936   3.672   3.172
  258   2HB   LYS  29          1HB       LYS  29 -10.363   2.106   2.501
  259   1HG   LYS  29          2HG       LYS  29  -8.383   1.287   3.022
  260   2HG   LYS  29          1HG       LYS  29  -7.561   2.581   2.152
  261   1HD   LYS  29          2HD       LYS  29  -6.771   2.978   4.256
  262   2HD   LYS  29          1HD       LYS  29  -8.232   3.966   4.297
  263   1HE   LYS  29          2HE       LYS  29  -9.421   2.010   5.309
  264   2HE   LYS  29          1HE       LYS  29  -7.862   1.192   5.417
  265   1HZ   LYS  29          1HZ       LYS  29  -7.101   3.186   6.729
  266   2HZ   LYS  29          2HZ       LYS  29  -8.231   2.181   7.499
  267   3HZ   LYS  29          3HZ       LYS  29  -8.730   3.653   6.818
  268    H    CYS  30           H        CYS  30  -7.524   2.712  -0.074
  269    HA   CYS  30           HA       CYS  30  -5.847   4.940   0.646
  270   1HB   CYS  30          2HB       CYS  30  -5.435   2.290  -0.107
  271   2HB   CYS  30          1HB       CYS  30  -4.835   3.221  -1.469
  272    H    GLY  31           H        GLY  31  -7.027   3.552  -2.410
  273   1HA   GLY  31          1HA       GLY  31  -6.662   6.156  -3.729
  274   2HA   GLY  31          2HA       GLY  31  -7.003   4.626  -4.541
  275    H    TRP  32           H        TRP  32  -8.428   6.772  -2.108
  276    HA   TRP  32           HA       TRP  32 -11.045   5.825  -2.365
  277   1HB   TRP  32          2HB       TRP  32  -9.702   7.823  -0.853
  278   2HB   TRP  32          1HB       TRP  32 -11.106   8.578  -1.599
  279    HD1  TRP  32           HD       TRP  32 -10.134   6.572   1.325
  280    HE1  TRP  32           1HE      TRP  32 -12.209   5.713   2.574
  281    HE3  TRP  32           3HE      TRP  32 -13.677   7.584  -2.213
  282    HZ2  TRP  32           2HZ      TRP  32 -14.980   5.487   2.120
  283    HZ3  TRP  32           3HZ      TRP  32 -16.022   7.015  -1.726
  284    HH2  TRP  32           HH       TRP  32 -16.657   5.987   0.398
  285    H    PHE  33           H        PHE  33  -9.397   8.501  -3.970
  286    HA   PHE  33           HA       PHE  33 -11.690   8.678  -5.808
  287   1HB   PHE  33          2HB       PHE  33 -10.613  10.742  -4.154
  288   2HB   PHE  33          1HB       PHE  33 -10.249  11.138  -5.837
  289    HD1  PHE  33           1HD      PHE  33 -11.938  11.869  -7.308
  290    HD2  PHE  33           2HD      PHE  33 -12.975  10.367  -3.465
  291    HE1  PHE  33           1HE      PHE  33 -14.237  12.690  -7.613
  292    HE2  PHE  33           2HE      PHE  33 -15.280  11.176  -3.766
  293    HZ   PHE  33           HZ       PHE  33 -15.910  12.339  -5.842
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  10.262 -20.089   6.481
    2   2H    GLY   1          2H        GLY   1   9.912 -18.437   6.626
    3   3H    GLY   1          3H        GLY   1   9.584 -19.487   7.915
    4   1HA   GLY   1          2HA       GLY   1  11.730 -19.613   8.585
    5   2HA   GLY   1          1HA       GLY   1  12.337 -19.351   6.955
    6    H    SER   2           H        SER   2  13.810 -17.832   8.002
    7    HA   SER   2           HA       SER   2  12.639 -15.378   9.033
    8   1HB   SER   2          2HB       SER   2  15.512 -15.313   8.627
    9   2HB   SER   2          1HB       SER   2  14.594 -15.199  10.129
   10    HG   SER   2           HG       SER   2  14.515 -17.444  10.227
   11    H    ARG   3           H        ARG   3  11.909 -15.758   6.394
   12    HA   ARG   3           HA       ARG   3  13.301 -13.529   5.102
   13   1HB   ARG   3          2HB       ARG   3  12.911 -16.285   3.978
   14   2HB   ARG   3          1HB       ARG   3  12.977 -14.894   2.904
   15   1HG   ARG   3          2HG       ARG   3  15.165 -14.644   4.644
   16   2HG   ARG   3          1HG       ARG   3  15.119 -16.335   4.141
   17   1HD   ARG   3          2HD       ARG   3  15.160 -13.914   2.343
   18   2HD   ARG   3          1HD       ARG   3  16.478 -15.057   2.603
   19    HE   ARG   3           HE       ARG   3  14.664 -16.712   1.679
   20   1HH1  ARG   3          2HH1      ARG   3  15.453 -13.489   0.553
   21   2HH1  ARG   3          1HH1      ARG   3  14.878 -13.783  -1.061
   22   1HH2  ARG   3          2HH2      ARG   3  13.931 -17.103  -0.422
   23   2HH2  ARG   3          1HH2      ARG   3  14.028 -15.847  -1.622
   24    H    LEU   4           H        LEU   4  12.031 -12.443   3.496
   25    HA   LEU   4           HA       LEU   4   9.147 -13.030   3.706
   26   1HB   LEU   4          2HB       LEU   4  10.385 -10.734   4.556
   27   2HB   LEU   4          1HB       LEU   4   9.882 -10.293   2.935
   28    HG   LEU   4           HG       LEU   4   7.842 -11.580   4.664
   29   1HD1  LEU   4          1HD1      LEU   4   9.023  -8.876   5.166
   30   2HD1  LEU   4          2HD1      LEU   4   7.335  -9.221   5.541
   31   3HD1  LEU   4          3HD1      LEU   4   8.618 -10.144   6.322
   32   1HD2  LEU   4          1HD2      LEU   4   6.458 -10.717   3.149
   33   2HD2  LEU   4          2HD2      LEU   4   7.179  -9.116   3.297
   34   3HD2  LEU   4          3HD2      LEU   4   7.891 -10.304   2.205
   35    HA   PRO   5           HA       PRO   5  10.039 -13.826  -0.633
   36   1HB   PRO   5          2HB       PRO   5   7.593 -14.940  -1.169
   37   2HB   PRO   5          1HB       PRO   5   8.947 -15.821  -0.455
   38   1HG   PRO   5          2HG       PRO   5   6.573 -14.592   0.885
   39   2HG   PRO   5          1HG       PRO   5   7.353 -16.153   1.199
   40   1HD   PRO   5          2HD       PRO   5   7.780 -14.003   2.765
   41   2HD   PRO   5          1HD       PRO   5   9.054 -15.195   2.437
   42    H    LYS   6           H        LYS   6   6.579 -13.158  -0.248
   43    HA   LYS   6           HA       LYS   6   6.760 -10.529  -1.364
   44   1HB   LYS   6          2HB       LYS   6   5.707 -10.899  -3.455
   45   2HB   LYS   6          1HB       LYS   6   6.986 -12.102  -3.360
   46   1HG   LYS   6          2HG       LYS   6   5.440 -13.599  -3.915
   47   2HG   LYS   6          1HG       LYS   6   4.798 -13.401  -2.283
   48   1HD   LYS   6          2HD       LYS   6   2.910 -12.594  -3.132
   49   2HD   LYS   6          1HD       LYS   6   3.810 -11.261  -3.858
   50   1HE   LYS   6          2HE       LYS   6   4.038 -13.785  -5.317
   51   2HE   LYS   6          1HE       LYS   6   2.392 -13.157  -5.231
   52   1HZ   LYS   6          1HZ       LYS   6   3.012 -11.929  -6.972
   53   2HZ   LYS   6          2HZ       LYS   6   4.668 -12.157  -6.688
   54   3HZ   LYS   6          3HZ       LYS   6   3.823 -10.958  -5.842
   55    H    LEU   7           H        LEU   7   4.581  -9.554  -1.589
   56    HA   LEU   7           HA       LEU   7   2.378 -10.989  -0.377
   57   1HB   LEU   7          2HB       LEU   7   3.970  -9.148   1.159
   58   2HB   LEU   7          1HB       LEU   7   2.352  -8.508   0.960
   59    HG   LEU   7           HG       LEU   7   1.890  -9.683   2.812
   60   1HD1  LEU   7          1HD1      LEU   7   0.664 -11.476   2.281
   61   2HD1  LEU   7          2HD1      LEU   7   1.168 -11.145   0.624
   62   3HD1  LEU   7          3HD1      LEU   7   2.043 -12.332   1.590
   63   1HD2  LEU   7          1HD2      LEU   7   3.362 -11.900   3.191
   64   2HD2  LEU   7          2HD2      LEU   7   4.479 -10.947   2.215
   65   3HD2  LEU   7          3HD2      LEU   7   3.853 -10.293   3.728
   66    H    TYR   8           H        TYR   8   0.484  -9.206  -0.133
   67    HA   TYR   8           HA       TYR   8   0.114  -8.244  -2.796
   68   1HB   TYR   8          2HB       TYR   8  -1.624  -8.230  -0.322
   69   2HB   TYR   8          1HB       TYR   8  -2.147  -7.776  -1.932
   70    HD1  TYR   8           1HD      TYR   8  -2.244  -9.495  -3.738
   71    HD2  TYR   8           2HD      TYR   8  -1.458 -10.502   0.317
   72    HE1  TYR   8           1HE      TYR   8  -2.760 -11.845  -4.231
   73    HE2  TYR   8           2HE      TYR   8  -1.969 -12.856  -0.163
   74    HH   TYR   8           HH       TYR   8  -1.901 -14.241  -2.866
   75    H    LEU   9           H        LEU   9   1.701  -6.573  -2.819
   76    HA   LEU   9           HA       LEU   9   1.707  -4.461  -0.925
   77   1HB   LEU   9          2HB       LEU   9   3.645  -5.221  -2.329
   78   2HB   LEU   9          1HB       LEU   9   2.873  -4.465  -3.708
   79    HG   LEU   9           HG       LEU   9   2.981  -2.283  -2.452
   80   1HD1  LEU   9          1HD1      LEU   9   4.982  -3.700  -0.717
   81   2HD1  LEU   9          2HD1      LEU   9   4.355  -2.057  -0.555
   82   3HD1  LEU   9          3HD1      LEU   9   3.308  -3.438  -0.221
   83   1HD2  LEU   9          1HD2      LEU   9   5.271  -1.876  -3.035
   84   2HD2  LEU   9          2HD2      LEU   9   5.630  -3.604  -2.989
   85   3HD2  LEU   9          3HD2      LEU   9   4.562  -2.956  -4.235
   86    H    CYS  10           H        CYS  10   0.450  -2.711  -0.811
   87    HA   CYS  10           HA       CYS  10  -1.664  -2.205  -2.575
   88   1HB   CYS  10          2HB       CYS  10  -2.246  -1.065  -0.736
   89   2HB   CYS  10          1HB       CYS  10  -0.607  -1.135  -0.120
   90    H    GLU  11           H        GLU  11   1.575  -0.896  -2.321
   91    HA   GLU  11           HA       GLU  11   2.953   0.086  -3.813
   92   1HB   GLU  11          2HB       GLU  11   0.684  -0.286  -5.766
   93   2HB   GLU  11          1HB       GLU  11   2.294   0.275  -6.199
   94   1HG   GLU  11          2HG       GLU  11   2.969  -1.971  -4.937
   95   2HG   GLU  11          1HG       GLU  11   1.353  -2.429  -5.471
   96    H    PHE  12           H        PHE  12   0.077   1.460  -2.809
   97    HA   PHE  12           HA       PHE  12   0.828   4.090  -3.921
   98   1HB   PHE  12          2HB       PHE  12  -1.742   3.321  -2.518
   99   2HB   PHE  12          1HB       PHE  12  -1.408   4.840  -3.343
  100    HD1  PHE  12           1HD      PHE  12  -0.566   4.445  -5.875
  101    HD2  PHE  12           2HD      PHE  12  -3.074   1.831  -3.637
  102    HE1  PHE  12           1HE      PHE  12  -1.450   3.509  -7.969
  103    HE2  PHE  12           2HE      PHE  12  -3.961   0.888  -5.728
  104    HZ   PHE  12           HZ       PHE  12  -3.147   1.728  -7.897
  105    H    CYS  13           H        CYS  13  -0.119   2.449  -0.960
  106    HA   CYS  13           HA       CYS  13   1.231   4.470   0.693
  107   1HB   CYS  13          2HB       CYS  13  -0.053   1.934   1.703
  108   2HB   CYS  13          1HB       CYS  13   0.286   3.414   2.593
  109    H    LEU  14           H        LEU  14   1.586   1.578  -0.970
  110    HA   LEU  14           HA       LEU  14   3.219   0.048  -1.227
  111   1HB   LEU  14          2HB       LEU  14   4.862   2.120   0.216
  112   2HB   LEU  14          1HB       LEU  14   5.531   0.676  -0.518
  113    HG   LEU  14           HG       LEU  14   3.881   2.472  -2.226
  114   1HD1  LEU  14          1HD1      LEU  14   6.546   3.150  -1.080
  115   2HD1  LEU  14          2HD1      LEU  14   6.157   3.632  -2.731
  116   3HD1  LEU  14          3HD1      LEU  14   5.155   4.188  -1.392
  117   1HD2  LEU  14          1HD2      LEU  14   6.203   0.611  -2.573
  118   2HD2  LEU  14          2HD2      LEU  14   4.608   0.558  -3.329
  119   3HD2  LEU  14          3HD2      LEU  14   5.775   1.788  -3.817
  120    H    LYS  15           H        LYS  15   1.473  -0.465   0.743
  121    HA   LYS  15           HA       LYS  15   3.122  -1.622   2.887
  122   1HB   LYS  15          2HB       LYS  15   0.151  -1.046   2.882
  123   2HB   LYS  15          1HB       LYS  15   1.054  -1.754   4.215
  124   1HG   LYS  15          2HG       LYS  15   1.969   0.866   3.175
  125   2HG   LYS  15          1HG       LYS  15   0.470   0.825   4.107
  126   1HD   LYS  15          2HD       LYS  15   2.344  -0.771   5.489
  127   2HD   LYS  15          1HD       LYS  15   3.175   0.717   5.032
  128   1HE   LYS  15          2HE       LYS  15   0.728   0.370   6.727
  129   2HE   LYS  15          1HE       LYS  15   2.231   1.203   7.115
  130   1HZ   LYS  15          1HZ       LYS  15   0.035   2.104   5.349
  131   2HZ   LYS  15          2HZ       LYS  15   1.583   2.792   5.261
  132   3HZ   LYS  15          3HZ       LYS  15   0.692   2.891   6.702
  133    H    TYR  16           H        TYR  16   2.882  -3.785   3.389
  134    HA   TYR  16           HA       TYR  16   1.965  -5.423   1.176
  135   1HB   TYR  16          2HB       TYR  16   3.463  -6.024   3.725
  136   2HB   TYR  16          1HB       TYR  16   2.933  -7.286   2.619
  137    HD1  TYR  16           1HD      TYR  16   5.649  -5.431   3.551
  138    HD2  TYR  16           2HD      TYR  16   3.587  -6.650   0.043
  139    HE1  TYR  16           1HE      TYR  16   7.719  -5.153   2.253
  140    HE2  TYR  16           2HE      TYR  16   5.649  -6.372  -1.277
  141    HH   TYR  16           HH       TYR  16   7.913  -4.780  -0.846
  142    H    MET  17           H        MET  17  -0.101  -6.007   1.097
  143    HA   MET  17           HA       MET  17  -1.606  -6.408   3.572
  144   1HB   MET  17          2HB       MET  17  -2.548  -6.701   0.712
  145   2HB   MET  17          1HB       MET  17  -3.556  -6.669   2.149
  146   1HG   MET  17          2HG       MET  17  -1.789  -4.350   1.530
  147   2HG   MET  17          1HG       MET  17  -3.314  -4.557   0.674
  148   1HE   MET  17          1HE       MET  17  -1.455  -3.775   3.834
  149   2HE   MET  17          2HE       MET  17  -2.083  -2.259   3.189
  150   3HE   MET  17          3HE       MET  17  -2.631  -2.845   4.759
  151    H    LYS  18           H        LYS  18  -2.445  -8.385   4.182
  152    HA   LYS  18           HA       LYS  18  -0.770 -10.581   3.375
  153   1HB   LYS  18          2HB       LYS  18  -2.538  -9.942   5.628
  154   2HB   LYS  18          1HB       LYS  18  -2.535 -11.642   5.183
  155   1HG   LYS  18          2HG       LYS  18  -0.854 -11.545   6.748
  156   2HG   LYS  18          1HG       LYS  18   0.046 -11.391   5.238
  157   1HD   LYS  18          2HD       LYS  18  -0.741  -8.792   6.021
  158   2HD   LYS  18          1HD       LYS  18  -0.078  -9.592   7.448
  159   1HE   LYS  18          2HE       LYS  18   1.747 -10.318   5.603
  160   2HE   LYS  18          1HE       LYS  18   1.248  -8.759   4.946
  161   1HZ   LYS  18          1HZ       LYS  18   1.916  -7.655   6.881
  162   2HZ   LYS  18          2HZ       LYS  18   3.168  -8.760   6.578
  163   3HZ   LYS  18          3HZ       LYS  18   2.023  -9.087   7.785
  164    H    SER  19           H        SER  19  -4.102  -9.669   2.885
  165    HA   SER  19           HA       SER  19  -4.528 -12.198   1.441
  166   1HB   SER  19          2HB       SER  19  -6.694 -10.581   2.778
  167   2HB   SER  19          1HB       SER  19  -6.792 -12.238   2.177
  168    HG   SER  19           HG       SER  19  -5.298 -12.838   3.816
  169    H    ARG  20           H        ARG  20  -5.954 -12.145  -0.367
  170    HA   ARG  20           HA       ARG  20  -5.567  -9.975  -2.142
  171   1HB   ARG  20          2HB       ARG  20  -6.910 -12.569  -2.141
  172   2HB   ARG  20          1HB       ARG  20  -7.769 -11.364  -3.085
  173   1HG   ARG  20          2HG       ARG  20  -6.163 -11.265  -4.675
  174   2HG   ARG  20          1HG       ARG  20  -4.856 -11.565  -3.527
  175   1HD   ARG  20          2HD       ARG  20  -6.826 -13.650  -4.456
  176   2HD   ARG  20          1HD       ARG  20  -5.220 -13.419  -5.146
  177    HE   ARG  20           HE       ARG  20  -4.320 -13.982  -2.925
  178   1HH1  ARG  20          2HH1      ARG  20  -7.605 -14.949  -3.710
  179   2HH1  ARG  20          1HH1      ARG  20  -7.628 -16.239  -2.543
  180   1HH2  ARG  20          2HH2      ARG  20  -4.365 -15.672  -1.389
  181   2HH2  ARG  20          1HH2      ARG  20  -5.798 -16.649  -1.227
  182    H    THR  21           H        THR  21  -8.339 -11.066  -0.242
  183    HA   THR  21           HA       THR  21 -10.200  -9.129  -1.014
  184    HB   THR  21           HB       THR  21 -10.820  -9.685   1.615
  185    HG1  THR  21           1HG      THR  21  -9.663 -11.348   2.226
  186   1HG2  THR  21          1HG2      THR  21 -12.240  -9.986  -0.414
  187   2HG2  THR  21          2HG2      THR  21 -12.346 -11.326   0.729
  188   3HG2  THR  21          3HG2      THR  21 -11.381 -11.493  -0.738
  189    H    ILE  22           H        ILE  22  -7.849  -9.196   1.624
  190    HA   ILE  22           HA       ILE  22  -8.546  -6.761   2.821
  191    HB   ILE  22           HB       ILE  22  -6.142  -8.532   2.901
  192   1HG1  ILE  22          2HG1      ILE  22  -7.808  -7.389   5.145
  193   1HG2  ILE  22          1HG2      ILE  22  -6.163  -5.975   4.457
  194   2HG2  ILE  22          2HG2      ILE  22  -4.824  -7.081   4.154
  195   3HG2  ILE  22          3HG2      ILE  22  -5.439  -6.064   2.852
  196   1HD1  ILE  22          1HD1      ILE  22  -5.656  -8.528   5.718
  197   2HD1  ILE  22          2HD1      ILE  22  -7.102  -9.253   6.425
  198   3HD1  ILE  22          3HD1      ILE  22  -6.334 -10.001   5.024
  199    H    LEU  23           H        LEU  23  -6.248  -7.532   0.241
  200    HA   LEU  23           HA       LEU  23  -5.139  -4.935   0.009
  201   1HB   LEU  23          2HB       LEU  23  -4.463  -7.309  -0.991
  202   2HB   LEU  23          1HB       LEU  23  -5.374  -6.720  -2.365
  203    HG   LEU  23           HG       LEU  23  -2.687  -6.011  -1.442
  204   1HD1  LEU  23          1HD1      LEU  23  -3.456  -5.145  -4.079
  205   2HD1  LEU  23          2HD1      LEU  23  -2.267  -6.350  -3.583
  206   3HD1  LEU  23          3HD1      LEU  23  -3.958  -6.807  -3.774
  207   1HD2  LEU  23          1HD2      LEU  23  -4.488  -3.939  -1.190
  208   2HD2  LEU  23          2HD2      LEU  23  -2.745  -3.784  -1.404
  209   3HD2  LEU  23          3HD2      LEU  23  -3.815  -3.705  -2.804
  210    H    GLN  24           H        GLN  24  -7.734  -6.609  -1.750
  211    HA   GLN  24           HA       GLN  24  -8.312  -4.504  -3.517
  212   1HB   GLN  24          2HB       GLN  24  -9.835  -6.912  -2.592
  213   2HB   GLN  24          1HB       GLN  24 -10.623  -5.714  -3.609
  214   1HG   GLN  24          2HG       GLN  24  -8.497  -7.659  -4.259
  215   2HG   GLN  24          1HG       GLN  24  -9.867  -7.113  -5.220
  216   1HE2  GLN  24          1HE2      GLN  24  -6.596  -7.059  -4.974
  217   2HE2  GLN  24          2HE2      GLN  24  -6.261  -5.650  -5.923
  218    H    GLN  25           H        GLN  25  -9.700  -5.333  -0.357
  219    HA   GLN  25           HA       GLN  25 -11.599  -3.202  -0.415
  220   1HB   GLN  25          2HB       GLN  25 -12.213  -3.830   1.754
  221   2HB   GLN  25          1HB       GLN  25 -11.713  -5.336   1.001
  222   1HG   GLN  25          2HG       GLN  25  -9.440  -4.912   2.086
  223   2HG   GLN  25          1HG       GLN  25 -10.275  -3.700   3.057
  224   1HE2  GLN  25          1HE2      GLN  25 -11.758  -6.669   1.965
  225   2HE2  GLN  25          2HE2      GLN  25 -11.898  -7.403   3.528
  226    H    HIS  26           H        HIS  26  -8.250  -3.453   0.432
  227    HA   HIS  26           HA       HIS  26  -8.078  -1.060   1.975
  228   1HB   HIS  26          2HB       HIS  26  -6.225  -2.564   2.155
  229   2HB   HIS  26          1HB       HIS  26  -6.014  -2.622   0.407
  230    HD1  HIS  26           1HD      HIS  26  -5.187  -0.537   3.419
  231    HD2  HIS  26           2HD      HIS  26  -4.683  -0.409  -0.723
  232    HE1  HIS  26           1HE      HIS  26  -3.577   1.370   2.938
  233    H    MET  27           H        MET  27  -7.690  -1.845  -1.453
  234    HA   MET  27           HA       MET  27  -6.876   0.683  -2.329
  235   1HB   MET  27          2HB       MET  27  -8.039  -1.725  -3.616
  236   2HB   MET  27          1HB       MET  27  -8.089  -0.225  -4.531
  237   1HG   MET  27          2HG       MET  27  -5.629  -0.013  -4.125
  238   2HG   MET  27          1HG       MET  27  -5.668  -1.643  -3.459
  239   1HE   MET  27          1HE       MET  27  -5.236  -3.907  -5.917
  240   2HE   MET  27          2HE       MET  27  -3.891  -2.771  -6.012
  241   3HE   MET  27          3HE       MET  27  -4.667  -3.095  -4.461
  242    H    LYS  28           H        LYS  28  -9.909  -0.324  -1.195
  243    HA   LYS  28           HA       LYS  28 -11.470   1.652  -2.608
  244   1HB   LYS  28          2HB       LYS  28 -11.982  -0.452  -0.596
  245   2HB   LYS  28          1HB       LYS  28 -13.016   0.965  -0.480
  246   1HG   LYS  28          2HG       LYS  28 -13.876  -0.953  -1.877
  247   2HG   LYS  28          1HG       LYS  28 -13.894   0.639  -2.633
  248   1HD   LYS  28          2HD       LYS  28 -12.372   0.058  -4.194
  249   2HD   LYS  28          1HD       LYS  28 -11.435  -0.917  -3.062
  250   1HE   LYS  28          2HE       LYS  28 -12.294  -2.744  -3.984
  251   2HE   LYS  28          1HE       LYS  28 -13.888  -2.246  -3.417
  252   1HZ   LYS  28          1HZ       LYS  28 -14.395  -2.219  -5.580
  253   2HZ   LYS  28          2HZ       LYS  28 -12.774  -2.168  -6.076
  254   3HZ   LYS  28          3HZ       LYS  28 -13.566  -0.738  -5.626
  255    H    LYS  29           H        LYS  29  -9.700   1.394   0.375
  256    HA   LYS  29           HA       LYS  29 -10.653   3.984   1.328
  257   1HB   LYS  29          2HB       LYS  29 -10.389   2.386   3.077
  258   2HB   LYS  29          1HB       LYS  29  -8.808   1.897   2.487
  259   1HG   LYS  29          2HG       LYS  29  -8.861   4.711   3.139
  260   2HG   LYS  29          1HG       LYS  29  -9.355   3.713   4.508
  261   1HD   LYS  29          2HD       LYS  29  -7.319   2.375   4.271
  262   2HD   LYS  29          1HD       LYS  29  -6.824   3.366   2.897
  263   1HE   LYS  29          2HE       LYS  29  -7.486   4.891   5.306
  264   2HE   LYS  29          1HE       LYS  29  -6.113   3.800   5.495
  265   1HZ   LYS  29          1HZ       LYS  29  -6.403   5.867   3.375
  266   2HZ   LYS  29          2HZ       LYS  29  -5.082   4.818   3.558
  267   3HZ   LYS  29          3HZ       LYS  29  -5.409   5.982   4.745
  268    H    CYS  30           H        CYS  30  -7.905   2.424  -0.096
  269    HA   CYS  30           HA       CYS  30  -5.967   4.429   0.140
  270   1HB   CYS  30          2HB       CYS  30  -5.799   1.976  -0.713
  271   2HB   CYS  30          1HB       CYS  30  -6.220   2.655  -2.281
  272    H    GLY  31           H        GLY  31  -8.501   3.878  -2.272
  273   1HA   GLY  31          1HA       GLY  31  -7.751   6.180  -3.851
  274   2HA   GLY  31          2HA       GLY  31  -9.178   5.173  -4.079
  275    H    TRP  32           H        TRP  32  -9.394   5.792  -0.960
  276    HA   TRP  32           HA       TRP  32 -11.191   8.053  -1.365
  277   1HB   TRP  32          2HB       TRP  32 -11.060   5.806   0.462
  278   2HB   TRP  32          1HB       TRP  32 -11.273   7.329   1.327
  279    HD1  TRP  32           HD       TRP  32 -12.877   5.568  -1.739
  280    HE1  TRP  32           1HE      TRP  32 -15.398   6.088  -1.722
  281    HE3  TRP  32           3HE      TRP  32 -13.040   8.589   2.380
  282    HZ2  TRP  32           2HZ      TRP  32 -17.193   7.592  -0.173
  283    HZ3  TRP  32           3HZ      TRP  32 -15.208   9.530   3.065
  284    HH2  TRP  32           HH       TRP  32 -17.244   9.037   1.812
  285    H    PHE  33           H        PHE  33  -9.344   9.485  -1.755
  286    HA   PHE  33           HA       PHE  33  -7.828  10.212   0.637
  287   1HB   PHE  33          2HB       PHE  33  -6.522  11.667  -0.919
  288   2HB   PHE  33          1HB       PHE  33  -6.470   9.959  -1.348
  289    HD1  PHE  33           1HD      PHE  33  -7.426   9.165  -3.385
  290    HD2  PHE  33           2HD      PHE  33  -7.813  13.255  -2.275
  291    HE1  PHE  33           1HE      PHE  33  -8.184   9.709  -5.661
  292    HE2  PHE  33           2HE      PHE  33  -8.570  13.805  -4.549
  293    HZ   PHE  33           HZ       PHE  33  -8.761  12.030  -6.245
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  15.852  -9.103   9.700
    2   2H    GLY   1          2H        GLY   1  14.671  -8.499   8.643
    3   3H    GLY   1          3H        GLY   1  16.302  -8.500   8.182
    4   1HA   GLY   1          2HA       GLY   1  16.210 -11.012   8.457
    5   2HA   GLY   1          1HA       GLY   1  14.464 -10.795   8.448
    6    H    SER   2           H        SER   2  17.149 -11.354   6.555
    7    HA   SER   2           HA       SER   2  16.498  -9.943   4.203
    8   1HB   SER   2          2HB       SER   2  17.872 -12.389   3.603
    9   2HB   SER   2          1HB       SER   2  18.505 -10.743   3.613
   10    HG   SER   2           HG       SER   2  19.628 -11.441   5.251
   11    H    ARG   3           H        ARG   3  15.650 -13.172   5.365
   12    HA   ARG   3           HA       ARG   3  14.117 -13.696   2.936
   13   1HB   ARG   3          2HB       ARG   3  15.610 -15.424   4.100
   14   2HB   ARG   3          1HB       ARG   3  14.370 -15.499   5.343
   15   1HG   ARG   3          2HG       ARG   3  13.955 -17.297   3.884
   16   2HG   ARG   3          1HG       ARG   3  12.735 -16.075   3.514
   17   1HD   ARG   3          2HD       ARG   3  14.291 -15.278   1.682
   18   2HD   ARG   3          1HD       ARG   3  15.215 -16.755   1.954
   19    HE   ARG   3           HE       ARG   3  12.561 -17.503   1.595
   20   1HH1  ARG   3          2HH1      ARG   3  15.088 -15.937  -0.250
   21   2HH1  ARG   3          1HH1      ARG   3  14.548 -16.562  -1.782
   22   1HH2  ARG   3          2HH2      ARG   3  11.808 -18.302  -0.413
   23   2HH2  ARG   3          1HH2      ARG   3  12.664 -17.899  -1.874
   24    H    LEU   4           H        LEU   4  12.714 -11.822   3.559
   25    HA   LEU   4           HA       LEU   4  10.808 -12.449   5.696
   26   1HB   LEU   4          2HB       LEU   4  11.975 -10.066   4.806
   27   2HB   LEU   4          1HB       LEU   4  10.311  -9.981   4.262
   28    HG   LEU   4           HG       LEU   4   9.527 -10.324   6.562
   29   1HD1  LEU   4          1HD1      LEU   4  12.471 -10.407   7.191
   30   2HD1  LEU   4          2HD1      LEU   4  11.212 -10.161   8.399
   31   3HD1  LEU   4          3HD1      LEU   4  11.269 -11.665   7.480
   32   1HD2  LEU   4          1HD2      LEU   4  10.177  -8.045   5.556
   33   2HD2  LEU   4          2HD2      LEU   4   9.924  -8.153   7.297
   34   3HD2  LEU   4          3HD2      LEU   4  11.563  -8.127   6.643
   35    HA   PRO   5           HA       PRO   5   7.717 -13.958   2.939
   36   1HB   PRO   5          2HB       PRO   5   5.472 -12.877   4.135
   37   2HB   PRO   5          1HB       PRO   5   6.269 -14.367   4.646
   38   1HG   PRO   5          2HG       PRO   5   6.499 -11.611   5.770
   39   2HG   PRO   5          1HG       PRO   5   6.446 -13.170   6.615
   40   1HD   PRO   5          2HD       PRO   5   8.752 -11.833   6.259
   41   2HD   PRO   5          1HD       PRO   5   8.683 -13.607   6.209
   42    H    LYS   6           H        LYS   6   6.854 -13.294   1.063
   43    HA   LYS   6           HA       LYS   6   6.732 -10.398   0.596
   44   1HB   LYS   6          2HB       LYS   6   7.357 -12.754  -1.092
   45   2HB   LYS   6          1HB       LYS   6   6.497 -11.434  -1.874
   46   1HG   LYS   6          2HG       LYS   6   8.400 -10.013  -0.679
   47   2HG   LYS   6          1HG       LYS   6   9.262 -11.546  -0.829
   48   1HD   LYS   6          2HD       LYS   6   9.801 -10.749  -2.865
   49   2HD   LYS   6          1HD       LYS   6   8.196 -11.333  -3.302
   50   1HE   LYS   6          2HE       LYS   6   7.691  -8.835  -2.269
   51   2HE   LYS   6          1HE       LYS   6   9.214  -8.611  -3.126
   52   1HZ   LYS   6          1HZ       LYS   6   8.055  -9.792  -5.041
   53   2HZ   LYS   6          2HZ       LYS   6   7.578  -8.198  -4.706
   54   3HZ   LYS   6          3HZ       LYS   6   6.608  -9.494  -4.203
   55    H    LEU   7           H        LEU   7   4.779  -9.718   1.120
   56    HA   LEU   7           HA       LEU   7   2.417 -11.302   0.590
   57   1HB   LEU   7          2HB       LEU   7   2.973  -8.707   1.979
   58   2HB   LEU   7          1HB       LEU   7   1.338  -9.112   1.526
   59    HG   LEU   7           HG       LEU   7   1.557  -9.732   3.783
   60   1HD1  LEU   7          1HD1      LEU   7   1.956 -12.254   2.177
   61   2HD1  LEU   7          2HD1      LEU   7   1.207 -12.129   3.768
   62   3HD1  LEU   7          3HD1      LEU   7   0.427 -11.396   2.365
   63   1HD2  LEU   7          1HD2      LEU   7   4.268 -10.451   2.990
   64   2HD2  LEU   7          2HD2      LEU   7   3.638  -9.948   4.557
   65   3HD2  LEU   7          3HD2      LEU   7   3.515 -11.635   4.058
   66    H    TYR   8           H        TYR   8   0.729  -8.961   0.177
   67    HA   TYR   8           HA       TYR   8   1.263  -8.521  -2.676
   68   1HB   TYR   8          2HB       TYR   8  -1.292  -7.875  -1.191
   69   2HB   TYR   8          1HB       TYR   8  -1.063  -8.033  -2.932
   70    HD1  TYR   8           1HD      TYR   8  -1.362 -10.113  -4.000
   71    HD2  TYR   8           2HD      TYR   8  -1.103  -9.958   0.242
   72    HE1  TYR   8           1HE      TYR   8  -2.043 -12.472  -3.874
   73    HE2  TYR   8           2HE      TYR   8  -1.771 -12.316   0.379
   74    HH   TYR   8           HH       TYR   8  -2.941 -14.061  -2.385
   75    H    LEU   9           H        LEU   9   1.541  -6.450  -3.460
   76    HA   LEU   9           HA       LEU   9   1.981  -4.424  -1.381
   77   1HB   LEU   9          2HB       LEU   9   3.652  -5.355  -3.315
   78   2HB   LEU   9          1HB       LEU   9   2.999  -3.937  -4.098
   79    HG   LEU   9           HG       LEU   9   4.297  -3.878  -1.382
   80   1HD1  LEU   9          1HD1      LEU   9   5.835  -2.585  -3.401
   81   2HD1  LEU   9          2HD1      LEU   9   6.292  -3.926  -2.347
   82   3HD1  LEU   9          3HD1      LEU   9   5.522  -4.249  -3.901
   83   1HD2  LEU   9          1HD2      LEU   9   4.521  -1.425  -2.624
   84   2HD2  LEU   9          2HD2      LEU   9   2.883  -1.958  -3.002
   85   3HD2  LEU   9          3HD2      LEU   9   3.409  -1.854  -1.323
   86    H    CYS  10           H        CYS  10   0.571  -2.825  -1.185
   87    HA   CYS  10           HA       CYS  10  -1.525  -2.300  -2.981
   88   1HB   CYS  10          2HB       CYS  10  -2.243  -1.219  -1.160
   89   2HB   CYS  10          1HB       CYS  10  -0.699  -1.495  -0.391
   90    H    GLU  11           H        GLU  11   1.615  -0.872  -2.474
   91    HA   GLU  11           HA       GLU  11   3.032   0.275  -3.783
   92   1HB   GLU  11          2HB       GLU  11   0.970  -0.321  -5.885
   93   2HB   GLU  11          1HB       GLU  11   2.451   0.564  -6.232
   94   1HG   GLU  11          2HG       GLU  11   3.742  -1.368  -5.359
   95   2HG   GLU  11          1HG       GLU  11   2.226  -2.250  -5.187
   96    H    PHE  12           H        PHE  12   0.063   1.419  -2.909
   97    HA   PHE  12           HA       PHE  12   0.646   4.121  -3.929
   98   1HB   PHE  12          2HB       PHE  12  -1.808   3.033  -2.525
   99   2HB   PHE  12          1HB       PHE  12  -1.602   4.707  -3.028
  100    HD1  PHE  12           1HD      PHE  12  -3.390   1.982  -3.836
  101    HD2  PHE  12           2HD      PHE  12  -0.583   4.620  -5.665
  102    HE1  PHE  12           1HE      PHE  12  -4.312   1.439  -6.047
  103    HE2  PHE  12           2HE      PHE  12  -1.509   4.073  -7.874
  104    HZ   PHE  12           HZ       PHE  12  -3.374   2.481  -8.068
  105    H    CYS  13           H        CYS  13  -0.063   2.319  -0.994
  106    HA   CYS  13           HA       CYS  13   1.295   4.329   0.667
  107   1HB   CYS  13          2HB       CYS  13   0.179   1.713   1.659
  108   2HB   CYS  13          1HB       CYS  13   0.480   3.188   2.566
  109    H    LEU  14           H        LEU  14   1.619   1.442  -1.051
  110    HA   LEU  14           HA       LEU  14   3.293  -0.029  -1.407
  111   1HB   LEU  14          2HB       LEU  14   4.901   2.029   0.095
  112   2HB   LEU  14          1HB       LEU  14   5.604   0.548  -0.525
  113    HG   LEU  14           HG       LEU  14   4.096   2.162  -2.483
  114   1HD1  LEU  14          1HD1      LEU  14   6.740   3.220  -2.365
  115   2HD1  LEU  14          2HD1      LEU  14   5.199   4.069  -2.262
  116   3HD1  LEU  14          3HD1      LEU  14   5.960   3.447  -0.799
  117   1HD2  LEU  14          1HD2      LEU  14   5.325   0.065  -2.998
  118   2HD2  LEU  14          2HD2      LEU  14   5.843   1.454  -3.952
  119   3HD2  LEU  14          3HD2      LEU  14   6.827   0.899  -2.597
  120    H    LYS  15           H        LYS  15   1.468  -0.463   0.564
  121    HA   LYS  15           HA       LYS  15   2.988  -1.640   2.780
  122   1HB   LYS  15          2HB       LYS  15   0.515  -0.202   2.641
  123   2HB   LYS  15          1HB       LYS  15   0.188  -1.825   3.232
  124   1HG   LYS  15          2HG       LYS  15   0.605  -0.187   5.029
  125   2HG   LYS  15          1HG       LYS  15   1.738  -1.540   5.042
  126   1HD   LYS  15          2HD       LYS  15   3.256   0.119   5.253
  127   2HD   LYS  15          1HD       LYS  15   3.104   0.170   3.497
  128   1HE   LYS  15          2HE       LYS  15   1.443   1.954   3.692
  129   2HE   LYS  15          1HE       LYS  15   1.580   1.894   5.448
  130   1HZ   LYS  15          1HZ       LYS  15   3.138   3.366   3.648
  131   2HZ   LYS  15          2HZ       LYS  15   4.149   2.211   4.367
  132   3HZ   LYS  15          3HZ       LYS  15   3.276   3.290   5.338
  133    H    TYR  16           H        TYR  16   2.584  -3.770   3.416
  134    HA   TYR  16           HA       TYR  16   1.771  -5.489   1.216
  135   1HB   TYR  16          2HB       TYR  16   3.527  -5.762   3.588
  136   2HB   TYR  16          1HB       TYR  16   2.707  -7.222   3.042
  137    HD1  TYR  16           1HD      TYR  16   3.334  -4.880   0.435
  138    HD2  TYR  16           2HD      TYR  16   5.099  -8.030   2.670
  139    HE1  TYR  16           1HE      TYR  16   5.002  -5.197  -1.350
  140    HE2  TYR  16           2HE      TYR  16   6.783  -8.354   0.905
  141    HH   TYR  16           HH       TYR  16   7.399  -6.134  -1.472
  142    H    MET  17           H        MET  17  -0.291  -5.958   1.156
  143    HA   MET  17           HA       MET  17  -1.927  -6.291   3.508
  144   1HB   MET  17          2HB       MET  17  -2.431  -6.817   0.571
  145   2HB   MET  17          1HB       MET  17  -3.637  -7.066   1.821
  146   1HG   MET  17          2HG       MET  17  -4.165  -4.986   0.998
  147   2HG   MET  17          1HG       MET  17  -3.214  -4.609   2.427
  148   1HE   MET  17          1HE       MET  17  -0.862  -5.503  -1.026
  149   2HE   MET  17          2HE       MET  17  -2.572  -5.927  -0.935
  150   3HE   MET  17          3HE       MET  17  -2.058  -4.543  -1.899
  151    H    LYS  18           H        LYS  18  -2.756  -8.258   4.282
  152    HA   LYS  18           HA       LYS  18  -0.974 -10.475   3.939
  153   1HB   LYS  18          2HB       LYS  18  -2.842  -9.624   5.881
  154   2HB   LYS  18          1HB       LYS  18  -3.366 -11.215   5.344
  155   1HG   LYS  18          2HG       LYS  18  -1.946 -11.935   6.919
  156   2HG   LYS  18          1HG       LYS  18  -0.726 -11.659   5.674
  157   1HD   LYS  18          2HD       LYS  18  -1.292  -9.214   7.077
  158   2HD   LYS  18          1HD       LYS  18  -0.867 -10.491   8.220
  159   1HE   LYS  18          2HE       LYS  18   0.964 -10.804   6.177
  160   2HE   LYS  18          1HE       LYS  18   0.797  -9.053   6.323
  161   1HZ   LYS  18          1HZ       LYS  18   1.491 -10.947   8.500
  162   2HZ   LYS  18          2HZ       LYS  18   1.233  -9.283   8.716
  163   3HZ   LYS  18          3HZ       LYS  18   2.532  -9.826   7.767
  164    H    SER  19           H        SER  19  -3.963  -9.538   2.538
  165    HA   SER  19           HA       SER  19  -3.947 -11.971   0.938
  166   1HB   SER  19          2HB       SER  19  -6.549 -10.962   2.074
  167   2HB   SER  19          1HB       SER  19  -6.216 -12.517   1.311
  168    HG   SER  19           HG       SER  19  -4.950 -13.071   3.127
  169    H    ARG  20           H        ARG  20  -5.196 -11.755  -1.050
  170    HA   ARG  20           HA       ARG  20  -4.982  -9.122  -2.194
  171   1HB   ARG  20          2HB       ARG  20  -4.956 -11.654  -3.232
  172   2HB   ARG  20          1HB       ARG  20  -6.579 -11.122  -3.646
  173   1HG   ARG  20          2HG       ARG  20  -5.491  -9.044  -4.611
  174   2HG   ARG  20          1HG       ARG  20  -3.959  -9.907  -4.458
  175   1HD   ARG  20          2HD       ARG  20  -4.398 -10.741  -6.483
  176   2HD   ARG  20          1HD       ARG  20  -5.593 -11.754  -5.675
  177    HE   ARG  20           HE       ARG  20  -7.204  -9.889  -6.167
  178   1HH1  ARG  20          2HH1      ARG  20  -4.414 -10.547  -8.188
  179   2HH1  ARG  20          1HH1      ARG  20  -5.102  -9.796  -9.601
  180   1HH2  ARG  20          2HH2      ARG  20  -8.115  -8.926  -8.025
  181   2HH2  ARG  20          1HH2      ARG  20  -7.202  -8.859  -9.501
  182    H    THR  21           H        THR  21  -7.455 -11.137  -0.823
  183    HA   THR  21           HA       THR  21  -9.748  -9.671  -1.575
  184    HB   THR  21           HB       THR  21 -10.356 -10.740   0.872
  185    HG1  THR  21           1HG      THR  21  -9.091 -12.517   1.206
  186   1HG2  THR  21          1HG2      THR  21 -10.183 -12.467  -1.580
  187   2HG2  THR  21          2HG2      THR  21 -11.332 -11.134  -1.478
  188   3HG2  THR  21          3HG2      THR  21 -11.417 -12.463  -0.319
  189    H    ILE  22           H        ILE  22  -7.375  -9.344   0.984
  190    HA   ILE  22           HA       ILE  22  -8.741  -7.350   2.489
  191    HB   ILE  22           HB       ILE  22  -5.927  -8.378   2.397
  192   1HG1  ILE  22          2HG1      ILE  22  -7.801  -8.045   4.739
  193   1HG2  ILE  22          1HG2      ILE  22  -4.977  -6.627   3.395
  194   2HG2  ILE  22          2HG2      ILE  22  -6.378  -5.705   2.848
  195   3HG2  ILE  22          3HG2      ILE  22  -6.351  -6.389   4.475
  196   1HD1  ILE  22          1HD1      ILE  22  -5.399  -9.778   4.262
  197   2HD1  ILE  22          2HD1      ILE  22  -5.621  -8.550   5.507
  198   3HD1  ILE  22          3HD1      ILE  22  -6.550 -10.047   5.570
  199    H    LEU  23           H        LEU  23  -6.361  -7.313  -0.126
  200    HA   LEU  23           HA       LEU  23  -5.886  -4.549  -0.192
  201   1HB   LEU  23          2HB       LEU  23  -4.433  -6.040  -1.373
  202   2HB   LEU  23          1HB       LEU  23  -5.758  -6.649  -2.347
  203    HG   LEU  23           HG       LEU  23  -5.939  -4.493  -3.488
  204   1HD1  LEU  23          1HD1      LEU  23  -3.970  -3.677  -1.417
  205   2HD1  LEU  23          2HD1      LEU  23  -3.815  -2.974  -3.028
  206   3HD1  LEU  23          3HD1      LEU  23  -5.316  -2.781  -2.124
  207   1HD2  LEU  23          1HD2      LEU  23  -4.533  -5.494  -4.887
  208   2HD2  LEU  23          2HD2      LEU  23  -3.229  -4.611  -4.098
  209   3HD2  LEU  23          3HD2      LEU  23  -3.638  -6.242  -3.564
  210    H    GLN  24           H        GLN  24  -8.449  -6.513  -1.545
  211    HA   GLN  24           HA       GLN  24  -9.582  -4.658  -3.303
  212   1HB   GLN  24          2HB       GLN  24 -10.835  -6.863  -1.666
  213   2HB   GLN  24          1HB       GLN  24 -11.735  -5.916  -2.844
  214   1HG   GLN  24          2HG       GLN  24  -9.541  -7.893  -3.292
  215   2HG   GLN  24          1HG       GLN  24 -11.148  -7.824  -4.015
  216   1HE2  GLN  24          1HE2      GLN  24  -8.074  -7.586  -4.781
  217   2HE2  GLN  24          2HE2      GLN  24  -8.124  -6.410  -6.058
  218    H    GLN  25           H        GLN  25  -9.975  -5.100   0.172
  219    HA   GLN  25           HA       GLN  25 -11.926  -2.983   0.404
  220   1HB   GLN  25          2HB       GLN  25 -10.394  -4.046   2.748
  221   2HB   GLN  25          1HB       GLN  25 -12.064  -3.509   2.664
  222   1HG   GLN  25          2HG       GLN  25 -10.932  -6.096   1.631
  223   2HG   GLN  25          1HG       GLN  25 -12.029  -5.872   2.993
  224   1HE2  GLN  25          1HE2      GLN  25 -12.245  -7.424   0.474
  225   2HE2  GLN  25          2HE2      GLN  25 -13.738  -6.906  -0.243
  226    H    HIS  26           H        HIS  26  -8.482  -3.439   0.911
  227    HA   HIS  26           HA       HIS  26  -7.870  -1.053   2.211
  228   1HB   HIS  26          2HB       HIS  26  -6.218  -2.821   2.018
  229   2HB   HIS  26          1HB       HIS  26  -6.204  -2.673   0.263
  230    HD1  HIS  26           1HD      HIS  26  -4.752  -1.185   3.364
  231    HD2  HIS  26           2HD      HIS  26  -4.865  -0.376  -0.733
  232    HE1  HIS  26           1HE      HIS  26  -3.046   0.652   2.930
  233    H    MET  27           H        MET  27  -8.097  -1.762  -1.250
  234    HA   MET  27           HA       MET  27  -7.165   0.781  -2.081
  235   1HB   MET  27          2HB       MET  27  -8.385  -1.574  -3.386
  236   2HB   MET  27          1HB       MET  27  -8.447  -0.056  -4.268
  237   1HG   MET  27          2HG       MET  27  -5.843  -0.158  -3.397
  238   2HG   MET  27          1HG       MET  27  -6.204  -1.844  -3.762
  239   1HE   MET  27          1HE       MET  27  -4.581  -1.470  -7.097
  240   2HE   MET  27          2HE       MET  27  -3.917  -0.915  -5.559
  241   3HE   MET  27          3HE       MET  27  -4.851  -2.410  -5.629
  242    H    LYS  28           H        LYS  28 -10.044  -0.059  -0.680
  243    HA   LYS  28           HA       LYS  28 -11.722   1.880  -2.008
  244   1HB   LYS  28          2HB       LYS  28 -11.977   0.027   0.259
  245   2HB   LYS  28          1HB       LYS  28 -12.811   1.559   0.491
  246   1HG   LYS  28          2HG       LYS  28 -14.450   0.291  -0.485
  247   2HG   LYS  28          1HG       LYS  28 -13.748   1.086  -1.896
  248   1HD   LYS  28          2HD       LYS  28 -12.297  -1.312  -1.329
  249   2HD   LYS  28          1HD       LYS  28 -14.022  -1.675  -1.418
  250   1HE   LYS  28          2HE       LYS  28 -14.096  -0.458  -3.592
  251   2HE   LYS  28          1HE       LYS  28 -12.343  -0.305  -3.508
  252   1HZ   LYS  28          1HZ       LYS  28 -12.924  -2.978  -3.078
  253   2HZ   LYS  28          2HZ       LYS  28 -12.203  -2.288  -4.451
  254   3HZ   LYS  28          3HZ       LYS  28 -13.886  -2.497  -4.387
  255    H    LYS  29           H        LYS  29  -9.804   1.682   0.945
  256    HA   LYS  29           HA       LYS  29 -10.144   4.461   1.622
  257   1HB   LYS  29          2HB       LYS  29  -9.699   2.677   3.319
  258   2HB   LYS  29          1HB       LYS  29  -8.090   2.488   2.636
  259   1HG   LYS  29          2HG       LYS  29  -8.238   5.185   3.131
  260   2HG   LYS  29          1HG       LYS  29  -9.114   4.476   4.489
  261   1HD   LYS  29          2HD       LYS  29  -7.256   3.501   5.344
  262   2HD   LYS  29          1HD       LYS  29  -6.580   3.158   3.749
  263   1HE   LYS  29          2HE       LYS  29  -5.280   4.816   5.085
  264   2HE   LYS  29          1HE       LYS  29  -5.814   5.406   3.512
  265   1HZ   LYS  29          1HZ       LYS  29  -6.112   6.804   5.713
  266   2HZ   LYS  29          2HZ       LYS  29  -7.558   5.920   5.803
  267   3HZ   LYS  29          3HZ       LYS  29  -7.231   6.885   4.442
  268    H    CYS  30           H        CYS  30  -7.916   2.450  -0.096
  269    HA   CYS  30           HA       CYS  30  -6.040   4.599  -0.656
  270   1HB   CYS  30          2HB       CYS  30  -5.693   1.927  -0.434
  271   2HB   CYS  30          1HB       CYS  30  -5.939   2.043  -2.173
  272    H    GLY  31           H        GLY  31  -8.733   5.020  -1.385
  273   1HA   GLY  31          1HA       GLY  31  -8.464   5.853  -4.097
  274   2HA   GLY  31          2HA       GLY  31  -9.509   4.437  -3.958
  275    H    TRP  32           H        TRP  32  -8.989   7.464  -2.191
  276    HA   TRP  32           HA       TRP  32 -11.731   7.612  -1.390
  277   1HB   TRP  32          2HB       TRP  32  -9.251   8.872  -0.704
  278   2HB   TRP  32          1HB       TRP  32 -10.468  10.111  -1.002
  279    HD1  TRP  32           HD       TRP  32  -9.710   7.165   1.325
  280    HE1  TRP  32           1HE      TRP  32 -11.206   7.360   3.413
  281    HE3  TRP  32           3HE      TRP  32 -12.634  11.088  -0.156
  282    HZ2  TRP  32           2HZ      TRP  32 -13.342   8.969   4.296
  283    HZ3  TRP  32           3HZ      TRP  32 -14.383  11.897   1.376
  284    HH2  TRP  32           HH       TRP  32 -14.729  10.857   3.556
  285    H    PHE  33           H        PHE  33  -9.747   9.134  -3.845
  286    HA   PHE  33           HA       PHE  33 -12.175  10.339  -4.974
  287   1HB   PHE  33          2HB       PHE  33  -9.455  11.627  -4.664
  288   2HB   PHE  33          1HB       PHE  33 -10.702  12.250  -5.747
  289    HD1  PHE  33           1HD      PHE  33  -9.489  12.111  -2.368
  290    HD2  PHE  33           2HD      PHE  33 -12.891  12.996  -4.769
  291    HE1  PHE  33           1HE      PHE  33 -10.474  13.374  -0.500
  292    HE2  PHE  33           2HE      PHE  33 -13.883  14.259  -2.906
  293    HZ   PHE  33           HZ       PHE  33 -12.676  14.448  -0.765
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  12.682 -21.660   0.891
    2   2H    GLY   1          2H        GLY   1  12.147 -20.065   1.109
    3   3H    GLY   1          3H        GLY   1  11.047 -21.349   1.218
    4   1HA   GLY   1          2HA       GLY   1  12.236 -22.195   3.169
    5   2HA   GLY   1          1HA       GLY   1  13.283 -20.785   3.081
    6    H    SER   2           H        SER   2  12.285 -20.764   5.379
    7    HA   SER   2           HA       SER   2   9.615 -19.649   5.491
    8   1HB   SER   2          2HB       SER   2  11.568 -19.847   7.781
    9   2HB   SER   2          1HB       SER   2   9.804 -19.818   7.845
   10    HG   SER   2           HG       SER   2   9.795 -21.857   6.824
   11    H    ARG   3           H        ARG   3  10.864 -18.001   3.919
   12    HA   ARG   3           HA       ARG   3  11.462 -15.655   5.593
   13   1HB   ARG   3          2HB       ARG   3  13.039 -16.771   3.533
   14   2HB   ARG   3          1HB       ARG   3  12.329 -15.307   2.865
   15   1HG   ARG   3          2HG       ARG   3  13.142 -14.329   5.203
   16   2HG   ARG   3          1HG       ARG   3  14.303 -15.646   5.042
   17   1HD   ARG   3          2HD       ARG   3  14.462 -13.111   3.893
   18   2HD   ARG   3          1HD       ARG   3  15.485 -14.503   3.546
   19    HE   ARG   3           HE       ARG   3  13.015 -13.906   2.037
   20   1HH1  ARG   3          2HH1      ARG   3  16.389 -14.848   2.156
   21   2HH1  ARG   3          1HH1      ARG   3  16.484 -15.170   0.446
   22   1HH2  ARG   3          2HH2      ARG   3  13.142 -14.318  -0.189
   23   2HH2  ARG   3          1HH2      ARG   3  14.654 -14.809  -0.901
   24    H    LEU   4           H        LEU   4  10.320 -13.796   5.127
   25    HA   LEU   4           HA       LEU   4   7.812 -14.176   3.833
   26   1HB   LEU   4          2HB       LEU   4   8.983 -12.297   5.617
   27   2HB   LEU   4          1HB       LEU   4   8.338 -11.409   4.251
   28    HG   LEU   4           HG       LEU   4   6.427 -13.368   5.176
   29   1HD1  LEU   4          1HD1      LEU   4   7.527 -13.101   7.330
   30   2HD1  LEU   4          2HD1      LEU   4   7.384 -11.348   7.201
   31   3HD1  LEU   4          3HD1      LEU   4   5.934 -12.343   7.342
   32   1HD2  LEU   4          1HD2      LEU   4   6.556 -10.676   4.201
   33   2HD2  LEU   4          2HD2      LEU   4   5.182 -11.781   4.254
   34   3HD2  LEU   4          3HD2      LEU   4   5.537 -10.746   5.638
   35    HA   PRO   5           HA       PRO   5   9.360 -12.885  -0.149
   36   1HB   PRO   5          2HB       PRO   5   6.994 -13.861  -1.372
   37   2HB   PRO   5          1HB       PRO   5   8.532 -14.707  -1.216
   38   1HG   PRO   5          2HG       PRO   5   6.139 -15.426   0.030
   39   2HG   PRO   5          1HG       PRO   5   7.754 -16.006   0.471
   40   1HD   PRO   5          2HD       PRO   5   6.100 -13.856   1.719
   41   2HD   PRO   5          1HD       PRO   5   7.211 -15.017   2.479
   42    H    LYS   6           H        LYS   6   7.370 -12.273  -2.134
   43    HA   LYS   6           HA       LYS   6   6.657  -9.590  -1.307
   44   1HB   LYS   6          2HB       LYS   6   5.997  -9.224  -3.589
   45   2HB   LYS   6          1HB       LYS   6   7.531 -10.077  -3.598
   46   1HG   LYS   6          2HG       LYS   6   6.642 -11.569  -4.965
   47   2HG   LYS   6          1HG       LYS   6   5.550 -12.059  -3.667
   48   1HD   LYS   6          2HD       LYS   6   3.805 -10.827  -4.484
   49   2HD   LYS   6          1HD       LYS   6   4.861  -9.634  -5.243
   50   1HE   LYS   6          2HE       LYS   6   4.783 -10.702  -7.187
   51   2HE   LYS   6          1HE       LYS   6   5.245 -12.226  -6.427
   52   1HZ   LYS   6          1HZ       LYS   6   3.183 -12.953  -6.647
   53   2HZ   LYS   6          2HZ       LYS   6   2.769 -11.526  -7.470
   54   3HZ   LYS   6          3HZ       LYS   6   2.569 -11.627  -5.787
   55    H    LEU   7           H        LEU   7   4.452  -8.799  -1.473
   56    HA   LEU   7           HA       LEU   7   2.433 -10.894  -1.050
   57   1HB   LEU   7          2HB       LEU   7   3.340  -8.776   0.753
   58   2HB   LEU   7          1HB       LEU   7   1.607  -8.798   0.537
   59    HG   LEU   7           HG       LEU   7   1.924 -10.105   2.422
   60   1HD1  LEU   7          1HD1      LEU   7   1.139 -11.404   0.049
   61   2HD1  LEU   7          2HD1      LEU   7   2.112 -12.555   0.964
   62   3HD1  LEU   7          3HD1      LEU   7   0.697 -11.808   1.707
   63   1HD2  LEU   7          1HD2      LEU   7   3.741 -12.090   2.048
   64   2HD2  LEU   7          2HD2      LEU   7   4.481 -10.764   1.151
   65   3HD2  LEU   7          3HD2      LEU   7   4.075 -10.557   2.855
   66    H    TYR   8           H        TYR   8   0.290  -9.278  -0.596
   67    HA   TYR   8           HA       TYR   8  -0.169  -8.049  -3.193
   68   1HB   TYR   8          2HB       TYR   8  -2.168  -8.136  -0.940
   69   2HB   TYR   8          1HB       TYR   8  -2.464  -8.126  -2.681
   70    HD1  TYR   8           1HD      TYR   8  -2.502 -10.165  -3.935
   71    HD2  TYR   8           2HD      TYR   8  -1.391 -10.209   0.169
   72    HE1  TYR   8           1HE      TYR   8  -2.647 -12.620  -3.925
   73    HE2  TYR   8           2HE      TYR   8  -1.520 -12.656   0.188
   74    HH   TYR   8           HH       TYR   8  -2.984 -14.446  -2.301
   75    H    LEU   9           H        LEU   9   1.019  -6.243  -3.170
   76    HA   LEU   9           HA       LEU   9   1.101  -4.591  -0.814
   77   1HB   LEU   9          2HB       LEU   9   3.187  -4.988  -1.731
   78   2HB   LEU   9          1HB       LEU   9   2.617  -4.809  -3.375
   79    HG   LEU   9           HG       LEU   9   2.321  -2.283  -2.126
   80   1HD1  LEU   9          1HD1      LEU   9   3.967  -3.245  -0.481
   81   2HD1  LEU   9          2HD1      LEU   9   5.112  -3.359  -1.816
   82   3HD1  LEU   9          3HD1      LEU   9   4.494  -1.784  -1.317
   83   1HD2  LEU   9          1HD2      LEU   9   2.734  -2.734  -4.504
   84   2HD2  LEU   9          2HD2      LEU   9   3.913  -1.605  -3.835
   85   3HD2  LEU   9          3HD2      LEU   9   4.361  -3.290  -4.104
   86    H    CYS  10           H        CYS  10   0.291  -2.577  -0.557
   87    HA   CYS  10           HA       CYS  10  -1.490  -1.482  -2.537
   88   1HB   CYS  10          2HB       CYS  10  -2.153  -1.049  -0.255
   89   2HB   CYS  10          1HB       CYS  10  -0.554  -0.440   0.155
   90    H    GLU  11           H        GLU  11  -0.776  -0.287  -4.120
   91    HA   GLU  11           HA       GLU  11   1.978   0.385  -4.342
   92   1HB   GLU  11          2HB       GLU  11  -0.420   0.605  -6.065
   93   2HB   GLU  11          1HB       GLU  11   0.909   1.702  -6.418
   94   1HG   GLU  11          2HG       GLU  11   2.293   0.038  -7.095
   95   2HG   GLU  11          1HG       GLU  11   1.563  -1.157  -6.022
   96    H    PHE  12           H        PHE  12  -0.462   1.880  -2.692
   97    HA   PHE  12           HA       PHE  12   0.617   4.574  -3.168
   98   1HB   PHE  12          2HB       PHE  12  -1.821   4.081  -1.504
   99   2HB   PHE  12          1HB       PHE  12  -1.413   5.476  -2.497
  100    HD1  PHE  12           1HD      PHE  12  -3.656   2.924  -2.237
  101    HD2  PHE  12           2HD      PHE  12  -1.049   4.661  -5.118
  102    HE1  PHE  12           1HE      PHE  12  -5.059   2.028  -4.045
  103    HE2  PHE  12           2HE      PHE  12  -2.453   3.766  -6.930
  104    HZ   PHE  12           HZ       PHE  12  -4.460   2.446  -6.394
  105    H    CYS  13           H        CYS  13   0.122   2.120  -0.726
  106    HA   CYS  13           HA       CYS  13   1.351   3.825   1.324
  107   1HB   CYS  13          2HB       CYS  13   0.046   1.102   1.463
  108   2HB   CYS  13          1HB       CYS  13   0.830   1.880   2.831
  109    H    LEU  14           H        LEU  14   1.877   1.119  -0.724
  110    HA   LEU  14           HA       LEU  14   3.565  -0.276  -1.128
  111   1HB   LEU  14          2HB       LEU  14   5.070   2.008   0.085
  112   2HB   LEU  14          1HB       LEU  14   5.900   0.500  -0.262
  113    HG   LEU  14           HG       LEU  14   4.270   1.690  -2.441
  114   1HD1  LEU  14          1HD1      LEU  14   5.279   3.676  -2.205
  115   2HD1  LEU  14          2HD1      LEU  14   6.559   3.024  -1.179
  116   3HD1  LEU  14          3HD1      LEU  14   6.660   2.850  -2.931
  117   1HD2  LEU  14          1HD2      LEU  14   5.414   0.241  -3.675
  118   2HD2  LEU  14          2HD2      LEU  14   6.957   0.813  -3.042
  119   3HD2  LEU  14          3HD2      LEU  14   6.046  -0.420  -2.169
  120    H    LYS  15           H        LYS  15   1.947  -0.963   0.819
  121    HA   LYS  15           HA       LYS  15   3.692  -2.150   2.873
  122   1HB   LYS  15          2HB       LYS  15   1.554  -0.450   3.304
  123   2HB   LYS  15          1HB       LYS  15   0.842  -2.040   3.528
  124   1HG   LYS  15          2HG       LYS  15   1.567  -1.280   5.649
  125   2HG   LYS  15          1HG       LYS  15   2.687  -2.545   5.141
  126   1HD   LYS  15          2HD       LYS  15   4.422  -1.090   4.880
  127   2HD   LYS  15          1HD       LYS  15   3.369   0.256   4.438
  128   1HE   LYS  15          2HE       LYS  15   2.939  -0.646   7.166
  129   2HE   LYS  15          1HE       LYS  15   4.601  -0.128   6.881
  130   1HZ   LYS  15          1HZ       LYS  15   2.151   1.469   6.340
  131   2HZ   LYS  15          2HZ       LYS  15   3.733   1.966   5.995
  132   3HZ   LYS  15          3HZ       LYS  15   3.255   1.722   7.603
  133    H    TYR  16           H        TYR  16   3.568  -4.323   3.152
  134    HA   TYR  16           HA       TYR  16   2.281  -5.832   1.073
  135   1HB   TYR  16          2HB       TYR  16   4.171  -6.445   3.310
  136   2HB   TYR  16          1HB       TYR  16   3.328  -7.766   2.514
  137    HD1  TYR  16           1HD      TYR  16   6.007  -8.154   2.277
  138    HD2  TYR  16           2HD      TYR  16   3.684  -5.358   0.081
  139    HE1  TYR  16           1HE      TYR  16   7.703  -8.158   0.495
  140    HE2  TYR  16           2HE      TYR  16   5.366  -5.353  -1.717
  141    HH   TYR  16           HH       TYR  16   8.210  -6.027  -1.555
  142    H    MET  17           H        MET  17   0.141  -6.114   1.258
  143    HA   MET  17           HA       MET  17  -1.080  -6.749   3.822
  144   1HB   MET  17          2HB       MET  17  -2.342  -6.623   1.090
  145   2HB   MET  17          1HB       MET  17  -3.196  -6.737   2.615
  146   1HG   MET  17          2HG       MET  17  -1.674  -4.531   3.023
  147   2HG   MET  17          1HG       MET  17  -1.988  -4.426   1.294
  148   1HE   MET  17          1HE       MET  17  -4.364  -2.551   4.274
  149   2HE   MET  17          2HE       MET  17  -3.894  -4.110   4.951
  150   3HE   MET  17          3HE       MET  17  -2.678  -3.062   4.225
  151    H    LYS  18           H        LYS  18  -2.005  -8.725   4.325
  152    HA   LYS  18           HA       LYS  18  -0.539 -10.913   3.160
  153   1HB   LYS  18          2HB       LYS  18  -1.855 -10.348   5.673
  154   2HB   LYS  18          1HB       LYS  18  -2.258 -11.960   5.097
  155   1HG   LYS  18          2HG       LYS  18  -0.289 -11.905   6.589
  156   2HG   LYS  18          1HG       LYS  18   0.059 -12.570   4.992
  157   1HD   LYS  18          2HD       LYS  18   1.855 -11.101   5.625
  158   2HD   LYS  18          1HD       LYS  18   0.940 -10.342   4.321
  159   1HE   LYS  18          2HE       LYS  18   1.369  -8.646   5.914
  160   2HE   LYS  18          1HE       LYS  18  -0.329  -9.081   6.088
  161   1HZ   LYS  18          1HZ       LYS  18   0.325 -10.518   7.968
  162   2HZ   LYS  18          2HZ       LYS  18   0.643  -8.876   8.240
  163   3HZ   LYS  18          3HZ       LYS  18   1.909  -9.930   7.841
  164    H    SER  19           H        SER  19  -3.835  -9.812   3.055
  165    HA   SER  19           HA       SER  19  -4.495 -12.158   1.400
  166   1HB   SER  19          2HB       SER  19  -6.596 -10.731   3.003
  167   2HB   SER  19          1HB       SER  19  -6.590 -12.391   2.404
  168    HG   SER  19           HG       SER  19  -5.133 -12.954   3.989
  169    H    ARG  20           H        ARG  20  -5.579 -11.758  -0.509
  170    HA   ARG  20           HA       ARG  20  -5.309  -9.131  -1.530
  171   1HB   ARG  20          2HB       ARG  20  -5.457 -11.571  -2.699
  172   2HB   ARG  20          1HB       ARG  20  -7.063 -10.941  -3.050
  173   1HG   ARG  20          2HG       ARG  20  -5.891  -8.846  -3.883
  174   2HG   ARG  20          1HG       ARG  20  -4.402  -9.784  -3.818
  175   1HD   ARG  20          2HD       ARG  20  -5.194 -11.315  -5.447
  176   2HD   ARG  20          1HD       ARG  20  -6.838 -10.685  -5.335
  177    HE   ARG  20           HE       ARG  20  -4.645  -8.978  -6.319
  178   1HH1  ARG  20          2HH1      ARG  20  -7.716 -10.582  -6.835
  179   2HH1  ARG  20          1HH1      ARG  20  -8.095  -9.671  -8.270
  180   1HH2  ARG  20          2HH2      ARG  20  -5.121  -7.809  -8.229
  181   2HH2  ARG  20          1HH2      ARG  20  -6.610  -8.113  -9.070
  182    H    THR  21           H        THR  21  -7.961 -10.793  -0.021
  183    HA   THR  21           HA       THR  21 -10.055  -9.079  -0.916
  184    HB   THR  21           HB       THR  21 -10.937  -9.811   1.518
  185    HG1  THR  21           1HG      THR  21 -10.026 -11.981   1.859
  186   1HG2  THR  21          1HG2      THR  21 -12.101 -11.551   0.460
  187   2HG2  THR  21          2HG2      THR  21 -10.772 -11.885  -0.651
  188   3HG2  THR  21          3HG2      THR  21 -11.740 -10.425  -0.849
  189    H    ILE  22           H        ILE  22  -7.836  -9.065   1.803
  190    HA   ILE  22           HA       ILE  22  -8.772  -6.751   3.120
  191    HB   ILE  22           HB       ILE  22  -6.201  -8.296   3.112
  192   1HG1  ILE  22          2HG1      ILE  22  -7.982  -7.567   5.430
  193   1HG2  ILE  22          1HG2      ILE  22  -5.074  -6.408   3.556
  194   2HG2  ILE  22          2HG2      ILE  22  -6.534  -5.513   3.985
  195   3HG2  ILE  22          3HG2      ILE  22  -5.780  -6.590   5.164
  196   1HD1  ILE  22          1HD1      ILE  22  -6.745  -8.929   6.654
  197   2HD1  ILE  22          2HD1      ILE  22  -6.806 -10.195   5.429
  198   3HD1  ILE  22          3HD1      ILE  22  -5.580  -8.933   5.330
  199    H    LEU  23           H        LEU  23  -6.284  -7.299   0.663
  200    HA   LEU  23           HA       LEU  23  -5.427  -4.616   0.462
  201   1HB   LEU  23          2HB       LEU  23  -4.421  -6.909  -0.390
  202   2HB   LEU  23          1HB       LEU  23  -5.272  -6.480  -1.857
  203    HG   LEU  23           HG       LEU  23  -2.710  -5.616  -0.967
  204   1HD1  LEU  23          1HD1      LEU  23  -4.346  -5.683  -3.356
  205   2HD1  LEU  23          2HD1      LEU  23  -3.286  -4.275  -3.295
  206   3HD1  LEU  23          3HD1      LEU  23  -2.607  -5.898  -3.160
  207   1HD2  LEU  23          1HD2      LEU  23  -3.057  -3.150  -1.484
  208   2HD2  LEU  23          2HD2      LEU  23  -4.762  -3.430  -1.138
  209   3HD2  LEU  23          3HD2      LEU  23  -3.551  -3.708   0.111
  210    H    GLN  24           H        GLN  24  -7.890  -6.495  -1.250
  211    HA   GLN  24           HA       GLN  24  -8.494  -4.593  -3.234
  212   1HB   GLN  24          2HB       GLN  24  -9.535  -7.109  -2.349
  213   2HB   GLN  24          1HB       GLN  24 -10.873  -5.985  -2.548
  214   1HG   GLN  24          2HG       GLN  24 -10.801  -6.730  -4.665
  215   2HG   GLN  24          1HG       GLN  24  -9.554  -5.496  -4.823
  216   1HE2  GLN  24          1HE2      GLN  24 -10.278  -8.842  -4.835
  217   2HE2  GLN  24          2HE2      GLN  24  -8.685  -9.409  -5.211
  218    H    GLN  25           H        GLN  25  -9.975  -5.227  -0.077
  219    HA   GLN  25           HA       GLN  25 -11.864  -3.144  -0.139
  220   1HB   GLN  25          2HB       GLN  25 -10.541  -4.695   2.067
  221   2HB   GLN  25          1HB       GLN  25 -11.605  -3.347   2.441
  222   1HG   GLN  25          2HG       GLN  25 -13.479  -4.422   1.606
  223   2HG   GLN  25          1HG       GLN  25 -12.527  -5.542   0.632
  224   1HE2  GLN  25          1HE2      GLN  25 -12.639  -7.531   1.361
  225   2HE2  GLN  25          2HE2      GLN  25 -12.726  -8.014   3.030
  226    H    HIS  26           H        HIS  26  -8.500  -3.278   0.861
  227    HA   HIS  26           HA       HIS  26  -8.373  -0.695   2.005
  228   1HB   HIS  26          2HB       HIS  26  -6.712  -2.364   2.570
  229   2HB   HIS  26          1HB       HIS  26  -6.206  -2.488   0.889
  230    HD1  HIS  26           1HD      HIS  26  -5.539  -0.611   4.000
  231    HD2  HIS  26           2HD      HIS  26  -4.851  -0.127  -0.085
  232    HE1  HIS  26           1HE      HIS  26  -3.820   1.256   3.763
  233    H    MET  27           H        MET  27  -7.318  -1.910  -1.187
  234    HA   MET  27           HA       MET  27  -6.339   0.557  -2.096
  235   1HB   MET  27          2HB       MET  27  -7.036  -2.040  -3.353
  236   2HB   MET  27          1HB       MET  27  -6.882  -0.652  -4.421
  237   1HG   MET  27          2HG       MET  27  -4.624  -0.255  -3.356
  238   2HG   MET  27          1HG       MET  27  -4.799  -1.851  -2.619
  239   1HE   MET  27          1HE       MET  27  -2.764  -0.927  -6.261
  240   2HE   MET  27          2HE       MET  27  -2.994  -0.143  -4.697
  241   3HE   MET  27          3HE       MET  27  -2.106  -1.663  -4.798
  242    H    LYS  28           H        LYS  28  -9.534  -0.695  -1.947
  243    HA   LYS  28           HA       LYS  28 -10.640   1.147  -3.869
  244   1HB   LYS  28          2HB       LYS  28 -11.640  -1.041  -2.152
  245   2HB   LYS  28          1HB       LYS  28 -12.793   0.244  -2.487
  246   1HG   LYS  28          2HG       LYS  28 -12.743  -1.792  -4.039
  247   2HG   LYS  28          1HG       LYS  28 -12.809  -0.187  -4.766
  248   1HD   LYS  28          2HD       LYS  28 -10.071  -0.900  -4.388
  249   2HD   LYS  28          1HD       LYS  28 -10.896  -2.235  -5.195
  250   1HE   LYS  28          2HE       LYS  28 -11.683  -0.785  -6.937
  251   2HE   LYS  28          1HE       LYS  28 -11.072   0.635  -6.092
  252   1HZ   LYS  28          1HZ       LYS  28  -9.751  -0.730  -8.019
  253   2HZ   LYS  28          2HZ       LYS  28  -9.056  -1.356  -6.604
  254   3HZ   LYS  28          3HZ       LYS  28  -9.030   0.313  -6.894
  255    H    LYS  29           H        LYS  29  -9.589   1.359  -0.720
  256    HA   LYS  29           HA       LYS  29 -11.325   3.654  -0.134
  257   1HB   LYS  29          2HB       LYS  29 -10.931   1.627   1.511
  258   2HB   LYS  29          1HB       LYS  29  -9.452   2.500   1.889
  259   1HG   LYS  29          2HG       LYS  29 -11.848   4.171   1.887
  260   2HG   LYS  29          1HG       LYS  29 -11.869   2.881   3.091
  261   1HD   LYS  29          2HD       LYS  29  -9.581   4.808   2.729
  262   2HD   LYS  29          1HD       LYS  29 -10.894   5.047   3.886
  263   1HE   LYS  29          2HE       LYS  29 -10.243   3.217   5.180
  264   2HE   LYS  29          1HE       LYS  29  -9.292   2.516   3.871
  265   1HZ   LYS  29          1HZ       LYS  29  -7.653   3.391   5.171
  266   2HZ   LYS  29          2HZ       LYS  29  -8.599   4.694   5.709
  267   3HZ   LYS  29          3HZ       LYS  29  -7.938   4.712   4.147
  268    H    CYS  30           H        CYS  30  -8.023   2.534  -0.332
  269    HA   CYS  30           HA       CYS  30  -6.722   4.963   0.278
  270   1HB   CYS  30          2HB       CYS  30  -5.893   2.412  -0.097
  271   2HB   CYS  30          1HB       CYS  30  -5.429   3.112  -1.641
  272    H    GLY  31           H        GLY  31  -7.514   3.405  -2.826
  273   1HA   GLY  31          1HA       GLY  31  -6.745   5.791  -4.295
  274   2HA   GLY  31          2HA       GLY  31  -7.314   4.275  -4.986
  275    H    TRP  32           H        TRP  32  -8.722   6.562  -2.657
  276    HA   TRP  32           HA       TRP  32 -11.332   6.363  -3.812
  277   1HB   TRP  32          2HB       TRP  32 -10.411   7.123  -1.380
  278   2HB   TRP  32          1HB       TRP  32 -10.720   8.699  -2.112
  279    HD1  TRP  32           HD       TRP  32 -12.530   5.513  -0.993
  280    HE1  TRP  32           1HE      TRP  32 -15.055   6.002  -0.897
  281    HE3  TRP  32           3HE      TRP  32 -12.520  10.211  -3.013
  282    HZ2  TRP  32           2HZ      TRP  32 -16.793   8.096  -1.582
  283    HZ3  TRP  32           3HZ      TRP  32 -14.668  11.395  -3.253
  284    HH2  TRP  32           HH       TRP  32 -16.764  10.358  -2.547
  285    H    PHE  33           H        PHE  33  -8.755   8.787  -3.888
  286    HA   PHE  33           HA       PHE  33  -9.863   9.849  -6.366
  287   1HB   PHE  33          2HB       PHE  33 -10.397  11.158  -3.999
  288   2HB   PHE  33          1HB       PHE  33  -8.947  11.982  -4.573
  289    HD1  PHE  33           1HD      PHE  33 -11.934  10.585  -6.327
  290    HD2  PHE  33           2HD      PHE  33  -9.522  13.994  -5.504
  291    HE1  PHE  33           1HE      PHE  33 -13.308  11.923  -7.867
  292    HE2  PHE  33           2HE      PHE  33 -10.893  15.338  -7.041
  293    HZ   PHE  33           HZ       PHE  33 -12.787  14.303  -8.228
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  17.856 -15.636   7.494
    2   2H    GLY   1          2H        GLY   1  19.510 -15.960   7.299
    3   3H    GLY   1          3H        GLY   1  18.386 -17.227   7.236
    4   1HA   GLY   1          2HA       GLY   1  19.397 -15.895   5.092
    5   2HA   GLY   1          1HA       GLY   1  17.961 -16.915   5.094
    6    H    SER   2           H        SER   2  18.185 -14.844   3.302
    7    HA   SER   2           HA       SER   2  16.461 -12.733   4.410
    8   1HB   SER   2          2HB       SER   2  17.713 -12.515   1.705
    9   2HB   SER   2          1HB       SER   2  17.379 -11.255   2.894
   10    HG   SER   2           HG       SER   2  19.087 -12.213   4.182
   11    H    ARG   3           H        ARG   3  14.435 -13.566   4.253
   12    HA   ARG   3           HA       ARG   3  13.536 -14.325   1.550
   13   1HB   ARG   3          2HB       ARG   3  13.550 -16.132   3.392
   14   2HB   ARG   3          1HB       ARG   3  12.197 -15.247   4.084
   15   1HG   ARG   3          2HG       ARG   3  11.055 -16.748   2.821
   16   2HG   ARG   3          1HG       ARG   3  11.257 -15.468   1.623
   17   1HD   ARG   3          2HD       ARG   3  11.782 -17.756   0.784
   18   2HD   ARG   3          1HD       ARG   3  13.104 -16.600   0.620
   19    HE   ARG   3           HE       ARG   3  12.993 -18.544   2.846
   20   1HH1  ARG   3          2HH1      ARG   3  14.675 -17.013   0.180
   21   2HH1  ARG   3          1HH1      ARG   3  16.189 -17.802   0.517
   22   1HH2  ARG   3          2HH2      ARG   3  14.969 -19.598   3.289
   23   2HH2  ARG   3          1HH2      ARG   3  16.364 -19.248   2.311
   24    H    LEU   4           H        LEU   4  12.057 -13.054   0.692
   25    HA   LEU   4           HA       LEU   4  10.333 -11.471   2.469
   26   1HB   LEU   4          2HB       LEU   4  12.398 -10.382   1.016
   27   2HB   LEU   4          1HB       LEU   4  11.030 -10.157  -0.056
   28    HG   LEU   4           HG       LEU   4  11.602  -8.248   1.540
   29   1HD1  LEU   4          1HD1      LEU   4   9.559  -8.193   0.343
   30   2HD1  LEU   4          2HD1      LEU   4   8.842  -9.427   1.381
   31   3HD1  LEU   4          3HD1      LEU   4   9.180  -7.819   2.025
   32   1HD2  LEU   4          1HD2      LEU   4  11.482 -10.242   3.439
   33   2HD2  LEU   4          2HD2      LEU   4  11.480  -8.504   3.750
   34   3HD2  LEU   4          3HD2      LEU   4   9.954  -9.383   3.645
   35    HA   PRO   5           HA       PRO   5   7.531 -13.715  -0.278
   36   1HB   PRO   5          2HB       PRO   5   5.515 -12.629   1.570
   37   2HB   PRO   5          1HB       PRO   5   5.855 -14.306   1.141
   38   1HG   PRO   5          2HG       PRO   5   6.480 -13.308   3.555
   39   2HG   PRO   5          1HG       PRO   5   7.489 -14.528   2.755
   40   1HD   PRO   5          2HD       PRO   5   7.913 -11.574   2.992
   41   2HD   PRO   5          1HD       PRO   5   9.096 -12.896   3.102
   42    H    LYS   6           H        LYS   6   6.206 -13.040  -1.894
   43    HA   LYS   6           HA       LYS   6   5.973 -10.155  -2.279
   44   1HB   LYS   6          2HB       LYS   6   5.145 -12.302  -4.229
   45   2HB   LYS   6          1HB       LYS   6   5.521 -10.619  -4.567
   46   1HG   LYS   6          2HG       LYS   6   7.665 -12.294  -3.393
   47   2HG   LYS   6          1HG       LYS   6   7.220 -12.576  -5.078
   48   1HD   LYS   6          2HD       LYS   6   8.310 -10.751  -5.733
   49   2HD   LYS   6          1HD       LYS   6   7.445  -9.756  -4.561
   50   1HE   LYS   6          2HE       LYS   6   9.163 -11.029  -2.927
   51   2HE   LYS   6          1HE       LYS   6  10.121 -10.986  -4.407
   52   1HZ   LYS   6          1HZ       LYS   6   9.684  -8.563  -4.495
   53   2HZ   LYS   6          2HZ       LYS   6  10.585  -9.038  -3.138
   54   3HZ   LYS   6          3HZ       LYS   6   8.936  -8.674  -2.975
   55    H    LEU   7           H        LEU   7   4.379  -9.795  -0.704
   56    HA   LEU   7           HA       LEU   7   1.891 -11.195  -0.751
   57   1HB   LEU   7          2HB       LEU   7   3.111  -9.022   0.825
   58   2HB   LEU   7          1HB       LEU   7   1.368  -8.955   0.696
   59    HG   LEU   7           HG       LEU   7   1.724 -10.118   2.674
   60   1HD1  LEU   7          1HD1      LEU   7   0.125 -11.458   1.771
   61   2HD1  LEU   7          2HD1      LEU   7   1.106 -11.863   0.362
   62   3HD1  LEU   7          3HD1      LEU   7   1.420 -12.650   1.909
   63   1HD2  LEU   7          1HD2      LEU   7   4.098 -11.165   1.274
   64   2HD2  LEU   7          2HD2      LEU   7   3.897 -10.651   2.948
   65   3HD2  LEU   7          3HD2      LEU   7   3.333 -12.242   2.441
   66    H    TYR   8           H        TYR   8   0.329  -8.736  -0.222
   67    HA   TYR   8           HA       TYR   8  -0.129  -7.962  -3.021
   68   1HB   TYR   8          2HB       TYR   8  -2.133  -7.793  -0.764
   69   2HB   TYR   8          1HB       TYR   8  -2.445  -7.722  -2.501
   70    HD1  TYR   8           1HD      TYR   8  -1.841  -9.896   0.358
   71    HD2  TYR   8           2HD      TYR   8  -2.348  -9.764  -3.860
   72    HE1  TYR   8           1HE      TYR   8  -2.163 -12.329   0.330
   73    HE2  TYR   8           2HE      TYR   8  -2.689 -12.194  -3.899
   74    HH   TYR   8           HH       TYR   8  -2.154 -14.171  -1.061
   75    H    LEU   9           H        LEU   9   0.736  -6.095  -3.426
   76    HA   LEU   9           HA       LEU   9   1.351  -4.254  -1.312
   77   1HB   LEU   9          2HB       LEU   9   2.717  -5.017  -3.427
   78   2HB   LEU   9          1HB       LEU   9   1.870  -3.686  -4.193
   79    HG   LEU   9           HG       LEU   9   2.837  -2.105  -2.640
   80   1HD1  LEU   9          1HD1      LEU   9   4.799  -3.516  -1.275
   81   2HD1  LEU   9          2HD1      LEU   9   3.329  -2.819  -0.590
   82   3HD1  LEU   9          3HD1      LEU   9   3.349  -4.505  -1.109
   83   1HD2  LEU   9          1HD2      LEU   9   4.139  -2.691  -4.622
   84   2HD2  LEU   9          2HD2      LEU   9   5.195  -2.330  -3.259
   85   3HD2  LEU   9          3HD2      LEU   9   4.913  -4.003  -3.734
   86    H    CYS  10           H        CYS  10   0.574  -2.243  -0.965
   87    HA   CYS  10           HA       CYS  10  -1.693  -1.294  -2.503
   88   1HB   CYS  10          2HB       CYS  10  -2.015  -0.858  -0.176
   89   2HB   CYS  10          1HB       CYS  10  -0.356  -0.303   0.025
   90    H    GLU  11           H        GLU  11  -1.456   0.189  -4.000
   91    HA   GLU  11           HA       GLU  11   1.142   0.833  -4.960
   92   1HB   GLU  11          2HB       GLU  11  -1.652   1.289  -5.850
   93   2HB   GLU  11          1HB       GLU  11  -0.434   2.393  -6.477
   94   1HG   GLU  11          2HG       GLU  11   0.397   0.862  -7.853
   95   2HG   GLU  11          1HG       GLU  11   0.387  -0.389  -6.615
   96    H    PHE  12           H        PHE  12  -0.574   2.188  -2.487
   97    HA   PHE  12           HA       PHE  12   0.612   4.847  -2.968
   98   1HB   PHE  12          2HB       PHE  12  -1.823   4.308  -1.268
   99   2HB   PHE  12          1HB       PHE  12  -1.233   5.864  -1.845
  100    HD1  PHE  12           1HD      PHE  12  -3.425   3.143  -2.472
  101    HD2  PHE  12           2HD      PHE  12  -1.226   6.244  -4.383
  102    HE1  PHE  12           1HE      PHE  12  -4.865   2.937  -4.455
  103    HE2  PHE  12           2HE      PHE  12  -2.664   6.044  -6.370
  104    HZ   PHE  12           HZ       PHE  12  -4.489   4.389  -6.406
  105    H    CYS  13           H        CYS  13  -0.044   2.340  -0.568
  106    HA   CYS  13           HA       CYS  13   1.586   3.756   1.423
  107   1HB   CYS  13          2HB       CYS  13   0.135   1.106   1.587
  108   2HB   CYS  13          1HB       CYS  13   0.998   1.876   2.912
  109    H    LEU  14           H        LEU  14   1.525   1.040  -0.704
  110    HA   LEU  14           HA       LEU  14   2.984  -0.501  -1.358
  111   1HB   LEU  14          2HB       LEU  14   5.019   1.481  -0.356
  112   2HB   LEU  14          1HB       LEU  14   5.407   0.052  -1.300
  113    HG   LEU  14           HG       LEU  14   3.398   1.938  -2.421
  114   1HD1  LEU  14          1HD1      LEU  14   5.005   3.533  -1.741
  115   2HD1  LEU  14          2HD1      LEU  14   6.342   2.510  -2.268
  116   3HD1  LEU  14          3HD1      LEU  14   5.266   3.241  -3.461
  117   1HD2  LEU  14          1HD2      LEU  14   3.843  -0.040  -3.661
  118   2HD2  LEU  14          2HD2      LEU  14   4.611   1.300  -4.515
  119   3HD2  LEU  14          3HD2      LEU  14   5.586   0.202  -3.535
  120    H    LYS  15           H        LYS  15   1.757  -0.737   1.087
  121    HA   LYS  15           HA       LYS  15   3.730  -2.128   2.759
  122   1HB   LYS  15          2HB       LYS  15   0.831  -1.535   3.398
  123   2HB   LYS  15          1HB       LYS  15   2.044  -2.172   4.500
  124   1HG   LYS  15          2HG       LYS  15   2.321   0.520   3.204
  125   2HG   LYS  15          1HG       LYS  15   1.441   0.284   4.715
  126   1HD   LYS  15          2HD       LYS  15   3.331  -0.093   5.914
  127   2HD   LYS  15          1HD       LYS  15   4.145  -0.902   4.573
  128   1HE   LYS  15          2HE       LYS  15   5.356   1.061   4.816
  129   2HE   LYS  15          1HE       LYS  15   4.242   1.433   3.502
  130   1HZ   LYS  15          1HZ       LYS  15   3.446   2.077   6.253
  131   2HZ   LYS  15          2HZ       LYS  15   3.028   2.843   4.801
  132   3HZ   LYS  15          3HZ       LYS  15   4.566   3.080   5.469
  133    H    TYR  16           H        TYR  16   3.275  -4.311   3.386
  134    HA   TYR  16           HA       TYR  16   2.056  -5.749   1.190
  135   1HB   TYR  16          2HB       TYR  16   3.764  -6.604   3.521
  136   2HB   TYR  16          1HB       TYR  16   3.063  -7.750   2.379
  137    HD1  TYR  16           1HD      TYR  16   5.954  -6.028   3.121
  138    HD2  TYR  16           2HD      TYR  16   3.442  -6.937  -0.185
  139    HE1  TYR  16           1HE      TYR  16   7.841  -5.645   1.591
  140    HE2  TYR  16           2HE      TYR  16   5.314  -6.542  -1.727
  141    HH   TYR  16           HH       TYR  16   7.839  -4.918  -1.191
  142    H    MET  17           H        MET  17  -0.029  -6.087   1.263
  143    HA   MET  17           HA       MET  17  -1.463  -6.480   3.748
  144   1HB   MET  17          2HB       MET  17  -2.318  -6.562   0.866
  145   2HB   MET  17          1HB       MET  17  -3.421  -6.826   2.201
  146   1HG   MET  17          2HG       MET  17  -1.818  -4.327   1.724
  147   2HG   MET  17          1HG       MET  17  -3.520  -4.538   1.329
  148   1HE   MET  17          1HE       MET  17  -1.588  -2.946   4.817
  149   2HE   MET  17          2HE       MET  17  -1.367  -2.868   3.069
  150   3HE   MET  17          3HE       MET  17  -2.681  -1.974   3.836
  151    H    LYS  18           H        LYS  18  -2.230  -8.386   4.527
  152    HA   LYS  18           HA       LYS  18  -0.715 -10.660   3.729
  153   1HB   LYS  18          2HB       LYS  18  -2.152  -9.824   6.036
  154   2HB   LYS  18          1HB       LYS  18  -2.734 -11.422   5.588
  155   1HG   LYS  18          2HG       LYS  18  -1.004 -12.031   6.918
  156   2HG   LYS  18          1HG       LYS  18  -0.137 -11.902   5.386
  157   1HD   LYS  18          2HD       LYS  18  -0.341  -9.398   6.906
  158   2HD   LYS  18          1HD       LYS  18   0.607 -10.662   7.690
  159   1HE   LYS  18          2HE       LYS  18   1.447 -10.725   5.053
  160   2HE   LYS  18          1HE       LYS  18   1.244  -9.007   5.393
  161   1HZ   LYS  18          1HZ       LYS  18   2.624  -9.359   7.412
  162   2HZ   LYS  18          2HZ       LYS  18   3.457  -9.613   5.955
  163   3HZ   LYS  18          3HZ       LYS  18   2.939 -10.938   6.877
  164    H    SER  19           H        SER  19  -4.076  -9.744   3.323
  165    HA   SER  19           HA       SER  19  -4.467 -12.232   1.803
  166   1HB   SER  19          2HB       SER  19  -6.758 -10.771   3.069
  167   2HB   SER  19          1HB       SER  19  -6.635 -12.472   2.622
  168    HG   SER  19           HG       SER  19  -4.931 -12.537   4.317
  169    H    ARG  20           H        ARG  20  -5.576 -12.126  -0.121
  170    HA   ARG  20           HA       ARG  20  -5.197  -9.835  -1.681
  171   1HB   ARG  20          2HB       ARG  20  -5.592 -12.360  -2.296
  172   2HB   ARG  20          1HB       ARG  20  -7.276 -11.863  -2.402
  173   1HG   ARG  20          2HG       ARG  20  -6.638 -10.141  -4.043
  174   2HG   ARG  20          1HG       ARG  20  -4.972 -10.717  -3.964
  175   1HD   ARG  20          2HD       ARG  20  -6.255 -11.606  -5.899
  176   2HD   ARG  20          1HD       ARG  20  -5.606 -12.855  -4.839
  177    HE   ARG  20           HE       ARG  20  -7.824 -13.184  -3.955
  178   1HH1  ARG  20          2HH1      ARG  20  -7.590 -11.242  -6.865
  179   2HH1  ARG  20          1HH1      ARG  20  -9.271 -11.445  -7.289
  180   1HH2  ARG  20          2HH2      ARG  20 -10.034 -13.472  -4.508
  181   2HH2  ARG  20          1HH2      ARG  20 -10.648 -12.756  -5.974
  182    H    THR  21           H        THR  21  -8.140 -11.128  -0.167
  183    HA   THR  21           HA       THR  21  -9.863  -9.132  -1.180
  184    HB   THR  21           HB       THR  21 -10.230 -11.479   0.171
  185    HG1  THR  21           1HG      THR  21 -11.666 -10.227  -1.274
  186   1HG2  THR  21          1HG2      THR  21 -11.289 -11.118   2.257
  187   2HG2  THR  21          2HG2      THR  21 -11.282  -9.366   2.042
  188   3HG2  THR  21          3HG2      THR  21  -9.769 -10.228   2.324
  189    H    ILE  22           H        ILE  22  -7.600  -9.152   1.422
  190    HA   ILE  22           HA       ILE  22  -8.704  -6.894   2.819
  191    HB   ILE  22           HB       ILE  22  -6.276  -8.574   3.061
  192   1HG1  ILE  22          2HG1      ILE  22  -7.873  -7.267   5.247
  193   1HG2  ILE  22          1HG2      ILE  22  -5.554  -6.084   2.894
  194   2HG2  ILE  22          2HG2      ILE  22  -6.237  -5.969   4.517
  195   3HG2  ILE  22          3HG2      ILE  22  -4.919  -7.095   4.191
  196   1HD1  ILE  22          1HD1      ILE  22  -7.464  -9.550   6.285
  197   2HD1  ILE  22          2HD1      ILE  22  -6.256  -9.772   5.020
  198   3HD1  ILE  22          3HD1      ILE  22  -6.090  -8.445   6.173
  199    H    LEU  23           H        LEU  23  -6.222  -7.457   0.371
  200    HA   LEU  23           HA       LEU  23  -5.268  -4.799   0.267
  201   1HB   LEU  23          2HB       LEU  23  -4.291  -7.024  -0.710
  202   2HB   LEU  23          1HB       LEU  23  -5.229  -6.593  -2.125
  203    HG   LEU  23           HG       LEU  23  -2.630  -5.772  -1.486
  204   1HD1  LEU  23          1HD1      LEU  23  -3.043  -4.318  -3.564
  205   2HD1  LEU  23          2HD1      LEU  23  -3.193  -6.068  -3.704
  206   3HD1  LEU  23          3HD1      LEU  23  -4.639  -5.067  -3.578
  207   1HD2  LEU  23          1HD2      LEU  23  -4.630  -3.617  -0.978
  208   2HD2  LEU  23          2HD2      LEU  23  -3.118  -3.967  -0.140
  209   3HD2  LEU  23          3HD2      LEU  23  -3.089  -3.219  -1.736
  210    H    GLN  24           H        GLN  24  -7.668  -6.529  -1.753
  211    HA   GLN  24           HA       GLN  24  -8.216  -4.289  -3.387
  212   1HB   GLN  24          2HB       GLN  24 -10.297  -5.514  -4.024
  213   2HB   GLN  24          1HB       GLN  24  -8.822  -6.450  -4.203
  214   1HG   GLN  24          2HG       GLN  24  -9.839  -8.057  -3.076
  215   2HG   GLN  24          1HG       GLN  24  -9.679  -7.040  -1.644
  216   1HE2  GLN  24          1HE2      GLN  24 -11.485  -6.857  -0.567
  217   2HE2  GLN  24          2HE2      GLN  24 -13.087  -6.801  -1.233
  218    H    GLN  25           H        GLN  25  -9.291  -5.182  -0.233
  219    HA   GLN  25           HA       GLN  25 -11.512  -3.348  -0.145
  220   1HB   GLN  25          2HB       GLN  25 -10.116  -5.137   1.766
  221   2HB   GLN  25          1HB       GLN  25 -10.889  -3.719   2.460
  222   1HG   GLN  25          2HG       GLN  25 -12.968  -4.461   1.159
  223   2HG   GLN  25          1HG       GLN  25 -12.133  -6.004   0.982
  224   1HE2  GLN  25          1HE2      GLN  25 -13.253  -7.318   2.288
  225   2HE2  GLN  25          2HE2      GLN  25 -13.514  -7.040   3.980
  226    H    HIS  26           H        HIS  26  -8.142  -3.393   0.854
  227    HA   HIS  26           HA       HIS  26  -8.136  -0.858   2.091
  228   1HB   HIS  26          2HB       HIS  26  -6.425  -2.467   2.646
  229   2HB   HIS  26          1HB       HIS  26  -5.890  -2.548   0.971
  230    HD1  HIS  26           1HD      HIS  26  -5.263  -0.754   4.124
  231    HD2  HIS  26           2HD      HIS  26  -4.654  -0.088   0.053
  232    HE1  HIS  26           1HE      HIS  26  -3.615   1.179   3.938
  233    H    MET  27           H        MET  27  -6.969  -1.903  -1.108
  234    HA   MET  27           HA       MET  27  -6.028   0.647  -1.806
  235   1HB   MET  27          2HB       MET  27  -6.414  -1.923  -3.227
  236   2HB   MET  27          1HB       MET  27  -6.241  -0.480  -4.217
  237   1HG   MET  27          2HG       MET  27  -4.232  -0.299  -2.290
  238   2HG   MET  27          1HG       MET  27  -4.242  -1.986  -2.809
  239   1HE   MET  27          1HE       MET  27  -3.801  -2.881  -4.798
  240   2HE   MET  27          2HE       MET  27  -4.560  -2.045  -6.150
  241   3HE   MET  27          3HE       MET  27  -2.803  -2.179  -6.072
  242    H    LYS  28           H        LYS  28  -9.194  -0.582  -1.832
  243    HA   LYS  28           HA       LYS  28 -10.137   1.306  -3.832
  244   1HB   LYS  28          2HB       LYS  28 -11.284  -0.952  -2.335
  245   2HB   LYS  28          1HB       LYS  28 -12.385   0.403  -2.558
  246   1HG   LYS  28          2HG       LYS  28 -12.577  -1.294  -4.326
  247   2HG   LYS  28          1HG       LYS  28 -12.112   0.290  -4.949
  248   1HD   LYS  28          2HD       LYS  28 -10.154  -0.470  -5.718
  249   2HD   LYS  28          1HD       LYS  28  -9.826  -1.378  -4.237
  250   1HE   LYS  28          2HE       LYS  28 -11.059  -3.235  -4.990
  251   2HE   LYS  28          1HE       LYS  28 -11.814  -2.314  -6.287
  252   1HZ   LYS  28          1HZ       LYS  28  -9.734  -2.200  -7.440
  253   2HZ   LYS  28          2HZ       LYS  28 -10.045  -3.823  -7.055
  254   3HZ   LYS  28          3HZ       LYS  28  -8.914  -2.939  -6.151
  255    H    LYS  29           H        LYS  29  -9.404   1.201  -0.553
  256    HA   LYS  29           HA       LYS  29 -11.093   3.472   0.151
  257   1HB   LYS  29          2HB       LYS  29 -10.834   1.586   1.752
  258   2HB   LYS  29          1HB       LYS  29  -9.111   1.919   1.829
  259   1HG   LYS  29          2HG       LYS  29 -10.664   4.284   2.404
  260   2HG   LYS  29          1HG       LYS  29 -11.090   2.948   3.475
  261   1HD   LYS  29          2HD       LYS  29  -8.279   2.947   3.235
  262   2HD   LYS  29          1HD       LYS  29  -8.771   4.618   3.518
  263   1HE   LYS  29          2HE       LYS  29 -10.012   3.950   5.486
  264   2HE   LYS  29          1HE       LYS  29  -9.620   2.256   5.189
  265   1HZ   LYS  29          1HZ       LYS  29  -7.272   3.858   5.268
  266   2HZ   LYS  29          2HZ       LYS  29  -7.675   2.502   6.204
  267   3HZ   LYS  29          3HZ       LYS  29  -8.174   4.049   6.691
  268    H    CYS  30           H        CYS  30  -7.741   2.519  -0.215
  269    HA   CYS  30           HA       CYS  30  -6.573   5.045   0.342
  270   1HB   CYS  30          2HB       CYS  30  -5.669   2.458  -0.121
  271   2HB   CYS  30          1HB       CYS  30  -5.098   3.354  -1.519
  272    H    GLY  31           H        GLY  31  -7.281   3.313  -2.684
  273   1HA   GLY  31          1HA       GLY  31  -6.780   5.720  -4.244
  274   2HA   GLY  31          2HA       GLY  31  -7.173   4.123  -4.877
  275    H    TRP  32           H        TRP  32  -8.703   6.536  -2.751
  276    HA   TRP  32           HA       TRP  32 -11.326   5.858  -3.769
  277   1HB   TRP  32          2HB       TRP  32 -10.449   6.834  -1.378
  278   2HB   TRP  32          1HB       TRP  32 -11.059   8.296  -2.149
  279    HD1  TRP  32           HD       TRP  32 -12.232   4.834  -0.971
  280    HE1  TRP  32           1HE      TRP  32 -14.799   4.870  -0.748
  281    HE3  TRP  32           3HE      TRP  32 -13.139   9.484  -2.889
  282    HZ2  TRP  32           2HZ      TRP  32 -16.902   6.643  -1.300
  283    HZ3  TRP  32           3HZ      TRP  32 -15.464  10.278  -2.998
  284    HH2  TRP  32           HH       TRP  32 -17.312   8.882  -2.217
  285    H    PHE  33           H        PHE  33  -9.791   9.049  -3.405
  286    HA   PHE  33           HA       PHE  33  -9.775   9.712  -6.124
  287   1HB   PHE  33          2HB       PHE  33 -12.354   9.930  -4.951
  288   2HB   PHE  33          1HB       PHE  33 -11.748  11.568  -5.189
  289    HD1  PHE  33           1HD      PHE  33 -10.711  12.039  -7.549
  290    HD2  PHE  33           2HD      PHE  33 -13.421   8.873  -6.696
  291    HE1  PHE  33           1HE      PHE  33 -11.307  11.909  -9.931
  292    HE2  PHE  33           2HE      PHE  33 -14.027   8.742  -9.077
  293    HZ   PHE  33           HZ       PHE  33 -12.965  10.262 -10.699
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  10.498  -8.733  -0.328
    2   2H    GLY   1          2H        GLY   1  11.670  -7.537  -0.593
    3   3H    GLY   1          3H        GLY   1  11.410  -8.140   0.970
    4   1HA   GLY   1          2HA       GLY   1  11.978 -10.329  -0.658
    5   2HA   GLY   1          1HA       GLY   1  13.173  -9.087  -1.008
    6    H    SER   2           H        SER   2  14.789  -8.721   0.413
    7    HA   SER   2           HA       SER   2  15.277 -10.513   2.562
    8   1HB   SER   2          2HB       SER   2  16.749  -8.081   2.887
    9   2HB   SER   2          1HB       SER   2  17.331  -9.640   2.304
   10    HG   SER   2           HG       SER   2  17.426  -8.810   0.385
   11    H    ARG   3           H        ARG   3  14.019  -7.251   2.294
   12    HA   ARG   3           HA       ARG   3  13.185  -7.358   5.117
   13   1HB   ARG   3          2HB       ARG   3  13.519  -4.980   3.275
   14   2HB   ARG   3          1HB       ARG   3  12.820  -4.895   4.885
   15   1HG   ARG   3          2HG       ARG   3  15.370  -6.206   4.992
   16   2HG   ARG   3          1HG       ARG   3  15.511  -4.647   4.178
   17   1HD   ARG   3          2HD       ARG   3  14.227  -5.105   6.867
   18   2HD   ARG   3          1HD       ARG   3  15.851  -4.471   6.608
   19    HE   ARG   3           HE       ARG   3  14.296  -2.772   5.188
   20   1HH1  ARG   3          2HH1      ARG   3  14.203  -3.917   8.495
   21   2HH1  ARG   3          1HH1      ARG   3  13.462  -2.469   9.112
   22   1HH2  ARG   3          2HH2      ARG   3  13.337  -0.862   5.988
   23   2HH2  ARG   3          1HH2      ARG   3  12.950  -0.738   7.681
   24    H    LEU   4           H        LEU   4  11.132  -7.762   5.442
   25    HA   LEU   4           HA       LEU   4   8.886  -7.948   5.197
   26   1HB   LEU   4          2HB       LEU   4   9.413  -5.932   3.051
   27   2HB   LEU   4          1HB       LEU   4   7.834  -6.688   3.165
   28    HG   LEU   4           HG       LEU   4   8.942  -5.507   5.655
   29   1HD1  LEU   4          1HD1      LEU   4   8.688  -3.310   5.092
   30   2HD1  LEU   4          2HD1      LEU   4   9.287  -3.944   3.559
   31   3HD1  LEU   4          3HD1      LEU   4   7.561  -3.662   3.782
   32   1HD2  LEU   4          1HD2      LEU   4   6.701  -6.689   5.344
   33   2HD2  LEU   4          2HD2      LEU   4   6.691  -5.129   6.166
   34   3HD2  LEU   4          3HD2      LEU   4   6.199  -5.238   4.475
   35    HA   PRO   5           HA       PRO   5   8.820 -11.439   2.506
   36   1HB   PRO   5          2HB       PRO   5   6.007 -11.778   3.174
   37   2HB   PRO   5          1HB       PRO   5   7.390 -12.765   3.654
   38   1HG   PRO   5          2HG       PRO   5   6.001 -11.207   5.396
   39   2HG   PRO   5          1HG       PRO   5   7.722 -11.583   5.591
   40   1HD   PRO   5          2HD       PRO   5   6.431  -9.102   4.528
   41   2HD   PRO   5          1HD       PRO   5   7.844  -9.269   5.595
   42    H    LYS   6           H        LYS   6   7.107 -12.432   0.893
   43    HA   LYS   6           HA       LYS   6   6.476 -10.281  -0.972
   44   1HB   LYS   6          2HB       LYS   6   7.450 -12.877  -1.301
   45   2HB   LYS   6          1HB       LYS   6   5.790 -12.955  -1.876
   46   1HG   LYS   6          2HG       LYS   6   6.389 -10.849  -3.228
   47   2HG   LYS   6          1HG       LYS   6   8.063 -11.307  -2.907
   48   1HD   LYS   6          2HD       LYS   6   7.964 -12.734  -4.606
   49   2HD   LYS   6          1HD       LYS   6   6.727 -13.644  -3.738
   50   1HE   LYS   6          2HE       LYS   6   5.553 -11.317  -4.922
   51   2HE   LYS   6          1HE       LYS   6   6.456 -12.210  -6.145
   52   1HZ   LYS   6          1HZ       LYS   6   4.323 -13.300  -4.385
   53   2HZ   LYS   6          2HZ       LYS   6   5.236 -14.219  -5.480
   54   3HZ   LYS   6          3HZ       LYS   6   4.202 -13.002  -6.053
   55    H    LEU   7           H        LEU   7   4.617  -9.328  -0.425
   56    HA   LEU   7           HA       LEU   7   2.257 -11.052  -0.057
   57   1HB   LEU   7          2HB       LEU   7   3.163  -8.629   1.409
   58   2HB   LEU   7          1HB       LEU   7   1.446  -8.813   1.148
   59    HG   LEU   7           HG       LEU   7   1.733  -9.730   3.245
   60   1HD1  LEU   7          1HD1      LEU   7   0.546 -11.489   2.566
   61   2HD1  LEU   7          2HD1      LEU   7   1.493 -11.668   1.089
   62   3HD1  LEU   7          3HD1      LEU   7   2.071 -12.375   2.598
   63   1HD2  LEU   7          1HD2      LEU   7   3.966  -9.768   3.714
   64   2HD2  LEU   7          2HD2      LEU   7   3.666 -11.496   3.541
   65   3HD2  LEU   7          3HD2      LEU   7   4.385 -10.588   2.210
   66    H    TYR   8           H        TYR   8   0.597  -8.635   0.046
   67    HA   TYR   8           HA       TYR   8   0.459  -8.113  -2.837
   68   1HB   TYR   8          2HB       TYR   8  -1.656  -7.707  -0.703
   69   2HB   TYR   8          1HB       TYR   8  -1.876  -7.498  -2.439
   70    HD1  TYR   8           1HD      TYR   8  -2.834  -9.222  -3.617
   71    HD2  TYR   8           2HD      TYR   8  -0.774 -10.124  -0.012
   72    HE1  TYR   8           1HE      TYR   8  -3.503 -11.572  -3.830
   73    HE2  TYR   8           2HE      TYR   8  -1.425 -12.473  -0.211
   74    HH   TYR   8           HH       TYR   8  -2.137 -13.994  -2.547
   75    H    LEU   9           H        LEU   9   1.741  -6.381  -3.180
   76    HA   LEU   9           HA       LEU   9   1.919  -4.220  -1.307
   77   1HB   LEU   9          2HB       LEU   9   3.787  -5.022  -2.755
   78   2HB   LEU   9          1HB       LEU   9   2.942  -4.358  -4.139
   79    HG   LEU   9           HG       LEU   9   3.169  -2.103  -3.228
   80   1HD1  LEU   9          1HD1      LEU   9   3.150  -2.160  -0.954
   81   2HD1  LEU   9          2HD1      LEU   9   4.181  -3.589  -0.868
   82   3HD1  LEU   9          3HD1      LEU   9   4.887  -2.015  -1.232
   83   1HD2  LEU   9          1HD2      LEU   9   5.734  -3.682  -3.308
   84   2HD2  LEU   9          2HD2      LEU   9   4.934  -2.887  -4.664
   85   3HD2  LEU   9          3HD2      LEU   9   5.634  -1.921  -3.363
   86    H    CYS  10           H        CYS  10   0.499  -2.627  -1.124
   87    HA   CYS  10           HA       CYS  10  -1.582  -2.136  -2.917
   88   1HB   CYS  10          2HB       CYS  10  -2.299  -1.005  -1.137
   89   2HB   CYS  10          1HB       CYS  10  -0.782  -1.363  -0.348
   90    H    GLU  11           H        GLU  11   1.622  -0.852  -2.612
   91    HA   GLU  11           HA       GLU  11   2.982   0.272  -4.015
   92   1HB   GLU  11          2HB       GLU  11   0.757  -0.443  -5.885
   93   2HB   GLU  11          1HB       GLU  11   2.068   0.596  -6.426
   94   1HG   GLU  11          2HG       GLU  11   3.684  -1.135  -5.810
   95   2HG   GLU  11          1HG       GLU  11   2.355  -2.182  -5.314
   96    H    PHE  12           H        PHE  12   0.255   1.571  -2.826
   97    HA   PHE  12           HA       PHE  12   0.851   4.212  -4.011
   98   1HB   PHE  12          2HB       PHE  12  -1.704   3.260  -2.696
   99   2HB   PHE  12          1HB       PHE  12  -1.414   4.894  -3.280
  100    HD1  PHE  12           1HD      PHE  12  -0.546   4.947  -5.820
  101    HD2  PHE  12           2HD      PHE  12  -2.918   1.876  -4.063
  102    HE1  PHE  12           1HE      PHE  12  -1.349   4.297  -8.054
  103    HE2  PHE  12           2HE      PHE  12  -3.723   1.223  -6.290
  104    HZ   PHE  12           HZ       PHE  12  -2.941   2.430  -8.290
  105    H    CYS  13           H        CYS  13  -0.166   2.609  -1.034
  106    HA   CYS  13           HA       CYS  13   1.206   4.644   0.583
  107   1HB   CYS  13          2HB       CYS  13  -0.137   2.232   1.759
  108   2HB   CYS  13          1HB       CYS  13   0.075   3.833   2.457
  109    H    LEU  14           H        LEU  14   1.460   1.631  -0.903
  110    HA   LEU  14           HA       LEU  14   3.100   0.103  -1.114
  111   1HB   LEU  14          2HB       LEU  14   4.746   2.098   0.431
  112   2HB   LEU  14          1HB       LEU  14   5.388   0.674  -0.367
  113    HG   LEU  14           HG       LEU  14   3.807   2.539  -2.045
  114   1HD1  LEU  14          1HD1      LEU  14   5.792   3.584  -0.392
  115   2HD1  LEU  14          2HD1      LEU  14   6.547   3.400  -1.976
  116   3HD1  LEU  14          3HD1      LEU  14   5.066   4.342  -1.807
  117   1HD2  LEU  14          1HD2      LEU  14   4.631   0.931  -3.393
  118   2HD2  LEU  14          2HD2      LEU  14   6.055   1.973  -3.397
  119   3HD2  LEU  14          3HD2      LEU  14   5.989   0.575  -2.324
  120    H    LYS  15           H        LYS  15   1.243  -0.149   0.930
  121    HA   LYS  15           HA       LYS  15   2.756  -1.493   3.059
  122   1HB   LYS  15          2HB       LYS  15   0.239  -0.114   2.989
  123   2HB   LYS  15          1HB       LYS  15  -0.042  -1.789   3.443
  124   1HG   LYS  15          2HG       LYS  15   0.347  -0.137   5.323
  125   2HG   LYS  15          1HG       LYS  15   1.316  -1.612   5.351
  126   1HD   LYS  15          2HD       LYS  15   3.263  -0.503   4.823
  127   2HD   LYS  15          1HD       LYS  15   2.417   0.801   3.986
  128   1HE   LYS  15          2HE       LYS  15   3.035   1.912   5.875
  129   2HE   LYS  15          1HE       LYS  15   1.485   1.270   6.416
  130   1HZ   LYS  15          1HZ       LYS  15   2.681  -0.591   7.434
  131   2HZ   LYS  15          2HZ       LYS  15   3.172   0.900   8.074
  132   3HZ   LYS  15          3HZ       LYS  15   4.160   0.094   6.956
  133    H    TYR  16           H        TYR  16   2.174  -3.725   3.550
  134    HA   TYR  16           HA       TYR  16   1.457  -5.175   1.096
  135   1HB   TYR  16          2HB       TYR  16   3.181  -5.868   3.462
  136   2HB   TYR  16          1HB       TYR  16   2.583  -7.112   2.370
  137    HD1  TYR  16           1HD      TYR  16   5.134  -4.703   2.963
  138    HD2  TYR  16           2HD      TYR  16   3.138  -6.835  -0.129
  139    HE1  TYR  16           1HE      TYR  16   7.041  -4.303   1.464
  140    HE2  TYR  16           2HE      TYR  16   5.035  -6.430  -1.641
  141    HH   TYR  16           HH       TYR  16   7.778  -4.415  -0.648
  142    H    MET  17           H        MET  17  -0.411  -6.210   1.014
  143    HA   MET  17           HA       MET  17  -1.944  -6.597   3.472
  144   1HB   MET  17          2HB       MET  17  -2.800  -7.311   0.665
  145   2HB   MET  17          1HB       MET  17  -3.820  -7.099   2.079
  146   1HG   MET  17          2HG       MET  17  -2.513  -5.046   0.361
  147   2HG   MET  17          1HG       MET  17  -4.184  -5.168   0.904
  148   1HE   MET  17          1HE       MET  17  -2.128  -2.978   0.604
  149   2HE   MET  17          2HE       MET  17  -2.523  -1.876   1.923
  150   3HE   MET  17          3HE       MET  17  -0.992  -2.749   1.934
  151    H    LYS  18           H        LYS  18  -2.695  -8.629   4.154
  152    HA   LYS  18           HA       LYS  18  -0.847 -10.762   3.617
  153   1HB   LYS  18          2HB       LYS  18  -3.351 -10.725   5.315
  154   2HB   LYS  18          1HB       LYS  18  -2.150 -12.008   5.301
  155   1HG   LYS  18          2HG       LYS  18  -1.708  -9.163   6.183
  156   2HG   LYS  18          1HG       LYS  18  -1.847 -10.578   7.229
  157   1HD   LYS  18          2HD       LYS  18   0.332 -10.966   7.017
  158   2HD   LYS  18          1HD       LYS  18   0.156 -11.087   5.266
  159   1HE   LYS  18          2HE       LYS  18   0.865  -8.960   4.909
  160   2HE   LYS  18          1HE       LYS  18   0.156  -8.362   6.409
  161   1HZ   LYS  18          1HZ       LYS  18   2.602  -8.329   6.401
  162   2HZ   LYS  18          2HZ       LYS  18   2.617 -10.021   6.259
  163   3HZ   LYS  18          3HZ       LYS  18   1.968  -9.293   7.646
  164    H    SER  19           H        SER  19  -4.239 -10.109   2.898
  165    HA   SER  19           HA       SER  19  -4.194 -12.385   1.037
  166   1HB   SER  19          2HB       SER  19  -6.728 -11.537   2.392
  167   2HB   SER  19          1HB       SER  19  -6.299 -13.105   1.709
  168    HG   SER  19           HG       SER  19  -4.848 -13.400   3.448
  169    H    ARG  20           H        ARG  20  -5.721 -12.215  -0.736
  170    HA   ARG  20           HA       ARG  20  -5.582  -9.748  -2.077
  171   1HB   ARG  20          2HB       ARG  20  -6.114 -12.298  -2.829
  172   2HB   ARG  20          1HB       ARG  20  -7.732 -11.612  -2.883
  173   1HG   ARG  20          2HG       ARG  20  -7.259 -10.274  -4.648
  174   2HG   ARG  20          1HG       ARG  20  -5.571 -10.067  -4.176
  175   1HD   ARG  20          2HD       ARG  20  -5.738 -12.754  -4.744
  176   2HD   ARG  20          1HD       ARG  20  -6.791 -12.026  -5.957
  177    HE   ARG  20           HE       ARG  20  -4.793 -10.535  -6.440
  178   1HH1  ARG  20          2HH1      ARG  20  -4.485 -13.818  -5.235
  179   2HH1  ARG  20          1HH1      ARG  20  -2.911 -14.061  -5.943
  180   1HH2  ARG  20          2HH2      ARG  20  -2.732 -10.851  -7.367
  181   2HH2  ARG  20          1HH2      ARG  20  -1.906 -12.367  -7.127
  182    H    THR  21           H        THR  21  -8.077 -11.243  -0.130
  183    HA   THR  21           HA       THR  21 -10.239  -9.577  -0.649
  184    HB   THR  21           HB       THR  21 -10.443 -10.152   2.042
  185    HG1  THR  21           1HG      THR  21  -9.591 -12.554   1.635
  186   1HG2  THR  21          1HG2      THR  21 -11.873 -11.944   1.363
  187   2HG2  THR  21          2HG2      THR  21 -11.044 -12.094  -0.185
  188   3HG2  THR  21          3HG2      THR  21 -12.025 -10.669   0.155
  189    H    ILE  22           H        ILE  22  -7.622  -9.250   1.706
  190    HA   ILE  22           HA       ILE  22  -8.525  -6.824   2.840
  191    HB   ILE  22           HB       ILE  22  -5.820  -8.162   2.801
  192   1HG1  ILE  22          2HG1      ILE  22  -7.319  -7.715   5.312
  193   1HG2  ILE  22          1HG2      ILE  22  -4.842  -6.365   3.653
  194   2HG2  ILE  22          2HG2      ILE  22  -6.303  -5.457   3.270
  195   3HG2  ILE  22          3HG2      ILE  22  -6.110  -6.184   4.865
  196   1HD1  ILE  22          1HD1      ILE  22  -6.404  -9.677   6.004
  197   2HD1  ILE  22          2HD1      ILE  22  -6.382 -10.370   4.383
  198   3HD1  ILE  22          3HD1      ILE  22  -5.184  -9.159   4.840
  199    H    LEU  23           H        LEU  23  -6.276  -7.622   0.242
  200    HA   LEU  23           HA       LEU  23  -5.260  -5.046  -0.192
  201   1HB   LEU  23          2HB       LEU  23  -4.664  -7.470  -1.156
  202   2HB   LEU  23          1HB       LEU  23  -5.623  -6.890  -2.499
  203    HG   LEU  23           HG       LEU  23  -2.881  -6.281  -1.785
  204   1HD1  LEU  23          1HD1      LEU  23  -4.354  -6.881  -4.027
  205   2HD1  LEU  23          2HD1      LEU  23  -3.892  -5.193  -4.263
  206   3HD1  LEU  23          3HD1      LEU  23  -2.653  -6.413  -3.975
  207   1HD2  LEU  23          1HD2      LEU  23  -3.184  -3.863  -2.694
  208   2HD2  LEU  23          2HD2      LEU  23  -4.801  -4.019  -2.006
  209   3HD2  LEU  23          3HD2      LEU  23  -3.383  -4.201  -0.974
  210    H    GLN  24           H        GLN  24  -8.019  -6.734  -1.601
  211    HA   GLN  24           HA       GLN  24  -8.702  -4.694  -3.443
  212   1HB   GLN  24          2HB       GLN  24 -10.381  -6.899  -2.242
  213   2HB   GLN  24          1HB       GLN  24 -10.895  -5.871  -3.574
  214   1HG   GLN  24          2HG       GLN  24  -8.307  -7.130  -4.026
  215   2HG   GLN  24          1HG       GLN  24  -9.616  -8.283  -3.792
  216   1HE2  GLN  24          1HE2      GLN  24  -7.933  -6.854  -6.095
  217   2HE2  GLN  24          2HE2      GLN  24  -9.133  -6.701  -7.341
  218    H    GLN  25           H        GLN  25  -9.621  -5.310  -0.097
  219    HA   GLN  25           HA       GLN  25 -11.612  -3.237  -0.077
  220   1HB   GLN  25          2HB       GLN  25 -12.124  -3.913   2.048
  221   2HB   GLN  25          1HB       GLN  25 -11.331  -5.371   1.474
  222   1HG   GLN  25          2HG       GLN  25  -9.197  -4.270   2.484
  223   2HG   GLN  25          1HG       GLN  25 -10.361  -3.322   3.406
  224   1HE2  GLN  25          1HE2      GLN  25 -10.711  -6.657   2.359
  225   2HE2  GLN  25          2HE2      GLN  25 -10.724  -7.352   3.946
  226    H    HIS  26           H        HIS  26  -8.200  -3.479   0.695
  227    HA   HIS  26           HA       HIS  26  -7.983  -1.020   2.082
  228   1HB   HIS  26          2HB       HIS  26  -6.163  -2.538   2.356
  229   2HB   HIS  26          1HB       HIS  26  -5.948  -2.715   0.618
  230    HD1  HIS  26           1HD      HIS  26  -4.865  -0.635   3.512
  231    HD2  HIS  26           2HD      HIS  26  -4.738  -0.445  -0.656
  232    HE1  HIS  26           1HE      HIS  26  -3.249   1.237   2.914
  233    H    MET  27           H        MET  27  -7.578  -1.919  -1.330
  234    HA   MET  27           HA       MET  27  -6.586   0.558  -2.169
  235   1HB   MET  27          2HB       MET  27  -7.726  -1.813  -3.526
  236   2HB   MET  27          1HB       MET  27  -7.668  -0.321  -4.454
  237   1HG   MET  27          2HG       MET  27  -5.256  -0.154  -3.972
  238   2HG   MET  27          1HG       MET  27  -5.344  -1.702  -3.133
  239   1HE   MET  27          1HE       MET  27  -3.824  -3.304  -4.479
  240   2HE   MET  27          2HE       MET  27  -3.493  -3.021  -6.187
  241   3HE   MET  27          3HE       MET  27  -3.191  -1.745  -5.007
  242    H    LYS  28           H        LYS  28  -9.714  -0.253  -1.216
  243    HA   LYS  28           HA       LYS  28 -11.147   1.722  -2.722
  244   1HB   LYS  28          2HB       LYS  28 -11.728  -0.162  -0.551
  245   2HB   LYS  28          1HB       LYS  28 -12.584   1.367  -0.406
  246   1HG   LYS  28          2HG       LYS  28 -14.018  -0.041  -1.599
  247   2HG   LYS  28          1HG       LYS  28 -13.308   1.032  -2.808
  248   1HD   LYS  28          2HD       LYS  28 -11.559  -1.138  -2.645
  249   2HD   LYS  28          1HD       LYS  28 -13.177  -1.847  -2.591
  250   1HE   LYS  28          2HE       LYS  28 -13.773  -0.573  -4.616
  251   2HE   LYS  28          1HE       LYS  28 -12.128   0.061  -4.678
  252   1HZ   LYS  28          1HZ       LYS  28 -12.649  -1.922  -6.130
  253   2HZ   LYS  28          2HZ       LYS  28 -12.685  -2.846  -4.704
  254   3HZ   LYS  28          3HZ       LYS  28 -11.265  -2.037  -5.157
  255    H    LYS  29           H        LYS  29  -9.998   1.550   0.651
  256    HA   LYS  29           HA       LYS  29 -10.421   4.374   1.056
  257   1HB   LYS  29          2HB       LYS  29  -9.557   4.006   3.288
  258   2HB   LYS  29          1HB       LYS  29 -10.721   2.750   2.892
  259   1HG   LYS  29          2HG       LYS  29  -8.106   1.874   2.146
  260   2HG   LYS  29          1HG       LYS  29  -8.083   2.451   3.814
  261   1HD   LYS  29          2HD       LYS  29 -10.419   0.824   3.197
  262   2HD   LYS  29          1HD       LYS  29  -8.896  -0.042   2.984
  263   1HE   LYS  29          2HE       LYS  29  -8.536  -0.148   5.185
  264   2HE   LYS  29          1HE       LYS  29  -8.957   1.548   5.419
  265   1HZ   LYS  29          1HZ       LYS  29 -11.362   0.512   4.978
  266   2HZ   LYS  29          2HZ       LYS  29 -10.679   0.646   6.523
  267   3HZ   LYS  29          3HZ       LYS  29 -10.605  -0.832   5.692
  268    H    CYS  30           H        CYS  30  -8.026   2.504  -0.345
  269    HA   CYS  30           HA       CYS  30  -5.683   3.916   0.342
  270   1HB   CYS  30          2HB       CYS  30  -5.792   1.686  -0.814
  271   2HB   CYS  30          1HB       CYS  30  -6.328   2.518  -2.265
  272    H    GLY  31           H        GLY  31  -7.928   4.199  -2.387
  273   1HA   GLY  31          1HA       GLY  31  -6.760   6.772  -3.141
  274   2HA   GLY  31          2HA       GLY  31  -7.981   5.879  -4.043
  275    H    TRP  32           H        TRP  32  -8.477   6.182  -0.671
  276    HA   TRP  32           HA       TRP  32 -10.837   7.813  -1.071
  277   1HB   TRP  32          2HB       TRP  32  -9.886   5.990   0.915
  278   2HB   TRP  32          1HB       TRP  32 -10.284   7.528   1.684
  279    HD1  TRP  32           HD       TRP  32 -12.146   6.132  -1.364
  280    HE1  TRP  32           1HE      TRP  32 -14.601   5.744  -0.704
  281    HE3  TRP  32           3HE      TRP  32 -11.801   7.117   3.641
  282    HZ2  TRP  32           2HZ      TRP  32 -16.155   5.860   1.602
  283    HZ3  TRP  32           3HZ      TRP  32 -13.841   6.949   5.012
  284    HH2  TRP  32           HH       TRP  32 -15.981   6.329   4.013
  285    H    PHE  33           H        PHE  33  -7.572   8.367  -0.562
  286    HA   PHE  33           HA       PHE  33  -8.109  11.088   0.422
  287   1HB   PHE  33          2HB       PHE  33  -5.448   9.786   0.887
  288   2HB   PHE  33          1HB       PHE  33  -6.233  11.075   1.799
  289    HD1  PHE  33           1HD      PHE  33  -8.489  10.307   2.984
  290    HD2  PHE  33           2HD      PHE  33  -5.307   7.723   1.852
  291    HE1  PHE  33           1HE      PHE  33  -9.244   8.661   4.645
  292    HE2  PHE  33           2HE      PHE  33  -6.052   6.071   3.514
  293    HZ   PHE  33           HZ       PHE  33  -8.026   6.536   4.913
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1   6.920  -8.516  13.657
    2   2H    GLY   1          2H        GLY   1   8.564  -8.165  13.865
    3   3H    GLY   1          3H        GLY   1   7.782  -9.228  14.935
    4   1HA   GLY   1          2HA       GLY   1   9.271 -10.092  12.960
    5   2HA   GLY   1          1HA       GLY   1   7.853 -10.969  13.519
    6    H    SER   2           H        SER   2   9.383  -9.832  10.843
    7    HA   SER   2           HA       SER   2   6.875  -9.811   9.300
    8   1HB   SER   2          2HB       SER   2   8.909  -8.207   8.031
    9   2HB   SER   2          1HB       SER   2   7.281  -7.746   8.528
   10    HG   SER   2           HG       SER   2   9.707  -7.576   9.968
   11    H    ARG   3           H        ARG   3   7.832 -12.174   9.367
   12    HA   ARG   3           HA       ARG   3   9.895 -12.594   7.358
   13   1HB   ARG   3          2HB       ARG   3   9.256 -13.994   9.586
   14   2HB   ARG   3          1HB       ARG   3   8.350 -14.902   8.383
   15   1HG   ARG   3          2HG       ARG   3  11.178 -14.255   7.773
   16   2HG   ARG   3          1HG       ARG   3  10.855 -15.483   8.998
   17   1HD   ARG   3          2HD       ARG   3  10.804 -16.867   7.218
   18   2HD   ARG   3          1HD       ARG   3   9.150 -16.276   7.066
   19    HE   ARG   3           HE       ARG   3  10.918 -14.567   5.668
   20   1HH1  ARG   3          2HH1      ARG   3   9.382 -17.712   5.468
   21   2HH1  ARG   3          1HH1      ARG   3   9.494 -17.802   3.732
   22   1HH2  ARG   3          2HH2      ARG   3  11.049 -14.662   3.389
   23   2HH2  ARG   3          1HH2      ARG   3  10.484 -16.082   2.553
   24    H    LEU   4           H        LEU   4   8.472 -11.443   5.789
   25    HA   LEU   4           HA       LEU   4   6.582 -13.323   4.536
   26   1HB   LEU   4          2HB       LEU   4   6.136 -10.595   3.724
   27   2HB   LEU   4          1HB       LEU   4   5.010 -11.746   4.418
   28    HG   LEU   4           HG       LEU   4   6.873 -10.493   6.335
   29   1HD1  LEU   4          1HD1      LEU   4   6.562  -8.444   5.410
   30   2HD1  LEU   4          2HD1      LEU   4   5.065  -8.911   4.602
   31   3HD1  LEU   4          3HD1      LEU   4   5.058  -8.537   6.325
   32   1HD2  LEU   4          1HD2      LEU   4   5.150 -10.800   7.799
   33   2HD2  LEU   4          2HD2      LEU   4   3.909 -10.536   6.574
   34   3HD2  LEU   4          3HD2      LEU   4   4.782 -12.069   6.631
   35    HA   PRO   5           HA       PRO   5   9.441 -13.070   1.150
   36   1HB   PRO   5          2HB       PRO   5   7.359 -14.348  -0.453
   37   2HB   PRO   5          1HB       PRO   5   8.932 -14.977   0.037
   38   1HG   PRO   5          2HG       PRO   5   6.599 -15.922   1.036
   39   2HG   PRO   5          1HG       PRO   5   8.107 -15.903   1.966
   40   1HD   PRO   5          2HD       PRO   5   5.766 -14.046   2.108
   41   2HD   PRO   5          1HD       PRO   5   6.773 -14.701   3.417
   42    H    LYS   6           H        LYS   6   6.230 -12.979  -0.360
   43    HA   LYS   6           HA       LYS   6   6.440 -10.147  -0.867
   44   1HB   LYS   6          2HB       LYS   6   6.082 -10.484  -3.359
   45   2HB   LYS   6          1HB       LYS   6   7.700 -10.798  -2.755
   46   1HG   LYS   6          2HG       LYS   6   7.494 -13.097  -3.025
   47   2HG   LYS   6          1HG       LYS   6   5.731 -13.026  -3.083
   48   1HD   LYS   6          2HD       LYS   6   7.298 -11.600  -5.178
   49   2HD   LYS   6          1HD       LYS   6   7.144 -13.354  -5.276
   50   1HE   LYS   6          2HE       LYS   6   5.078 -13.181  -6.065
   51   2HE   LYS   6          1HE       LYS   6   4.593 -12.185  -4.693
   52   1HZ   LYS   6          1HZ       LYS   6   5.719 -10.299  -5.960
   53   2HZ   LYS   6          2HZ       LYS   6   4.223 -10.846  -6.545
   54   3HZ   LYS   6          3HZ       LYS   6   5.659 -11.322  -7.309
   55    H    LEU   7           H        LEU   7   4.553  -9.756   0.107
   56    HA   LEU   7           HA       LEU   7   2.227 -11.396  -0.398
   57   1HB   LEU   7          2HB       LEU   7   2.343  -8.808   1.144
   58   2HB   LEU   7          1HB       LEU   7   1.126 -10.064   1.257
   59    HG   LEU   7           HG       LEU   7   3.984 -10.241   2.210
   60   1HD1  LEU   7          1HD1      LEU   7   2.321  -8.905   3.546
   61   2HD1  LEU   7          2HD1      LEU   7   1.443 -10.413   3.800
   62   3HD1  LEU   7          3HD1      LEU   7   3.096 -10.246   4.393
   63   1HD2  LEU   7          1HD2      LEU   7   2.169 -12.370   3.007
   64   2HD2  LEU   7          2HD2      LEU   7   2.455 -12.333   1.267
   65   3HD2  LEU   7          3HD2      LEU   7   3.815 -12.460   2.383
   66    H    TYR   8           H        TYR   8   0.398  -9.065  -0.086
   67    HA   TYR   8           HA       TYR   8   0.316  -8.259  -2.910
   68   1HB   TYR   8          2HB       TYR   8  -1.831  -7.858  -0.819
   69   2HB   TYR   8          1HB       TYR   8  -2.004  -7.751  -2.569
   70    HD1  TYR   8           1HD      TYR   8  -2.332  -9.714  -3.899
   71    HD2  TYR   8           2HD      TYR   8  -1.569 -10.061   0.271
   72    HE1  TYR   8           1HE      TYR   8  -3.008 -12.077  -3.974
   73    HE2  TYR   8           2HE      TYR   8  -2.221 -12.428   0.201
   74    HH   TYR   8           HH       TYR   8  -2.694 -14.131  -2.740
   75    H    LEU   9           H        LEU   9   0.792  -6.237  -3.491
   76    HA   LEU   9           HA       LEU   9   1.572  -4.415  -1.357
   77   1HB   LEU   9          2HB       LEU   9   2.982  -5.211  -3.399
   78   2HB   LEU   9          1HB       LEU   9   2.093  -3.980  -4.272
   79    HG   LEU   9           HG       LEU   9   3.030  -2.235  -2.957
   80   1HD1  LEU   9          1HD1      LEU   9   4.880  -3.373  -1.244
   81   2HD1  LEU   9          2HD1      LEU   9   3.355  -2.609  -0.792
   82   3HD1  LEU   9          3HD1      LEU   9   3.430  -4.355  -1.029
   83   1HD2  LEU   9          1HD2      LEU   9   5.380  -4.046  -3.290
   84   2HD2  LEU   9          2HD2      LEU   9   4.452  -3.536  -4.702
   85   3HD2  LEU   9          3HD2      LEU   9   5.218  -2.330  -3.668
   86    H    CYS  10           H        CYS  10   0.741  -2.419  -1.017
   87    HA   CYS  10           HA       CYS  10  -1.459  -1.487  -2.671
   88   1HB   CYS  10          2HB       CYS  10  -1.963  -1.144  -0.363
   89   2HB   CYS  10          1HB       CYS  10  -0.342  -0.559  -0.014
   90    H    GLU  11           H        GLU  11  -1.192   0.198  -3.988
   91    HA   GLU  11           HA       GLU  11   1.518   0.922  -4.684
   92   1HB   GLU  11          2HB       GLU  11  -0.792   2.225  -6.028
   93   2HB   GLU  11          1HB       GLU  11   0.695   1.590  -6.716
   94   1HG   GLU  11          2HG       GLU  11  -0.457  -0.699  -5.900
   95   2HG   GLU  11          1HG       GLU  11  -1.890   0.274  -6.235
   96    H    PHE  12           H        PHE  12  -0.718   2.101  -2.549
   97    HA   PHE  12           HA       PHE  12   0.205   4.878  -2.850
   98   1HB   PHE  12          2HB       PHE  12  -2.150   3.997  -1.192
   99   2HB   PHE  12          1HB       PHE  12  -1.809   5.592  -1.855
  100    HD1  PHE  12           1HD      PHE  12  -2.197   6.056  -4.231
  101    HD2  PHE  12           2HD      PHE  12  -3.188   2.286  -2.517
  102    HE1  PHE  12           1HE      PHE  12  -3.587   5.531  -6.194
  103    HE2  PHE  12           2HE      PHE  12  -4.579   1.755  -4.475
  104    HZ   PHE  12           HZ       PHE  12  -4.783   3.379  -6.319
  105    H    CYS  13           H        CYS  13   0.081   2.154  -0.683
  106    HA   CYS  13           HA       CYS  13   1.393   3.709   1.451
  107   1HB   CYS  13          2HB       CYS  13   0.277   0.894   1.434
  108   2HB   CYS  13          1HB       CYS  13   1.100   1.629   2.803
  109    H    LEU  14           H        LEU  14   1.718   1.070  -0.761
  110    HA   LEU  14           HA       LEU  14   3.408  -0.222  -1.463
  111   1HB   LEU  14          2HB       LEU  14   5.145   1.873  -0.165
  112   2HB   LEU  14          1HB       LEU  14   5.760   0.535  -1.122
  113    HG   LEU  14           HG       LEU  14   3.692   2.194  -2.422
  114   1HD1  LEU  14          1HD1      LEU  14   6.450   3.311  -2.411
  115   2HD1  LEU  14          2HD1      LEU  14   4.911   4.092  -2.778
  116   3HD1  LEU  14          3HD1      LEU  14   5.338   3.727  -1.107
  117   1HD2  LEU  14          1HD2      LEU  14   4.496   0.690  -3.905
  118   2HD2  LEU  14          2HD2      LEU  14   5.665   1.978  -4.190
  119   3HD2  LEU  14          3HD2      LEU  14   6.087   0.619  -3.148
  120    H    LYS  15           H        LYS  15   1.999  -0.666   0.857
  121    HA   LYS  15           HA       LYS  15   3.929  -2.124   2.528
  122   1HB   LYS  15          2HB       LYS  15   1.758  -0.399   3.245
  123   2HB   LYS  15          1HB       LYS  15   1.369  -2.033   3.767
  124   1HG   LYS  15          2HG       LYS  15   2.525  -0.670   5.483
  125   2HG   LYS  15          1HG       LYS  15   3.365  -2.165   5.070
  126   1HD   LYS  15          2HD       LYS  15   5.128  -0.713   5.016
  127   2HD   LYS  15          1HD       LYS  15   4.587  -0.587   3.340
  128   1HE   LYS  15          2HE       LYS  15   4.623   1.630   3.774
  129   2HE   LYS  15          1HE       LYS  15   3.046   1.305   4.490
  130   1HZ   LYS  15          1HZ       LYS  15   5.409   0.987   6.184
  131   2HZ   LYS  15          2HZ       LYS  15   3.845   1.501   6.592
  132   3HZ   LYS  15          3HZ       LYS  15   4.913   2.566   5.811
  133    H    TYR  16           H        TYR  16   3.406  -4.279   3.066
  134    HA   TYR  16           HA       TYR  16   1.862  -5.551   0.963
  135   1HB   TYR  16          2HB       TYR  16   3.907  -6.483   2.946
  136   2HB   TYR  16          1HB       TYR  16   2.899  -7.650   2.096
  137    HD1  TYR  16           1HD      TYR  16   2.799  -7.294  -0.525
  138    HD2  TYR  16           2HD      TYR  16   5.919  -5.882   1.990
  139    HE1  TYR  16           1HE      TYR  16   4.305  -7.197  -2.463
  140    HE2  TYR  16           2HE      TYR  16   7.440  -5.787   0.059
  141    HH   TYR  16           HH       TYR  16   7.245  -5.573  -2.434
  142    H    MET  17           H        MET  17   0.000  -6.549   1.183
  143    HA   MET  17           HA       MET  17  -1.259  -6.655   3.834
  144   1HB   MET  17          2HB       MET  17  -2.685  -7.251   1.277
  145   2HB   MET  17          1HB       MET  17  -3.335  -6.610   2.775
  146   1HG   MET  17          2HG       MET  17  -1.372  -4.979   1.253
  147   2HG   MET  17          1HG       MET  17  -3.024  -5.103   0.656
  148   1HE   MET  17          1HE       MET  17  -1.529  -2.071   3.312
  149   2HE   MET  17          2HE       MET  17  -0.750  -3.115   2.122
  150   3HE   MET  17          3HE       MET  17  -2.014  -1.993   1.619
  151    H    LYS  18           H        LYS  18  -2.383  -8.579   4.497
  152    HA   LYS  18           HA       LYS  18  -0.824 -10.893   3.898
  153   1HB   LYS  18          2HB       LYS  18  -2.847 -10.129   5.886
  154   2HB   LYS  18          1HB       LYS  18  -2.850 -11.836   5.468
  155   1HG   LYS  18          2HG       LYS  18  -0.416 -10.308   6.363
  156   2HG   LYS  18          1HG       LYS  18  -1.429 -11.293   7.418
  157   1HD   LYS  18          2HD       LYS  18  -0.538 -13.213   6.674
  158   2HD   LYS  18          1HD       LYS  18  -0.543 -12.673   4.995
  159   1HE   LYS  18          2HE       LYS  18   1.592 -11.979   5.080
  160   2HE   LYS  18          1HE       LYS  18   1.402 -11.294   6.696
  161   1HZ   LYS  18          1HZ       LYS  18   2.772 -13.563   6.071
  162   2HZ   LYS  18          2HZ       LYS  18   1.315 -14.160   6.699
  163   3HZ   LYS  18          3HZ       LYS  18   2.268 -13.102   7.624
  164    H    SER  19           H        SER  19  -4.069  -9.855   3.015
  165    HA   SER  19           HA       SER  19  -4.221 -12.222   1.291
  166   1HB   SER  19          2HB       SER  19  -6.283 -12.869   2.019
  167   2HB   SER  19          1HB       SER  19  -5.737 -12.089   3.501
  168    HG   SER  19           HG       SER  19  -7.823 -11.398   2.904
  169    H    ARG  20           H        ARG  20  -5.625 -11.981  -0.555
  170    HA   ARG  20           HA       ARG  20  -5.190  -9.532  -1.890
  171   1HB   ARG  20          2HB       ARG  20  -5.546 -11.966  -2.801
  172   2HB   ARG  20          1HB       ARG  20  -7.244 -11.507  -2.802
  173   1HG   ARG  20          2HG       ARG  20  -6.856  -9.745  -4.337
  174   2HG   ARG  20          1HG       ARG  20  -5.109  -9.899  -4.167
  175   1HD   ARG  20          2HD       ARG  20  -6.340 -10.916  -6.239
  176   2HD   ARG  20          1HD       ARG  20  -5.010 -11.781  -5.472
  177    HE   ARG  20           HE       ARG  20  -7.846 -12.369  -4.874
  178   1HH1  ARG  20          2HH1      ARG  20  -4.590 -13.410  -5.691
  179   2HH1  ARG  20          1HH1      ARG  20  -4.974 -15.104  -5.545
  180   1HH2  ARG  20          2HH2      ARG  20  -8.318 -14.596  -4.653
  181   2HH2  ARG  20          1HH2      ARG  20  -7.068 -15.769  -4.943
  182    H    THR  21           H        THR  21  -8.006 -10.954  -0.289
  183    HA   THR  21           HA       THR  21  -9.806  -8.940  -1.175
  184    HB   THR  21           HB       THR  21 -10.100 -11.384   0.032
  185    HG1  THR  21           1HG      THR  21 -11.526  -9.880  -1.326
  186   1HG2  THR  21          1HG2      THR  21  -9.729 -10.504   2.262
  187   2HG2  THR  21          2HG2      THR  21 -11.417 -10.983   2.074
  188   3HG2  THR  21          3HG2      THR  21 -10.972  -9.279   2.009
  189    H    ILE  22           H        ILE  22  -7.537  -9.159   1.431
  190    HA   ILE  22           HA       ILE  22  -8.568  -7.026   3.019
  191    HB   ILE  22           HB       ILE  22  -5.921  -8.422   2.824
  192   1HG1  ILE  22          2HG1      ILE  22  -7.618  -7.861   5.247
  193   1HG2  ILE  22          1HG2      ILE  22  -4.759  -6.918   4.098
  194   2HG2  ILE  22          2HG2      ILE  22  -5.755  -5.816   3.147
  195   3HG2  ILE  22          3HG2      ILE  22  -6.218  -6.218   4.800
  196   1HD1  ILE  22          1HD1      ILE  22  -5.611 -10.009   4.609
  197   2HD1  ILE  22          2HD1      ILE  22  -5.481  -8.742   5.830
  198   3HD1  ILE  22          3HD1      ILE  22  -6.678 -10.023   6.015
  199    H    LEU  23           H        LEU  23  -6.222  -7.280   0.375
  200    HA   LEU  23           HA       LEU  23  -5.644  -4.487   0.298
  201   1HB   LEU  23          2HB       LEU  23  -4.068  -6.154  -0.570
  202   2HB   LEU  23          1HB       LEU  23  -5.223  -6.600  -1.811
  203    HG   LEU  23           HG       LEU  23  -5.062  -4.303  -2.742
  204   1HD1  LEU  23          1HD1      LEU  23  -3.005  -4.000  -0.572
  205   2HD1  LEU  23          2HD1      LEU  23  -3.069  -2.956  -1.991
  206   3HD1  LEU  23          3HD1      LEU  23  -4.430  -3.007  -0.872
  207   1HD2  LEU  23          1HD2      LEU  23  -2.327  -5.516  -2.530
  208   2HD2  LEU  23          2HD2      LEU  23  -3.623  -6.279  -3.453
  209   3HD2  LEU  23          3HD2      LEU  23  -3.054  -4.668  -3.896
  210    H    GLN  24           H        GLN  24  -7.972  -6.605  -1.230
  211    HA   GLN  24           HA       GLN  24  -8.868  -4.986  -3.306
  212   1HB   GLN  24          2HB       GLN  24 -10.011  -7.201  -1.710
  213   2HB   GLN  24          1HB       GLN  24 -11.179  -6.175  -2.532
  214   1HG   GLN  24          2HG       GLN  24 -10.534  -6.860  -4.601
  215   2HG   GLN  24          1HG       GLN  24  -8.871  -7.172  -4.105
  216   1HE2  GLN  24          1HE2      GLN  24  -8.867  -9.193  -5.085
  217   2HE2  GLN  24          2HE2      GLN  24  -9.715 -10.545  -4.404
  218    H    GLN  25           H        GLN  25 -10.053  -5.174   0.039
  219    HA   GLN  25           HA       GLN  25 -11.847  -2.965  -0.250
  220   1HB   GLN  25          2HB       GLN  25 -10.701  -4.034   2.329
  221   2HB   GLN  25          1HB       GLN  25 -12.205  -3.152   2.109
  222   1HG   GLN  25          2HG       GLN  25 -13.287  -4.981   1.165
  223   2HG   GLN  25          1HG       GLN  25 -11.772  -5.803   0.790
  224   1HE2  GLN  25          1HE2      GLN  25 -13.396  -7.413   1.921
  225   2HE2  GLN  25          2HE2      GLN  25 -13.108  -7.625   3.622
  226    H    HIS  26           H        HIS  26  -8.524  -3.373   0.781
  227    HA   HIS  26           HA       HIS  26  -8.160  -0.867   1.984
  228   1HB   HIS  26          2HB       HIS  26  -6.566  -2.701   2.297
  229   2HB   HIS  26          1HB       HIS  26  -6.123  -2.626   0.594
  230    HD1  HIS  26           1HD      HIS  26  -5.361  -1.099   3.885
  231    HD2  HIS  26           2HD      HIS  26  -4.682  -0.263  -0.144
  232    HE1  HIS  26           1HE      HIS  26  -3.663   0.794   3.803
  233    H    MET  27           H        MET  27  -7.372  -1.926  -1.333
  234    HA   MET  27           HA       MET  27  -6.338   0.545  -2.161
  235   1HB   MET  27          2HB       MET  27  -7.254  -1.927  -3.518
  236   2HB   MET  27          1HB       MET  27  -7.131  -0.477  -4.506
  237   1HG   MET  27          2HG       MET  27  -4.766  -0.469  -3.117
  238   2HG   MET  27          1HG       MET  27  -5.046  -2.184  -3.411
  239   1HE   MET  27          1HE       MET  27  -2.852  -2.487  -5.405
  240   2HE   MET  27          2HE       MET  27  -4.379  -3.318  -5.107
  241   3HE   MET  27          3HE       MET  27  -3.946  -2.825  -6.744
  242    H    LYS  28           H        LYS  28  -9.586  -0.626  -1.946
  243    HA   LYS  28           HA       LYS  28 -10.759   1.383  -3.611
  244   1HB   LYS  28          2HB       LYS  28 -11.698  -0.830  -1.918
  245   2HB   LYS  28          1HB       LYS  28 -12.790   0.547  -1.981
  246   1HG   LYS  28          2HG       LYS  28 -13.362  -1.093  -3.672
  247   2HG   LYS  28          1HG       LYS  28 -12.831   0.417  -4.416
  248   1HD   LYS  28          2HD       LYS  28 -10.491  -1.018  -4.169
  249   2HD   LYS  28          1HD       LYS  28 -11.682  -2.258  -4.574
  250   1HE   LYS  28          2HE       LYS  28 -12.018   0.130  -6.183
  251   2HE   LYS  28          1HE       LYS  28 -10.397  -0.545  -6.343
  252   1HZ   LYS  28          1HZ       LYS  28 -12.413  -1.373  -7.805
  253   2HZ   LYS  28          2HZ       LYS  28 -12.640  -2.410  -6.481
  254   3HZ   LYS  28          3HZ       LYS  28 -11.168  -2.418  -7.324
  255    H    LYS  29           H        LYS  29  -9.377   1.462  -0.564
  256    HA   LYS  29           HA       LYS  29 -10.947   3.822   0.198
  257   1HB   LYS  29          2HB       LYS  29 -10.646   1.828   1.815
  258   2HB   LYS  29          1HB       LYS  29  -9.005   2.429   2.014
  259   1HG   LYS  29          2HG       LYS  29 -10.763   4.628   2.310
  260   2HG   LYS  29          1HG       LYS  29 -11.389   3.301   3.291
  261   1HD   LYS  29          2HD       LYS  29  -9.824   3.674   4.822
  262   2HD   LYS  29          1HD       LYS  29  -8.564   3.412   3.616
  263   1HE   LYS  29          2HE       LYS  29  -8.304   5.594   4.649
  264   2HE   LYS  29          1HE       LYS  29  -8.728   5.767   2.946
  265   1HZ   LYS  29          1HZ       LYS  29 -11.068   5.716   4.543
  266   2HZ   LYS  29          2HZ       LYS  29 -10.509   6.938   3.506
  267   3HZ   LYS  29          3HZ       LYS  29 -10.004   6.901   5.124
  268    H    CYS  30           H        CYS  30  -7.714   2.572  -0.299
  269    HA   CYS  30           HA       CYS  30  -6.359   4.989   0.310
  270   1HB   CYS  30          2HB       CYS  30  -5.652   2.349  -0.169
  271   2HB   CYS  30          1HB       CYS  30  -4.969   3.217  -1.536
  272    H    GLY  31           H        GLY  31  -7.550   3.524  -2.679
  273   1HA   GLY  31          1HA       GLY  31  -6.500   5.715  -4.281
  274   2HA   GLY  31          2HA       GLY  31  -7.406   4.324  -4.870
  275    H    TRP  32           H        TRP  32  -8.412   6.451  -2.249
  276    HA   TRP  32           HA       TRP  32 -10.899   6.983  -3.625
  277   1HB   TRP  32          2HB       TRP  32 -10.002   6.974  -0.902
  278   2HB   TRP  32          1HB       TRP  32 -10.700   8.549  -1.267
  279    HD1  TRP  32           HD       TRP  32 -11.787   5.607   0.294
  280    HE1  TRP  32           1HE      TRP  32 -14.286   5.111  -0.060
  281    HE3  TRP  32           3HE      TRP  32 -12.673   8.689  -3.686
  282    HZ2  TRP  32           2HZ      TRP  32 -16.358   5.926  -1.785
  283    HZ3  TRP  32           3HZ      TRP  32 -14.946   8.773  -4.626
  284    HH2  TRP  32           HH       TRP  32 -16.749   7.420  -3.692
  285    H    PHE  33           H        PHE  33  -9.386   8.058  -5.308
  286    HA   PHE  33           HA       PHE  33  -9.843  10.872  -5.130
  287   1HB   PHE  33          2HB       PHE  33  -7.461  10.180  -4.035
  288   2HB   PHE  33          1HB       PHE  33  -6.985  10.340  -5.724
  289    HD1  PHE  33           1HD      PHE  33  -8.075  12.556  -6.852
  290    HD2  PHE  33           2HD      PHE  33  -7.145  12.023  -2.737
  291    HE1  PHE  33           1HE      PHE  33  -7.917  14.995  -6.575
  292    HE2  PHE  33           2HE      PHE  33  -6.983  14.459  -2.450
  293    HZ   PHE  33           HZ       PHE  33  -7.370  15.949  -4.371
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  12.249  -5.597  12.093
    2   2H    GLY   1          2H        GLY   1  12.511  -3.933  12.282
    3   3H    GLY   1          3H        GLY   1  13.286  -4.781  11.032
    4   1HA   GLY   1          2HA       GLY   1  10.525  -3.850  11.221
    5   2HA   GLY   1          1HA       GLY   1  11.619  -3.833   9.845
    6    H    SER   2           H        SER   2   9.148  -4.635   9.324
    7    HA   SER   2           HA       SER   2   8.669  -7.411   9.698
    8   1HB   SER   2          2HB       SER   2   7.317  -6.447   7.377
    9   2HB   SER   2          1HB       SER   2   6.651  -6.754   8.982
   10    HG   SER   2           HG       SER   2   6.878  -4.680   9.509
   11    H    ARG   3           H        ARG   3   8.922  -9.125   8.279
   12    HA   ARG   3           HA       ARG   3  10.710  -8.629   5.986
   13   1HB   ARG   3          2HB       ARG   3  11.245 -10.133   8.319
   14   2HB   ARG   3          1HB       ARG   3  11.005 -11.294   7.020
   15   1HG   ARG   3          2HG       ARG   3  12.621  -9.419   5.846
   16   2HG   ARG   3          1HG       ARG   3  13.214  -9.462   7.507
   17   1HD   ARG   3          2HD       ARG   3  13.980 -11.586   7.322
   18   2HD   ARG   3          1HD       ARG   3  12.680 -12.075   6.238
   19    HE   ARG   3           HE       ARG   3  14.620 -10.259   5.082
   20   1HH1  ARG   3          2HH1      ARG   3  13.671 -13.601   5.596
   21   2HH1  ARG   3          1HH1      ARG   3  14.645 -14.212   4.287
   22   1HH2  ARG   3          2HH2      ARG   3  15.904 -11.062   3.358
   23   2HH2  ARG   3          1HH2      ARG   3  15.942 -12.775   3.046
   24    H    LEU   4           H        LEU   4   8.314  -8.484   5.199
   25    HA   LEU   4           HA       LEU   4   7.022 -11.019   4.743
   26   1HB   LEU   4          2HB       LEU   4   6.396  -8.397   3.401
   27   2HB   LEU   4          1HB       LEU   4   5.332  -9.775   3.613
   28    HG   LEU   4           HG       LEU   4   6.168  -8.904   6.197
   29   1HD1  LEU   4          1HD1      LEU   4   5.039  -6.634   6.079
   30   2HD1  LEU   4          2HD1      LEU   4   6.671  -6.744   5.418
   31   3HD1  LEU   4          3HD1      LEU   4   5.281  -6.721   4.334
   32   1HD2  LEU   4          1HD2      LEU   4   3.826  -9.682   4.794
   33   2HD2  LEU   4          2HD2      LEU   4   4.080  -9.561   6.535
   34   3HD2  LEU   4          3HD2      LEU   4   3.489  -8.167   5.631
   35    HA   PRO   5           HA       PRO   5   9.415 -11.852   1.102
   36   1HB   PRO   5          2HB       PRO   5   8.121 -14.121   0.350
   37   2HB   PRO   5          1HB       PRO   5   9.289 -14.060   1.669
   38   1HG   PRO   5          2HG       PRO   5   6.318 -14.140   1.763
   39   2HG   PRO   5          1HG       PRO   5   7.498 -14.867   2.864
   40   1HD   PRO   5          2HD       PRO   5   6.095 -12.550   3.364
   41   2HD   PRO   5          1HD       PRO   5   7.628 -12.989   4.138
   42    H    LYS   6           H        LYS   6   6.455 -13.324  -0.029
   43    HA   LYS   6           HA       LYS   6   6.113 -11.086  -1.904
   44   1HB   LYS   6          2HB       LYS   6   5.124 -12.777  -3.488
   45   2HB   LYS   6          1HB       LYS   6   6.851 -12.935  -3.210
   46   1HG   LYS   6          2HG       LYS   6   6.563 -15.051  -2.658
   47   2HG   LYS   6          1HG       LYS   6   5.533 -14.562  -1.311
   48   1HD   LYS   6          2HD       LYS   6   3.821 -15.534  -2.343
   49   2HD   LYS   6          1HD       LYS   6   3.955 -14.317  -3.615
   50   1HE   LYS   6          2HE       LYS   6   5.838 -15.906  -4.508
   51   2HE   LYS   6          1HE       LYS   6   4.999 -17.113  -3.531
   52   1HZ   LYS   6          1HZ       LYS   6   4.168 -17.138  -5.777
   53   2HZ   LYS   6          2HZ       LYS   6   3.812 -15.483  -5.712
   54   3HZ   LYS   6          3HZ       LYS   6   2.953 -16.573  -4.740
   55    H    LEU   7           H        LEU   7   4.363  -9.981  -1.506
   56    HA   LEU   7           HA       LEU   7   1.930 -11.377  -0.632
   57   1HB   LEU   7          2HB       LEU   7   3.420  -9.262   0.805
   58   2HB   LEU   7          1HB       LEU   7   1.690  -9.039   0.712
   59    HG   LEU   7           HG       LEU   7   1.865 -10.149   2.708
   60   1HD1  LEU   7          1HD1      LEU   7   0.497 -11.456   0.985
   61   2HD1  LEU   7          2HD1      LEU   7   1.841 -12.598   0.973
   62   3HD1  LEU   7          3HD1      LEU   7   0.960 -12.286   2.469
   63   1HD2  LEU   7          1HD2      LEU   7   4.291 -11.362   1.505
   64   2HD2  LEU   7          2HD2      LEU   7   4.065 -10.605   3.082
   65   3HD2  LEU   7          3HD2      LEU   7   3.477 -12.244   2.797
   66    H    TYR   8           H        TYR   8   0.509  -8.895  -0.270
   67    HA   TYR   8           HA       TYR   8   0.444  -7.894  -3.041
   68   1HB   TYR   8          2HB       TYR   8  -2.057  -7.993  -1.400
   69   2HB   TYR   8          1HB       TYR   8  -1.857  -8.127  -3.151
   70    HD1  TYR   8           1HD      TYR   8  -2.081  -9.922  -0.020
   71    HD2  TYR   8           2HD      TYR   8  -1.021 -10.273  -4.122
   72    HE1  TYR   8           1HE      TYR   8  -2.130 -12.370   0.184
   73    HE2  TYR   8           2HE      TYR   8  -1.071 -12.720  -3.933
   74    HH   TYR   8           HH       TYR   8  -0.776 -14.351  -1.354
   75    H    LEU   9           H        LEU   9   1.242  -5.899  -2.912
   76    HA   LEU   9           HA       LEU   9   0.827  -4.358  -0.479
   77   1HB   LEU   9          2HB       LEU   9   2.616  -2.961  -1.231
   78   2HB   LEU   9          1HB       LEU   9   3.094  -4.628  -1.415
   79    HG   LEU   9           HG       LEU   9   1.882  -3.558  -3.821
   80   1HD1  LEU   9          1HD1      LEU   9   4.391  -2.274  -2.753
   81   2HD1  LEU   9          2HD1      LEU   9   3.819  -2.146  -4.416
   82   3HD1  LEU   9          3HD1      LEU   9   2.860  -1.471  -3.099
   83   1HD2  LEU   9          1HD2      LEU   9   3.879  -5.376  -2.902
   84   2HD2  LEU   9          2HD2      LEU   9   3.088  -5.296  -4.478
   85   3HD2  LEU   9          3HD2      LEU   9   4.542  -4.345  -4.171
   86    H    CYS  10           H        CYS  10   0.330  -2.114  -0.589
   87    HA   CYS  10           HA       CYS  10  -1.757  -1.475  -2.457
   88   1HB   CYS  10          2HB       CYS  10  -2.249  -0.845  -0.218
   89   2HB   CYS  10          1HB       CYS  10  -0.640  -0.182   0.035
   90    H    GLU  11           H        GLU  11  -1.563   0.107  -3.943
   91    HA   GLU  11           HA       GLU  11   1.061   0.655  -4.937
   92   1HB   GLU  11          2HB       GLU  11  -1.642   1.675  -5.829
   93   2HB   GLU  11          1HB       GLU  11  -0.137   1.964  -6.692
   94   1HG   GLU  11          2HG       GLU  11  -1.310  -0.752  -6.135
   95   2HG   GLU  11          1HG       GLU  11  -1.475   0.134  -7.649
   96    H    PHE  12           H        PHE  12  -0.879   2.143  -2.631
   97    HA   PHE  12           HA       PHE  12   0.476   4.727  -3.034
   98   1HB   PHE  12          2HB       PHE  12  -1.948   4.360  -1.297
   99   2HB   PHE  12          1HB       PHE  12  -1.366   5.823  -2.087
  100    HD1  PHE  12           1HD      PHE  12  -1.560   5.995  -4.593
  101    HD2  PHE  12           2HD      PHE  12  -3.517   2.973  -2.335
  102    HE1  PHE  12           1HE      PHE  12  -3.096   5.592  -6.472
  103    HE2  PHE  12           2HE      PHE  12  -5.058   2.556  -4.208
  104    HZ   PHE  12           HZ       PHE  12  -4.847   3.871  -6.280
  105    H    CYS  13           H        CYS  13  -0.041   2.103  -0.808
  106    HA   CYS  13           HA       CYS  13   1.444   3.533   1.298
  107   1HB   CYS  13          2HB       CYS  13  -0.144   0.956   1.412
  108   2HB   CYS  13          1HB       CYS  13   0.736   1.653   2.767
  109    H    LEU  14           H        LEU  14   1.430   0.757  -0.787
  110    HA   LEU  14           HA       LEU  14   2.957  -0.749  -1.407
  111   1HB   LEU  14          2HB       LEU  14   4.966   1.190  -0.264
  112   2HB   LEU  14          1HB       LEU  14   5.319  -0.132  -1.364
  113    HG   LEU  14           HG       LEU  14   3.268   1.547  -2.482
  114   1HD1  LEU  14          1HD1      LEU  14   5.678   3.161  -2.521
  115   2HD1  LEU  14          2HD1      LEU  14   3.997   3.630  -2.262
  116   3HD1  LEU  14          3HD1      LEU  14   4.963   3.037  -0.912
  117   1HD2  LEU  14          1HD2      LEU  14   4.819   1.654  -4.353
  118   2HD2  LEU  14          2HD2      LEU  14   6.094   0.961  -3.348
  119   3HD2  LEU  14          3HD2      LEU  14   4.665   0.006  -3.746
  120    H    LYS  15           H        LYS  15   1.723  -0.833   1.185
  121    HA   LYS  15           HA       LYS  15   3.695  -2.289   2.788
  122   1HB   LYS  15          2HB       LYS  15   2.390  -0.580   3.964
  123   2HB   LYS  15          1HB       LYS  15   0.896  -1.353   3.455
  124   1HG   LYS  15          2HG       LYS  15   1.149  -2.076   5.637
  125   2HG   LYS  15          1HG       LYS  15   1.800  -3.421   4.696
  126   1HD   LYS  15          2HD       LYS  15   3.473  -3.194   6.231
  127   2HD   LYS  15          1HD       LYS  15   4.054  -2.064   5.007
  128   1HE   LYS  15          2HE       LYS  15   2.254  -0.676   6.714
  129   2HE   LYS  15          1HE       LYS  15   3.400  -1.557   7.725
  130   1HZ   LYS  15          1HZ       LYS  15   4.159   0.689   7.131
  131   2HZ   LYS  15          2HZ       LYS  15   4.165   0.250   5.493
  132   3HZ   LYS  15          3HZ       LYS  15   5.215  -0.520   6.581
  133    H    TYR  16           H        TYR  16   3.754  -4.415   2.617
  134    HA   TYR  16           HA       TYR  16   2.073  -5.885   0.961
  135   1HB   TYR  16          2HB       TYR  16   4.021  -6.704   3.107
  136   2HB   TYR  16          1HB       TYR  16   3.142  -7.890   2.146
  137    HD1  TYR  16           1HD      TYR  16   3.481  -5.361  -0.080
  138    HD2  TYR  16           2HD      TYR  16   5.915  -8.169   1.978
  139    HE1  TYR  16           1HE      TYR  16   5.173  -5.166  -1.841
  140    HE2  TYR  16           2HE      TYR  16   7.626  -7.984   0.221
  141    HH   TYR  16           HH       TYR  16   7.267  -5.684  -2.464
  142    H    MET  17           H        MET  17   0.068  -6.495   1.223
  143    HA   MET  17           HA       MET  17  -1.047  -6.848   3.910
  144   1HB   MET  17          2HB       MET  17  -2.353  -6.735   1.183
  145   2HB   MET  17          1HB       MET  17  -3.224  -7.069   2.667
  146   1HG   MET  17          2HG       MET  17  -1.656  -4.560   2.147
  147   2HG   MET  17          1HG       MET  17  -3.391  -4.725   1.901
  148   1HE   MET  17          1HE       MET  17  -2.552  -2.540   3.169
  149   2HE   MET  17          2HE       MET  17  -3.359  -2.397   4.732
  150   3HE   MET  17          3HE       MET  17  -1.618  -2.662   4.661
  151    H    LYS  18           H        LYS  18  -1.972  -8.832   4.530
  152    HA   LYS  18           HA       LYS  18  -0.492 -11.036   3.463
  153   1HB   LYS  18          2HB       LYS  18  -2.628 -11.066   5.595
  154   2HB   LYS  18          1HB       LYS  18  -1.424 -12.312   5.297
  155   1HG   LYS  18          2HG       LYS  18  -0.870  -9.503   6.233
  156   2HG   LYS  18          1HG       LYS  18  -0.831 -10.963   7.225
  157   1HD   LYS  18          2HD       LYS  18   0.881 -10.667   4.776
  158   2HD   LYS  18          1HD       LYS  18   1.401 -10.059   6.348
  159   1HE   LYS  18          2HE       LYS  18   0.498 -12.648   6.837
  160   2HE   LYS  18          1HE       LYS  18   1.389 -12.760   5.320
  161   1HZ   LYS  18          1HZ       LYS  18   2.613 -11.271   7.525
  162   2HZ   LYS  18          2HZ       LYS  18   3.341 -12.205   6.311
  163   3HZ   LYS  18          3HZ       LYS  18   2.591 -12.963   7.627
  164    H    SER  19           H        SER  19  -3.708  -9.852   3.024
  165    HA   SER  19           HA       SER  19  -4.283 -12.217   1.374
  166   1HB   SER  19          2HB       SER  19  -6.537 -10.804   2.730
  167   2HB   SER  19          1HB       SER  19  -6.404 -12.493   2.235
  168    HG   SER  19           HG       SER  19  -4.886 -12.768   3.970
  169    H    ARG  20           H        ARG  20  -5.290 -11.851  -0.558
  170    HA   ARG  20           HA       ARG  20  -5.042  -9.320  -1.784
  171   1HB   ARG  20          2HB       ARG  20  -5.902 -11.988  -2.511
  172   2HB   ARG  20          1HB       ARG  20  -6.952 -10.777  -3.232
  173   1HG   ARG  20          2HG       ARG  20  -5.010  -9.677  -4.223
  174   2HG   ARG  20          1HG       ARG  20  -3.954 -10.893  -3.497
  175   1HD   ARG  20          2HD       ARG  20  -5.772 -11.092  -5.824
  176   2HD   ARG  20          1HD       ARG  20  -4.199 -11.836  -5.547
  177    HE   ARG  20           HE       ARG  20  -5.285 -13.532  -4.239
  178   1HH1  ARG  20          2HH1      ARG  20  -7.429 -11.413  -6.016
  179   2HH1  ARG  20          1HH1      ARG  20  -8.773 -12.516  -5.985
  180   1HH2  ARG  20          2HH2      ARG  20  -7.055 -14.992  -4.170
  181   2HH2  ARG  20          1HH2      ARG  20  -8.557 -14.551  -4.931
  182    H    THR  21           H        THR  21  -7.731 -11.000  -0.279
  183    HA   THR  21           HA       THR  21  -9.847  -9.338  -0.997
  184    HB   THR  21           HB       THR  21 -10.500 -10.114   1.544
  185    HG1  THR  21           1HG      THR  21  -9.370 -11.862   2.116
  186   1HG2  THR  21          1HG2      THR  21 -10.572 -12.058  -0.751
  187   2HG2  THR  21          2HG2      THR  21 -11.587 -10.616  -0.720
  188   3HG2  THR  21          3HG2      THR  21 -11.751 -11.836   0.541
  189    H    ILE  22           H        ILE  22  -7.574  -9.123   1.696
  190    HA   ILE  22           HA       ILE  22  -8.730  -6.863   2.955
  191    HB   ILE  22           HB       ILE  22  -6.100  -8.280   3.139
  192   1HG1  ILE  22          2HG1      ILE  22  -7.910  -7.526   5.404
  193   1HG2  ILE  22          1HG2      ILE  22  -4.960  -6.561   3.945
  194   2HG2  ILE  22          2HG2      ILE  22  -6.310  -5.503   3.526
  195   3HG2  ILE  22          3HG2      ILE  22  -6.227  -6.235   5.129
  196   1HD1  ILE  22          1HD1      ILE  22  -6.336  -8.712   6.440
  197   2HD1  ILE  22          2HD1      ILE  22  -7.185 -10.104   5.761
  198   3HD1  ILE  22          3HD1      ILE  22  -5.767  -9.452   4.943
  199    H    LEU  23           H        LEU  23  -6.014  -7.263   0.706
  200    HA   LEU  23           HA       LEU  23  -5.239  -4.570   0.621
  201   1HB   LEU  23          2HB       LEU  23  -4.165  -6.814  -0.294
  202   2HB   LEU  23          1HB       LEU  23  -4.940  -6.308  -1.779
  203    HG   LEU  23           HG       LEU  23  -2.436  -5.503  -0.745
  204   1HD1  LEU  23          1HD1      LEU  23  -4.056  -4.643  -3.125
  205   2HD1  LEU  23          2HD1      LEU  23  -2.349  -4.263  -2.884
  206   3HD1  LEU  23          3HD1      LEU  23  -2.864  -5.942  -3.048
  207   1HD2  LEU  23          1HD2      LEU  23  -2.781  -2.992  -1.025
  208   2HD2  LEU  23          2HD2      LEU  23  -4.492  -3.311  -0.741
  209   3HD2  LEU  23          3HD2      LEU  23  -3.301  -3.710   0.499
  210    H    GLN  24           H        GLN  24  -7.538  -6.398  -1.349
  211    HA   GLN  24           HA       GLN  24  -8.029  -4.405  -3.256
  212   1HB   GLN  24          2HB       GLN  24  -9.190  -6.953  -2.499
  213   2HB   GLN  24          1HB       GLN  24 -10.424  -5.801  -2.996
  214   1HG   GLN  24          2HG       GLN  24  -8.025  -6.687  -4.581
  215   2HG   GLN  24          1HG       GLN  24  -9.716  -7.072  -4.901
  216   1HE2  GLN  24          1HE2      GLN  24  -7.189  -4.782  -5.254
  217   2HE2  GLN  24          2HE2      GLN  24  -8.073  -3.603  -6.168
  218    H    GLN  25           H        GLN  25  -9.822  -5.195  -0.272
  219    HA   GLN  25           HA       GLN  25 -11.669  -3.059  -0.529
  220   1HB   GLN  25          2HB       GLN  25 -12.492  -3.672   1.557
  221   2HB   GLN  25          1HB       GLN  25 -11.813  -5.177   0.956
  222   1HG   GLN  25          2HG       GLN  25  -9.691  -4.419   2.258
  223   2HG   GLN  25          1HG       GLN  25 -10.828  -3.380   3.116
  224   1HE2  GLN  25          1HE2      GLN  25 -10.813  -6.726   1.928
  225   2HE2  GLN  25          2HE2      GLN  25 -11.371  -7.429   3.409
  226    H    HIS  26           H        HIS  26  -8.412  -3.211   0.553
  227    HA   HIS  26           HA       HIS  26  -8.460  -0.780   2.078
  228   1HB   HIS  26          2HB       HIS  26  -6.730  -2.332   2.642
  229   2HB   HIS  26          1HB       HIS  26  -6.210  -2.473   0.966
  230    HD1  HIS  26           1HD      HIS  26  -5.666  -0.486   4.050
  231    HD2  HIS  26           2HD      HIS  26  -4.826  -0.164  -0.026
  232    HE1  HIS  26           1HE      HIS  26  -4.034   1.449   3.785
  233    H    MET  27           H        MET  27  -7.165  -1.690  -1.118
  234    HA   MET  27           HA       MET  27  -6.316   0.890  -1.796
  235   1HB   MET  27          2HB       MET  27  -6.742  -1.649  -3.268
  236   2HB   MET  27          1HB       MET  27  -6.632  -0.179  -4.228
  237   1HG   MET  27          2HG       MET  27  -4.470   0.326  -3.146
  238   2HG   MET  27          1HG       MET  27  -4.574  -1.208  -2.285
  239   1HE   MET  27          1HE       MET  27  -3.874  -0.632  -6.794
  240   2HE   MET  27          2HE       MET  27  -5.502  -0.421  -6.147
  241   3HE   MET  27          3HE       MET  27  -4.195   0.630  -5.604
  242    H    LYS  28           H        LYS  28  -9.444  -0.473  -1.816
  243    HA   LYS  28           HA       LYS  28 -10.614   1.211  -3.788
  244   1HB   LYS  28          2HB       LYS  28 -11.540  -0.754  -1.834
  245   2HB   LYS  28          1HB       LYS  28 -12.663   0.583  -2.051
  246   1HG   LYS  28          2HG       LYS  28 -13.204  -1.248  -3.540
  247   2HG   LYS  28          1HG       LYS  28 -12.694   0.170  -4.457
  248   1HD   LYS  28          2HD       LYS  28 -10.359  -1.296  -3.948
  249   2HD   LYS  28          1HD       LYS  28 -11.581  -2.477  -4.426
  250   1HE   LYS  28          2HE       LYS  28 -12.082  -0.736  -6.317
  251   2HE   LYS  28          1HE       LYS  28 -10.441  -0.195  -5.969
  252   1HZ   LYS  28          1HZ       LYS  28 -10.715  -3.051  -6.253
  253   2HZ   LYS  28          2HZ       LYS  28  -9.561  -2.001  -6.912
  254   3HZ   LYS  28          3HZ       LYS  28 -11.072  -2.182  -7.665
  255    H    LYS  29           H        LYS  29  -9.760   1.626  -0.453
  256    HA   LYS  29           HA       LYS  29 -11.251   4.141  -0.335
  257   1HB   LYS  29          2HB       LYS  29 -11.120   4.074   1.972
  258   2HB   LYS  29          1HB       LYS  29 -11.242   2.371   1.559
  259   1HG   LYS  29          2HG       LYS  29  -9.288   1.922   2.493
  260   2HG   LYS  29          1HG       LYS  29  -8.492   3.237   1.626
  261   1HD   LYS  29          2HD       LYS  29  -8.338   4.344   3.543
  262   2HD   LYS  29          1HD       LYS  29 -10.099   4.448   3.583
  263   1HE   LYS  29          2HE       LYS  29 -10.255   2.949   5.229
  264   2HE   LYS  29          1HE       LYS  29  -9.113   1.855   4.449
  265   1HZ   LYS  29          1HZ       LYS  29  -8.172   2.517   6.495
  266   2HZ   LYS  29          2HZ       LYS  29  -8.489   4.160   6.208
  267   3HZ   LYS  29          3HZ       LYS  29  -7.315   3.350   5.291
  268    H    CYS  30           H        CYS  30  -8.056   2.834  -0.508
  269    HA   CYS  30           HA       CYS  30  -6.673   5.237   0.129
  270   1HB   CYS  30          2HB       CYS  30  -5.965   2.606  -0.127
  271   2HB   CYS  30          1HB       CYS  30  -5.291   3.297  -1.597
  272    H    GLY  31           H        GLY  31  -7.877   3.774  -2.814
  273   1HA   GLY  31          1HA       GLY  31  -6.478   5.559  -4.577
  274   2HA   GLY  31          2HA       GLY  31  -7.738   4.416  -5.026
  275    H    TRP  32           H        TRP  32  -7.667   7.223  -2.853
  276    HA   TRP  32           HA       TRP  32 -10.008   8.287  -4.273
  277   1HB   TRP  32          2HB       TRP  32  -9.163   8.269  -1.446
  278   2HB   TRP  32          1HB       TRP  32  -9.816   9.803  -2.017
  279    HD1  TRP  32           HD       TRP  32 -10.819   6.123  -1.547
  280    HE1  TRP  32           1HE      TRP  32 -13.388   5.967  -1.531
  281    HE3  TRP  32           3HE      TRP  32 -11.919  10.974  -2.717
  282    HZ2  TRP  32           2HZ      TRP  32 -15.584   7.687  -1.957
  283    HZ3  TRP  32           3HZ      TRP  32 -14.282  11.639  -2.894
  284    HH2  TRP  32           HH       TRP  32 -16.076  10.028  -2.517
  285    H    PHE  33           H        PHE  33  -9.645  10.912  -3.120
  286    HA   PHE  33           HA       PHE  33  -7.099  11.885  -4.062
  287   1HB   PHE  33          2HB       PHE  33  -9.427  11.976  -5.768
  288   2HB   PHE  33          1HB       PHE  33  -8.920  13.614  -5.348
  289    HD1  PHE  33           1HD      PHE  33  -8.346  10.821  -7.458
  290    HD2  PHE  33           2HD      PHE  33  -6.435  14.185  -5.684
  291    HE1  PHE  33           1HE      PHE  33  -6.569  10.701  -9.154
  292    HE2  PHE  33           2HE      PHE  33  -4.651  14.068  -7.376
  293    HZ   PHE  33           HZ       PHE  33  -4.720  12.327  -9.114
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  18.750  -5.362   0.884
    2   2H    GLY   1          2H        GLY   1  17.314  -5.528   1.774
    3   3H    GLY   1          3H        GLY   1  17.465  -4.287   0.628
    4   1HA   GLY   1          2HA       GLY   1  17.075  -5.627  -1.128
    5   2HA   GLY   1          1HA       GLY   1  17.855  -6.998  -0.353
    6    H    SER   2           H        SER   2  16.387  -8.580  -0.363
    7    HA   SER   2           HA       SER   2  13.628  -7.925   0.392
    8   1HB   SER   2          2HB       SER   2  14.657 -10.512  -0.793
    9   2HB   SER   2          1HB       SER   2  12.978  -9.988  -0.661
   10    HG   SER   2           HG       SER   2  14.998  -8.702  -2.215
   11    H    ARG   3           H        ARG   3  13.749  -7.850   2.620
   12    HA   ARG   3           HA       ARG   3  14.781 -10.175   4.058
   13   1HB   ARG   3          2HB       ARG   3  15.143  -7.839   4.920
   14   2HB   ARG   3          1HB       ARG   3  13.406  -7.725   5.179
   15   1HG   ARG   3          2HG       ARG   3  13.671  -8.630   7.176
   16   2HG   ARG   3          1HG       ARG   3  14.269 -10.106   6.417
   17   1HD   ARG   3          2HD       ARG   3  16.196  -7.883   6.627
   18   2HD   ARG   3          1HD       ARG   3  15.695  -8.612   8.152
   19    HE   ARG   3           HE       ARG   3  17.191  -9.903   5.992
   20   1HH1  ARG   3          2HH1      ARG   3  15.692 -10.120   9.160
   21   2HH1  ARG   3          1HH1      ARG   3  16.493 -11.604   9.580
   22   1HH2  ARG   3          2HH2      ARG   3  18.246 -11.849   6.542
   23   2HH2  ARG   3          1HH2      ARG   3  17.946 -12.594   8.084
   24    H    LEU   4           H        LEU   4  11.837  -8.584   3.142
   25    HA   LEU   4           HA       LEU   4  10.199 -10.710   4.333
   26   1HB   LEU   4          2HB       LEU   4   9.408  -8.425   4.702
   27   2HB   LEU   4          1HB       LEU   4   9.443  -8.109   2.979
   28    HG   LEU   4           HG       LEU   4   7.761 -10.382   3.535
   29   1HD1  LEU   4          1HD1      LEU   4   6.019  -8.653   4.601
   30   2HD1  LEU   4          2HD1      LEU   4   7.032  -9.724   5.570
   31   3HD1  LEU   4          3HD1      LEU   4   7.510  -8.045   5.320
   32   1HD2  LEU   4          1HD2      LEU   4   6.294  -9.299   2.100
   33   2HD2  LEU   4          2HD2      LEU   4   6.850  -7.696   2.580
   34   3HD2  LEU   4          3HD2      LEU   4   7.870  -8.714   1.563
   35    HA   PRO   5           HA       PRO   5  10.240 -12.852   0.461
   36   1HB   PRO   5          2HB       PRO   5   7.808 -14.136   0.672
   37   2HB   PRO   5          1HB       PRO   5   9.302 -14.688   1.435
   38   1HG   PRO   5          2HG       PRO   5   7.028 -13.146   2.609
   39   2HG   PRO   5          1HG       PRO   5   7.987 -14.454   3.327
   40   1HD   PRO   5          2HD       PRO   5   8.390 -11.871   3.967
   41   2HD   PRO   5          1HD       PRO   5   9.727 -13.037   3.884
   42    H    LYS   6           H        LYS   6   6.769 -12.565   0.716
   43    HA   LYS   6           HA       LYS   6   6.522 -10.223  -0.854
   44   1HB   LYS   6          2HB       LYS   6   5.484 -11.237  -2.854
   45   2HB   LYS   6          1HB       LYS   6   7.183 -11.648  -2.702
   46   1HG   LYS   6          2HG       LYS   6   6.509 -13.735  -3.119
   47   2HG   LYS   6          1HG       LYS   6   5.997 -13.746  -1.432
   48   1HD   LYS   6          2HD       LYS   6   4.303 -14.517  -3.185
   49   2HD   LYS   6          1HD       LYS   6   3.757 -13.351  -1.981
   50   1HE   LYS   6          2HE       LYS   6   2.994 -12.178  -3.725
   51   2HE   LYS   6          1HE       LYS   6   4.678 -11.728  -3.986
   52   1HZ   LYS   6          1HZ       LYS   6   4.883 -13.640  -5.490
   53   2HZ   LYS   6          2HZ       LYS   6   3.715 -12.529  -6.018
   54   3HZ   LYS   6          3HZ       LYS   6   3.232 -13.980  -5.286
   55    H    LEU   7           H        LEU   7   4.377  -9.550  -1.073
   56    HA   LEU   7           HA       LEU   7   2.300 -11.236   0.108
   57   1HB   LEU   7          2HB       LEU   7   3.331  -8.725   1.273
   58   2HB   LEU   7          1HB       LEU   7   1.595  -8.830   1.154
   59    HG   LEU   7           HG       LEU   7   1.876  -9.652   3.255
   60   1HD1  LEU   7          1HD1      LEU   7   2.504 -12.262   1.940
   61   2HD1  LEU   7          2HD1      LEU   7   1.409 -11.916   3.278
   62   3HD1  LEU   7          3HD1      LEU   7   0.968 -11.452   1.635
   63   1HD2  LEU   7          1HD2      LEU   7   4.586 -10.073   2.365
   64   2HD2  LEU   7          2HD2      LEU   7   3.963  -9.778   3.989
   65   3HD2  LEU   7          3HD2      LEU   7   4.018 -11.421   3.350
   66    H    TYR   8           H        TYR   8   0.829  -8.521   0.176
   67    HA   TYR   8           HA       TYR   8   0.367  -8.287  -2.720
   68   1HB   TYR   8          2HB       TYR   8  -1.698  -8.086  -0.509
   69   2HB   TYR   8          1HB       TYR   8  -2.006  -7.839  -2.230
   70    HD1  TYR   8           1HD      TYR   8  -2.460  -9.664  -3.642
   71    HD2  TYR   8           2HD      TYR   8  -0.900 -10.360   0.249
   72    HE1  TYR   8           1HE      TYR   8  -2.827 -12.072  -3.929
   73    HE2  TYR   8           2HE      TYR   8  -1.256 -12.762  -0.023
   74    HH   TYR   8           HH       TYR   8  -2.261 -14.353  -1.285
   75    H    LEU   9           H        LEU   9   1.673  -6.562  -2.979
   76    HA   LEU   9           HA       LEU   9   1.795  -4.402  -1.161
   77   1HB   LEU   9          2HB       LEU   9   3.605  -5.176  -2.726
   78   2HB   LEU   9          1HB       LEU   9   2.704  -4.434  -4.033
   79    HG   LEU   9           HG       LEU   9   3.033  -2.244  -3.123
   80   1HD1  LEU   9          1HD1      LEU   9   2.805  -2.854  -0.745
   81   2HD1  LEU   9          2HD1      LEU   9   4.424  -3.553  -0.791
   82   3HD1  LEU   9          3HD1      LEU   9   4.204  -1.824  -1.051
   83   1HD2  LEU   9          1HD2      LEU   9   4.852  -2.976  -4.464
   84   2HD2  LEU   9          2HD2      LEU   9   5.543  -2.161  -3.061
   85   3HD2  LEU   9          3HD2      LEU   9   5.529  -3.922  -3.138
   86    H    CYS  10           H        CYS  10   0.501  -2.745  -0.930
   87    HA   CYS  10           HA       CYS  10  -1.755  -2.237  -2.492
   88   1HB   CYS  10          2HB       CYS  10  -2.133  -1.207  -0.538
   89   2HB   CYS  10          1HB       CYS  10  -0.419  -1.111  -0.175
   90    H    GLU  11           H        GLU  11   1.383  -0.670  -2.396
   91    HA   GLU  11           HA       GLU  11   2.657   0.341  -3.946
   92   1HB   GLU  11          2HB       GLU  11   2.327  -0.062  -6.123
   93   2HB   GLU  11          1HB       GLU  11   1.016  -1.092  -5.563
   94   1HG   GLU  11          2HG       GLU  11  -0.597   0.409  -6.150
   95   2HG   GLU  11          1HG       GLU  11   0.500   1.780  -6.044
   96    H    PHE  12           H        PHE  12  -0.471   1.438  -3.085
   97    HA   PHE  12           HA       PHE  12  -0.088   4.123  -4.106
   98   1HB   PHE  12          2HB       PHE  12  -2.144   3.084  -2.142
   99   2HB   PHE  12          1HB       PHE  12  -2.171   4.652  -2.941
  100    HD1  PHE  12           1HD      PHE  12  -1.363   3.762  -5.698
  101    HD2  PHE  12           2HD      PHE  12  -4.140   2.155  -2.903
  102    HE1  PHE  12           1HE      PHE  12  -2.666   2.799  -7.550
  103    HE2  PHE  12           2HE      PHE  12  -5.447   1.188  -4.748
  104    HZ   PHE  12           HZ       PHE  12  -4.710   1.508  -7.074
  105    H    CYS  13           H        CYS  13  -0.174   2.547  -0.933
  106    HA   CYS  13           HA       CYS  13   1.558   4.713   0.051
  107   1HB   CYS  13          2HB       CYS  13   0.757   4.357   2.302
  108   2HB   CYS  13          1HB       CYS  13  -0.625   4.641   1.252
  109    H    LEU  14           H        LEU  14   1.465   1.687  -1.068
  110    HA   LEU  14           HA       LEU  14   2.900  -0.053  -1.124
  111   1HB   LEU  14          2HB       LEU  14   4.744   1.848   0.320
  112   2HB   LEU  14          1HB       LEU  14   5.229   0.315  -0.379
  113    HG   LEU  14           HG       LEU  14   3.879   2.070  -2.289
  114   1HD1  LEU  14          1HD1      LEU  14   6.626   2.949  -1.530
  115   2HD1  LEU  14          2HD1      LEU  14   5.364   3.816  -2.407
  116   3HD1  LEU  14          3HD1      LEU  14   5.232   3.593  -0.662
  117   1HD2  LEU  14          1HD2      LEU  14   5.990   1.498  -3.568
  118   2HD2  LEU  14          2HD2      LEU  14   6.431   0.485  -2.194
  119   3HD2  LEU  14          3HD2      LEU  14   4.961   0.141  -3.105
  120    H    LYS  15           H        LYS  15   1.060  -0.499   0.598
  121    HA   LYS  15           HA       LYS  15   2.364  -1.431   3.066
  122   1HB   LYS  15          2HB       LYS  15   0.148  -0.003   3.019
  123   2HB   LYS  15          1HB       LYS  15  -0.601  -1.542   2.623
  124   1HG   LYS  15          2HG       LYS  15  -0.770  -1.227   4.971
  125   2HG   LYS  15          1HG       LYS  15   0.431  -2.490   4.689
  126   1HD   LYS  15          2HD       LYS  15   1.875  -1.318   5.906
  127   2HD   LYS  15          1HD       LYS  15   1.831  -0.056   4.674
  128   1HE   LYS  15          2HE       LYS  15  -0.437   0.504   6.017
  129   2HE   LYS  15          1HE       LYS  15   0.538  -0.173   7.321
  130   1HZ   LYS  15          1HZ       LYS  15   0.712   2.299   6.967
  131   2HZ   LYS  15          2HZ       LYS  15   1.542   1.960   5.527
  132   3HZ   LYS  15          3HZ       LYS  15   2.182   1.457   7.015
  133    H    TYR  16           H        TYR  16   2.302  -3.640   3.570
  134    HA   TYR  16           HA       TYR  16   1.705  -5.344   1.268
  135   1HB   TYR  16          2HB       TYR  16   3.422  -5.693   3.712
  136   2HB   TYR  16          1HB       TYR  16   2.965  -7.068   2.711
  137    HD1  TYR  16           1HD      TYR  16   3.446  -6.796   0.152
  138    HD2  TYR  16           2HD      TYR  16   5.344  -4.527   3.204
  139    HE1  TYR  16           1HE      TYR  16   5.311  -6.312  -1.376
  140    HE2  TYR  16           2HE      TYR  16   7.215  -4.032   1.685
  141    HH   TYR  16           HH       TYR  16   8.249  -4.869  -0.294
  142    H    MET  17           H        MET  17  -0.231  -6.209   1.224
  143    HA   MET  17           HA       MET  17  -1.655  -6.730   3.719
  144   1HB   MET  17          2HB       MET  17  -2.853  -7.379   1.063
  145   2HB   MET  17          1HB       MET  17  -3.624  -6.767   2.515
  146   1HG   MET  17          2HG       MET  17  -2.065  -5.259   0.447
  147   2HG   MET  17          1HG       MET  17  -3.744  -5.046   0.935
  148   1HE   MET  17          1HE       MET  17  -3.755  -3.119   4.081
  149   2HE   MET  17          2HE       MET  17  -4.459  -4.474   3.197
  150   3HE   MET  17          3HE       MET  17  -3.271  -4.771   4.466
  151    H    LYS  18           H        LYS  18  -2.506  -8.767   4.250
  152    HA   LYS  18           HA       LYS  18  -0.678 -10.877   3.621
  153   1HB   LYS  18          2HB       LYS  18  -3.212 -11.004   5.262
  154   2HB   LYS  18          1HB       LYS  18  -1.895 -12.169   5.278
  155   1HG   LYS  18          2HG       LYS  18  -0.944  -9.500   5.843
  156   2HG   LYS  18          1HG       LYS  18  -2.218  -9.991   6.960
  157   1HD   LYS  18          2HD       LYS  18  -0.521 -10.956   8.080
  158   2HD   LYS  18          1HD       LYS  18  -0.722 -12.241   6.887
  159   1HE   LYS  18          2HE       LYS  18   1.372 -11.911   6.228
  160   2HE   LYS  18          1HE       LYS  18   0.921 -10.291   5.699
  161   1HZ   LYS  18          1HZ       LYS  18   1.263  -9.714   8.185
  162   2HZ   LYS  18          2HZ       LYS  18   2.612  -9.867   7.171
  163   3HZ   LYS  18          3HZ       LYS  18   2.190 -11.132   8.217
  164    H    SER  19           H        SER  19  -3.935 -10.060   2.672
  165    HA   SER  19           HA       SER  19  -3.853 -12.256   0.744
  166   1HB   SER  19          2HB       SER  19  -6.457 -11.694   2.117
  167   2HB   SER  19          1HB       SER  19  -5.902 -13.173   1.331
  168    HG   SER  19           HG       SER  19  -4.696 -13.683   3.089
  169    H    ARG  20           H        ARG  20  -5.205 -11.923  -1.112
  170    HA   ARG  20           HA       ARG  20  -5.196  -9.231  -1.996
  171   1HB   ARG  20          2HB       ARG  20  -5.220 -11.597  -3.274
  172   2HB   ARG  20          1HB       ARG  20  -6.921 -11.176  -3.421
  173   1HG   ARG  20          2HG       ARG  20  -6.313  -9.060  -4.479
  174   2HG   ARG  20          1HG       ARG  20  -4.605  -9.468  -4.315
  175   1HD   ARG  20          2HD       ARG  20  -6.377 -11.409  -5.703
  176   2HD   ARG  20          1HD       ARG  20  -5.953  -9.926  -6.557
  177    HE   ARG  20           HE       ARG  20  -3.680 -10.581  -6.513
  178   1HH1  ARG  20          2HH1      ARG  20  -5.900 -13.030  -5.327
  179   2HH1  ARG  20          1HH1      ARG  20  -4.717 -14.307  -5.376
  180   1HH2  ARG  20          2HH2      ARG  20  -2.125 -12.256  -6.584
  181   2HH2  ARG  20          1HH2      ARG  20  -2.562 -13.860  -6.061
  182    H    THR  21           H        THR  21  -7.572 -11.185  -0.420
  183    HA   THR  21           HA       THR  21  -9.925  -9.808  -1.078
  184    HB   THR  21           HB       THR  21 -10.323 -10.610   1.508
  185    HG1  THR  21           1HG      THR  21  -9.053 -12.402   1.891
  186   1HG2  THR  21          1HG2      THR  21 -10.407 -12.234  -1.033
  187   2HG2  THR  21          2HG2      THR  21 -11.717 -11.285  -0.329
  188   3HG2  THR  21          3HG2      THR  21 -11.145 -12.741   0.488
  189    H    ILE  22           H        ILE  22  -7.613  -9.385   1.567
  190    HA   ILE  22           HA       ILE  22  -8.867  -7.141   2.763
  191    HB   ILE  22           HB       ILE  22  -6.107  -8.329   2.927
  192   1HG1  ILE  22          2HG1      ILE  22  -7.414  -8.109   5.431
  193   1HG2  ILE  22          1HG2      ILE  22  -7.086  -5.836   4.294
  194   2HG2  ILE  22          2HG2      ILE  22  -5.667  -6.751   4.800
  195   3HG2  ILE  22          3HG2      ILE  22  -5.706  -6.000   3.207
  196   1HD1  ILE  22          1HD1      ILE  22  -7.261 -10.587   3.747
  197   2HD1  ILE  22          2HD1      ILE  22  -5.884  -9.928   4.634
  198   3HD1  ILE  22          3HD1      ILE  22  -7.321 -10.461   5.506
  199    H    LEU  23           H        LEU  23  -6.257  -7.550   0.420
  200    HA   LEU  23           HA       LEU  23  -5.497  -4.871   0.117
  201   1HB   LEU  23          2HB       LEU  23  -4.147  -6.636  -0.770
  202   2HB   LEU  23          1HB       LEU  23  -5.454  -7.206  -1.789
  203    HG   LEU  23           HG       LEU  23  -5.264  -4.888  -2.942
  204   1HD1  LEU  23          1HD1      LEU  23  -3.322  -3.674  -2.696
  205   2HD1  LEU  23          2HD1      LEU  23  -3.626  -4.189  -1.037
  206   3HD1  LEU  23          3HD1      LEU  23  -2.434  -5.039  -2.019
  207   1HD2  LEU  23          1HD2      LEU  23  -4.376  -7.327  -3.580
  208   2HD2  LEU  23          2HD2      LEU  23  -4.076  -5.904  -4.578
  209   3HD2  LEU  23          3HD2      LEU  23  -2.835  -6.476  -3.465
  210    H    GLN  24           H        GLN  24  -8.074  -6.743  -1.350
  211    HA   GLN  24           HA       GLN  24  -8.862  -4.899  -3.315
  212   1HB   GLN  24          2HB       GLN  24  -9.684  -7.430  -2.427
  213   2HB   GLN  24          1HB       GLN  24 -11.098  -6.398  -2.269
  214   1HG   GLN  24          2HG       GLN  24  -9.486  -6.474  -4.791
  215   2HG   GLN  24          1HG       GLN  24 -10.762  -7.647  -4.466
  216   1HE2  GLN  24          1HE2      GLN  24 -10.022  -4.568  -5.619
  217   2HE2  GLN  24          2HE2      GLN  24 -11.646  -3.974  -5.794
  218    H    GLN  25           H        GLN  25  -9.440  -5.004   0.110
  219    HA   GLN  25           HA       GLN  25 -11.569  -3.019  -0.044
  220   1HB   GLN  25          2HB       GLN  25 -10.247  -3.961   2.491
  221   2HB   GLN  25          1HB       GLN  25 -11.860  -3.297   2.286
  222   1HG   GLN  25          2HG       GLN  25 -10.867  -6.034   1.582
  223   2HG   GLN  25          1HG       GLN  25 -12.153  -5.585   2.697
  224   1HE2  GLN  25          1HE2      GLN  25 -11.694  -7.081  -0.049
  225   2HE2  GLN  25          2HE2      GLN  25 -13.131  -6.655  -0.924
  226    H    HIS  26           H        HIS  26  -8.224  -3.353   0.949
  227    HA   HIS  26           HA       HIS  26  -7.803  -0.841   2.075
  228   1HB   HIS  26          2HB       HIS  26  -6.190  -2.666   2.270
  229   2HB   HIS  26          1HB       HIS  26  -5.875  -2.605   0.540
  230    HD1  HIS  26           1HD      HIS  26  -4.902  -1.032   3.763
  231    HD2  HIS  26           2HD      HIS  26  -4.417  -0.318  -0.320
  232    HE1  HIS  26           1HE      HIS  26  -3.113   0.765   3.543
  233    H    MET  27           H        MET  27  -7.600  -1.893  -1.289
  234    HA   MET  27           HA       MET  27  -6.461   0.451  -2.321
  235   1HB   MET  27          2HB       MET  27  -7.979  -1.842  -3.476
  236   2HB   MET  27          1HB       MET  27  -7.676  -0.434  -4.482
  237   1HG   MET  27          2HG       MET  27  -5.248  -0.683  -3.955
  238   2HG   MET  27          1HG       MET  27  -5.641  -2.207  -3.160
  239   1HE   MET  27          1HE       MET  27  -3.588  -2.493  -4.810
  240   2HE   MET  27          2HE       MET  27  -3.831  -3.316  -6.349
  241   3HE   MET  27          3HE       MET  27  -3.750  -1.556  -6.293
  242    H    LYS  28           H        LYS  28  -9.604  -0.115  -1.184
  243    HA   LYS  28           HA       LYS  28 -10.946   1.810  -2.839
  244   1HB   LYS  28          2HB       LYS  28 -11.664  -0.005  -0.659
  245   2HB   LYS  28          1HB       LYS  28 -12.498   1.541  -0.579
  246   1HG   LYS  28          2HG       LYS  28 -13.945   0.330  -1.859
  247   2HG   LYS  28          1HG       LYS  28 -12.956   1.092  -3.109
  248   1HD   LYS  28          2HD       LYS  28 -12.218  -0.883  -3.836
  249   2HD   LYS  28          1HD       LYS  28 -11.796  -1.399  -2.200
  250   1HE   LYS  28          2HE       LYS  28 -14.190  -1.949  -1.820
  251   2HE   LYS  28          1HE       LYS  28 -14.505  -1.559  -3.510
  252   1HZ   LYS  28          1HZ       LYS  28 -14.075  -3.991  -2.820
  253   2HZ   LYS  28          2HZ       LYS  28 -12.439  -3.539  -2.830
  254   3HZ   LYS  28          3HZ       LYS  28 -13.367  -3.397  -4.242
  255    H    LYS  29           H        LYS  29  -9.725   1.758   0.508
  256    HA   LYS  29           HA       LYS  29 -10.441   4.498   0.919
  257   1HB   LYS  29          2HB       LYS  29  -8.947   4.181   3.023
  258   2HB   LYS  29          1HB       LYS  29 -10.480   3.329   2.922
  259   1HG   LYS  29          2HG       LYS  29  -9.338   1.500   3.420
  260   2HG   LYS  29          1HG       LYS  29  -8.701   1.569   1.778
  261   1HD   LYS  29          2HD       LYS  29  -6.825   1.374   3.218
  262   2HD   LYS  29          1HD       LYS  29  -6.866   3.052   2.675
  263   1HE   LYS  29          2HE       LYS  29  -8.291   3.360   4.873
  264   2HE   LYS  29          1HE       LYS  29  -7.423   1.907   5.363
  265   1HZ   LYS  29          1HZ       LYS  29  -6.424   4.205   5.883
  266   2HZ   LYS  29          2HZ       LYS  29  -5.953   4.208   4.255
  267   3HZ   LYS  29          3HZ       LYS  29  -5.400   2.985   5.298
  268    H    CYS  30           H        CYS  30  -7.506   2.769   0.114
  269    HA   CYS  30           HA       CYS  30  -5.774   5.004   0.386
  270   1HB   CYS  30          2HB       CYS  30  -5.353   2.361   0.173
  271   2HB   CYS  30          1HB       CYS  30  -5.032   2.834  -1.493
  272    H    GLY  31           H        GLY  31  -7.821   3.826  -2.168
  273   1HA   GLY  31          1HA       GLY  31  -6.634   5.389  -4.262
  274   2HA   GLY  31          2HA       GLY  31  -8.215   4.610  -4.305
  275    H    TRP  32           H        TRP  32  -8.582   6.115  -1.605
  276    HA   TRP  32           HA       TRP  32  -9.633   8.557  -2.838
  277   1HB   TRP  32          2HB       TRP  32 -10.442   6.876  -0.533
  278   2HB   TRP  32          1HB       TRP  32 -10.664   8.614  -0.348
  279    HD1  TRP  32           HD       TRP  32 -11.994   5.617  -2.269
  280    HE1  TRP  32           1HE      TRP  32 -14.132   6.303  -3.521
  281    HE3  TRP  32           3HE      TRP  32 -11.822  10.658  -1.452
  282    HZ2  TRP  32           2HZ      TRP  32 -15.547   8.673  -4.095
  283    HZ3  TRP  32           3HZ      TRP  32 -13.608  12.067  -2.394
  284    HH2  TRP  32           HH       TRP  32 -15.435  11.091  -3.685
  285    H    PHE  33           H        PHE  33  -8.379   7.719   0.385
  286    HA   PHE  33           HA       PHE  33  -6.403   9.842   0.186
  287   1HB   PHE  33          2HB       PHE  33  -8.856  10.259   1.529
  288   2HB   PHE  33          1HB       PHE  33  -7.636  10.026   2.782
  289    HD1  PHE  33           1HD      PHE  33  -6.403  11.833   3.479
  290    HD2  PHE  33           2HD      PHE  33  -8.181  11.915  -0.385
  291    HE1  PHE  33           1HE      PHE  33  -5.654  14.158   3.188
  292    HE2  PHE  33           2HE      PHE  33  -7.431  14.238  -0.685
  293    HZ   PHE  33           HZ       PHE  33  -6.164  15.360   1.103
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  12.518 -21.592   5.963
    2   2H    GLY   1          2H        GLY   1  13.163 -21.602   4.395
    3   3H    GLY   1          3H        GLY   1  12.512 -23.022   5.048
    4   1HA   GLY   1          2HA       GLY   1  10.668 -22.484   3.942
    5   2HA   GLY   1          1HA       GLY   1  10.426 -21.349   5.265
    6    H    SER   2           H        SER   2   9.420 -19.747   4.107
    7    HA   SER   2           HA       SER   2  10.531 -18.730   1.653
    8   1HB   SER   2          2HB       SER   2   8.725 -16.879   2.897
    9   2HB   SER   2          1HB       SER   2   8.474 -17.869   1.459
   10    HG   SER   2           HG       SER   2   7.659 -19.499   2.704
   11    H    ARG   3           H        ARG   3  11.398 -16.600   1.368
   12    HA   ARG   3           HA       ARG   3  12.986 -15.734   3.672
   13   1HB   ARG   3          2HB       ARG   3  13.265 -15.587   0.740
   14   2HB   ARG   3          1HB       ARG   3  13.787 -14.147   1.603
   15   1HG   ARG   3          2HG       ARG   3  15.463 -15.285   2.741
   16   2HG   ARG   3          1HG       ARG   3  14.733 -16.861   2.432
   17   1HD   ARG   3          2HD       ARG   3  15.645 -17.030   0.371
   18   2HD   ARG   3          1HD       ARG   3  15.485 -15.305   0.048
   19    HE   ARG   3           HE       ARG   3  17.703 -16.632   1.433
   20   1HH1  ARG   3          2HH1      ARG   3  16.263 -13.693   0.185
   21   2HH1  ARG   3          1HH1      ARG   3  17.752 -12.796   0.202
   22   1HH2  ARG   3          2HH2      ARG   3  19.662 -15.472   1.468
   23   2HH2  ARG   3          1HH2      ARG   3  19.695 -13.812   0.931
   24    H    LEU   4           H        LEU   4  11.802 -13.769   1.007
   25    HA   LEU   4           HA       LEU   4  10.166 -12.228   2.894
   26   1HB   LEU   4          2HB       LEU   4  12.488 -11.275   1.677
   27   2HB   LEU   4          1HB       LEU   4  11.188 -10.623   0.696
   28    HG   LEU   4           HG       LEU   4  11.267 -10.310   3.691
   29   1HD1  LEU   4          1HD1      LEU   4  11.976  -8.030   1.958
   30   2HD1  LEU   4          2HD1      LEU   4  12.574  -8.475   3.556
   31   3HD1  LEU   4          3HD1      LEU   4  13.195  -9.292   2.123
   32   1HD2  LEU   4          1HD2      LEU   4   9.477  -9.491   1.525
   33   2HD2  LEU   4          2HD2      LEU   4   9.179  -9.626   3.258
   34   3HD2  LEU   4          3HD2      LEU   4   9.947  -8.178   2.605
   35    HA   PRO   5           HA       PRO   5   7.659 -13.977  -0.574
   36   1HB   PRO   5          2HB       PRO   5   5.557 -13.440   1.458
   37   2HB   PRO   5          1HB       PRO   5   5.837 -14.888   0.485
   38   1HG   PRO   5          2HG       PRO   5   6.450 -14.841   3.076
   39   2HG   PRO   5          1HG       PRO   5   7.477 -15.687   1.904
   40   1HD   PRO   5          2HD       PRO   5   7.899 -13.047   3.237
   41   2HD   PRO   5          1HD       PRO   5   9.083 -14.305   2.823
   42    H    LYS   6           H        LYS   6   6.768 -12.778  -2.129
   43    HA   LYS   6           HA       LYS   6   6.437  -9.955  -1.691
   44   1HB   LYS   6          2HB       LYS   6   7.370 -10.918  -3.806
   45   2HB   LYS   6          1HB       LYS   6   5.772 -11.558  -4.167
   46   1HG   LYS   6          2HG       LYS   6   5.830  -9.606  -5.393
   47   2HG   LYS   6          1HG       LYS   6   4.987  -9.112  -3.926
   48   1HD   LYS   6          2HD       LYS   6   7.320  -8.441  -3.068
   49   2HD   LYS   6          1HD       LYS   6   7.809  -8.534  -4.761
   50   1HE   LYS   6          2HE       LYS   6   5.458  -6.907  -3.827
   51   2HE   LYS   6          1HE       LYS   6   7.093  -6.255  -3.914
   52   1HZ   LYS   6          1HZ       LYS   6   5.557  -7.390  -6.192
   53   2HZ   LYS   6          2HZ       LYS   6   7.132  -6.764  -6.280
   54   3HZ   LYS   6          3HZ       LYS   6   5.832  -5.743  -5.907
   55    H    LEU   7           H        LEU   7   4.753  -9.668  -0.314
   56    HA   LEU   7           HA       LEU   7   2.252 -10.972  -0.523
   57   1HB   LEU   7          2HB       LEU   7   3.300  -8.624   0.981
   58   2HB   LEU   7          1HB       LEU   7   1.570  -8.813   0.867
   59    HG   LEU   7           HG       LEU   7   2.090  -9.793   2.899
   60   1HD1  LEU   7          1HD1      LEU   7   1.366 -11.521   0.742
   61   2HD1  LEU   7          2HD1      LEU   7   2.340 -12.418   1.905
   62   3HD1  LEU   7          3HD1      LEU   7   0.877 -11.591   2.435
   63   1HD2  LEU   7          1HD2      LEU   7   4.621 -10.409   1.597
   64   2HD2  LEU   7          2HD2      LEU   7   4.261 -10.104   3.297
   65   3HD2  LEU   7          3HD2      LEU   7   4.026 -11.716   2.620
   66    H    TYR   8           H        TYR   8   0.315  -9.143  -0.401
   67    HA   TYR   8           HA       TYR   8   0.151  -8.186  -3.134
   68   1HB   TYR   8          2HB       TYR   8  -1.967  -7.886  -0.998
   69   2HB   TYR   8          1HB       TYR   8  -2.177  -7.905  -2.750
   70    HD1  TYR   8           1HD      TYR   8  -2.690  -9.919  -3.849
   71    HD2  TYR   8           2HD      TYR   8  -1.161 -10.044   0.117
   72    HE1  TYR   8           1HE      TYR   8  -3.115 -12.338  -3.762
   73    HE2  TYR   8           2HE      TYR   8  -1.569 -12.455   0.212
   74    HH   TYR   8           HH       TYR   8  -1.773 -14.372  -1.847
   75    H    LEU   9           H        LEU   9   1.489  -6.474  -3.274
   76    HA   LEU   9           HA       LEU   9   1.626  -4.481  -1.225
   77   1HB   LEU   9          2HB       LEU   9   3.564  -5.193  -2.567
   78   2HB   LEU   9          1HB       LEU   9   2.807  -4.533  -4.003
   79    HG   LEU   9           HG       LEU   9   2.991  -2.278  -3.097
   80   1HD1  LEU   9          1HD1      LEU   9   3.875  -1.752  -1.012
   81   2HD1  LEU   9          2HD1      LEU   9   2.823  -3.128  -0.682
   82   3HD1  LEU   9          3HD1      LEU   9   4.568  -3.359  -0.795
   83   1HD2  LEU   9          1HD2      LEU   9   5.629  -2.426  -2.741
   84   2HD2  LEU   9          2HD2      LEU   9   5.349  -4.030  -3.420
   85   3HD2  LEU   9          3HD2      LEU   9   4.865  -2.593  -4.322
   86    H    CYS  10           H        CYS  10   0.322  -2.801  -0.996
   87    HA   CYS  10           HA       CYS  10  -1.687  -2.067  -2.788
   88   1HB   CYS  10          2HB       CYS  10  -2.318  -1.011  -0.928
   89   2HB   CYS  10          1HB       CYS  10  -0.779  -1.382  -0.191
   90    H    GLU  11           H        GLU  11   1.561  -0.859  -2.258
   91    HA   GLU  11           HA       GLU  11   3.036   0.247  -3.547
   92   1HB   GLU  11          2HB       GLU  11   1.179  -0.896  -5.452
   93   2HB   GLU  11          1HB       GLU  11   1.884   0.602  -6.047
   94   1HG   GLU  11          2HG       GLU  11   4.102  -0.260  -5.720
   95   2HG   GLU  11          1HG       GLU  11   3.463  -1.728  -4.985
   96    H    PHE  12           H        PHE  12   0.148   1.525  -2.686
   97    HA   PHE  12           HA       PHE  12   0.789   4.153  -3.858
   98   1HB   PHE  12          2HB       PHE  12  -1.747   3.375  -2.416
   99   2HB   PHE  12          1HB       PHE  12  -1.467   4.817  -3.390
  100    HD1  PHE  12           1HD      PHE  12  -3.221   1.918  -3.414
  101    HD2  PHE  12           2HD      PHE  12  -0.421   4.012  -5.845
  102    HE1  PHE  12           1HE      PHE  12  -4.054   0.727  -5.396
  103    HE2  PHE  12           2HE      PHE  12  -1.254   2.827  -7.833
  104    HZ   PHE  12           HZ       PHE  12  -3.070   1.177  -7.611
  105    H    CYS  13           H        CYS  13  -0.186   2.590  -0.853
  106    HA   CYS  13           HA       CYS  13   1.234   4.625   0.725
  107   1HB   CYS  13          2HB       CYS  13  -0.024   2.182   1.933
  108   2HB   CYS  13          1HB       CYS  13   0.210   3.774   2.640
  109    H    LEU  14           H        LEU  14   1.450   1.636  -0.820
  110    HA   LEU  14           HA       LEU  14   3.072   0.090  -1.088
  111   1HB   LEU  14          2HB       LEU  14   4.731   2.076   0.454
  112   2HB   LEU  14          1HB       LEU  14   5.374   0.584  -0.206
  113    HG   LEU  14           HG       LEU  14   3.941   2.374  -2.091
  114   1HD1  LEU  14          1HD1      LEU  14   6.210   3.554  -2.408
  115   2HD1  LEU  14          2HD1      LEU  14   5.142   4.093  -1.114
  116   3HD1  LEU  14          3HD1      LEU  14   6.522   3.058  -0.744
  117   1HD2  LEU  14          1HD2      LEU  14   5.730   0.150  -2.174
  118   2HD2  LEU  14          2HD2      LEU  14   4.862   0.928  -3.498
  119   3HD2  LEU  14          3HD2      LEU  14   6.459   1.514  -3.021
  120    H    LYS  15           H        LYS  15   1.177  -0.284   0.811
  121    HA   LYS  15           HA       LYS  15   2.569  -1.518   3.079
  122   1HB   LYS  15          2HB       LYS  15  -0.405  -1.219   2.610
  123   2HB   LYS  15          1HB       LYS  15   0.368  -1.786   4.083
  124   1HG   LYS  15          2HG       LYS  15   0.995   0.930   3.021
  125   2HG   LYS  15          1HG       LYS  15  -0.489   0.649   3.936
  126   1HD   LYS  15          2HD       LYS  15   0.666   0.100   5.875
  127   2HD   LYS  15          1HD       LYS  15   2.149  -0.282   4.998
  128   1HE   LYS  15          2HE       LYS  15   2.590   1.763   6.059
  129   2HE   LYS  15          1HE       LYS  15   2.229   2.195   4.388
  130   1HZ   LYS  15          1HZ       LYS  15  -0.166   2.482   5.302
  131   2HZ   LYS  15          2HZ       LYS  15   0.977   3.706   5.561
  132   3HZ   LYS  15          3HZ       LYS  15   0.606   2.617   6.807
  133    H    TYR  16           H        TYR  16   2.403  -3.734   3.472
  134    HA   TYR  16           HA       TYR  16   1.757  -5.290   1.077
  135   1HB   TYR  16          2HB       TYR  16   3.523  -5.765   3.456
  136   2HB   TYR  16          1HB       TYR  16   2.988  -7.115   2.459
  137    HD1  TYR  16           1HD      TYR  16   3.447  -6.943  -0.074
  138    HD2  TYR  16           2HD      TYR  16   5.390  -4.529   2.839
  139    HE1  TYR  16           1HE      TYR  16   5.267  -6.489  -1.671
  140    HE2  TYR  16           2HE      TYR  16   7.212  -4.069   1.254
  141    HH   TYR  16           HH       TYR  16   8.135  -5.538  -0.965
  142    H    MET  17           H        MET  17  -0.206  -6.114   1.017
  143    HA   MET  17           HA       MET  17  -1.632  -6.686   3.485
  144   1HB   MET  17          2HB       MET  17  -2.531  -7.001   0.630
  145   2HB   MET  17          1HB       MET  17  -3.558  -7.125   2.044
  146   1HG   MET  17          2HG       MET  17  -2.032  -4.644   1.321
  147   2HG   MET  17          1HG       MET  17  -3.680  -4.964   0.792
  148   1HE   MET  17          1HE       MET  17  -1.534  -3.269   2.918
  149   2HE   MET  17          2HE       MET  17  -2.406  -2.833   4.386
  150   3HE   MET  17          3HE       MET  17  -1.519  -4.355   4.308
  151    H    LYS  18           H        LYS  18  -2.247  -8.686   4.176
  152    HA   LYS  18           HA       LYS  18  -0.515 -10.814   3.299
  153   1HB   LYS  18          2HB       LYS  18  -2.177 -10.230   5.634
  154   2HB   LYS  18          1HB       LYS  18  -2.187 -11.928   5.179
  155   1HG   LYS  18          2HG       LYS  18  -0.431 -11.811   6.673
  156   2HG   LYS  18          1HG       LYS  18   0.383 -11.696   5.112
  157   1HD   LYS  18          2HD       LYS  18  -0.374  -9.078   5.988
  158   2HD   LYS  18          1HD       LYS  18   0.516  -9.894   7.274
  159   1HE   LYS  18          2HE       LYS  18   1.879 -10.484   4.901
  160   2HE   LYS  18          1HE       LYS  18   1.484  -8.770   4.811
  161   1HZ   LYS  18          1HZ       LYS  18   2.986  -8.289   6.365
  162   2HZ   LYS  18          2HZ       LYS  18   3.593  -9.855   6.147
  163   3HZ   LYS  18          3HZ       LYS  18   2.479  -9.543   7.389
  164    H    SER  19           H        SER  19  -3.797  -9.924   2.751
  165    HA   SER  19           HA       SER  19  -4.153 -12.377   1.190
  166   1HB   SER  19          2HB       SER  19  -6.472 -11.232   2.724
  167   2HB   SER  19          1HB       SER  19  -6.267 -12.857   2.068
  168    HG   SER  19           HG       SER  19  -4.739 -13.282   3.671
  169    H    ARG  20           H        ARG  20  -5.410 -12.159  -0.672
  170    HA   ARG  20           HA       ARG  20  -5.292  -9.686  -1.974
  171   1HB   ARG  20          2HB       ARG  20  -5.493 -12.121  -2.896
  172   2HB   ARG  20          1HB       ARG  20  -7.225 -11.817  -2.817
  173   1HG   ARG  20          2HG       ARG  20  -7.178 -10.330  -4.521
  174   2HG   ARG  20          1HG       ARG  20  -5.556  -9.765  -4.119
  175   1HD   ARG  20          2HD       ARG  20  -4.801 -12.109  -4.900
  176   2HD   ARG  20          1HD       ARG  20  -6.376 -12.177  -5.690
  177    HE   ARG  20           HE       ARG  20  -5.576  -9.922  -6.690
  178   1HH1  ARG  20          2HH1      ARG  20  -3.569 -12.727  -6.038
  179   2HH1  ARG  20          1HH1      ARG  20  -2.446 -12.369  -7.319
  180   1HH2  ARG  20          2HH2      ARG  20  -4.108  -9.479  -8.390
  181   2HH2  ARG  20          1HH2      ARG  20  -2.748 -10.536  -8.641
  182    H    THR  21           H        THR  21  -7.959 -11.359  -0.396
  183    HA   THR  21           HA       THR  21 -10.040  -9.622  -1.050
  184    HB   THR  21           HB       THR  21 -10.717 -10.439   1.465
  185    HG1  THR  21           1HG      THR  21  -9.063 -12.522   0.420
  186   1HG2  THR  21          1HG2      THR  21 -12.148 -11.852   0.394
  187   2HG2  THR  21          2HG2      THR  21 -10.885 -12.514  -0.645
  188   3HG2  THR  21          3HG2      THR  21 -11.594 -10.941  -1.012
  189    H    ILE  22           H        ILE  22  -7.713  -9.549   1.598
  190    HA   ILE  22           HA       ILE  22  -8.738  -7.279   2.920
  191    HB   ILE  22           HB       ILE  22  -6.161  -8.783   2.984
  192   1HG1  ILE  22          2HG1      ILE  22  -7.743  -7.892   5.357
  193   1HG2  ILE  22          1HG2      ILE  22  -5.746  -6.947   4.943
  194   2HG2  ILE  22          2HG2      ILE  22  -4.992  -6.908   3.347
  195   3HG2  ILE  22          3HG2      ILE  22  -6.438  -5.950   3.662
  196   1HD1  ILE  22          1HD1      ILE  22  -6.315 -10.447   4.667
  197   2HD1  ILE  22          2HD1      ILE  22  -5.782  -9.205   5.803
  198   3HD1  ILE  22          3HD1      ILE  22  -7.225 -10.158   6.152
  199    H    LEU  23           H        LEU  23  -6.278  -7.692   0.403
  200    HA   LEU  23           HA       LEU  23  -5.438  -5.010   0.265
  201   1HB   LEU  23          2HB       LEU  23  -4.124  -6.711  -0.781
  202   2HB   LEU  23          1HB       LEU  23  -5.470  -7.213  -1.787
  203    HG   LEU  23           HG       LEU  23  -5.284  -4.714  -2.669
  204   1HD1  LEU  23          1HD1      LEU  23  -3.486  -4.129  -1.090
  205   2HD1  LEU  23          2HD1      LEU  23  -2.454  -5.344  -1.844
  206   3HD1  LEU  23          3HD1      LEU  23  -2.996  -3.948  -2.774
  207   1HD2  LEU  23          1HD2      LEU  23  -3.679  -7.121  -3.467
  208   2HD2  LEU  23          2HD2      LEU  23  -5.157  -6.485  -4.189
  209   3HD2  LEU  23          3HD2      LEU  23  -3.633  -5.619  -4.393
  210    H    GLN  24           H        GLN  24  -8.050  -6.760  -1.318
  211    HA   GLN  24           HA       GLN  24  -8.880  -4.662  -3.028
  212   1HB   GLN  24          2HB       GLN  24 -10.242  -7.127  -1.962
  213   2HB   GLN  24          1HB       GLN  24 -11.097  -5.973  -2.976
  214   1HG   GLN  24          2HG       GLN  24  -8.641  -7.546  -3.711
  215   2HG   GLN  24          1HG       GLN  24 -10.276  -7.783  -4.323
  216   1HE2  GLN  24          1HE2      GLN  24  -7.455  -6.815  -5.321
  217   2HE2  GLN  24          2HE2      GLN  24  -7.871  -5.516  -6.390
  218    H    GLN  25           H        GLN  25  -9.364  -5.310   0.333
  219    HA   GLN  25           HA       GLN  25 -11.567  -3.438   0.590
  220   1HB   GLN  25          2HB       GLN  25  -9.980  -4.997   2.636
  221   2HB   GLN  25          1HB       GLN  25 -11.305  -3.915   3.041
  222   1HG   GLN  25          2HG       GLN  25 -12.901  -5.339   2.234
  223   2HG   GLN  25          1HG       GLN  25 -11.806  -6.078   1.066
  224   1HE2  GLN  25          1HE2      GLN  25 -12.957  -7.998   2.033
  225   2HE2  GLN  25          2HE2      GLN  25 -12.201  -8.745   3.397
  226    H    HIS  26           H        HIS  26  -8.106  -3.537   1.029
  227    HA   HIS  26           HA       HIS  26  -7.849  -1.131   2.512
  228   1HB   HIS  26          2HB       HIS  26  -5.969  -2.614   2.550
  229   2HB   HIS  26          1HB       HIS  26  -5.888  -2.673   0.791
  230    HD1  HIS  26           1HD      HIS  26  -5.077  -0.398   3.707
  231    HD2  HIS  26           2HD      HIS  26  -4.468  -0.627  -0.412
  232    HE1  HIS  26           1HE      HIS  26  -3.613   1.579   3.072
  233    H    MET  27           H        MET  27  -7.627  -1.894  -0.938
  234    HA   MET  27           HA       MET  27  -7.084   0.782  -1.731
  235   1HB   MET  27          2HB       MET  27  -7.866  -1.723  -3.173
  236   2HB   MET  27          1HB       MET  27  -7.881  -0.185  -4.022
  237   1HG   MET  27          2HG       MET  27  -5.504   0.130  -3.307
  238   2HG   MET  27          1HG       MET  27  -5.537  -1.529  -2.711
  239   1HE   MET  27          1HE       MET  27  -3.955  -2.769  -3.925
  240   2HE   MET  27          2HE       MET  27  -3.633  -2.730  -5.658
  241   3HE   MET  27          3HE       MET  27  -3.216  -1.343  -4.651
  242    H    LYS  28           H        LYS  28  -8.672   1.603  -3.622
  243    HA   LYS  28           HA       LYS  28 -10.637   2.604  -4.166
  244   1HB   LYS  28          2HB       LYS  28 -11.741   0.505  -2.318
  245   2HB   LYS  28          1HB       LYS  28 -12.775   1.770  -2.968
  246   1HG   LYS  28          2HG       LYS  28 -13.085   0.020  -4.450
  247   2HG   LYS  28          1HG       LYS  28 -11.881   1.019  -5.267
  248   1HD   LYS  28          2HD       LYS  28 -10.253  -0.541  -5.061
  249   2HD   LYS  28          1HD       LYS  28 -10.812  -1.064  -3.470
  250   1HE   LYS  28          2HE       LYS  28 -11.762  -2.841  -4.402
  251   2HE   LYS  28          1HE       LYS  28 -12.800  -1.781  -5.356
  252   1HZ   LYS  28          1HZ       LYS  28 -10.137  -2.855  -6.113
  253   2HZ   LYS  28          2HZ       LYS  28 -10.938  -1.639  -6.984
  254   3HZ   LYS  28          3HZ       LYS  28 -11.632  -3.177  -6.849
  255    H    LYS  29           H        LYS  29  -9.616   2.331  -0.897
  256    HA   LYS  29           HA       LYS  29 -10.540   5.059  -0.439
  257   1HB   LYS  29          2HB       LYS  29 -11.505   4.602   1.548
  258   2HB   LYS  29          1HB       LYS  29 -11.580   2.948   0.967
  259   1HG   LYS  29          2HG       LYS  29  -9.035   3.568   2.215
  260   2HG   LYS  29          1HG       LYS  29 -10.404   3.814   3.300
  261   1HD   LYS  29          2HD       LYS  29 -10.348   1.325   1.677
  262   2HD   LYS  29          1HD       LYS  29  -9.236   1.448   3.042
  263   1HE   LYS  29          2HE       LYS  29 -10.923   1.477   4.588
  264   2HE   LYS  29          1HE       LYS  29 -12.080   2.194   3.468
  265   1HZ   LYS  29          1HZ       LYS  29 -12.062  -0.388   4.188
  266   2HZ   LYS  29          2HZ       LYS  29 -11.192  -0.456   2.735
  267   3HZ   LYS  29          3HZ       LYS  29 -12.756   0.200   2.753
  268    H    CYS  30           H        CYS  30  -8.133   2.899  -0.872
  269    HA   CYS  30           HA       CYS  30  -6.045   3.625   0.812
  270   1HB   CYS  30          2HB       CYS  30  -5.709   1.730  -0.549
  271   2HB   CYS  30          1HB       CYS  30  -6.254   2.559  -1.998
  272    H    GLY  31           H        GLY  31  -5.874   5.628   1.215
  273   1HA   GLY  31          1HA       GLY  31  -6.570   7.889   0.497
  274   2HA   GLY  31          2HA       GLY  31  -4.842   7.790   0.776
  275    H    TRP  32           H        TRP  32  -7.367   7.997  -1.588
  276    HA   TRP  32           HA       TRP  32  -5.441   8.430  -3.752
  277   1HB   TRP  32          2HB       TRP  32  -8.387   7.890  -3.627
  278   2HB   TRP  32          1HB       TRP  32  -7.729   8.710  -5.038
  279    HD1  TRP  32           HD       TRP  32  -8.548   5.367  -3.916
  280    HE1  TRP  32           1HE      TRP  32  -7.302   3.573  -5.278
  281    HE3  TRP  32           3HE      TRP  32  -5.032   8.338  -6.152
  282    HZ2  TRP  32           2HZ      TRP  32  -5.130   3.437  -7.067
  283    HZ3  TRP  32           3HZ      TRP  32  -3.408   7.292  -7.678
  284    HH2  TRP  32           HH       TRP  32  -3.455   4.891  -8.119
  285    H    PHE  33           H        PHE  33  -8.561   9.980  -3.341
  286    HA   PHE  33           HA       PHE  33  -7.295  12.596  -3.642
  287   1HB   PHE  33          2HB       PHE  33  -9.977  13.110  -3.572
  288   2HB   PHE  33          1HB       PHE  33  -9.064  12.794  -5.045
  289    HD1  PHE  33           1HD      PHE  33  -9.643  11.028  -6.428
  290    HD2  PHE  33           2HD      PHE  33 -11.089  11.095  -2.424
  291    HE1  PHE  33           1HE      PHE  33 -11.085   9.097  -6.919
  292    HE2  PHE  33           2HE      PHE  33 -12.536   9.166  -2.912
  293    HZ   PHE  33           HZ       PHE  33 -12.535   8.162  -5.160
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1   7.880  -7.034  -6.844
    2   2H    GLY   1          2H        GLY   1   7.943  -6.938  -5.150
    3   3H    GLY   1          3H        GLY   1   6.841  -7.985  -5.901
    4   1HA   GLY   1          2HA       GLY   1   9.735  -8.278  -5.544
    5   2HA   GLY   1          1HA       GLY   1   8.457  -9.463  -5.305
    6    H    SER   2           H        SER   2  11.039  -9.139  -7.042
    7    HA   SER   2           HA       SER   2  10.208  -9.276  -9.732
    8   1HB   SER   2          2HB       SER   2  12.671 -10.721  -9.164
    9   2HB   SER   2          1HB       SER   2  12.426  -9.252 -10.113
   10    HG   SER   2           HG       SER   2  13.004  -8.085  -8.452
   11    H    ARG   3           H        ARG   3  10.778 -11.744  -7.271
   12    HA   ARG   3           HA       ARG   3   9.445 -13.661  -9.060
   13   1HB   ARG   3          2HB       ARG   3  10.717 -15.486  -7.932
   14   2HB   ARG   3          1HB       ARG   3  11.725 -14.408  -8.887
   15   1HG   ARG   3          2HG       ARG   3  12.986 -13.945  -7.130
   16   2HG   ARG   3          1HG       ARG   3  11.576 -13.467  -6.183
   17   1HD   ARG   3          2HD       ARG   3  11.342 -16.181  -6.190
   18   2HD   ARG   3          1HD       ARG   3  13.094 -15.975  -6.177
   19    HE   ARG   3           HE       ARG   3  12.394 -14.305  -4.237
   20   1HH1  ARG   3          2HH1      ARG   3  11.347 -17.584  -4.883
   21   2HH1  ARG   3          1HH1      ARG   3  10.976 -17.933  -3.219
   22   1HH2  ARG   3          2HH2      ARG   3  11.905 -14.751  -2.049
   23   2HH2  ARG   3          1HH2      ARG   3  11.300 -16.320  -1.600
   24    H    LEU   4           H        LEU   4   7.783 -14.782  -8.214
   25    HA   LEU   4           HA       LEU   4   6.098 -15.378  -6.817
   26   1HB   LEU   4          2HB       LEU   4   8.347 -15.141  -5.017
   27   2HB   LEU   4          1HB       LEU   4   6.871 -14.617  -4.230
   28    HG   LEU   4           HG       LEU   4   6.065 -16.953  -5.396
   29   1HD1  LEU   4          1HD1      LEU   4   8.155 -18.354  -4.325
   30   2HD1  LEU   4          2HD1      LEU   4   7.887 -18.071  -6.046
   31   3HD1  LEU   4          3HD1      LEU   4   8.970 -17.018  -5.139
   32   1HD2  LEU   4          1HD2      LEU   4   5.806 -17.717  -3.240
   33   2HD2  LEU   4          2HD2      LEU   4   7.330 -17.014  -2.695
   34   3HD2  LEU   4          3HD2      LEU   4   5.934 -15.976  -2.986
   35    HA   PRO   5           HA       PRO   5   3.768 -11.687  -6.408
   36   1HB   PRO   5          2HB       PRO   5   2.055 -12.298  -4.337
   37   2HB   PRO   5          1HB       PRO   5   1.838 -12.838  -6.004
   38   1HG   PRO   5          2HG       PRO   5   2.989 -14.310  -3.670
   39   2HG   PRO   5          1HG       PRO   5   1.912 -14.899  -4.951
   40   1HD   PRO   5          2HD       PRO   5   4.548 -15.426  -4.971
   41   2HD   PRO   5          1HD       PRO   5   3.644 -15.135  -6.473
   42    H    LYS   6           H        LYS   6   5.003 -13.046  -3.402
   43    HA   LYS   6           HA       LYS   6   5.850 -12.140  -1.509
   44   1HB   LYS   6          2HB       LYS   6   6.959 -10.715  -3.631
   45   2HB   LYS   6          1HB       LYS   6   6.414  -9.468  -2.521
   46   1HG   LYS   6          2HG       LYS   6   7.754 -10.338  -0.760
   47   2HG   LYS   6          1HG       LYS   6   8.146 -11.780  -1.700
   48   1HD   LYS   6          2HD       LYS   6   9.416 -10.486  -3.269
   49   2HD   LYS   6          1HD       LYS   6   8.891  -8.976  -2.520
   50   1HE   LYS   6          2HE       LYS   6  10.017  -9.766  -0.412
   51   2HE   LYS   6          1HE       LYS   6  10.708 -11.081  -1.362
   52   1HZ   LYS   6          1HZ       LYS   6  11.767  -8.583  -1.046
   53   2HZ   LYS   6          2HZ       LYS   6  11.092  -8.534  -2.599
   54   3HZ   LYS   6          3HZ       LYS   6  12.230  -9.731  -2.207
   55    H    LEU   7           H        LEU   7   3.353 -12.213  -1.329
   56    HA   LEU   7           HA       LEU   7   1.489 -11.423  -0.323
   57   1HB   LEU   7          2HB       LEU   7   3.380  -9.250   0.536
   58   2HB   LEU   7          1HB       LEU   7   1.678  -9.170   0.902
   59    HG   LEU   7           HG       LEU   7   2.508 -10.077   2.841
   60   1HD1  LEU   7          1HD1      LEU   7   2.013 -12.508   2.840
   61   2HD1  LEU   7          2HD1      LEU   7   0.761 -11.535   2.066
   62   3HD1  LEU   7          3HD1      LEU   7   1.904 -12.449   1.080
   63   1HD2  LEU   7          1HD2      LEU   7   4.433 -11.708   1.182
   64   2HD2  LEU   7          2HD2      LEU   7   4.819 -10.285   2.150
   65   3HD2  LEU   7          3HD2      LEU   7   4.294 -11.771   2.938
   66    H    TYR   8           H        TYR   8   0.426  -8.876  -0.129
   67    HA   TYR   8           HA       TYR   8   0.142  -8.162  -2.968
   68   1HB   TYR   8          2HB       TYR   8  -2.032  -8.050  -0.867
   69   2HB   TYR   8          1HB       TYR   8  -2.216  -7.899  -2.619
   70    HD1  TYR   8           1HD      TYR   8  -2.275  -9.842  -4.028
   71    HD2  TYR   8           2HD      TYR   8  -1.530 -10.252   0.140
   72    HE1  TYR   8           1HE      TYR   8  -2.574 -12.274  -4.213
   73    HE2  TYR   8           2HE      TYR   8  -1.818 -12.679  -0.039
   74    HH   TYR   8           HH       TYR   8  -1.768 -14.330  -2.914
   75    H    LEU   9           H        LEU   9   1.395  -6.416  -3.050
   76    HA   LEU   9           HA       LEU   9   1.513  -4.510  -0.932
   77   1HB   LEU   9          2HB       LEU   9   3.470  -5.071  -2.239
   78   2HB   LEU   9          1HB       LEU   9   2.684  -4.529  -3.708
   79    HG   LEU   9           HG       LEU   9   2.597  -2.215  -2.580
   80   1HD1  LEU   9          1HD1      LEU   9   4.494  -1.879  -0.984
   81   2HD1  LEU   9          2HD1      LEU   9   3.136  -2.796  -0.335
   82   3HD1  LEU   9          3HD1      LEU   9   4.604  -3.634  -0.842
   83   1HD2  LEU   9          1HD2      LEU   9   5.049  -1.850  -3.191
   84   2HD2  LEU   9          2HD2      LEU   9   5.081  -3.570  -3.585
   85   3HD2  LEU   9          3HD2      LEU   9   3.988  -2.485  -4.447
   86    H    CYS  10           H        CYS  10   0.639  -2.549  -0.762
   87    HA   CYS  10           HA       CYS  10  -1.291  -1.626  -2.719
   88   1HB   CYS  10          2HB       CYS  10  -2.074  -1.281  -0.504
   89   2HB   CYS  10          1HB       CYS  10  -0.502  -0.712   0.048
   90    H    GLU  11           H        GLU  11  -0.796  -0.117  -4.117
   91    HA   GLU  11           HA       GLU  11   1.949   0.839  -4.174
   92   1HB   GLU  11          2HB       GLU  11  -0.188   0.966  -6.311
   93   2HB   GLU  11          1HB       GLU  11   1.509   1.391  -6.522
   94   1HG   GLU  11          2HG       GLU  11   1.918  -1.036  -5.670
   95   2HG   GLU  11          1HG       GLU  11   0.250  -1.287  -6.183
   96    H    PHE  12           H        PHE  12  -0.419   1.911  -2.543
   97    HA   PHE  12           HA       PHE  12  -0.195   4.713  -3.419
   98   1HB   PHE  12          2HB       PHE  12  -2.352   3.503  -1.676
   99   2HB   PHE  12          1HB       PHE  12  -2.320   5.136  -2.337
  100    HD1  PHE  12           1HD      PHE  12  -3.585   1.896  -2.780
  101    HD2  PHE  12           2HD      PHE  12  -2.120   5.249  -4.962
  102    HE1  PHE  12           1HE      PHE  12  -4.755   1.101  -4.787
  103    HE2  PHE  12           2HE      PHE  12  -3.301   4.461  -6.969
  104    HZ   PHE  12           HZ       PHE  12  -4.620   2.385  -6.883
  105    H    CYS  13           H        CYS  13  -0.278   2.629  -0.516
  106    HA   CYS  13           HA       CYS  13   1.316   4.713   0.832
  107   1HB   CYS  13          2HB       CYS  13   0.560   3.878   2.990
  108   2HB   CYS  13          1HB       CYS  13  -0.822   4.323   1.999
  109    H    LEU  14           H        LEU  14   1.472   1.872  -0.715
  110    HA   LEU  14           HA       LEU  14   2.967   0.207  -0.931
  111   1HB   LEU  14          2HB       LEU  14   4.666   2.377   0.258
  112   2HB   LEU  14          1HB       LEU  14   5.344   0.835  -0.240
  113    HG   LEU  14           HG       LEU  14   3.678   2.302  -2.218
  114   1HD1  LEU  14          1HD1      LEU  14   4.885   4.172  -1.754
  115   2HD1  LEU  14          2HD1      LEU  14   6.269   3.266  -1.143
  116   3HD1  LEU  14          3HD1      LEU  14   5.985   3.377  -2.880
  117   1HD2  LEU  14          1HD2      LEU  14   5.693   1.438  -3.624
  118   2HD2  LEU  14          2HD2      LEU  14   5.989   0.415  -2.217
  119   3HD2  LEU  14          3HD2      LEU  14   4.451   0.312  -3.076
  120    H    LYS  15           H        LYS  15   1.507  -0.764   0.753
  121    HA   LYS  15           HA       LYS  15   3.211  -1.818   2.902
  122   1HB   LYS  15          2HB       LYS  15   1.546  -0.281   3.892
  123   2HB   LYS  15          1HB       LYS  15   0.255  -1.195   3.125
  124   1HG   LYS  15          2HG       LYS  15   0.134  -2.276   5.069
  125   2HG   LYS  15          1HG       LYS  15   1.564  -3.143   4.505
  126   1HD   LYS  15          2HD       LYS  15   2.890  -1.206   5.564
  127   2HD   LYS  15          1HD       LYS  15   1.387  -0.837   6.414
  128   1HE   LYS  15          2HE       LYS  15   1.805  -3.616   6.652
  129   2HE   LYS  15          1HE       LYS  15   3.349  -2.836   6.997
  130   1HZ   LYS  15          1HZ       LYS  15   2.563  -1.895   8.866
  131   2HZ   LYS  15          2HZ       LYS  15   1.464  -3.185   8.818
  132   3HZ   LYS  15          3HZ       LYS  15   0.999  -1.653   8.246
  133    H    TYR  16           H        TYR  16   2.977  -4.056   3.259
  134    HA   TYR  16           HA       TYR  16   1.788  -5.465   1.006
  135   1HB   TYR  16          2HB       TYR  16   3.660  -6.289   3.220
  136   2HB   TYR  16          1HB       TYR  16   2.952  -7.457   2.109
  137    HD1  TYR  16           1HD      TYR  16   5.694  -5.332   2.693
  138    HD2  TYR  16           2HD      TYR  16   3.291  -6.914  -0.439
  139    HE1  TYR  16           1HE      TYR  16   7.504  -4.891   1.091
  140    HE2  TYR  16           2HE      TYR  16   5.094  -6.469  -2.053
  141    HH   TYR  16           HH       TYR  16   7.232  -5.876  -2.306
  142    H    MET  17           H        MET  17  -0.014  -6.626   1.085
  143    HA   MET  17           HA       MET  17  -1.324  -6.976   3.686
  144   1HB   MET  17          2HB       MET  17  -2.518  -7.309   0.930
  145   2HB   MET  17          1HB       MET  17  -3.392  -7.302   2.450
  146   1HG   MET  17          2HG       MET  17  -1.860  -4.963   1.350
  147   2HG   MET  17          1HG       MET  17  -3.593  -5.206   1.166
  148   1HE   MET  17          1HE       MET  17  -2.781  -2.266   2.905
  149   2HE   MET  17          2HE       MET  17  -1.571  -2.817   4.064
  150   3HE   MET  17          3HE       MET  17  -1.388  -3.195   2.351
  151    H    LYS  18           H        LYS  18  -2.147  -8.979   4.319
  152    HA   LYS  18           HA       LYS  18  -0.469 -11.159   3.523
  153   1HB   LYS  18          2HB       LYS  18  -2.784 -11.055   5.468
  154   2HB   LYS  18          1HB       LYS  18  -1.698 -12.424   5.274
  155   1HG   LYS  18          2HG       LYS  18  -0.830  -9.667   6.107
  156   2HG   LYS  18          1HG       LYS  18  -1.167 -10.997   7.217
  157   1HD   LYS  18          2HD       LYS  18   0.822 -11.944   6.836
  158   2HD   LYS  18          1HD       LYS  18   0.658 -11.762   5.088
  159   1HE   LYS  18          2HE       LYS  18   1.600  -9.634   5.097
  160   2HE   LYS  18          1HE       LYS  18   1.306  -9.408   6.820
  161   1HZ   LYS  18          1HZ       LYS  18   3.229 -10.376   7.343
  162   2HZ   LYS  18          2HZ       LYS  18   3.660 -10.131   5.726
  163   3HZ   LYS  18          3HZ       LYS  18   3.037 -11.634   6.218
  164    H    SER  19           H        SER  19  -3.752 -10.221   2.852
  165    HA   SER  19           HA       SER  19  -3.986 -12.543   1.076
  166   1HB   SER  19          2HB       SER  19  -6.424 -11.581   2.521
  167   2HB   SER  19          1HB       SER  19  -6.062 -13.182   1.878
  168    HG   SER  19           HG       SER  19  -5.986 -13.049   4.199
  169    H    ARG  20           H        ARG  20  -5.315 -12.204  -0.777
  170    HA   ARG  20           HA       ARG  20  -5.119  -9.583  -1.813
  171   1HB   ARG  20          2HB       ARG  20  -5.378 -11.995  -2.971
  172   2HB   ARG  20          1HB       ARG  20  -7.044 -11.436  -3.095
  173   1HG   ARG  20          2HG       ARG  20  -6.345  -9.467  -4.294
  174   2HG   ARG  20          1HG       ARG  20  -4.647  -9.896  -4.070
  175   1HD   ARG  20          2HD       ARG  20  -5.323 -10.493  -6.299
  176   2HD   ARG  20          1HD       ARG  20  -5.041 -11.964  -5.368
  177    HE   ARG  20           HE       ARG  20  -7.224 -12.526  -5.669
  178   1HH1  ARG  20          2HH1      ARG  20  -6.890  -9.092  -6.319
  179   2HH1  ARG  20          1HH1      ARG  20  -8.543  -8.904  -6.835
  180   1HH2  ARG  20          2HH2      ARG  20  -9.377 -12.284  -6.337
  181   2HH2  ARG  20          1HH2      ARG  20  -9.966 -10.716  -6.832
  182    H    THR  21           H        THR  21  -7.771 -11.366  -0.344
  183    HA   THR  21           HA       THR  21  -9.818  -9.527  -0.984
  184    HB   THR  21           HB       THR  21  -9.836 -11.972   0.133
  185    HG1  THR  21           1HG      THR  21 -12.042 -10.508   0.923
  186   1HG2  THR  21          1HG2      THR  21  -9.177 -10.484   2.342
  187   2HG2  THR  21          2HG2      THR  21  -9.944 -12.071   2.375
  188   3HG2  THR  21          3HG2      THR  21 -10.931 -10.613   2.481
  189    H    ILE  22           H        ILE  22  -7.273  -9.456   1.360
  190    HA   ILE  22           HA       ILE  22  -8.415  -7.426   3.039
  191    HB   ILE  22           HB       ILE  22  -5.601  -8.481   2.732
  192   1HG1  ILE  22          2HG1      ILE  22  -7.556  -8.707   5.031
  193   1HG2  ILE  22          1HG2      ILE  22  -6.089  -6.943   5.134
  194   2HG2  ILE  22          2HG2      ILE  22  -4.765  -6.837   3.973
  195   3HG2  ILE  22          3HG2      ILE  22  -6.269  -5.967   3.676
  196   1HD1  ILE  22          1HD1      ILE  22  -4.922 -10.030   4.482
  197   2HD1  ILE  22          2HD1      ILE  22  -5.375  -9.040   5.870
  198   3HD1  ILE  22          3HD1      ILE  22  -6.090 -10.638   5.654
  199    H    LEU  23           H        LEU  23  -6.074  -7.565   0.384
  200    HA   LEU  23           HA       LEU  23  -5.527  -4.789   0.299
  201   1HB   LEU  23          2HB       LEU  23  -4.087  -6.525  -0.723
  202   2HB   LEU  23          1HB       LEU  23  -5.326  -6.817  -1.928
  203    HG   LEU  23           HG       LEU  23  -5.065  -4.427  -2.657
  204   1HD1  LEU  23          1HD1      LEU  23  -3.211  -3.141  -1.967
  205   2HD1  LEU  23          2HD1      LEU  23  -3.983  -3.719  -0.491
  206   3HD1  LEU  23          3HD1      LEU  23  -2.509  -4.491  -1.078
  207   1HD2  LEU  23          1HD2      LEU  23  -4.007  -5.648  -4.205
  208   2HD2  LEU  23          2HD2      LEU  23  -2.536  -5.045  -3.441
  209   3HD2  LEU  23          3HD2      LEU  23  -3.171  -6.631  -3.002
  210    H    GLN  24           H        GLN  24  -8.001  -6.809  -1.124
  211    HA   GLN  24           HA       GLN  24  -9.034  -4.916  -2.952
  212   1HB   GLN  24          2HB       GLN  24 -10.141  -7.371  -1.634
  213   2HB   GLN  24          1HB       GLN  24 -11.182  -6.341  -2.609
  214   1HG   GLN  24          2HG       GLN  24  -9.828  -6.694  -4.545
  215   2HG   GLN  24          1HG       GLN  24  -8.614  -7.553  -3.597
  216   1HE2  GLN  24          1HE2      GLN  24 -11.980  -7.664  -4.633
  217   2HE2  GLN  24          2HE2      GLN  24 -12.103  -9.395  -4.650
  218    H    GLN  25           H        GLN  25  -9.620  -5.545   0.455
  219    HA   GLN  25           HA       GLN  25 -11.768  -3.661   0.727
  220   1HB   GLN  25          2HB       GLN  25  -9.998  -5.126   2.674
  221   2HB   GLN  25          1HB       GLN  25 -11.108  -3.877   3.218
  222   1HG   GLN  25          2HG       GLN  25 -12.982  -5.118   2.626
  223   2HG   GLN  25          1HG       GLN  25 -12.060  -6.185   1.570
  224   1HE2  GLN  25          1HE2      GLN  25 -10.589  -7.680   2.572
  225   2HE2  GLN  25          2HE2      GLN  25 -10.916  -8.281   4.165
  226    H    HIS  26           H        HIS  26  -8.370  -3.510   0.523
  227    HA   HIS  26           HA       HIS  26  -8.125  -1.008   1.959
  228   1HB   HIS  26          2HB       HIS  26  -6.412  -2.799   2.156
  229   2HB   HIS  26          1HB       HIS  26  -6.031  -2.590   0.451
  230    HD1  HIS  26           1HD      HIS  26  -5.605  -0.900   3.805
  231    HD2  HIS  26           2HD      HIS  26  -4.491  -0.392  -0.183
  232    HE1  HIS  26           1HE      HIS  26  -3.825   0.918   3.770
  233    H    MET  27           H        MET  27  -7.590  -2.164  -1.380
  234    HA   MET  27           HA       MET  27  -7.107   0.521  -2.308
  235   1HB   MET  27          2HB       MET  27  -7.710  -1.817  -4.062
  236   2HB   MET  27          1HB       MET  27  -6.878  -0.335  -4.476
  237   1HG   MET  27          2HG       MET  27  -5.087  -1.041  -2.835
  238   2HG   MET  27          1HG       MET  27  -5.869  -2.621  -2.821
  239   1HE   MET  27          1HE       MET  27  -2.922  -1.951  -3.458
  240   2HE   MET  27          2HE       MET  27  -2.431  -2.148  -5.140
  241   3HE   MET  27          3HE       MET  27  -3.059  -0.598  -4.582
  242    H    LYS  28           H        LYS  28  -8.633   1.752  -2.134
  243    HA   LYS  28           HA       LYS  28 -10.688   2.141  -3.805
  244   1HB   LYS  28          2HB       LYS  28 -12.699   1.711  -2.184
  245   2HB   LYS  28          1HB       LYS  28 -12.124   0.432  -3.235
  246   1HG   LYS  28          2HG       LYS  28 -12.649  -0.344  -0.965
  247   2HG   LYS  28          1HG       LYS  28 -10.960  -0.615  -1.396
  248   1HD   LYS  28          2HD       LYS  28 -10.482   0.364   0.558
  249   2HD   LYS  28          1HD       LYS  28 -10.894   1.871  -0.276
  250   1HE   LYS  28          2HE       LYS  28 -12.121   1.872   1.756
  251   2HE   LYS  28          1HE       LYS  28 -13.274   1.501   0.476
  252   1HZ   LYS  28          1HZ       LYS  28 -11.982  -0.750   1.827
  253   2HZ   LYS  28          2HZ       LYS  28 -13.558  -0.614   1.215
  254   3HZ   LYS  28          3HZ       LYS  28 -13.158   0.108   2.699
  255    H    LYS  29           H        LYS  29  -9.047   2.663  -0.970
  256    HA   LYS  29           HA       LYS  29 -10.369   5.255  -0.560
  257   1HB   LYS  29          2HB       LYS  29 -10.863   3.740   1.292
  258   2HB   LYS  29          1HB       LYS  29  -9.148   3.415   1.506
  259   1HG   LYS  29          2HG       LYS  29  -9.680   6.243   1.637
  260   2HG   LYS  29          1HG       LYS  29 -10.675   5.351   2.790
  261   1HD   LYS  29          2HD       LYS  29  -8.779   4.409   3.841
  262   2HD   LYS  29          1HD       LYS  29  -7.712   4.901   2.524
  263   1HE   LYS  29          2HE       LYS  29  -9.192   7.044   3.929
  264   2HE   LYS  29          1HE       LYS  29  -7.897   6.250   4.826
  265   1HZ   LYS  29          1HZ       LYS  29  -7.731   7.835   2.340
  266   2HZ   LYS  29          2HZ       LYS  29  -6.522   6.699   2.719
  267   3HZ   LYS  29          3HZ       LYS  29  -6.834   7.987   3.774
  268    H    CYS  30           H        CYS  30  -7.377   3.436  -0.285
  269    HA   CYS  30           HA       CYS  30  -5.662   5.470   0.460
  270   1HB   CYS  30          2HB       CYS  30  -5.448   2.798  -0.024
  271   2HB   CYS  30          1HB       CYS  30  -4.527   3.460  -1.365
  272    H    GLY  31           H        GLY  31  -6.499   4.370  -2.810
  273   1HA   GLY  31          1HA       GLY  31  -4.776   6.315  -4.047
  274   2HA   GLY  31          2HA       GLY  31  -5.884   5.228  -4.869
  275    H    TRP  32           H        TRP  32  -7.438   6.920  -2.413
  276    HA   TRP  32           HA       TRP  32  -8.385   8.931  -4.338
  277   1HB   TRP  32          2HB       TRP  32  -9.926   7.309  -2.316
  278   2HB   TRP  32          1HB       TRP  32 -10.571   8.799  -3.005
  279    HD1  TRP  32           HD       TRP  32 -10.406   5.167  -3.653
  280    HE1  TRP  32           1HE      TRP  32 -11.221   4.632  -6.033
  281    HE3  TRP  32           3HE      TRP  32 -10.413   9.895  -5.577
  282    HZ2  TRP  32           2HZ      TRP  32 -11.778   6.033  -8.410
  283    HZ3  TRP  32           3HZ      TRP  32 -11.093  10.215  -7.920
  284    HH2  TRP  32           HH       TRP  32 -11.764   8.320  -9.307
  285    H    PHE  33           H        PHE  33  -9.622   8.939  -1.123
  286    HA   PHE  33           HA       PHE  33  -7.951  11.289  -0.518
  287   1HB   PHE  33          2HB       PHE  33 -10.515  10.939   0.924
  288   2HB   PHE  33          1HB       PHE  33  -9.769  12.402   0.283
  289    HD1  PHE  33           1HD      PHE  33 -12.161   9.761  -0.292
  290    HD2  PHE  33           2HD      PHE  33 -10.003  12.935  -2.138
  291    HE1  PHE  33           1HE      PHE  33 -13.730   9.726  -2.184
  292    HE2  PHE  33           2HE      PHE  33 -11.570  12.900  -4.036
  293    HZ   PHE  33           HZ       PHE  33 -13.437  11.297  -4.060
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  17.382 -18.616   3.969
    2   2H    GLY   1          2H        GLY   1  15.819 -19.077   4.429
    3   3H    GLY   1          3H        GLY   1  16.049 -17.677   3.501
    4   1HA   GLY   1          2HA       GLY   1  17.221 -19.863   2.173
    5   2HA   GLY   1          1HA       GLY   1  15.567 -20.266   2.608
    6    H    SER   2           H        SER   2  14.686 -20.180   0.582
    7    HA   SER   2           HA       SER   2  14.579 -17.498  -0.624
    8   1HB   SER   2          2HB       SER   2  14.430 -19.863  -2.429
    9   2HB   SER   2          1HB       SER   2  15.084 -18.254  -2.731
   10    HG   SER   2           HG       SER   2  16.935 -18.795  -1.639
   11    H    ARG   3           H        ARG   3  12.825 -19.372   1.111
   12    HA   ARG   3           HA       ARG   3  10.449 -19.442  -0.613
   13   1HB   ARG   3          2HB       ARG   3  11.218 -21.379   0.987
   14   2HB   ARG   3          1HB       ARG   3  10.446 -20.400   2.226
   15   1HG   ARG   3          2HG       ARG   3   8.723 -20.649  -0.058
   16   2HG   ARG   3          1HG       ARG   3   9.238 -22.240   0.505
   17   1HD   ARG   3          2HD       ARG   3   7.888 -22.120   2.266
   18   2HD   ARG   3          1HD       ARG   3   8.566 -20.565   2.740
   19    HE   ARG   3           HE       ARG   3   6.648 -20.439   0.578
   20   1HH1  ARG   3          2HH1      ARG   3   7.150 -20.305   4.050
   21   2HH1  ARG   3          1HH1      ARG   3   5.666 -19.450   4.357
   22   1HH2  ARG   3          2HH2      ARG   3   4.674 -19.352   0.991
   23   2HH2  ARG   3          1HH2      ARG   3   4.241 -18.947   2.629
   24    H    LEU   4           H        LEU   4  10.891 -16.994  -0.432
   25    HA   LEU   4           HA       LEU   4   9.753 -15.858   2.006
   26   1HB   LEU   4          2HB       LEU   4  11.547 -14.910  -0.124
   27   2HB   LEU   4          1HB       LEU   4  10.367 -13.727   0.413
   28    HG   LEU   4           HG       LEU   4  11.182 -14.226   2.786
   29   1HD1  LEU   4          1HD1      LEU   4  13.756 -15.081   1.609
   30   2HD1  LEU   4          2HD1      LEU   4  13.038 -15.468   3.171
   31   3HD1  LEU   4          3HD1      LEU   4  12.485 -16.296   1.716
   32   1HD2  LEU   4          1HD2      LEU   4  13.318 -12.848   2.346
   33   2HD2  LEU   4          2HD2      LEU   4  12.764 -12.819   0.673
   34   3HD2  LEU   4          3HD2      LEU   4  11.755 -12.140   1.948
   35    HA   PRO   5           HA       PRO   5   5.839 -15.784  -0.088
   36   1HB   PRO   5          2HB       PRO   5   5.006 -14.147   2.223
   37   2HB   PRO   5          1HB       PRO   5   4.377 -15.698   1.658
   38   1HG   PRO   5          2HG       PRO   5   5.852 -15.523   3.886
   39   2HG   PRO   5          1HG       PRO   5   5.988 -16.913   2.791
   40   1HD   PRO   5          2HD       PRO   5   7.793 -14.536   3.070
   41   2HD   PRO   5          1HD       PRO   5   8.213 -16.250   2.855
   42    H    LYS   6           H        LYS   6   5.227 -14.470  -1.653
   43    HA   LYS   6           HA       LYS   6   5.959 -11.644  -1.552
   44   1HB   LYS   6          2HB       LYS   6   5.864 -13.538  -3.608
   45   2HB   LYS   6          1HB       LYS   6   4.508 -12.463  -3.926
   46   1HG   LYS   6          2HG       LYS   6   7.070 -11.165  -3.261
   47   2HG   LYS   6          1HG       LYS   6   6.998 -12.014  -4.805
   48   1HD   LYS   6          2HD       LYS   6   4.602 -10.547  -4.575
   49   2HD   LYS   6          1HD       LYS   6   5.908  -9.466  -4.085
   50   1HE   LYS   6          2HE       LYS   6   5.933  -9.101  -6.339
   51   2HE   LYS   6          1HE       LYS   6   7.065 -10.449  -6.240
   52   1HZ   LYS   6          1HZ       LYS   6   5.559 -11.904  -7.128
   53   2HZ   LYS   6          2HZ       LYS   6   5.123 -10.491  -7.949
   54   3HZ   LYS   6          3HZ       LYS   6   4.209 -11.014  -6.626
   55    H    LEU   7           H        LEU   7   4.534 -10.576  -0.306
   56    HA   LEU   7           HA       LEU   7   1.752 -11.240  -0.223
   57   1HB   LEU   7          2HB       LEU   7   3.410  -9.051   0.972
   58   2HB   LEU   7          1HB       LEU   7   1.668  -9.002   1.074
   59    HG   LEU   7           HG       LEU   7   2.251  -9.925   3.104
   60   1HD1  LEU   7          1HD1      LEU   7   1.550 -12.020   1.113
   61   2HD1  LEU   7          2HD1      LEU   7   1.990 -12.529   2.743
   62   3HD1  LEU   7          3HD1      LEU   7   0.637 -11.425   2.499
   63   1HD2  LEU   7          1HD2      LEU   7   4.501 -10.282   3.152
   64   2HD2  LEU   7          2HD2      LEU   7   3.951 -11.955   3.049
   65   3HD2  LEU   7          3HD2      LEU   7   4.514 -11.120   1.600
   66    H    TYR   8           H        TYR   8   0.476  -8.840  -0.123
   67    HA   TYR   8           HA       TYR   8   0.461  -8.104  -2.959
   68   1HB   TYR   8          2HB       TYR   8  -1.691  -7.703  -0.862
   69   2HB   TYR   8          1HB       TYR   8  -1.852  -7.418  -2.596
   70    HD1  TYR   8           1HD      TYR   8  -0.936 -10.157  -0.227
   71    HD2  TYR   8           2HD      TYR   8  -2.801  -9.080  -3.890
   72    HE1  TYR   8           1HE      TYR   8  -1.618 -12.478  -0.543
   73    HE2  TYR   8           2HE      TYR   8  -3.506 -11.408  -4.221
   74    HH   TYR   8           HH       TYR   8  -3.898 -13.416  -2.961
   75    H    LEU   9           H        LEU   9   1.050  -6.143  -3.584
   76    HA   LEU   9           HA       LEU   9   1.697  -4.197  -1.501
   77   1HB   LEU   9          2HB       LEU   9   3.445  -4.897  -3.089
   78   2HB   LEU   9          1HB       LEU   9   2.483  -4.272  -4.414
   79    HG   LEU   9           HG       LEU   9   2.700  -1.998  -3.511
   80   1HD1  LEU   9          1HD1      LEU   9   3.318  -3.272  -1.136
   81   2HD1  LEU   9          2HD1      LEU   9   4.852  -2.574  -1.658
   82   3HD1  LEU   9          3HD1      LEU   9   3.434  -1.543  -1.462
   83   1HD2  LEU   9          1HD2      LEU   9   4.511  -3.344  -4.943
   84   2HD2  LEU   9          2HD2      LEU   9   4.725  -1.659  -4.464
   85   3HD2  LEU   9          3HD2      LEU   9   5.502  -2.943  -3.538
   86    H    CYS  10           H        CYS  10   0.339  -2.620  -1.089
   87    HA   CYS  10           HA       CYS  10  -1.868  -1.922  -2.656
   88   1HB   CYS  10          2HB       CYS  10  -2.396  -0.926  -0.728
   89   2HB   CYS  10          1HB       CYS  10  -0.833  -1.390  -0.101
   90    H    GLU  11           H        GLU  11   1.401  -0.773  -2.509
   91    HA   GLU  11           HA       GLU  11   2.692   0.408  -3.914
   92   1HB   GLU  11          2HB       GLU  11   0.405  -0.308  -5.572
   93   2HB   GLU  11          1HB       GLU  11   1.220   1.156  -6.111
   94   1HG   GLU  11          2HG       GLU  11   3.285   0.023  -6.343
   95   2HG   GLU  11          1HG       GLU  11   2.667  -1.407  -5.521
   96    H    PHE  12           H        PHE  12  -0.186   1.751  -2.709
   97    HA   PHE  12           HA       PHE  12   0.613   4.448  -3.548
   98   1HB   PHE  12          2HB       PHE  12  -1.877   3.488  -2.124
   99   2HB   PHE  12          1HB       PHE  12  -1.562   5.156  -2.591
  100    HD1  PHE  12           1HD      PHE  12  -3.313   2.329  -3.482
  101    HD2  PHE  12           2HD      PHE  12  -0.825   5.329  -5.196
  102    HE1  PHE  12           1HE      PHE  12  -4.306   1.892  -5.687
  103    HE2  PHE  12           2HE      PHE  12  -1.820   4.899  -7.399
  104    HZ   PHE  12           HZ       PHE  12  -3.563   3.178  -7.648
  105    H    CYS  13           H        CYS  13  -0.269   2.679  -0.603
  106    HA   CYS  13           HA       CYS  13   1.318   4.541   1.022
  107   1HB   CYS  13          2HB       CYS  13   0.042   2.081   2.157
  108   2HB   CYS  13          1HB       CYS  13   0.323   3.638   2.918
  109    H    LEU  14           H        LEU  14   1.362   1.672  -0.711
  110    HA   LEU  14           HA       LEU  14   2.874   0.066  -1.136
  111   1HB   LEU  14          2HB       LEU  14   4.688   2.052   0.209
  112   2HB   LEU  14          1HB       LEU  14   5.277   0.520  -0.409
  113    HG   LEU  14           HG       LEU  14   3.709   2.129  -2.318
  114   1HD1  LEU  14          1HD1      LEU  14   5.821   3.342  -0.822
  115   2HD1  LEU  14          2HD1      LEU  14   6.315   3.152  -2.505
  116   3HD1  LEU  14          3HD1      LEU  14   4.831   4.022  -2.114
  117   1HD2  LEU  14          1HD2      LEU  14   6.145   0.399  -2.335
  118   2HD2  LEU  14          2HD2      LEU  14   4.635   0.220  -3.230
  119   3HD2  LEU  14          3HD2      LEU  14   5.790   1.469  -3.692
  120    H    LYS  15           H        LYS  15   1.202  -0.463   0.860
  121    HA   LYS  15           HA       LYS  15   2.837  -1.671   2.985
  122   1HB   LYS  15          2HB       LYS  15  -0.156  -1.248   2.875
  123   2HB   LYS  15          1HB       LYS  15   0.738  -1.912   4.234
  124   1HG   LYS  15          2HG       LYS  15   1.089   0.873   3.146
  125   2HG   LYS  15          1HG       LYS  15   0.096   0.449   4.541
  126   1HD   LYS  15          2HD       LYS  15   2.110  -0.470   5.646
  127   2HD   LYS  15          1HD       LYS  15   3.077   0.068   4.270
  128   1HE   LYS  15          2HE       LYS  15   1.362   2.127   5.483
  129   2HE   LYS  15          1HE       LYS  15   2.653   1.524   6.521
  130   1HZ   LYS  15          1HZ       LYS  15   3.756   1.963   4.006
  131   2HZ   LYS  15          2HZ       LYS  15   4.049   2.821   5.431
  132   3HZ   LYS  15          3HZ       LYS  15   2.827   3.334   4.373
  133    H    TYR  16           H        TYR  16   2.661  -3.867   3.427
  134    HA   TYR  16           HA       TYR  16   1.823  -5.463   1.153
  135   1HB   TYR  16          2HB       TYR  16   3.638  -5.844   3.470
  136   2HB   TYR  16          1HB       TYR  16   2.860  -7.286   2.823
  137    HD1  TYR  16           1HD      TYR  16   3.396  -4.701   0.409
  138    HD2  TYR  16           2HD      TYR  16   5.252  -7.996   2.346
  139    HE1  TYR  16           1HE      TYR  16   5.068  -4.811  -1.397
  140    HE2  TYR  16           2HE      TYR  16   6.928  -8.119   0.551
  141    HH   TYR  16           HH       TYR  16   7.294  -5.639  -1.798
  142    H    MET  17           H        MET  17  -0.022  -6.472   1.059
  143    HA   MET  17           HA       MET  17  -1.592  -6.858   3.508
  144   1HB   MET  17          2HB       MET  17  -2.705  -7.542   0.832
  145   2HB   MET  17          1HB       MET  17  -3.501  -6.831   2.229
  146   1HG   MET  17          2HG       MET  17  -1.460  -5.140   0.967
  147   2HG   MET  17          1HG       MET  17  -2.874  -5.489  -0.027
  148   1HE   MET  17          1HE       MET  17  -2.579  -2.023   2.361
  149   2HE   MET  17          2HE       MET  17  -1.643  -3.289   3.157
  150   3HE   MET  17          3HE       MET  17  -1.435  -2.989   1.433
  151    H    LYS  18           H        LYS  18  -2.284  -8.869   4.167
  152    HA   LYS  18           HA       LYS  18  -0.603 -11.040   3.368
  153   1HB   LYS  18          2HB       LYS  18  -2.351 -10.404   5.578
  154   2HB   LYS  18          1HB       LYS  18  -2.621 -12.054   5.029
  155   1HG   LYS  18          2HG       LYS  18  -0.979 -12.210   6.691
  156   2HG   LYS  18          1HG       LYS  18  -0.106 -12.357   5.165
  157   1HD   LYS  18          2HD       LYS  18   0.156  -9.765   5.413
  158   2HD   LYS  18          1HD       LYS  18  -0.157 -10.101   7.116
  159   1HE   LYS  18          2HE       LYS  18   1.674 -11.869   6.921
  160   2HE   LYS  18          1HE       LYS  18   2.097 -11.090   5.398
  161   1HZ   LYS  18          1HZ       LYS  18   3.392 -10.285   7.324
  162   2HZ   LYS  18          2HZ       LYS  18   1.959  -9.676   8.003
  163   3HZ   LYS  18          3HZ       LYS  18   2.530  -9.055   6.534
  164    H    SER  19           H        SER  19  -3.705  -9.964   2.385
  165    HA   SER  19           HA       SER  19  -3.929 -12.269   0.644
  166   1HB   SER  19          2HB       SER  19  -6.024 -13.014   1.360
  167   2HB   SER  19          1HB       SER  19  -5.214 -12.646   2.880
  168    HG   SER  19           HG       SER  19  -7.164 -11.684   3.046
  169    H    ARG  20           H        ARG  20  -5.836 -11.956  -0.897
  170    HA   ARG  20           HA       ARG  20  -5.701  -9.262  -1.926
  171   1HB   ARG  20          2HB       ARG  20  -5.809 -11.613  -3.192
  172   2HB   ARG  20          1HB       ARG  20  -7.534 -11.269  -3.124
  173   1HG   ARG  20          2HG       ARG  20  -7.386  -9.515  -4.545
  174   2HG   ARG  20          1HG       ARG  20  -5.755  -9.093  -4.026
  175   1HD   ARG  20          2HD       ARG  20  -4.995 -11.211  -5.196
  176   2HD   ARG  20          1HD       ARG  20  -6.602 -11.270  -5.917
  177    HE   ARG  20           HE       ARG  20  -4.577  -9.180  -6.376
  178   1HH1  ARG  20          2HH1      ARG  20  -7.517 -10.848  -7.303
  179   2HH1  ARG  20          1HH1      ARG  20  -7.711  -9.950  -8.783
  180   1HH2  ARG  20          2HH2      ARG  20  -4.823  -7.992  -8.313
  181   2HH2  ARG  20          1HH2      ARG  20  -6.173  -8.329  -9.363
  182    H    THR  21           H        THR  21  -7.718 -11.046   0.160
  183    HA   THR  21           HA       THR  21 -10.127  -9.557  -0.329
  184    HB   THR  21           HB       THR  21  -9.516 -11.867   1.101
  185    HG1  THR  21           1HG      THR  21 -11.850 -10.237   0.959
  186   1HG2  THR  21          1HG2      THR  21  -9.948 -11.580   3.356
  187   2HG2  THR  21          2HG2      THR  21 -10.688  -9.995   3.121
  188   3HG2  THR  21          3HG2      THR  21  -8.937 -10.182   2.984
  189    H    ILE  22           H        ILE  22  -7.250  -9.256   1.631
  190    HA   ILE  22           HA       ILE  22  -8.201  -6.967   3.101
  191    HB   ILE  22           HB       ILE  22  -5.463  -8.212   2.823
  192   1HG1  ILE  22          2HG1      ILE  22  -7.024  -8.028   5.370
  193   1HG2  ILE  22          1HG2      ILE  22  -4.510  -6.580   4.057
  194   2HG2  ILE  22          2HG2      ILE  22  -5.788  -5.613   3.321
  195   3HG2  ILE  22          3HG2      ILE  22  -5.989  -6.241   4.956
  196   1HD1  ILE  22          1HD1      ILE  22  -5.292 -10.234   4.288
  197   2HD1  ILE  22          2HD1      ILE  22  -4.721  -8.947   5.349
  198   3HD1  ILE  22          3HD1      ILE  22  -5.941 -10.083   5.921
  199    H    LEU  23           H        LEU  23  -6.095  -7.642   0.352
  200    HA   LEU  23           HA       LEU  23  -5.170  -5.054  -0.174
  201   1HB   LEU  23          2HB       LEU  23  -4.653  -7.452  -1.186
  202   2HB   LEU  23          1HB       LEU  23  -5.808  -6.942  -2.394
  203    HG   LEU  23           HG       LEU  23  -3.020  -6.336  -2.187
  204   1HD1  LEU  23          1HD1      LEU  23  -4.063  -5.040  -4.398
  205   2HD1  LEU  23          2HD1      LEU  23  -3.423  -6.680  -4.333
  206   3HD1  LEU  23          3HD1      LEU  23  -5.151  -6.398  -4.127
  207   1HD2  LEU  23          1HD2      LEU  23  -3.504  -4.314  -1.036
  208   2HD2  LEU  23          2HD2      LEU  23  -3.183  -3.897  -2.719
  209   3HD2  LEU  23          3HD2      LEU  23  -4.843  -3.943  -2.123
  210    H    GLN  24           H        GLN  24  -8.078  -6.758  -1.235
  211    HA   GLN  24           HA       GLN  24  -9.003  -4.714  -2.966
  212   1HB   GLN  24          2HB       GLN  24 -10.048  -7.243  -1.874
  213   2HB   GLN  24          1HB       GLN  24 -11.273  -6.051  -2.280
  214   1HG   GLN  24          2HG       GLN  24  -9.130  -6.685  -4.251
  215   2HG   GLN  24          1HG       GLN  24 -10.487  -7.793  -4.043
  216   1HE2  GLN  24          1HE2      GLN  24  -9.541  -5.802  -6.177
  217   2HE2  GLN  24          2HE2      GLN  24 -10.995  -4.958  -6.590
  218    H    GLN  25           H        GLN  25  -9.576  -5.458   0.424
  219    HA   GLN  25           HA       GLN  25 -11.601  -3.475   0.768
  220   1HB   GLN  25          2HB       GLN  25 -10.020  -5.248   2.579
  221   2HB   GLN  25          1HB       GLN  25 -10.875  -3.877   3.273
  222   1HG   GLN  25          2HG       GLN  25 -12.974  -4.700   2.435
  223   2HG   GLN  25          1HG       GLN  25 -12.159  -6.008   1.583
  224   1HE2  GLN  25          1HE2      GLN  25 -11.367  -7.753   2.733
  225   2HE2  GLN  25          2HE2      GLN  25 -11.839  -8.085   4.369
  226    H    HIS  26           H        HIS  26  -8.118  -3.562   1.129
  227    HA   HIS  26           HA       HIS  26  -7.886  -1.083   2.497
  228   1HB   HIS  26          2HB       HIS  26  -6.046  -2.637   2.615
  229   2HB   HIS  26          1HB       HIS  26  -5.886  -2.660   0.861
  230    HD1  HIS  26           1HD      HIS  26  -5.117  -0.510   3.867
  231    HD2  HIS  26           2HD      HIS  26  -4.499  -0.527  -0.255
  232    HE1  HIS  26           1HE      HIS  26  -3.551   1.425   3.357
  233    H    MET  27           H        MET  27  -7.487  -2.001  -0.924
  234    HA   MET  27           HA       MET  27  -6.925   0.640  -1.791
  235   1HB   MET  27          2HB       MET  27  -7.676  -1.899  -3.197
  236   2HB   MET  27          1HB       MET  27  -7.614  -0.387  -4.084
  237   1HG   MET  27          2HG       MET  27  -5.292  -0.101  -3.551
  238   2HG   MET  27          1HG       MET  27  -5.328  -1.503  -2.483
  239   1HE   MET  27          1HE       MET  27  -3.880  -0.526  -5.807
  240   2HE   MET  27          2HE       MET  27  -4.876  -1.375  -6.990
  241   3HE   MET  27          3HE       MET  27  -5.585  -0.113  -5.983
  242    H    LYS  28           H        LYS  28  -8.365   1.457  -3.723
  243    HA   LYS  28           HA       LYS  28 -10.295   2.472  -4.413
  244   1HB   LYS  28          2HB       LYS  28 -11.551   0.564  -2.455
  245   2HB   LYS  28          1HB       LYS  28 -12.487   1.863  -3.181
  246   1HG   LYS  28          2HG       LYS  28 -12.943   0.162  -4.629
  247   2HG   LYS  28          1HG       LYS  28 -11.535   0.877  -5.418
  248   1HD   LYS  28          2HD       LYS  28 -10.115  -0.831  -4.705
  249   2HD   LYS  28          1HD       LYS  28 -11.219  -1.344  -3.427
  250   1HE   LYS  28          2HE       LYS  28 -12.170  -1.509  -6.235
  251   2HE   LYS  28          1HE       LYS  28 -10.967  -2.683  -5.708
  252   1HZ   LYS  28          1HZ       LYS  28 -12.703  -3.825  -4.945
  253   2HZ   LYS  28          2HZ       LYS  28 -13.757  -2.501  -5.052
  254   3HZ   LYS  28          3HZ       LYS  28 -12.773  -2.693  -3.686
  255    H    LYS  29           H        LYS  29 -10.217   1.982  -0.904
  256    HA   LYS  29           HA       LYS  29 -10.927   4.731  -0.343
  257   1HB   LYS  29          2HB       LYS  29 -11.583   2.902   1.186
  258   2HB   LYS  29          1HB       LYS  29  -9.885   2.557   1.481
  259   1HG   LYS  29          2HG       LYS  29  -9.967   5.176   2.127
  260   2HG   LYS  29          1HG       LYS  29 -11.603   4.677   2.566
  261   1HD   LYS  29          2HD       LYS  29 -10.890   3.428   4.295
  262   2HD   LYS  29          1HD       LYS  29  -9.488   2.828   3.406
  263   1HE   LYS  29          2HE       LYS  29  -8.345   4.113   4.861
  264   2HE   LYS  29          1HE       LYS  29  -8.774   5.404   3.741
  265   1HZ   LYS  29          1HZ       LYS  29 -10.748   5.839   5.133
  266   2HZ   LYS  29          2HZ       LYS  29  -9.287   6.093   5.954
  267   3HZ   LYS  29          3HZ       LYS  29 -10.196   4.690   6.253
  268    H    CYS  30           H        CYS  30  -8.111   2.693  -0.477
  269    HA   CYS  30           HA       CYS  30  -6.147   4.389   0.540
  270   1HB   CYS  30          2HB       CYS  30  -5.620   2.102   0.161
  271   2HB   CYS  30          1HB       CYS  30  -6.116   2.187  -1.524
  272    H    GLY  31           H        GLY  31  -6.809   3.741  -2.904
  273   1HA   GLY  31          1HA       GLY  31  -5.472   6.192  -3.677
  274   2HA   GLY  31          2HA       GLY  31  -6.183   4.996  -4.757
  275    H    TRP  32           H        TRP  32  -7.316   7.209  -2.210
  276    HA   TRP  32           HA       TRP  32  -9.791   7.674  -3.639
  277   1HB   TRP  32          2HB       TRP  32  -9.083   7.709  -0.976
  278   2HB   TRP  32          1HB       TRP  32  -9.259   9.422  -1.364
  279    HD1  TRP  32           HD       TRP  32 -11.280   6.140  -1.693
  280    HE1  TRP  32           1HE      TRP  32 -13.785   6.723  -1.570
  281    HE3  TRP  32           3HE      TRP  32 -10.905  11.233  -1.424
  282    HZ2  TRP  32           2HZ      TRP  32 -15.367   9.032  -1.392
  283    HZ3  TRP  32           3HZ      TRP  32 -12.973  12.559  -1.279
  284    HH2  TRP  32           HH       TRP  32 -15.166  11.476  -1.261
  285    H    PHE  33           H        PHE  33  -7.999   8.475  -5.358
  286    HA   PHE  33           HA       PHE  33  -8.156  11.404  -5.224
  287   1HB   PHE  33          2HB       PHE  33  -6.106  11.432  -6.723
  288   2HB   PHE  33          1HB       PHE  33  -5.826  10.967  -5.047
  289    HD1  PHE  33           1HD      PHE  33  -6.227   9.614  -8.476
  290    HD2  PHE  33           2HD      PHE  33  -4.835   8.917  -4.516
  291    HE1  PHE  33           1HE      PHE  33  -5.118   7.555  -9.233
  292    HE2  PHE  33           2HE      PHE  33  -3.723   6.854  -5.267
  293    HZ   PHE  33           HZ       PHE  33  -3.864   6.172  -7.629
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1   3.054 -17.545 -10.632
    2   2H    GLY   1          2H        GLY   1   1.959 -17.037  -9.443
    3   3H    GLY   1          3H        GLY   1   3.029 -18.314  -9.123
    4   1HA   GLY   1          2HA       GLY   1   3.987 -15.601  -9.783
    5   2HA   GLY   1          1HA       GLY   1   3.612 -16.075  -8.132
    6    H    SER   2           H        SER   2   5.782 -16.478 -10.831
    7    HA   SER   2           HA       SER   2   7.377 -18.554  -9.771
    8   1HB   SER   2          2HB       SER   2   8.836 -16.688 -11.459
    9   2HB   SER   2          1HB       SER   2   8.386 -18.365 -11.775
   10    HG   SER   2           HG       SER   2   7.310 -17.160 -13.275
   11    H    ARG   3           H        ARG   3   7.538 -15.039  -9.574
   12    HA   ARG   3           HA       ARG   3   9.785 -15.236  -7.690
   13   1HB   ARG   3          2HB       ARG   3   8.608 -12.637  -8.610
   14   2HB   ARG   3          1HB       ARG   3  10.249 -12.987  -8.089
   15   1HG   ARG   3          2HG       ARG   3   9.241 -14.256 -10.585
   16   2HG   ARG   3          1HG       ARG   3   9.694 -12.550 -10.609
   17   1HD   ARG   3          2HD       ARG   3  11.636 -14.249  -9.254
   18   2HD   ARG   3          1HD       ARG   3  11.402 -14.668 -10.949
   19    HE   ARG   3           HE       ARG   3  12.448 -12.143  -9.899
   20   1HH1  ARG   3          2HH1      ARG   3  11.559 -14.121 -12.661
   21   2HH1  ARG   3          1HH1      ARG   3  12.423 -13.129 -13.803
   22   1HH2  ARG   3          2HH2      ARG   3  13.598 -10.866 -11.387
   23   2HH2  ARG   3          1HH2      ARG   3  13.603 -11.292 -13.072
   24    H    LEU   4           H        LEU   4   9.618 -14.365  -5.604
   25    HA   LEU   4           HA       LEU   4   7.101 -14.672  -4.349
   26   1HB   LEU   4          2HB       LEU   4   9.412 -14.923  -3.306
   27   2HB   LEU   4          1HB       LEU   4   9.461 -13.173  -3.218
   28    HG   LEU   4           HG       LEU   4   7.037 -13.840  -2.026
   29   1HD1  LEU   4          1HD1      LEU   4   7.823 -15.442  -0.244
   30   2HD1  LEU   4          2HD1      LEU   4   7.530 -16.146  -1.832
   31   3HD1  LEU   4          3HD1      LEU   4   9.180 -15.823  -1.302
   32   1HD2  LEU   4          1HD2      LEU   4   9.189 -13.557  -0.117
   33   2HD2  LEU   4          2HD2      LEU   4   9.348 -12.410  -1.446
   34   3HD2  LEU   4          3HD2      LEU   4   7.864 -12.455  -0.495
   35    HA   PRO   5           HA       PRO   5   5.530 -10.666  -5.504
   36   1HB   PRO   5          2HB       PRO   5   3.154 -10.874  -4.210
   37   2HB   PRO   5          1HB       PRO   5   3.490 -11.688  -5.742
   38   1HG   PRO   5          2HG       PRO   5   3.568 -12.784  -2.955
   39   2HG   PRO   5          1HG       PRO   5   2.900 -13.513  -4.428
   40   1HD   PRO   5          2HD       PRO   5   5.318 -14.207  -3.447
   41   2HD   PRO   5          1HD       PRO   5   4.972 -14.189  -5.189
   42    H    LYS   6           H        LYS   6   6.089 -11.816  -2.327
   43    HA   LYS   6           HA       LYS   6   6.487 -10.843  -0.326
   44   1HB   LYS   6          2HB       LYS   6   6.689  -8.287  -1.936
   45   2HB   LYS   6          1HB       LYS   6   7.139  -8.453  -0.245
   46   1HG   LYS   6          2HG       LYS   6   9.078  -9.504  -0.722
   47   2HG   LYS   6          1HG       LYS   6   8.411 -10.333  -2.131
   48   1HD   LYS   6          2HD       LYS   6   8.620  -7.410  -2.375
   49   2HD   LYS   6          1HD       LYS   6  10.160  -8.264  -2.256
   50   1HE   LYS   6          2HE       LYS   6   9.998  -8.803  -4.402
   51   2HE   LYS   6          1HE       LYS   6   8.542  -9.731  -4.041
   52   1HZ   LYS   6          1HZ       LYS   6   7.508  -7.310  -4.139
   53   2HZ   LYS   6          2HZ       LYS   6   7.676  -8.277  -5.522
   54   3HZ   LYS   6          3HZ       LYS   6   8.817  -7.066  -5.191
   55    H    LEU   7           H        LEU   7   4.155 -11.546  -0.360
   56    HA   LEU   7           HA       LEU   7   2.012 -11.268   0.347
   57   1HB   LEU   7          2HB       LEU   7   3.171  -8.680   1.317
   58   2HB   LEU   7          1HB       LEU   7   1.451  -8.959   1.404
   59    HG   LEU   7           HG       LEU   7   2.264  -9.516   3.532
   60   1HD1  LEU   7          1HD1      LEU   7   1.834 -11.889   3.740
   61   2HD1  LEU   7          2HD1      LEU   7   0.710 -11.159   2.593
   62   3HD1  LEU   7          3HD1      LEU   7   2.077 -12.105   2.007
   63   1HD2  LEU   7          1HD2      LEU   7   4.579  -9.620   3.318
   64   2HD2  LEU   7          2HD2      LEU   7   4.129 -11.276   3.725
   65   3HD2  LEU   7          3HD2      LEU   7   4.504 -10.850   2.055
   66    H    TYR   8           H        TYR   8   0.760  -8.510   0.272
   67    HA   TYR   8           HA       TYR   8   0.420  -8.326  -2.643
   68   1HB   TYR   8          2HB       TYR   8  -1.695  -8.006  -0.497
   69   2HB   TYR   8          1HB       TYR   8  -1.956  -7.820  -2.232
   70    HD1  TYR   8           1HD      TYR   8  -1.112 -10.259   0.419
   71    HD2  TYR   8           2HD      TYR   8  -2.259  -9.705  -3.636
   72    HE1  TYR   8           1HE      TYR   8  -1.508 -12.669   0.212
   73    HE2  TYR   8           2HE      TYR   8  -2.677 -12.115  -3.852
   74    HH   TYR   8           HH       TYR   8  -2.306 -14.311  -1.085
   75    H    LEU   9           H        LEU   9   1.594  -6.580  -3.102
   76    HA   LEU   9           HA       LEU   9   1.847  -4.365  -1.347
   77   1HB   LEU   9          2HB       LEU   9   3.300  -5.325  -3.433
   78   2HB   LEU   9          1HB       LEU   9   2.518  -3.957  -4.188
   79    HG   LEU   9           HG       LEU   9   4.295  -3.879  -1.760
   80   1HD1  LEU   9          1HD1      LEU   9   5.347  -2.201  -3.639
   81   2HD1  LEU   9          2HD1      LEU   9   5.884  -3.854  -3.326
   82   3HD1  LEU   9          3HD1      LEU   9   4.732  -3.531  -4.622
   83   1HD2  LEU   9          1HD2      LEU   9   3.242  -2.015  -1.207
   84   2HD2  LEU   9          2HD2      LEU   9   3.938  -1.297  -2.659
   85   3HD2  LEU   9          3HD2      LEU   9   2.321  -1.999  -2.711
   86    H    CYS  10           H        CYS  10   0.677  -2.625  -1.135
   87    HA   CYS  10           HA       CYS  10  -1.722  -2.168  -2.579
   88   1HB   CYS  10          2HB       CYS  10  -1.995  -1.205  -0.556
   89   2HB   CYS  10          1HB       CYS  10  -0.266  -1.028  -0.311
   90    H    GLU  11           H        GLU  11   1.395  -0.527  -2.457
   91    HA   GLU  11           HA       GLU  11   2.634   0.555  -3.998
   92   1HB   GLU  11          2HB       GLU  11   0.455  -0.405  -5.810
   93   2HB   GLU  11          1HB       GLU  11   1.654   0.743  -6.395
   94   1HG   GLU  11          2HG       GLU  11   3.226  -1.129  -5.202
   95   2HG   GLU  11          1HG       GLU  11   1.895  -2.112  -5.814
   96    H    PHE  12           H        PHE  12  -0.419   1.519  -3.012
   97    HA   PHE  12           HA       PHE  12  -0.170   4.195  -4.177
   98   1HB   PHE  12          2HB       PHE  12  -2.241   3.097  -2.258
   99   2HB   PHE  12          1HB       PHE  12  -2.289   4.680  -3.024
  100    HD1  PHE  12           1HD      PHE  12  -3.471   1.414  -3.184
  101    HD2  PHE  12           2HD      PHE  12  -2.131   4.595  -5.671
  102    HE1  PHE  12           1HE      PHE  12  -4.698   0.442  -5.080
  103    HE2  PHE  12           2HE      PHE  12  -3.355   3.629  -7.573
  104    HZ   PHE  12           HZ       PHE  12  -4.641   1.549  -7.282
  105    H    CYS  13           H        CYS  13  -0.057   2.516  -1.074
  106    HA   CYS  13           HA       CYS  13   1.580   4.740  -0.056
  107   1HB   CYS  13          2HB       CYS  13   0.751   4.451   2.173
  108   2HB   CYS  13          1HB       CYS  13  -0.637   4.643   1.111
  109    H    LEU  14           H        LEU  14   1.510   1.688  -1.118
  110    HA   LEU  14           HA       LEU  14   2.965  -0.041  -1.127
  111   1HB   LEU  14          2HB       LEU  14   4.812   1.851   0.321
  112   2HB   LEU  14          1HB       LEU  14   5.281   0.385  -0.518
  113    HG   LEU  14           HG       LEU  14   3.844   2.430  -2.110
  114   1HD1  LEU  14          1HD1      LEU  14   5.710   3.836  -2.416
  115   2HD1  LEU  14          2HD1      LEU  14   5.496   3.680  -0.672
  116   3HD1  LEU  14          3HD1      LEU  14   6.762   2.765  -1.492
  117   1HD2  LEU  14          1HD2      LEU  14   4.533   1.044  -3.695
  118   2HD2  LEU  14          2HD2      LEU  14   6.198   1.500  -3.330
  119   3HD2  LEU  14          3HD2      LEU  14   5.466   0.113  -2.524
  120    H    LYS  15           H        LYS  15   1.130  -0.436   0.692
  121    HA   LYS  15           HA       LYS  15   2.615  -1.477   3.013
  122   1HB   LYS  15          2HB       LYS  15   0.932   0.349   3.518
  123   2HB   LYS  15          1HB       LYS  15  -0.320  -0.768   2.988
  124   1HG   LYS  15          2HG       LYS  15  -0.366  -1.120   5.244
  125   2HG   LYS  15          1HG       LYS  15   0.786  -2.361   4.750
  126   1HD   LYS  15          2HD       LYS  15   2.593  -0.619   5.205
  127   2HD   LYS  15          1HD       LYS  15   1.332   0.306   6.025
  128   1HE   LYS  15          2HE       LYS  15   2.217  -2.499   6.697
  129   2HE   LYS  15          1HE       LYS  15   2.595  -1.041   7.613
  130   1HZ   LYS  15          1HZ       LYS  15   0.704  -2.440   8.474
  131   2HZ   LYS  15          2HZ       LYS  15  -0.192  -1.928   7.127
  132   3HZ   LYS  15          3HZ       LYS  15   0.363  -0.794   8.255
  133    H    TYR  16           H        TYR  16   2.751  -3.594   3.029
  134    HA   TYR  16           HA       TYR  16   1.435  -5.201   1.126
  135   1HB   TYR  16          2HB       TYR  16   3.098  -5.859   3.551
  136   2HB   TYR  16          1HB       TYR  16   2.491  -7.087   2.442
  137    HD1  TYR  16           1HD      TYR  16   2.802  -5.638  -0.123
  138    HD2  TYR  16           2HD      TYR  16   5.399  -5.965   3.208
  139    HE1  TYR  16           1HE      TYR  16   4.724  -5.298  -1.619
  140    HE2  TYR  16           2HE      TYR  16   7.351  -5.625   1.740
  141    HH   TYR  16           HH       TYR  16   8.046  -5.569  -0.410
  142    H    MET  17           H        MET  17  -0.424  -6.205   1.163
  143    HA   MET  17           HA       MET  17  -1.881  -6.438   3.698
  144   1HB   MET  17          2HB       MET  17  -2.815  -6.715   0.836
  145   2HB   MET  17          1HB       MET  17  -3.837  -6.991   2.234
  146   1HG   MET  17          2HG       MET  17  -2.429  -4.395   1.694
  147   2HG   MET  17          1HG       MET  17  -4.074  -4.745   1.173
  148   1HE   MET  17          1HE       MET  17  -2.649  -2.448   3.728
  149   2HE   MET  17          2HE       MET  17  -2.565  -3.430   5.192
  150   3HE   MET  17          3HE       MET  17  -1.636  -3.892   3.766
  151    H    LYS  18           H        LYS  18  -2.752  -8.440   4.335
  152    HA   LYS  18           HA       LYS  18  -0.938 -10.575   3.757
  153   1HB   LYS  18          2HB       LYS  18  -2.962  -9.958   5.778
  154   2HB   LYS  18          1HB       LYS  18  -2.868 -11.667   5.378
  155   1HG   LYS  18          2HG       LYS  18  -1.402 -10.669   7.292
  156   2HG   LYS  18          1HG       LYS  18  -0.746 -11.895   6.205
  157   1HD   LYS  18          2HD       LYS  18   0.929 -10.488   5.787
  158   2HD   LYS  18          1HD       LYS  18  -0.231  -9.469   4.935
  159   1HE   LYS  18          2HE       LYS  18  -0.070  -7.887   6.489
  160   2HE   LYS  18          1HE       LYS  18  -0.431  -9.045   7.770
  161   1HZ   LYS  18          1HZ       LYS  18   2.000  -9.716   7.545
  162   2HZ   LYS  18          2HZ       LYS  18   1.674  -8.223   8.283
  163   3HZ   LYS  18          3HZ       LYS  18   2.206  -8.272   6.675
  164    H    SER  19           H        SER  19  -4.170  -9.791   2.760
  165    HA   SER  19           HA       SER  19  -4.245 -12.303   1.230
  166   1HB   SER  19          2HB       SER  19  -6.800 -11.084   2.151
  167   2HB   SER  19          1HB       SER  19  -6.409 -12.778   1.844
  168    HG   SER  19           HG       SER  19  -4.982 -12.518   3.789
  169    H    ARG  20           H        ARG  20  -5.522 -12.227  -0.716
  170    HA   ARG  20           HA       ARG  20  -5.093  -9.883  -2.246
  171   1HB   ARG  20          2HB       ARG  20  -5.601 -12.498  -2.825
  172   2HB   ARG  20          1HB       ARG  20  -7.155 -11.767  -3.198
  173   1HG   ARG  20          2HG       ARG  20  -6.377 -10.734  -5.032
  174   2HG   ARG  20          1HG       ARG  20  -4.829 -10.345  -4.279
  175   1HD   ARG  20          2HD       ARG  20  -4.142 -11.864  -5.844
  176   2HD   ARG  20          1HD       ARG  20  -4.446 -12.938  -4.480
  177    HE   ARG  20           HE       ARG  20  -6.641 -13.407  -5.538
  178   1HH1  ARG  20          2HH1      ARG  20  -4.006 -12.170  -7.488
  179   2HH1  ARG  20          1HH1      ARG  20  -4.624 -12.838  -8.974
  180   1HH2  ARG  20          2HH2      ARG  20  -7.444 -14.310  -7.483
  181   2HH2  ARG  20          1HH2      ARG  20  -6.552 -14.087  -8.961
  182    H    THR  21           H        THR  21  -7.968 -11.272  -0.715
  183    HA   THR  21           HA       THR  21  -9.851  -9.417  -1.673
  184    HB   THR  21           HB       THR  21 -10.852 -10.131   0.757
  185    HG1  THR  21           1HG      THR  21  -9.709 -11.713   1.565
  186   1HG2  THR  21          1HG2      THR  21 -11.933 -12.012  -0.433
  187   2HG2  THR  21          2HG2      THR  21 -10.807 -11.784  -1.772
  188   3HG2  THR  21          3HG2      THR  21 -11.963 -10.514  -1.366
  189    H    ILE  22           H        ILE  22  -7.816  -9.462   1.211
  190    HA   ILE  22           HA       ILE  22  -8.850  -7.151   2.430
  191    HB   ILE  22           HB       ILE  22  -6.227  -8.602   2.690
  192   1HG1  ILE  22          2HG1      ILE  22  -8.572  -8.263   4.570
  193   1HG2  ILE  22          1HG2      ILE  22  -5.301  -6.887   3.735
  194   2HG2  ILE  22          2HG2      ILE  22  -6.738  -5.911   3.427
  195   3HG2  ILE  22          3HG2      ILE  22  -6.628  -6.879   4.898
  196   1HD1  ILE  22          1HD1      ILE  22  -6.291 -10.209   4.778
  197   2HD1  ILE  22          2HD1      ILE  22  -6.408  -8.708   5.699
  198   3HD1  ILE  22          3HD1      ILE  22  -7.617  -9.972   5.920
  199    H    LEU  23           H        LEU  23  -6.271  -7.669   0.072
  200    HA   LEU  23           HA       LEU  23  -5.221  -5.051   0.079
  201   1HB   LEU  23          2HB       LEU  23  -4.469  -7.335  -1.076
  202   2HB   LEU  23          1HB       LEU  23  -5.305  -6.632  -2.443
  203    HG   LEU  23           HG       LEU  23  -2.691  -5.976  -1.294
  204   1HD1  LEU  23          1HD1      LEU  23  -3.982  -6.317  -3.856
  205   2HD1  LEU  23          2HD1      LEU  23  -2.913  -4.915  -3.827
  206   3HD1  LEU  23          3HD1      LEU  23  -2.289  -6.510  -3.403
  207   1HD2  LEU  23          1HD2      LEU  23  -3.854  -3.965  -0.578
  208   2HD2  LEU  23          2HD2      LEU  23  -2.747  -3.614  -1.905
  209   3HD2  LEU  23          3HD2      LEU  23  -4.480  -3.732  -2.210
  210    H    GLN  24           H        GLN  24  -7.878  -6.582  -1.651
  211    HA   GLN  24           HA       GLN  24  -8.527  -4.407  -3.339
  212   1HB   GLN  24          2HB       GLN  24  -9.729  -6.952  -2.582
  213   2HB   GLN  24          1HB       GLN  24 -10.923  -5.689  -2.850
  214   1HG   GLN  24          2HG       GLN  24  -8.747  -6.194  -4.838
  215   2HG   GLN  24          1HG       GLN  24 -10.219  -7.167  -4.827
  216   1HE2  GLN  24          1HE2      GLN  24 -11.715  -6.490  -6.159
  217   2HE2  GLN  24          2HE2      GLN  24 -11.989  -4.854  -6.655
  218    H    GLN  25           H        GLN  25  -9.526  -5.309  -0.074
  219    HA   GLN  25           HA       GLN  25 -11.437  -3.241   0.313
  220   1HB   GLN  25          2HB       GLN  25  -9.697  -4.517   2.432
  221   2HB   GLN  25          1HB       GLN  25 -11.236  -3.707   2.674
  222   1HG   GLN  25          2HG       GLN  25 -12.450  -5.482   1.841
  223   2HG   GLN  25          1HG       GLN  25 -11.082  -6.123   0.933
  224   1HE2  GLN  25          1HE2      GLN  25 -12.119  -8.056   2.127
  225   2HE2  GLN  25          2HE2      GLN  25 -11.389  -8.459   3.652
  226    H    HIS  26           H        HIS  26  -7.983  -3.524   0.975
  227    HA   HIS  26           HA       HIS  26  -7.615  -1.050   2.225
  228   1HB   HIS  26          2HB       HIS  26  -5.936  -2.804   2.341
  229   2HB   HIS  26          1HB       HIS  26  -5.680  -2.719   0.602
  230    HD1  HIS  26           1HD      HIS  26  -4.605  -1.182   3.806
  231    HD2  HIS  26           2HD      HIS  26  -4.377  -0.326  -0.274
  232    HE1  HIS  26           1HE      HIS  26  -2.863   0.650   3.538
  233    H    MET  27           H        MET  27  -7.453  -1.974  -1.178
  234    HA   MET  27           HA       MET  27  -6.486   0.477  -2.169
  235   1HB   MET  27          2HB       MET  27  -7.877  -1.879  -3.348
  236   2HB   MET  27          1HB       MET  27  -7.709  -0.424  -4.321
  237   1HG   MET  27          2HG       MET  27  -5.233  -0.533  -3.774
  238   2HG   MET  27          1HG       MET  27  -5.550  -2.158  -3.173
  239   1HE   MET  27          1HE       MET  27  -4.107  -3.422  -4.517
  240   2HE   MET  27          2HE       MET  27  -4.078  -3.571  -6.274
  241   3HE   MET  27          3HE       MET  27  -3.369  -2.154  -5.497
  242    H    LYS  28           H        LYS  28  -9.420  -0.192  -0.787
  243    HA   LYS  28           HA       LYS  28 -11.024   1.650  -2.327
  244   1HB   LYS  28          2HB       LYS  28 -11.471  -0.218  -0.120
  245   2HB   LYS  28          1HB       LYS  28 -12.327   1.305   0.086
  246   1HG   LYS  28          2HG       LYS  28 -13.816  -0.132  -1.026
  247   2HG   LYS  28          1HG       LYS  28 -13.209   0.975  -2.261
  248   1HD   LYS  28          2HD       LYS  28 -11.391  -1.009  -2.456
  249   2HD   LYS  28          1HD       LYS  28 -12.810  -1.929  -1.949
  250   1HE   LYS  28          2HE       LYS  28 -14.069  -1.190  -3.811
  251   2HE   LYS  28          1HE       LYS  28 -12.871   0.037  -4.224
  252   1HZ   LYS  28          1HZ       LYS  28 -12.490  -2.907  -4.394
  253   2HZ   LYS  28          2HZ       LYS  28 -11.310  -1.740  -4.768
  254   3HZ   LYS  28          3HZ       LYS  28 -12.717  -1.850  -5.701
  255    H    LYS  29           H        LYS  29  -9.525   1.595   0.898
  256    HA   LYS  29           HA       LYS  29 -10.135   4.334   1.447
  257   1HB   LYS  29          2HB       LYS  29  -7.819   3.338   2.885
  258   2HB   LYS  29          1HB       LYS  29  -9.372   3.872   3.506
  259   1HG   LYS  29          2HG       LYS  29  -9.914   1.786   3.988
  260   2HG   LYS  29          1HG       LYS  29  -9.720   1.325   2.295
  261   1HD   LYS  29          2HD       LYS  29  -7.793   0.294   2.707
  262   2HD   LYS  29          1HD       LYS  29  -7.169   1.672   3.614
  263   1HE   LYS  29          2HE       LYS  29  -9.241   0.108   4.989
  264   2HE   LYS  29          1HE       LYS  29  -7.735  -0.756   4.686
  265   1HZ   LYS  29          1HZ       LYS  29  -6.673   1.387   5.643
  266   2HZ   LYS  29          2HZ       LYS  29  -7.323   0.230   6.701
  267   3HZ   LYS  29          3HZ       LYS  29  -8.205   1.633   6.332
  268    H    CYS  30           H        CYS  30  -7.428   2.573   0.125
  269    HA   CYS  30           HA       CYS  30  -5.820   4.962  -0.190
  270   1HB   CYS  30          2HB       CYS  30  -5.335   2.173  -0.109
  271   2HB   CYS  30          1HB       CYS  30  -4.826   2.735  -1.693
  272    H    GLY  31           H        GLY  31  -8.086   5.508  -1.366
  273   1HA   GLY  31          1HA       GLY  31  -7.415   6.144  -4.015
  274   2HA   GLY  31          2HA       GLY  31  -8.483   4.740  -4.038
  275    H    TRP  32           H        TRP  32 -10.118   5.240  -1.933
  276    HA   TRP  32           HA       TRP  32 -11.658   7.582  -2.804
  277   1HB   TRP  32          2HB       TRP  32 -12.999   5.647  -2.760
  278   2HB   TRP  32          1HB       TRP  32 -12.297   5.093  -1.239
  279    HD1  TRP  32           HD       TRP  32 -13.568   5.670   0.867
  280    HE1  TRP  32           1HE      TRP  32 -15.492   7.271   1.480
  281    HE3  TRP  32           3HE      TRP  32 -14.047   8.053  -3.613
  282    HZ2  TRP  32           2HZ      TRP  32 -16.993   9.278   0.179
  283    HZ3  TRP  32           3HZ      TRP  32 -15.759   9.801  -3.851
  284    HH2  TRP  32           HH       TRP  32 -17.212  10.400  -1.986
  285    H    PHE  33           H        PHE  33 -11.195   5.997   0.355
  286    HA   PHE  33           HA       PHE  33  -9.570   7.806   1.596
  287   1HB   PHE  33          2HB       PHE  33 -12.125   8.998   1.179
  288   2HB   PHE  33          1HB       PHE  33 -11.973   8.654   2.903
  289    HD1  PHE  33           1HD      PHE  33 -12.197  11.289   2.746
  290    HD2  PHE  33           2HD      PHE  33  -8.759   9.058   1.598
  291    HE1  PHE  33           1HE      PHE  33 -10.804  13.301   3.010
  292    HE2  PHE  33           2HE      PHE  33  -7.362  11.061   1.866
  293    HZ   PHE  33           HZ       PHE  33  -8.384  13.186   2.567
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  12.359 -11.421   5.721
    2   2H    GLY   1          2H        GLY   1  13.374 -10.125   5.317
    3   3H    GLY   1          3H        GLY   1  12.124 -10.582   4.266
    4   1HA   GLY   1          2HA       GLY   1  12.004  -8.625   6.162
    5   2HA   GLY   1          1HA       GLY   1  10.637  -9.336   5.312
    6    H    SER   2           H        SER   2   9.411  -8.869   7.240
    7    HA   SER   2           HA       SER   2   9.705 -11.028   9.211
    8   1HB   SER   2          2HB       SER   2   8.557  -8.560  10.309
    9   2HB   SER   2          1HB       SER   2   9.780  -9.635  10.992
   10    HG   SER   2           HG       SER   2  10.099  -7.463   9.209
   11    H    ARG   3           H        ARG   3   7.639 -11.373  10.439
   12    HA   ARG   3           HA       ARG   3   5.432 -11.880  10.483
   13   1HB   ARG   3          2HB       ARG   3   5.153  -9.412   8.756
   14   2HB   ARG   3          1HB       ARG   3   3.830 -10.240   9.566
   15   1HG   ARG   3          2HG       ARG   3   6.114  -9.329  11.222
   16   2HG   ARG   3          1HG       ARG   3   5.000  -8.108  10.599
   17   1HD   ARG   3          2HD       ARG   3   3.920  -8.605  12.533
   18   2HD   ARG   3          1HD       ARG   3   3.212  -9.852  11.507
   19    HE   ARG   3           HE       ARG   3   5.393 -10.268  13.453
   20   1HH1  ARG   3          2HH1      ARG   3   2.780 -11.500  11.459
   21   2HH1  ARG   3          1HH1      ARG   3   2.863 -13.111  12.118
   22   1HH2  ARG   3          2HH2      ARG   3   5.505 -12.384  14.327
   23   2HH2  ARG   3          1HH2      ARG   3   4.376 -13.601  13.792
   24    H    LEU   4           H        LEU   4   7.185 -12.878   8.304
   25    HA   LEU   4           HA       LEU   4   7.074 -14.180   6.451
   26   1HB   LEU   4          2HB       LEU   4   4.904 -14.862   8.004
   27   2HB   LEU   4          1HB       LEU   4   4.175 -14.561   6.437
   28    HG   LEU   4           HG       LEU   4   5.713 -16.202   5.421
   29   1HD1  LEU   4          1HD1      LEU   4   7.157 -15.846   7.785
   30   2HD1  LEU   4          2HD1      LEU   4   6.547 -17.499   7.846
   31   3HD1  LEU   4          3HD1      LEU   4   7.513 -16.966   6.469
   32   1HD2  LEU   4          1HD2      LEU   4   3.457 -16.680   6.873
   33   2HD2  LEU   4          2HD2      LEU   4   4.287 -17.870   5.869
   34   3HD2  LEU   4          3HD2      LEU   4   4.604 -17.804   7.603
   35    HA   PRO   5           HA       PRO   5   5.651 -10.607   3.934
   36   1HB   PRO   5          2HB       PRO   5   8.244 -10.971   2.598
   37   2HB   PRO   5          1HB       PRO   5   7.576  -9.539   3.388
   38   1HG   PRO   5          2HG       PRO   5   9.600 -10.914   4.474
   39   2HG   PRO   5          1HG       PRO   5   8.334 -10.174   5.474
   40   1HD   PRO   5          2HD       PRO   5   8.619 -13.034   4.609
   41   2HD   PRO   5          1HD       PRO   5   8.232 -12.381   6.217
   42    H    LYS   6           H        LYS   6   6.782 -10.558   1.309
   43    HA   LYS   6           HA       LYS   6   6.392 -11.302  -0.796
   44   1HB   LYS   6          2HB       LYS   6   6.762 -13.772   0.670
   45   2HB   LYS   6          1HB       LYS   6   5.547 -13.973  -0.583
   46   1HG   LYS   6          2HG       LYS   6   7.241 -12.925  -2.167
   47   2HG   LYS   6          1HG       LYS   6   8.425 -13.196  -0.885
   48   1HD   LYS   6          2HD       LYS   6   7.176 -15.616  -1.015
   49   2HD   LYS   6          1HD       LYS   6   7.140 -15.098  -2.702
   50   1HE   LYS   6          2HE       LYS   6   9.672 -14.847  -1.146
   51   2HE   LYS   6          1HE       LYS   6   9.191 -16.429  -1.757
   52   1HZ   LYS   6          1HZ       LYS   6   9.525 -13.980  -3.414
   53   2HZ   LYS   6          2HZ       LYS   6   9.123 -15.529  -3.986
   54   3HZ   LYS   6          3HZ       LYS   6  10.646 -15.246  -3.299
   55    H    LEU   7           H        LEU   7   4.561  -9.869   0.148
   56    HA   LEU   7           HA       LEU   7   1.985 -11.278  -0.128
   57   1HB   LEU   7          2HB       LEU   7   2.336  -8.621   1.225
   58   2HB   LEU   7          1HB       LEU   7   1.026  -9.770   1.397
   59    HG   LEU   7           HG       LEU   7   3.830 -10.176   2.439
   60   1HD1  LEU   7          1HD1      LEU   7   2.012  -8.461   3.469
   61   2HD1  LEU   7          2HD1      LEU   7   1.598  -9.951   4.320
   62   3HD1  LEU   7          3HD1      LEU   7   3.239  -9.311   4.410
   63   1HD2  LEU   7          1HD2      LEU   7   1.630 -11.976   2.007
   64   2HD2  LEU   7          2HD2      LEU   7   3.256 -12.320   2.599
   65   3HD2  LEU   7          3HD2      LEU   7   1.989 -11.845   3.729
   66    H    TYR   8           H        TYR   8   0.343  -9.087  -0.388
   67    HA   TYR   8           HA       TYR   8   0.970  -8.228  -3.111
   68   1HB   TYR   8          2HB       TYR   8  -1.610  -7.550  -1.765
   69   2HB   TYR   8          1HB       TYR   8  -1.298  -7.946  -3.453
   70    HD1  TYR   8           1HD      TYR   8  -1.403 -10.195  -4.234
   71    HD2  TYR   8           2HD      TYR   8  -1.777  -9.358  -0.082
   72    HE1  TYR   8           1HE      TYR   8  -2.186 -12.484  -3.844
   73    HE2  TYR   8           2HE      TYR   8  -2.568 -11.643   0.317
   74    HH   TYR   8           HH       TYR   8  -3.700 -13.483  -1.054
   75    H    LEU   9           H        LEU   9   1.537  -6.211  -3.583
   76    HA   LEU   9           HA       LEU   9   1.928  -4.384  -1.364
   77   1HB   LEU   9          2HB       LEU   9   3.686  -4.991  -3.079
   78   2HB   LEU   9          1HB       LEU   9   2.777  -4.038  -4.234
   79    HG   LEU   9           HG       LEU   9   3.187  -2.018  -2.988
   80   1HD1  LEU   9          1HD1      LEU   9   4.136  -3.921  -0.907
   81   2HD1  LEU   9          2HD1      LEU   9   4.883  -2.327  -1.007
   82   3HD1  LEU   9          3HD1      LEU   9   3.145  -2.472  -0.742
   83   1HD2  LEU   9          1HD2      LEU   9   4.921  -2.579  -4.521
   84   2HD2  LEU   9          2HD2      LEU   9   5.694  -2.003  -3.044
   85   3HD2  LEU   9          3HD2      LEU   9   5.629  -3.732  -3.387
   86    H    CYS  10           H        CYS  10   0.953  -2.471  -1.085
   87    HA   CYS  10           HA       CYS  10  -1.259  -1.723  -2.784
   88   1HB   CYS  10          2HB       CYS  10  -1.797  -1.441  -0.505
   89   2HB   CYS  10          1HB       CYS  10  -0.221  -0.762  -0.122
   90    H    GLU  11           H        GLU  11  -1.115  -0.208  -4.247
   91    HA   GLU  11           HA       GLU  11   1.448   0.981  -4.824
   92   1HB   GLU  11          2HB       GLU  11  -1.169   0.760  -6.249
   93   2HB   GLU  11          1HB       GLU  11  -0.030   1.998  -6.760
   94   1HG   GLU  11          2HG       GLU  11   1.321   0.523  -7.739
   95   2HG   GLU  11          1HG       GLU  11   1.170  -0.640  -6.424
   96    H    PHE  12           H        PHE  12  -0.790   1.841  -2.677
   97    HA   PHE  12           HA       PHE  12  -0.666   4.701  -3.354
   98   1HB   PHE  12          2HB       PHE  12  -2.625   3.261  -1.561
   99   2HB   PHE  12          1HB       PHE  12  -2.662   4.975  -1.964
  100    HD1  PHE  12           1HD      PHE  12  -3.852   1.773  -2.826
  101    HD2  PHE  12           2HD      PHE  12  -2.771   5.531  -4.506
  102    HE1  PHE  12           1HE      PHE  12  -5.200   1.266  -4.820
  103    HE2  PHE  12           2HE      PHE  12  -4.117   5.029  -6.500
  104    HZ   PHE  12           HZ       PHE  12  -5.332   2.894  -6.659
  105    H    CYS  13           H        CYS  13  -0.211   2.416  -0.674
  106    HA   CYS  13           HA       CYS  13   1.392   4.533   0.597
  107   1HB   CYS  13          2HB       CYS  13   0.754   3.802   2.808
  108   2HB   CYS  13          1HB       CYS  13  -0.691   4.189   1.884
  109    H    LEU  14           H        LEU  14   1.447   1.693  -0.928
  110    HA   LEU  14           HA       LEU  14   2.916   0.015  -1.196
  111   1HB   LEU  14          2HB       LEU  14   4.675   2.205  -0.130
  112   2HB   LEU  14          1HB       LEU  14   5.325   0.664  -0.666
  113    HG   LEU  14           HG       LEU  14   3.521   1.847  -2.619
  114   1HD1  LEU  14          1HD1      LEU  14   4.601   3.862  -1.465
  115   2HD1  LEU  14          2HD1      LEU  14   6.094   3.323  -2.236
  116   3HD1  LEU  14          3HD1      LEU  14   4.696   3.750  -3.223
  117   1HD2  LEU  14          1HD2      LEU  14   5.105  -0.060  -2.938
  118   2HD2  LEU  14          2HD2      LEU  14   5.224   1.219  -4.146
  119   3HD2  LEU  14          3HD2      LEU  14   6.424   1.107  -2.857
  120    H    LYS  15           H        LYS  15   1.511  -0.822   0.668
  121    HA   LYS  15           HA       LYS  15   3.387  -1.966   2.612
  122   1HB   LYS  15          2HB       LYS  15   0.521  -1.158   3.152
  123   2HB   LYS  15          1HB       LYS  15   1.490  -2.148   4.236
  124   1HG   LYS  15          2HG       LYS  15   2.365   0.592   3.380
  125   2HG   LYS  15          1HG       LYS  15   1.296   0.336   4.761
  126   1HD   LYS  15          2HD       LYS  15   3.101  -1.324   5.561
  127   2HD   LYS  15          1HD       LYS  15   4.146  -0.516   4.391
  128   1HE   LYS  15          2HE       LYS  15   2.627   1.285   6.145
  129   2HE   LYS  15          1HE       LYS  15   3.811   0.273   6.970
  130   1HZ   LYS  15          1HZ       LYS  15   4.247   2.345   4.925
  131   2HZ   LYS  15          2HZ       LYS  15   5.365   1.084   5.085
  132   3HZ   LYS  15          3HZ       LYS  15   5.045   2.104   6.403
  133    H    TYR  16           H        TYR  16   2.814  -4.187   3.221
  134    HA   TYR  16           HA       TYR  16   1.564  -5.522   0.948
  135   1HB   TYR  16          2HB       TYR  16   3.459  -6.418   3.111
  136   2HB   TYR  16          1HB       TYR  16   2.699  -7.555   2.003
  137    HD1  TYR  16           1HD      TYR  16   5.447  -5.369   2.519
  138    HD2  TYR  16           2HD      TYR  16   3.050  -7.126  -0.523
  139    HE1  TYR  16           1HE      TYR  16   7.233  -4.951   0.879
  140    HE2  TYR  16           2HE      TYR  16   4.826  -6.712  -2.170
  141    HH   TYR  16           HH       TYR  16   7.637  -4.791  -1.409
  142    H    MET  17           H        MET  17  -0.323  -6.552   1.060
  143    HA   MET  17           HA       MET  17  -1.678  -6.754   3.642
  144   1HB   MET  17          2HB       MET  17  -2.752  -7.420   0.898
  145   2HB   MET  17          1HB       MET  17  -3.682  -7.225   2.375
  146   1HG   MET  17          2HG       MET  17  -2.444  -5.170   0.620
  147   2HG   MET  17          1HG       MET  17  -4.053  -5.233   1.330
  148   1HE   MET  17          1HE       MET  17  -1.450  -3.294   0.967
  149   2HE   MET  17          2HE       MET  17  -2.592  -2.211   1.767
  150   3HE   MET  17          3HE       MET  17  -1.001  -2.494   2.473
  151    H    LYS  18           H        LYS  18  -2.508  -8.692   4.483
  152    HA   LYS  18           HA       LYS  18  -0.896 -10.998   3.867
  153   1HB   LYS  18          2HB       LYS  18  -1.803 -10.171   6.177
  154   2HB   LYS  18          1HB       LYS  18  -3.236 -11.088   5.736
  155   1HG   LYS  18          2HG       LYS  18  -2.187 -12.792   6.731
  156   2HG   LYS  18          1HG       LYS  18  -1.276 -12.896   5.225
  157   1HD   LYS  18          2HD       LYS  18  -0.281 -10.993   7.266
  158   2HD   LYS  18          1HD       LYS  18  -0.104 -12.712   7.623
  159   1HE   LYS  18          2HE       LYS  18   0.672 -12.336   4.934
  160   2HE   LYS  18          1HE       LYS  18   1.445 -11.065   5.876
  161   1HZ   LYS  18          1HZ       LYS  18   2.072 -13.829   5.744
  162   2HZ   LYS  18          2HZ       LYS  18   1.768 -13.366   7.350
  163   3HZ   LYS  18          3HZ       LYS  18   2.952 -12.560   6.444
  164    H    SER  19           H        SER  19  -4.123  -9.946   3.102
  165    HA   SER  19           HA       SER  19  -4.451 -12.386   1.513
  166   1HB   SER  19          2HB       SER  19  -6.688 -11.163   3.146
  167   2HB   SER  19          1HB       SER  19  -6.784 -12.612   2.143
  168    HG   SER  19           HG       SER  19  -4.796 -13.042   3.771
  169    H    ARG  20           H        ARG  20  -5.672 -12.141  -0.389
  170    HA   ARG  20           HA       ARG  20  -5.303  -9.654  -1.644
  171   1HB   ARG  20          2HB       ARG  20  -5.556 -12.118  -2.588
  172   2HB   ARG  20          1HB       ARG  20  -7.226 -11.606  -2.808
  173   1HG   ARG  20          2HG       ARG  20  -6.627  -9.896  -4.285
  174   2HG   ARG  20          1HG       ARG  20  -4.933  -9.957  -3.798
  175   1HD   ARG  20          2HD       ARG  20  -5.622 -12.524  -4.738
  176   2HD   ARG  20          1HD       ARG  20  -6.246 -11.357  -5.906
  177    HE   ARG  20           HE       ARG  20  -3.790 -10.422  -5.597
  178   1HH1  ARG  20          2HH1      ARG  20  -4.881 -13.731  -5.942
  179   2HH1  ARG  20          1HH1      ARG  20  -3.412 -14.272  -6.702
  180   1HH2  ARG  20          2HH2      ARG  20  -1.846 -11.127  -6.591
  181   2HH2  ARG  20          1HH2      ARG  20  -1.692 -12.795  -7.078
  182    H    THR  21           H        THR  21  -8.149 -11.103  -0.153
  183    HA   THR  21           HA       THR  21 -10.020  -9.223  -1.142
  184    HB   THR  21           HB       THR  21 -10.220 -11.523   0.317
  185    HG1  THR  21           1HG      THR  21 -11.996 -11.088  -0.751
  186   1HG2  THR  21          1HG2      THR  21  -9.851 -10.814   2.477
  187   2HG2  THR  21          2HG2      THR  21 -11.604 -10.655   2.356
  188   3HG2  THR  21          3HG2      THR  21 -10.576  -9.231   2.197
  189    H    ILE  22           H        ILE  22  -7.667  -9.133   1.390
  190    HA   ILE  22           HA       ILE  22  -8.687  -6.795   2.703
  191    HB   ILE  22           HB       ILE  22  -6.044  -8.246   2.812
  192   1HG1  ILE  22          2HG1      ILE  22  -8.000  -7.793   5.056
  193   1HG2  ILE  22          1HG2      ILE  22  -5.578  -6.713   4.783
  194   2HG2  ILE  22          2HG2      ILE  22  -5.413  -6.014   3.171
  195   3HG2  ILE  22          3HG2      ILE  22  -6.849  -5.676   4.136
  196   1HD1  ILE  22          1HD1      ILE  22  -5.957  -8.673   5.844
  197   2HD1  ILE  22          2HD1      ILE  22  -7.098 -10.017   5.785
  198   3HD1  ILE  22          3HD1      ILE  22  -5.872  -9.845   4.526
  199    H    LEU  23           H        LEU  23  -6.279  -7.563   0.244
  200    HA   LEU  23           HA       LEU  23  -5.208  -4.978  -0.074
  201   1HB   LEU  23          2HB       LEU  23  -4.555  -7.387  -1.032
  202   2HB   LEU  23          1HB       LEU  23  -5.442  -6.795  -2.420
  203    HG   LEU  23           HG       LEU  23  -2.739  -6.295  -1.683
  204   1HD1  LEU  23          1HD1      LEU  23  -2.508  -5.752  -3.871
  205   2HD1  LEU  23          2HD1      LEU  23  -4.011  -6.673  -3.938
  206   3HD1  LEU  23          3HD1      LEU  23  -4.055  -4.911  -3.947
  207   1HD2  LEU  23          1HD2      LEU  23  -3.663  -4.342  -0.461
  208   2HD2  LEU  23          2HD2      LEU  23  -2.576  -3.919  -1.784
  209   3HD2  LEU  23          3HD2      LEU  23  -4.318  -3.754  -1.991
  210    H    GLN  24           H        GLN  24  -7.992  -6.607  -1.478
  211    HA   GLN  24           HA       GLN  24  -8.638  -4.670  -3.428
  212   1HB   GLN  24          2HB       GLN  24 -10.300  -6.738  -1.992
  213   2HB   GLN  24          1HB       GLN  24 -10.957  -5.700  -3.250
  214   1HG   GLN  24          2HG       GLN  24  -8.744  -7.717  -3.539
  215   2HG   GLN  24          1HG       GLN  24 -10.373  -7.816  -4.202
  216   1HE2  GLN  24          1HE2      GLN  24  -7.407  -7.488  -5.192
  217   2HE2  GLN  24          2HE2      GLN  24  -7.586  -6.367  -6.499
  218    H    GLN  25           H        GLN  25 -10.057  -5.205  -0.184
  219    HA   GLN  25           HA       GLN  25 -11.682  -2.902  -0.245
  220   1HB   GLN  25          2HB       GLN  25 -11.862  -3.199   2.215
  221   2HB   GLN  25          1HB       GLN  25 -12.177  -4.674   1.316
  222   1HG   GLN  25          2HG       GLN  25 -10.332  -5.724   2.108
  223   2HG   GLN  25          1HG       GLN  25  -9.405  -4.234   2.256
  224   1HE2  GLN  25          1HE2      GLN  25 -12.187  -5.911   3.656
  225   2HE2  GLN  25          2HE2      GLN  25 -11.904  -5.388   5.282
  226    H    HIS  26           H        HIS  26  -8.377  -3.427   0.752
  227    HA   HIS  26           HA       HIS  26  -8.009  -0.974   2.091
  228   1HB   HIS  26          2HB       HIS  26  -6.484  -2.822   2.466
  229   2HB   HIS  26          1HB       HIS  26  -6.013  -2.827   0.771
  230    HD1  HIS  26           1HD      HIS  26  -5.138  -1.330   4.024
  231    HD2  HIS  26           2HD      HIS  26  -4.520  -0.488  -0.010
  232    HE1  HIS  26           1HE      HIS  26  -3.320   0.455   3.917
  233    H    MET  27           H        MET  27  -7.137  -2.002  -1.211
  234    HA   MET  27           HA       MET  27  -5.937   0.401  -1.965
  235   1HB   MET  27          2HB       MET  27  -7.021  -1.961  -3.407
  236   2HB   MET  27          1HB       MET  27  -6.726  -0.509  -4.355
  237   1HG   MET  27          2HG       MET  27  -4.399  -0.514  -3.312
  238   2HG   MET  27          1HG       MET  27  -4.767  -2.163  -2.809
  239   1HE   MET  27          1HE       MET  27  -5.644  -3.672  -6.421
  240   2HE   MET  27          2HE       MET  27  -5.388  -4.166  -4.748
  241   3HE   MET  27          3HE       MET  27  -6.658  -3.006  -5.140
  242    H    LYS  28           H        LYS  28  -9.268  -0.446  -1.766
  243    HA   LYS  28           HA       LYS  28 -10.208   1.634  -3.502
  244   1HB   LYS  28          2HB       LYS  28 -11.399  -0.462  -1.804
  245   2HB   LYS  28          1HB       LYS  28 -12.369   0.994  -1.977
  246   1HG   LYS  28          2HG       LYS  28 -12.896  -0.778  -3.623
  247   2HG   LYS  28          1HG       LYS  28 -12.429   0.757  -4.355
  248   1HD   LYS  28          2HD       LYS  28 -10.028  -0.589  -4.108
  249   2HD   LYS  28          1HD       LYS  28 -11.172  -1.863  -4.536
  250   1HE   LYS  28          2HE       LYS  28 -11.684  -0.915  -6.570
  251   2HE   LYS  28          1HE       LYS  28 -11.221   0.704  -6.050
  252   1HZ   LYS  28          1HZ       LYS  28  -9.706  -0.489  -7.678
  253   2HZ   LYS  28          2HZ       LYS  28  -9.219  -1.453  -6.376
  254   3HZ   LYS  28          3HZ       LYS  28  -8.965   0.224  -6.332
  255    H    LYS  29           H        LYS  29  -9.229   1.426  -0.218
  256    HA   LYS  29           HA       LYS  29 -10.562   3.930   0.477
  257   1HB   LYS  29          2HB       LYS  29 -10.554   1.971   2.064
  258   2HB   LYS  29          1HB       LYS  29  -8.817   2.199   2.229
  259   1HG   LYS  29          2HG       LYS  29 -10.124   4.693   2.680
  260   2HG   LYS  29          1HG       LYS  29 -10.885   3.446   3.674
  261   1HD   LYS  29          2HD       LYS  29  -8.564   2.774   4.394
  262   2HD   LYS  29          1HD       LYS  29  -7.979   4.236   3.596
  263   1HE   LYS  29          2HE       LYS  29 -10.223   4.500   5.523
  264   2HE   LYS  29          1HE       LYS  29  -8.613   4.191   6.169
  265   1HZ   LYS  29          1HZ       LYS  29  -9.454   6.471   4.469
  266   2HZ   LYS  29          2HZ       LYS  29  -7.834   6.127   4.839
  267   3HZ   LYS  29          3HZ       LYS  29  -8.919   6.527   6.076
  268    H    CYS  30           H        CYS  30  -7.390   2.548  -0.010
  269    HA   CYS  30           HA       CYS  30  -5.906   4.850   0.773
  270   1HB   CYS  30          2HB       CYS  30  -5.336   2.216   0.165
  271   2HB   CYS  30          1HB       CYS  30  -4.639   3.091  -1.188
  272    H    GLY  31           H        GLY  31  -7.331   3.703  -2.216
  273   1HA   GLY  31          1HA       GLY  31  -5.959   5.559  -3.910
  274   2HA   GLY  31          2HA       GLY  31  -7.326   4.546  -4.360
  275    H    TRP  32           H        TRP  32  -6.998   7.068  -1.892
  276    HA   TRP  32           HA       TRP  32  -9.113   8.577  -3.273
  277   1HB   TRP  32          2HB       TRP  32  -8.766   7.882  -0.394
  278   2HB   TRP  32          1HB       TRP  32  -9.429   9.468  -0.776
  279    HD1  TRP  32           HD       TRP  32 -10.551   6.104  -0.050
  280    HE1  TRP  32           1HE      TRP  32 -12.954   5.691  -0.891
  281    HE3  TRP  32           3HE      TRP  32 -11.022  10.140  -3.157
  282    HZ2  TRP  32           2HZ      TRP  32 -14.796   6.920  -2.646
  283    HZ3  TRP  32           3HZ      TRP  32 -13.135  10.447  -4.382
  284    HH2  TRP  32           HH       TRP  32 -14.980   8.866  -4.134
  285    H    PHE  33           H        PHE  33  -6.207   8.717  -3.555
  286    HA   PHE  33           HA       PHE  33  -5.968  11.573  -3.201
  287   1HB   PHE  33          2HB       PHE  33  -4.084  11.634  -1.852
  288   2HB   PHE  33          1HB       PHE  33  -4.967  10.284  -1.142
  289    HD1  PHE  33           1HD      PHE  33  -4.326   7.920  -1.983
  290    HD2  PHE  33           2HD      PHE  33  -1.878  11.366  -2.487
  291    HE1  PHE  33           1HE      PHE  33  -2.357   6.476  -2.283
  292    HE2  PHE  33           2HE      PHE  33   0.094   9.926  -2.792
  293    HZ   PHE  33           HZ       PHE  33  -0.145   7.478  -2.689
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1   3.518 -17.377   4.253
    2   2H    GLY   1          2H        GLY   1   3.139 -16.203   3.095
    3   3H    GLY   1          3H        GLY   1   4.423 -15.945   4.170
    4   1HA   GLY   1          2HA       GLY   1   4.423 -18.255   2.337
    5   2HA   GLY   1          1HA       GLY   1   4.959 -16.675   1.786
    6    H    SER   2           H        SER   2   6.204 -19.438   2.552
    7    HA   SER   2           HA       SER   2   8.155 -18.698   4.538
    8   1HB   SER   2          2HB       SER   2   8.293 -21.085   2.696
    9   2HB   SER   2          1HB       SER   2   8.990 -20.910   4.308
   10    HG   SER   2           HG       SER   2   6.212 -20.989   3.687
   11    H    ARG   3           H        ARG   3  10.281 -18.190   4.231
   12    HA   ARG   3           HA       ARG   3  12.165 -17.424   3.223
   13   1HB   ARG   3          2HB       ARG   3  11.099 -19.183   1.207
   14   2HB   ARG   3          1HB       ARG   3  11.807 -17.762   0.452
   15   1HG   ARG   3          2HG       ARG   3  13.684 -18.475   2.334
   16   2HG   ARG   3          1HG       ARG   3  13.090 -20.025   1.738
   17   1HD   ARG   3          2HD       ARG   3  14.289 -17.769   0.151
   18   2HD   ARG   3          1HD       ARG   3  14.933 -19.396   0.367
   19    HE   ARG   3           HE       ARG   3  12.916 -20.157  -0.923
   20   1HH1  ARG   3          2HH1      ARG   3  14.224 -16.920  -1.315
   21   2HH1  ARG   3          1HH1      ARG   3  13.577 -16.721  -2.922
   22   1HH2  ARG   3          2HH2      ARG   3  12.039 -19.872  -3.019
   23   2HH2  ARG   3          1HH2      ARG   3  12.350 -18.399  -3.887
   24    H    LEU   4           H        LEU   4   9.728 -16.907   0.691
   25    HA   LEU   4           HA       LEU   4  10.096 -14.004   1.039
   26   1HB   LEU   4          2HB       LEU   4   8.701 -15.193  -1.324
   27   2HB   LEU   4          1HB       LEU   4   9.543 -13.661  -1.192
   28    HG   LEU   4           HG       LEU   4  11.311 -15.962  -0.844
   29   1HD1  LEU   4          1HD1      LEU   4  11.065 -17.048  -2.810
   30   2HD1  LEU   4          2HD1      LEU   4   9.391 -16.522  -2.629
   31   3HD1  LEU   4          3HD1      LEU   4  10.496 -15.612  -3.660
   32   1HD2  LEU   4          1HD2      LEU   4  11.445 -13.799  -2.920
   33   2HD2  LEU   4          2HD2      LEU   4  11.842 -13.485  -1.232
   34   3HD2  LEU   4          3HD2      LEU   4  12.765 -14.676  -2.146
   35    HA   PRO   5           HA       PRO   5   6.197 -13.962   3.118
   36   1HB   PRO   5          2HB       PRO   5   5.998 -11.270   1.877
   37   2HB   PRO   5          1HB       PRO   5   5.806 -11.744   3.565
   38   1HG   PRO   5          2HG       PRO   5   8.020 -10.525   2.742
   39   2HG   PRO   5          1HG       PRO   5   8.086 -11.831   3.939
   40   1HD   PRO   5          2HD       PRO   5   8.802 -11.870   1.046
   41   2HD   PRO   5          1HD       PRO   5   9.537 -12.745   2.405
   42    H    LYS   6           H        LYS   6   6.406 -12.726  -0.188
   43    HA   LYS   6           HA       LYS   6   4.998 -12.776  -1.954
   44   1HB   LYS   6          2HB       LYS   6   4.977 -15.388  -0.766
   45   2HB   LYS   6          1HB       LYS   6   3.389 -15.047  -1.441
   46   1HG   LYS   6          2HG       LYS   6   4.843 -16.180  -3.037
   47   2HG   LYS   6          1HG       LYS   6   4.379 -14.575  -3.603
   48   1HD   LYS   6          2HD       LYS   6   6.500 -13.703  -3.245
   49   2HD   LYS   6          1HD       LYS   6   6.936 -14.971  -2.098
   50   1HE   LYS   6          2HE       LYS   6   8.149 -15.400  -4.089
   51   2HE   LYS   6          1HE       LYS   6   6.850 -16.592  -4.020
   52   1HZ   LYS   6          1HZ       LYS   6   6.791 -15.849  -6.193
   53   2HZ   LYS   6          2HZ       LYS   6   7.110 -14.235  -5.779
   54   3HZ   LYS   6          3HZ       LYS   6   5.587 -14.907  -5.462
   55    H    LEU   7           H        LEU   7   4.121 -10.911  -0.581
   56    HA   LEU   7           HA       LEU   7   1.276 -11.393   0.026
   57   1HB   LEU   7          2HB       LEU   7   3.259  -9.389   1.016
   58   2HB   LEU   7          1HB       LEU   7   1.576  -8.941   0.956
   59    HG   LEU   7           HG       LEU   7   1.168  -9.965   2.879
   60   1HD1  LEU   7          1HD1      LEU   7   1.125 -12.237   3.125
   61   2HD1  LEU   7          2HD1      LEU   7   1.225 -12.117   1.369
   62   3HD1  LEU   7          3HD1      LEU   7   2.671 -12.468   2.313
   63   1HD2  LEU   7          1HD2      LEU   7   3.996 -10.910   3.092
   64   2HD2  LEU   7          2HD2      LEU   7   3.593  -9.191   3.163
   65   3HD2  LEU   7          3HD2      LEU   7   2.917 -10.305   4.348
   66    H    TYR   8           H        TYR   8   0.326  -8.839  -0.235
   67    HA   TYR   8           HA       TYR   8   0.725  -8.257  -3.098
   68   1HB   TYR   8          2HB       TYR   8  -1.849  -7.556  -1.768
   69   2HB   TYR   8          1HB       TYR   8  -1.544  -8.054  -3.433
   70    HD1  TYR   8           1HD      TYR   8  -1.943  -9.245   0.022
   71    HD2  TYR   8           2HD      TYR   8  -1.681 -10.356  -4.068
   72    HE1  TYR   8           1HE      TYR   8  -2.631 -11.514   0.613
   73    HE2  TYR   8           2HE      TYR   8  -2.385 -12.642  -3.498
   74    HH   TYR   8           HH       TYR   8  -2.706 -14.106  -1.806
   75    H    LEU   9           H        LEU   9   1.296  -6.237  -3.561
   76    HA   LEU   9           HA       LEU   9   1.691  -4.432  -1.325
   77   1HB   LEU   9          2HB       LEU   9   3.486  -5.012  -2.977
   78   2HB   LEU   9          1HB       LEU   9   2.585  -4.124  -4.189
   79    HG   LEU   9           HG       LEU   9   2.872  -2.052  -2.913
   80   1HD1  LEU   9          1HD1      LEU   9   4.867  -3.261  -1.098
   81   2HD1  LEU   9          2HD1      LEU   9   3.749  -1.921  -0.832
   82   3HD1  LEU   9          3HD1      LEU   9   3.172  -3.584  -0.727
   83   1HD2  LEU   9          1HD2      LEU   9   5.189  -3.685  -3.803
   84   2HD2  LEU   9          2HD2      LEU   9   4.562  -2.157  -4.434
   85   3HD2  LEU   9          3HD2      LEU   9   5.521  -2.174  -2.953
   86    H    CYS  10           H        CYS  10   0.973  -2.346  -1.187
   87    HA   CYS  10           HA       CYS  10  -1.420  -1.642  -2.603
   88   1HB   CYS  10          2HB       CYS  10  -1.317  -1.067  -0.262
   89   2HB   CYS  10          1HB       CYS  10   0.233  -0.288  -0.461
   90    H    GLU  11           H        GLU  11  -1.233   0.895  -3.134
   91    HA   GLU  11           HA       GLU  11   1.096   1.276  -4.885
   92   1HB   GLU  11          2HB       GLU  11  -1.792   1.273  -5.623
   93   2HB   GLU  11          1HB       GLU  11  -0.728   2.413  -6.435
   94   1HG   GLU  11          2HG       GLU  11   0.521  -0.138  -6.425
   95   2HG   GLU  11          1HG       GLU  11  -1.135  -0.316  -7.004
   96    H    PHE  12           H        PHE  12  -0.903   2.450  -2.499
   97    HA   PHE  12           HA       PHE  12  -0.291   5.248  -3.174
   98   1HB   PHE  12          2HB       PHE  12  -2.469   4.200  -1.355
   99   2HB   PHE  12          1HB       PHE  12  -2.215   5.878  -1.827
  100    HD1  PHE  12           1HD      PHE  12  -3.775   2.772  -2.678
  101    HD2  PHE  12           2HD      PHE  12  -2.435   6.485  -4.276
  102    HE1  PHE  12           1HE      PHE  12  -5.219   2.446  -4.642
  103    HE2  PHE  12           2HE      PHE  12  -3.867   6.154  -6.250
  104    HZ   PHE  12           HZ       PHE  12  -5.265   4.137  -6.430
  105    H    CYS  13           H        CYS  13  -0.276   2.874  -0.541
  106    HA   CYS  13           HA       CYS  13   1.559   4.687   0.877
  107   1HB   CYS  13          2HB       CYS  13   0.875   3.787   2.992
  108   2HB   CYS  13          1HB       CYS  13  -0.564   4.296   2.120
  109    H    LEU  14           H        LEU  14   1.176   1.778  -0.725
  110    HA   LEU  14           HA       LEU  14   2.518   0.026  -1.183
  111   1HB   LEU  14          2HB       LEU  14   4.655   1.909  -0.198
  112   2HB   LEU  14          1HB       LEU  14   4.949   0.432  -1.097
  113    HG   LEU  14           HG       LEU  14   3.164   2.497  -2.300
  114   1HD1  LEU  14          1HD1      LEU  14   5.428   3.296  -3.379
  115   2HD1  LEU  14          2HD1      LEU  14   4.828   3.996  -1.876
  116   3HD1  LEU  14          3HD1      LEU  14   6.087   2.762  -1.831
  117   1HD2  LEU  14          1HD2      LEU  14   3.244   0.849  -3.816
  118   2HD2  LEU  14          2HD2      LEU  14   4.820   1.527  -4.226
  119   3HD2  LEU  14          3HD2      LEU  14   4.710   0.150  -3.128
  120    H    LYS  15           H        LYS  15   1.326  -0.849   0.745
  121    HA   LYS  15           HA       LYS  15   3.319  -1.932   2.607
  122   1HB   LYS  15          2HB       LYS  15   0.487  -1.070   3.143
  123   2HB   LYS  15          1HB       LYS  15   1.195  -2.381   4.076
  124   1HG   LYS  15          2HG       LYS  15   3.025  -0.191   4.004
  125   2HG   LYS  15          1HG       LYS  15   1.436   0.384   4.512
  126   1HD   LYS  15          2HD       LYS  15   2.780  -2.029   5.712
  127   2HD   LYS  15          1HD       LYS  15   2.962  -0.399   6.362
  128   1HE   LYS  15          2HE       LYS  15   1.075  -0.659   7.500
  129   2HE   LYS  15          1HE       LYS  15   0.200  -0.843   5.980
  130   1HZ   LYS  15          1HZ       LYS  15   0.309  -3.134   6.091
  131   2HZ   LYS  15          2HZ       LYS  15   0.069  -2.714   7.712
  132   3HZ   LYS  15          3HZ       LYS  15   1.617  -3.140   7.170
  133    H    TYR  16           H        TYR  16   2.798  -4.182   3.249
  134    HA   TYR  16           HA       TYR  16   1.685  -5.585   0.927
  135   1HB   TYR  16          2HB       TYR  16   3.584  -6.442   3.109
  136   2HB   TYR  16          1HB       TYR  16   2.895  -7.568   1.945
  137    HD1  TYR  16           1HD      TYR  16   3.318  -7.092  -0.551
  138    HD2  TYR  16           2HD      TYR  16   5.526  -5.252   2.590
  139    HE1  TYR  16           1HE      TYR  16   5.137  -6.566  -2.135
  140    HE2  TYR  16           2HE      TYR  16   7.337  -4.725   1.018
  141    HH   TYR  16           HH       TYR  16   7.282  -4.426  -1.846
  142    H    MET  17           H        MET  17  -0.172  -6.647   1.037
  143    HA   MET  17           HA       MET  17  -1.496  -6.887   3.640
  144   1HB   MET  17          2HB       MET  17  -2.665  -7.542   0.940
  145   2HB   MET  17          1HB       MET  17  -3.530  -7.269   2.442
  146   1HG   MET  17          2HG       MET  17  -2.242  -5.300   0.610
  147   2HG   MET  17          1HG       MET  17  -3.875  -5.329   1.260
  148   1HE   MET  17          1HE       MET  17  -2.485  -2.794   1.043
  149   2HE   MET  17          2HE       MET  17  -1.766  -2.094   2.493
  150   3HE   MET  17          3HE       MET  17  -0.809  -3.160   1.462
  151    H    LYS  18           H        LYS  18  -2.185  -8.827   4.501
  152    HA   LYS  18           HA       LYS  18  -0.662 -11.129   3.612
  153   1HB   LYS  18          2HB       LYS  18  -2.273 -10.441   6.029
  154   2HB   LYS  18          1HB       LYS  18  -1.947 -12.134   5.683
  155   1HG   LYS  18          2HG       LYS  18  -0.104 -11.772   6.899
  156   2HG   LYS  18          1HG       LYS  18   0.525 -11.090   5.397
  157   1HD   LYS  18          2HD       LYS  18  -1.001  -9.119   6.831
  158   2HD   LYS  18          1HD       LYS  18   0.248  -9.804   7.873
  159   1HE   LYS  18          2HE       LYS  18   1.448  -9.374   5.368
  160   2HE   LYS  18          1HE       LYS  18   0.501  -7.929   5.716
  161   1HZ   LYS  18          1HZ       LYS  18   2.672  -7.638   6.608
  162   2HZ   LYS  18          2HZ       LYS  18   2.618  -9.130   7.411
  163   3HZ   LYS  18          3HZ       LYS  18   1.612  -7.865   7.915
  164    H    SER  19           H        SER  19  -3.924  -9.985   3.408
  165    HA   SER  19           HA       SER  19  -4.638 -12.498   2.062
  166   1HB   SER  19          2HB       SER  19  -6.702 -10.836   3.494
  167   2HB   SER  19          1HB       SER  19  -6.803 -12.519   2.980
  168    HG   SER  19           HG       SER  19  -5.256 -13.035   4.588
  169    H    ARG  20           H        ARG  20  -5.798 -12.304   0.160
  170    HA   ARG  20           HA       ARG  20  -5.296  -9.965  -1.314
  171   1HB   ARG  20          2HB       ARG  20  -5.763 -12.486  -2.022
  172   2HB   ARG  20          1HB       ARG  20  -7.386 -11.852  -2.263
  173   1HG   ARG  20          2HG       ARG  20  -6.457 -10.116  -3.743
  174   2HG   ARG  20          1HG       ARG  20  -4.860 -10.842  -3.548
  175   1HD   ARG  20          2HD       ARG  20  -5.521 -11.848  -5.487
  176   2HD   ARG  20          1HD       ARG  20  -6.133 -13.015  -4.317
  177    HE   ARG  20           HE       ARG  20  -8.332 -12.005  -4.588
  178   1HH1  ARG  20          2HH1      ARG  20  -5.920 -11.128  -6.981
  179   2HH1  ARG  20          1HH1      ARG  20  -7.091 -10.847  -8.241
  180   1HH2  ARG  20          2HH2      ARG  20  -9.869 -11.614  -6.237
  181   2HH2  ARG  20          1HH2      ARG  20  -9.333 -11.064  -7.799
  182    H    THR  21           H        THR  21  -8.184 -11.104   0.337
  183    HA   THR  21           HA       THR  21 -10.040  -9.291  -0.743
  184    HB   THR  21           HB       THR  21 -11.076  -9.608   1.676
  185    HG1  THR  21           1HG      THR  21  -9.984 -12.027   1.922
  186   1HG2  THR  21          1HG2      THR  21 -10.824 -11.999  -0.138
  187   2HG2  THR  21          2HG2      THR  21 -11.808 -10.592  -0.544
  188   3HG2  THR  21          3HG2      THR  21 -12.186 -11.550   0.887
  189    H    ILE  22           H        ILE  22  -7.689  -9.000   1.830
  190    HA   ILE  22           HA       ILE  22  -8.558  -6.514   2.871
  191    HB   ILE  22           HB       ILE  22  -5.920  -7.970   2.955
  192   1HG1  ILE  22          2HG1      ILE  22  -7.675  -7.255   5.282
  193   1HG2  ILE  22          1HG2      ILE  22  -6.175  -5.798   4.861
  194   2HG2  ILE  22          2HG2      ILE  22  -4.826  -6.231   3.804
  195   3HG2  ILE  22          3HG2      ILE  22  -6.146  -5.236   3.188
  196   1HD1  ILE  22          1HD1      ILE  22  -5.368  -8.260   5.570
  197   2HD1  ILE  22          2HD1      ILE  22  -6.707  -9.081   6.374
  198   3HD1  ILE  22          3HD1      ILE  22  -6.044  -9.734   4.875
  199    H    LEU  23           H        LEU  23  -6.016  -7.432   0.556
  200    HA   LEU  23           HA       LEU  23  -5.145  -4.855  -0.109
  201   1HB   LEU  23          2HB       LEU  23  -4.296  -7.283  -0.752
  202   2HB   LEU  23          1HB       LEU  23  -5.229  -6.979  -2.204
  203    HG   LEU  23           HG       LEU  23  -2.581  -6.252  -1.709
  204   1HD1  LEU  23          1HD1      LEU  23  -2.681  -5.307  -3.915
  205   2HD1  LEU  23          2HD1      LEU  23  -3.619  -6.797  -3.856
  206   3HD1  LEU  23          3HD1      LEU  23  -4.440  -5.234  -3.839
  207   1HD2  LEU  23          1HD2      LEU  23  -2.773  -3.747  -2.152
  208   2HD2  LEU  23          2HD2      LEU  23  -4.409  -3.884  -1.505
  209   3HD2  LEU  23          3HD2      LEU  23  -3.025  -4.312  -0.498
  210    H    GLN  24           H        GLN  24  -7.720  -6.837  -1.524
  211    HA   GLN  24           HA       GLN  24  -8.356  -5.199  -3.685
  212   1HB   GLN  24          2HB       GLN  24  -9.937  -7.175  -2.068
  213   2HB   GLN  24          1HB       GLN  24 -10.716  -6.239  -3.335
  214   1HG   GLN  24          2HG       GLN  24  -8.890  -7.088  -4.877
  215   2HG   GLN  24          1HG       GLN  24  -8.493  -8.231  -3.599
  216   1HE2  GLN  24          1HE2      GLN  24 -10.070  -7.967  -6.399
  217   2HE2  GLN  24          2HE2      GLN  24 -11.322  -9.144  -6.175
  218    H    GLN  25           H        GLN  25  -9.760  -5.233  -0.411
  219    HA   GLN  25           HA       GLN  25 -11.455  -2.986  -0.876
  220   1HB   GLN  25          2HB       GLN  25 -10.555  -4.477   1.561
  221   2HB   GLN  25          1HB       GLN  25 -11.442  -2.968   1.725
  222   1HG   GLN  25          2HG       GLN  25 -13.346  -3.850   0.680
  223   2HG   GLN  25          1HG       GLN  25 -12.464  -5.246   0.071
  224   1HE2  GLN  25          1HE2      GLN  25 -11.395  -6.551   1.881
  225   2HE2  GLN  25          2HE2      GLN  25 -12.389  -6.881   3.258
  226    H    HIS  26           H        HIS  26  -8.228  -3.413   0.439
  227    HA   HIS  26           HA       HIS  26  -7.849  -0.903   1.569
  228   1HB   HIS  26          2HB       HIS  26  -6.318  -2.810   1.902
  229   2HB   HIS  26          1HB       HIS  26  -5.776  -2.660   0.234
  230    HD1  HIS  26           1HD      HIS  26  -5.290  -1.205   3.632
  231    HD2  HIS  26           2HD      HIS  26  -4.195  -0.368  -0.314
  232    HE1  HIS  26           1HE      HIS  26  -3.526   0.635   3.730
  233    H    MET  27           H        MET  27  -7.337  -1.979  -1.758
  234    HA   MET  27           HA       MET  27  -6.054   0.370  -2.630
  235   1HB   MET  27          2HB       MET  27  -7.377  -1.932  -3.992
  236   2HB   MET  27          1HB       MET  27  -6.947  -0.515  -4.942
  237   1HG   MET  27          2HG       MET  27  -4.620  -0.765  -3.901
  238   2HG   MET  27          1HG       MET  27  -5.150  -2.381  -3.437
  239   1HE   MET  27          1HE       MET  27  -2.781  -2.141  -4.665
  240   2HE   MET  27          2HE       MET  27  -2.726  -3.163  -6.101
  241   3HE   MET  27          3HE       MET  27  -2.675  -1.409  -6.266
  242    H    LYS  28           H        LYS  28  -9.348  -0.299  -1.992
  243    HA   LYS  28           HA       LYS  28 -10.186   2.121  -3.440
  244   1HB   LYS  28          2HB       LYS  28 -12.338   0.744  -2.073
  245   2HB   LYS  28          1HB       LYS  28 -12.186   1.164  -3.772
  246   1HG   LYS  28          2HG       LYS  28 -10.734  -1.196  -2.650
  247   2HG   LYS  28          1HG       LYS  28 -12.434  -1.310  -3.108
  248   1HD   LYS  28          2HD       LYS  28 -11.581  -0.208  -5.333
  249   2HD   LYS  28          1HD       LYS  28 -10.029  -0.866  -4.813
  250   1HE   LYS  28          2HE       LYS  28 -10.611  -2.890  -5.504
  251   2HE   LYS  28          1HE       LYS  28 -12.052  -2.855  -4.489
  252   1HZ   LYS  28          1HZ       LYS  28 -12.267  -3.096  -7.054
  253   2HZ   LYS  28          2HZ       LYS  28 -12.063  -1.413  -7.053
  254   3HZ   LYS  28          3HZ       LYS  28 -13.353  -2.112  -6.203
  255    H    LYS  29           H        LYS  29  -8.724   1.629  -0.755
  256    HA   LYS  29           HA       LYS  29 -10.434   3.394   0.870
  257   1HB   LYS  29          2HB       LYS  29 -10.255   1.115   1.801
  258   2HB   LYS  29          1HB       LYS  29  -8.506   1.265   1.820
  259   1HG   LYS  29          2HG       LYS  29  -9.342   3.463   3.248
  260   2HG   LYS  29          1HG       LYS  29 -10.479   2.202   3.725
  261   1HD   LYS  29          2HD       LYS  29  -8.590   0.721   4.259
  262   2HD   LYS  29          1HD       LYS  29  -7.470   2.007   3.809
  263   1HE   LYS  29          2HE       LYS  29  -7.797   3.143   5.726
  264   2HE   LYS  29          1HE       LYS  29  -9.518   2.764   5.778
  265   1HZ   LYS  29          1HZ       LYS  29  -7.240   1.154   6.749
  266   2HZ   LYS  29          2HZ       LYS  29  -8.727   0.420   6.386
  267   3HZ   LYS  29          3HZ       LYS  29  -8.645   1.623   7.580
  268    H    CYS  30           H        CYS  30  -7.259   2.645  -0.294
  269    HA   CYS  30           HA       CYS  30  -5.931   4.695   1.214
  270   1HB   CYS  30          2HB       CYS  30  -5.117   2.403   0.001
  271   2HB   CYS  30          1HB       CYS  30  -4.601   3.594  -1.182
  272    H    GLY  31           H        GLY  31  -7.896   4.739  -1.472
  273   1HA   GLY  31          1HA       GLY  31  -6.553   7.112  -2.592
  274   2HA   GLY  31          2HA       GLY  31  -7.679   6.082  -3.474
  275    H    TRP  32           H        TRP  32  -7.696   7.939  -0.411
  276    HA   TRP  32           HA       TRP  32 -10.192   9.200  -1.334
  277   1HB   TRP  32          2HB       TRP  32  -9.653   7.872   1.311
  278   2HB   TRP  32          1HB       TRP  32 -10.884   9.120   1.148
  279    HD1  TRP  32           HD       TRP  32 -10.696   5.559   1.229
  280    HE1  TRP  32           1HE      TRP  32 -12.631   4.440  -0.043
  281    HE3  TRP  32           3HE      TRP  32 -12.347   9.591  -1.458
  282    HZ2  TRP  32           2HZ      TRP  32 -14.604   5.170  -1.921
  283    HZ3  TRP  32           3HZ      TRP  32 -14.267   9.291  -2.967
  284    HH2  TRP  32           HH       TRP  32 -15.368   7.125  -3.195
  285    H    PHE  33           H        PHE  33  -7.096   9.723  -0.505
  286    HA   PHE  33           HA       PHE  33  -7.667  12.447   0.401
  287   1HB   PHE  33          2HB       PHE  33  -6.104  10.377   1.837
  288   2HB   PHE  33          1HB       PHE  33  -5.366  11.977   1.751
  289    HD1  PHE  33           1HD      PHE  33  -7.967   9.948   3.225
  290    HD2  PHE  33           2HD      PHE  33  -6.544  13.926   2.721
  291    HE1  PHE  33           1HE      PHE  33  -9.364  10.682   5.111
  292    HE2  PHE  33           2HE      PHE  33  -7.943  14.669   4.607
  293    HZ   PHE  33           HZ       PHE  33  -9.353  13.045   5.803
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1   6.856 -14.330   7.939
    2   2H    GLY   1          2H        GLY   1   6.927 -13.915   6.296
    3   3H    GLY   1          3H        GLY   1   8.021 -15.045   6.931
    4   1HA   GLY   1          2HA       GLY   1   5.780 -16.267   7.575
    5   2HA   GLY   1          1HA       GLY   1   5.232 -15.377   6.159
    6    H    SER   2           H        SER   2   5.605 -18.275   6.557
    7    HA   SER   2           HA       SER   2   7.944 -19.028   5.092
    8   1HB   SER   2          2HB       SER   2   5.618 -20.869   5.499
    9   2HB   SER   2          1HB       SER   2   7.345 -21.221   5.568
   10    HG   SER   2           HG       SER   2   7.294 -20.832   7.618
   11    H    ARG   3           H        ARG   3   4.791 -18.049   4.181
   12    HA   ARG   3           HA       ARG   3   4.618 -19.518   1.734
   13   1HB   ARG   3          2HB       ARG   3   2.724 -18.379   3.091
   14   2HB   ARG   3          1HB       ARG   3   3.201 -16.917   2.242
   15   1HG   ARG   3          2HG       ARG   3   2.214 -17.556   0.352
   16   2HG   ARG   3          1HG       ARG   3   2.810 -19.211   0.485
   17   1HD   ARG   3          2HD       ARG   3   0.657 -18.299   2.328
   18   2HD   ARG   3          1HD       ARG   3   0.242 -18.674   0.657
   19    HE   ARG   3           HE       ARG   3   1.534 -20.880   1.279
   20   1HH1  ARG   3          2HH1      ARG   3  -0.732 -19.058   3.247
   21   2HH1  ARG   3          1HH1      ARG   3  -1.315 -20.461   4.101
   22   1HH2  ARG   3          2HH2      ARG   3   0.783 -22.723   2.425
   23   2HH2  ARG   3          1HH2      ARG   3  -0.434 -22.536   3.657
   24    H    LEU   4           H        LEU   4   4.509 -15.990   1.835
   25    HA   LEU   4           HA       LEU   4   6.955 -15.712   0.350
   26   1HB   LEU   4          2HB       LEU   4   5.046 -16.373  -1.288
   27   2HB   LEU   4          1HB       LEU   4   4.493 -14.727  -1.048
   28    HG   LEU   4           HG       LEU   4   7.070 -14.245  -1.666
   29   1HD1  LEU   4          1HD1      LEU   4   7.051 -16.898  -2.064
   30   2HD1  LEU   4          2HD1      LEU   4   6.532 -16.351  -3.660
   31   3HD1  LEU   4          3HD1      LEU   4   8.061 -15.782  -2.986
   32   1HD2  LEU   4          1HD2      LEU   4   6.288 -13.497  -3.737
   33   2HD2  LEU   4          2HD2      LEU   4   5.064 -14.761  -3.834
   34   3HD2  LEU   4          3HD2      LEU   4   4.871 -13.433  -2.689
   35    HA   PRO   5           HA       PRO   5   6.524 -12.056   2.894
   36   1HB   PRO   5          2HB       PRO   5   9.072 -11.328   1.595
   37   2HB   PRO   5          1HB       PRO   5   8.691 -11.491   3.313
   38   1HG   PRO   5          2HG       PRO   5  10.184 -13.317   2.077
   39   2HG   PRO   5          1HG       PRO   5   8.983 -13.789   3.294
   40   1HD   PRO   5          2HD       PRO   5   8.793 -13.916   0.303
   41   2HD   PRO   5          1HD       PRO   5   8.293 -15.117   1.514
   42    H    LYS   6           H        LYS   6   7.031 -12.175  -0.521
   43    HA   LYS   6           HA       LYS   6   6.432  -9.373  -0.955
   44   1HB   LYS   6          2HB       LYS   6   6.828 -11.720  -2.805
   45   2HB   LYS   6          1HB       LYS   6   6.283 -10.153  -3.387
   46   1HG   LYS   6          2HG       LYS   6   8.766 -10.324  -1.745
   47   2HG   LYS   6          1HG       LYS   6   8.809 -10.780  -3.450
   48   1HD   LYS   6          2HD       LYS   6   7.403  -8.275  -3.000
   49   2HD   LYS   6          1HD       LYS   6   9.073  -8.225  -2.432
   50   1HE   LYS   6          2HE       LYS   6   9.650  -7.816  -4.545
   51   2HE   LYS   6          1HE       LYS   6   9.250  -9.502  -4.876
   52   1HZ   LYS   6          1HZ       LYS   6   7.178  -7.403  -4.952
   53   2HZ   LYS   6          2HZ       LYS   6   7.166  -8.931  -5.690
   54   3HZ   LYS   6          3HZ       LYS   6   8.163  -7.697  -6.302
   55    H    LEU   7           H        LEU   7   4.490  -9.464   0.313
   56    HA   LEU   7           HA       LEU   7   2.283 -11.097  -0.344
   57   1HB   LEU   7          2HB       LEU   7   2.786  -8.743   1.385
   58   2HB   LEU   7          1HB       LEU   7   1.123  -9.026   0.927
   59    HG   LEU   7           HG       LEU   7   1.530  -9.999   3.079
   60   1HD1  LEU   7          1HD1      LEU   7   1.497 -12.576   1.908
   61   2HD1  LEU   7          2HD1      LEU   7   0.138 -11.623   2.505
   62   3HD1  LEU   7          3HD1      LEU   7   0.644 -11.481   0.820
   63   1HD2  LEU   7          1HD2      LEU   7   3.159 -11.942   3.228
   64   2HD2  LEU   7          2HD2      LEU   7   3.841 -11.342   1.715
   65   3HD2  LEU   7          3HD2      LEU   7   3.850 -10.321   3.154
   66    H    TYR   8           H        TYR   8   0.191  -9.224  -0.297
   67    HA   TYR   8           HA       TYR   8   0.169  -8.360  -3.076
   68   1HB   TYR   8          2HB       TYR   8  -2.058  -8.010  -1.068
   69   2HB   TYR   8          1HB       TYR   8  -2.176  -8.076  -2.829
   70    HD1  TYR   8           1HD      TYR   8  -1.628 -10.080   0.217
   71    HD2  TYR   8           2HD      TYR   8  -2.316 -10.171  -3.980
   72    HE1  TYR   8           1HE      TYR   8  -2.029 -12.492   0.346
   73    HE2  TYR   8           2HE      TYR   8  -2.734 -12.593  -3.859
   74    HH   TYR   8           HH       TYR   8  -2.939 -14.361  -2.535
   75    H    LEU   9           H        LEU   9   1.352  -6.590  -3.310
   76    HA   LEU   9           HA       LEU   9   1.588  -4.659  -1.224
   77   1HB   LEU   9          2HB       LEU   9   3.435  -5.335  -2.770
   78   2HB   LEU   9          1HB       LEU   9   2.609  -4.474  -4.055
   79    HG   LEU   9           HG       LEU   9   2.878  -2.363  -2.831
   80   1HD1  LEU   9          1HD1      LEU   9   3.873  -4.206  -0.740
   81   2HD1  LEU   9          2HD1      LEU   9   4.685  -2.649  -0.906
   82   3HD1  LEU   9          3HD1      LEU   9   2.950  -2.711  -0.592
   83   1HD2  LEU   9          1HD2      LEU   9   5.073  -2.025  -3.430
   84   2HD2  LEU   9          2HD2      LEU   9   5.589  -3.608  -2.837
   85   3HD2  LEU   9          3HD2      LEU   9   4.686  -3.483  -4.351
   86    H    CYS  10           H        CYS  10   0.924  -2.574  -1.159
   87    HA   CYS  10           HA       CYS  10  -1.321  -1.825  -2.800
   88   1HB   CYS  10          2HB       CYS  10  -1.587  -1.418  -0.460
   89   2HB   CYS  10          1HB       CYS  10  -0.006  -0.670  -0.340
   90    H    GLU  11           H        GLU  11  -1.284   0.345  -3.678
   91    HA   GLU  11           HA       GLU  11   1.334   0.949  -4.871
   92   1HB   GLU  11          2HB       GLU  11  -1.387   1.617  -6.005
   93   2HB   GLU  11          1HB       GLU  11   0.165   1.776  -6.816
   94   1HG   GLU  11          2HG       GLU  11  -0.450  -0.921  -5.846
   95   2HG   GLU  11          1HG       GLU  11  -1.525  -0.316  -7.106
   96    H    PHE  12           H        PHE  12  -0.976   2.116  -2.745
   97    HA   PHE  12           HA       PHE  12  -0.383   4.920  -3.357
   98   1HB   PHE  12          2HB       PHE  12  -2.422   3.809  -1.423
   99   2HB   PHE  12          1HB       PHE  12  -2.288   5.476  -1.975
  100    HD1  PHE  12           1HD      PHE  12  -3.525   2.160  -2.725
  101    HD2  PHE  12           2HD      PHE  12  -2.857   6.051  -4.315
  102    HE1  PHE  12           1HE      PHE  12  -5.049   1.654  -4.590
  103    HE2  PHE  12           2HE      PHE  12  -4.377   5.550  -6.181
  104    HZ   PHE  12           HZ       PHE  12  -5.475   3.350  -6.321
  105    H    CYS  13           H        CYS  13  -0.320   2.639  -0.630
  106    HA   CYS  13           HA       CYS  13   1.512   4.514   0.712
  107   1HB   CYS  13          2HB       CYS  13   0.850   3.614   2.837
  108   2HB   CYS  13          1HB       CYS  13  -0.610   4.040   1.953
  109    H    LEU  14           H        LEU  14   1.145   1.510  -0.758
  110    HA   LEU  14           HA       LEU  14   2.539  -0.192  -1.231
  111   1HB   LEU  14          2HB       LEU  14   4.670   1.646  -0.153
  112   2HB   LEU  14          1HB       LEU  14   4.958   0.183  -1.078
  113    HG   LEU  14           HG       LEU  14   3.182   2.124  -2.388
  114   1HD1  LEU  14          1HD1      LEU  14   4.583   3.866  -2.653
  115   2HD1  LEU  14          2HD1      LEU  14   5.199   3.320  -1.092
  116   3HD1  LEU  14          3HD1      LEU  14   6.029   2.856  -2.579
  117   1HD2  LEU  14          1HD2      LEU  14   4.721   1.574  -4.287
  118   2HD2  LEU  14          2HD2      LEU  14   5.575   0.486  -3.192
  119   3HD2  LEU  14          3HD2      LEU  14   3.881   0.191  -3.585
  120    H    LYS  15           H        LYS  15   1.156  -0.590   0.997
  121    HA   LYS  15           HA       LYS  15   3.065  -1.832   2.864
  122   1HB   LYS  15          2HB       LYS  15   0.175  -1.029   3.157
  123   2HB   LYS  15          1HB       LYS  15   0.906  -2.209   4.236
  124   1HG   LYS  15          2HG       LYS  15   2.504   0.201   3.968
  125   2HG   LYS  15          1HG       LYS  15   0.882   0.516   4.580
  126   1HD   LYS  15          2HD       LYS  15   1.259  -1.282   6.276
  127   2HD   LYS  15          1HD       LYS  15   2.933  -1.375   5.724
  128   1HE   LYS  15          2HE       LYS  15   1.598   1.100   6.817
  129   2HE   LYS  15          1HE       LYS  15   2.662   0.034   7.735
  130   1HZ   LYS  15          1HZ       LYS  15   4.428   0.529   6.114
  131   2HZ   LYS  15          2HZ       LYS  15   3.899   1.911   6.940
  132   3HZ   LYS  15          3HZ       LYS  15   3.400   1.640   5.344
  133    H    TYR  16           H        TYR  16   2.841  -4.075   3.305
  134    HA   TYR  16           HA       TYR  16   1.718  -5.529   1.061
  135   1HB   TYR  16          2HB       TYR  16   3.587  -6.241   3.307
  136   2HB   TYR  16          1HB       TYR  16   2.851  -7.494   2.313
  137    HD1  TYR  16           1HD      TYR  16   5.634  -5.387   2.655
  138    HD2  TYR  16           2HD      TYR  16   3.099  -7.104  -0.300
  139    HE1  TYR  16           1HE      TYR  16   7.397  -5.079   0.970
  140    HE2  TYR  16           2HE      TYR  16   4.864  -6.808  -1.991
  141    HH   TYR  16           HH       TYR  16   6.865  -5.924  -2.439
  142    H    MET  17           H        MET  17  -0.339  -6.092   1.157
  143    HA   MET  17           HA       MET  17  -1.640  -6.547   3.710
  144   1HB   MET  17          2HB       MET  17  -2.639  -6.525   0.879
  145   2HB   MET  17          1HB       MET  17  -3.662  -6.956   2.234
  146   1HG   MET  17          2HG       MET  17  -2.259  -4.330   1.825
  147   2HG   MET  17          1HG       MET  17  -3.978  -4.640   1.615
  148   1HE   MET  17          1HE       MET  17  -1.270  -3.504   3.475
  149   2HE   MET  17          2HE       MET  17  -2.417  -2.362   4.176
  150   3HE   MET  17          3HE       MET  17  -1.621  -3.558   5.202
  151    H    LYS  18           H        LYS  18  -2.244  -8.472   4.516
  152    HA   LYS  18           HA       LYS  18  -0.736 -10.696   3.559
  153   1HB   LYS  18          2HB       LYS  18  -2.750 -10.640   5.809
  154   2HB   LYS  18          1HB       LYS  18  -1.486 -11.837   5.559
  155   1HG   LYS  18          2HG       LYS  18  -0.268  -9.273   5.642
  156   2HG   LYS  18          1HG       LYS  18  -1.360  -9.415   7.020
  157   1HD   LYS  18          2HD       LYS  18   0.541 -10.340   7.905
  158   2HD   LYS  18          1HD       LYS  18  -0.235 -11.782   7.249
  159   1HE   LYS  18          2HE       LYS  18   1.144 -11.640   5.252
  160   2HE   LYS  18          1HE       LYS  18   1.877 -10.149   5.843
  161   1HZ   LYS  18          1HZ       LYS  18   3.430 -11.510   6.650
  162   2HZ   LYS  18          2HZ       LYS  18   2.447 -12.889   6.545
  163   3HZ   LYS  18          3HZ       LYS  18   2.314 -11.854   7.881
  164    H    SER  19           H        SER  19  -3.797  -9.640   2.731
  165    HA   SER  19           HA       SER  19  -4.355 -12.205   1.476
  166   1HB   SER  19          2HB       SER  19  -6.540 -10.792   3.009
  167   2HB   SER  19          1HB       SER  19  -6.587 -12.401   2.286
  168    HG   SER  19           HG       SER  19  -4.591 -12.538   3.899
  169    H    ARG  20           H        ARG  20  -5.578 -12.065  -0.397
  170    HA   ARG  20           HA       ARG  20  -5.395  -9.639  -1.832
  171   1HB   ARG  20          2HB       ARG  20  -5.606 -12.171  -2.600
  172   2HB   ARG  20          1HB       ARG  20  -7.313 -11.755  -2.686
  173   1HG   ARG  20          2HG       ARG  20  -6.485  -9.722  -4.065
  174   2HG   ARG  20          1HG       ARG  20  -5.025 -10.690  -4.276
  175   1HD   ARG  20          2HD       ARG  20  -6.747 -10.932  -6.089
  176   2HD   ARG  20          1HD       ARG  20  -6.230 -12.438  -5.331
  177    HE   ARG  20           HE       ARG  20  -8.328 -12.643  -4.319
  178   1HH1  ARG  20          2HH1      ARG  20  -8.100  -9.740  -6.280
  179   2HH1  ARG  20          1HH1      ARG  20  -9.821  -9.477  -6.306
  180   1HH2  ARG  20          2HH2      ARG  20 -10.578 -12.258  -4.296
  181   2HH2  ARG  20          1HH2      ARG  20 -11.224 -10.876  -5.138
  182    H    THR  21           H        THR  21  -8.047 -11.244  -0.167
  183    HA   THR  21           HA       THR  21 -10.166  -9.598  -0.929
  184    HB   THR  21           HB       THR  21 -10.692 -10.294   1.696
  185    HG1  THR  21           1HG      THR  21  -9.540 -12.040   2.184
  186   1HG2  THR  21          1HG2      THR  21 -12.046 -10.687  -0.390
  187   2HG2  THR  21          2HG2      THR  21 -12.049 -12.027   0.759
  188   3HG2  THR  21          3HG2      THR  21 -11.041 -12.107  -0.687
  189    H    ILE  22           H        ILE  22  -7.739  -9.265   1.598
  190    HA   ILE  22           HA       ILE  22  -8.874  -6.941   2.793
  191    HB   ILE  22           HB       ILE  22  -6.205  -8.307   3.002
  192   1HG1  ILE  22          2HG1      ILE  22  -8.165  -7.672   5.199
  193   1HG2  ILE  22          1HG2      ILE  22  -5.345  -6.250   3.373
  194   2HG2  ILE  22          2HG2      ILE  22  -6.906  -5.559   3.825
  195   3HG2  ILE  22          3HG2      ILE  22  -6.005  -6.536   4.985
  196   1HD1  ILE  22          1HD1      ILE  22  -6.814  -8.858   6.479
  197   2HD1  ILE  22          2HD1      ILE  22  -6.960 -10.235   5.387
  198   3HD1  ILE  22          3HD1      ILE  22  -5.698  -9.033   5.121
  199    H    LEU  23           H        LEU  23  -6.229  -7.530   0.495
  200    HA   LEU  23           HA       LEU  23  -5.391  -4.875   0.173
  201   1HB   LEU  23          2HB       LEU  23  -4.455  -7.203  -0.678
  202   2HB   LEU  23          1HB       LEU  23  -5.328  -6.765  -2.129
  203    HG   LEU  23           HG       LEU  23  -2.721  -6.001  -1.365
  204   1HD1  LEU  23          1HD1      LEU  23  -4.545  -5.336  -3.644
  205   2HD1  LEU  23          2HD1      LEU  23  -2.882  -4.757  -3.566
  206   3HD1  LEU  23          3HD1      LEU  23  -3.213  -6.489  -3.593
  207   1HD2  LEU  23          1HD2      LEU  23  -3.733  -4.132  -0.118
  208   2HD2  LEU  23          2HD2      LEU  23  -2.776  -3.590  -1.497
  209   3HD2  LEU  23          3HD2      LEU  23  -4.538  -3.603  -1.596
  210    H    GLN  24           H        GLN  24  -7.929  -6.721  -1.439
  211    HA   GLN  24           HA       GLN  24  -8.549  -4.896  -3.474
  212   1HB   GLN  24          2HB       GLN  24  -9.981  -7.124  -2.122
  213   2HB   GLN  24          1HB       GLN  24 -10.939  -6.007  -3.083
  214   1HG   GLN  24          2HG       GLN  24  -8.531  -7.495  -4.100
  215   2HG   GLN  24          1HG       GLN  24 -10.200  -8.021  -4.310
  216   1HE2  GLN  24          1HE2      GLN  24  -7.756  -6.638  -5.889
  217   2HE2  GLN  24          2HE2      GLN  24  -8.624  -5.631  -6.995
  218    H    GLN  25           H        GLN  25  -9.783  -5.168  -0.166
  219    HA   GLN  25           HA       GLN  25 -11.545  -2.916  -0.413
  220   1HB   GLN  25          2HB       GLN  25 -10.489  -4.448   1.966
  221   2HB   GLN  25          1HB       GLN  25 -11.590  -3.086   2.120
  222   1HG   GLN  25          2HG       GLN  25 -13.342  -4.237   1.083
  223   2HG   GLN  25          1HG       GLN  25 -12.259  -5.467   0.426
  224   1HE2  GLN  25          1HE2      GLN  25 -11.426  -7.060   1.829
  225   2HE2  GLN  25          2HE2      GLN  25 -12.193  -7.416   3.340
  226    H    HIS  26           H        HIS  26  -8.313  -3.512   0.817
  227    HA   HIS  26           HA       HIS  26  -7.826  -1.085   2.064
  228   1HB   HIS  26          2HB       HIS  26  -6.332  -2.972   2.371
  229   2HB   HIS  26          1HB       HIS  26  -5.893  -2.952   0.664
  230    HD1  HIS  26           1HD      HIS  26  -4.986  -1.465   3.926
  231    HD2  HIS  26           2HD      HIS  26  -4.353  -0.646  -0.111
  232    HE1  HIS  26           1HE      HIS  26  -3.192   0.339   3.814
  233    H    MET  27           H        MET  27  -6.826  -2.024  -1.243
  234    HA   MET  27           HA       MET  27  -5.675   0.437  -1.869
  235   1HB   MET  27          2HB       MET  27  -6.600  -1.903  -3.441
  236   2HB   MET  27          1HB       MET  27  -6.328  -0.408  -4.325
  237   1HG   MET  27          2HG       MET  27  -4.095  -0.645  -2.716
  238   2HG   MET  27          1HG       MET  27  -4.425  -2.296  -3.235
  239   1HE   MET  27          1HE       MET  27  -2.012  -2.329  -5.633
  240   2HE   MET  27          2HE       MET  27  -3.186  -3.137  -4.591
  241   3HE   MET  27          3HE       MET  27  -3.536  -2.912  -6.304
  242    H    LYS  28           H        LYS  28  -8.980  -0.534  -1.881
  243    HA   LYS  28           HA       LYS  28  -9.946   1.556  -3.575
  244   1HB   LYS  28          2HB       LYS  28 -11.091  -0.600  -1.941
  245   2HB   LYS  28          1HB       LYS  28 -12.088   0.845  -2.035
  246   1HG   LYS  28          2HG       LYS  28 -12.685  -0.758  -3.767
  247   2HG   LYS  28          1HG       LYS  28 -12.057   0.736  -4.465
  248   1HD   LYS  28          2HD       LYS  28  -9.870  -1.035  -4.038
  249   2HD   LYS  28          1HD       LYS  28 -11.150  -1.927  -4.866
  250   1HE   LYS  28          2HE       LYS  28 -11.270   0.148  -6.405
  251   2HE   LYS  28          1HE       LYS  28  -9.679   0.530  -5.746
  252   1HZ   LYS  28          1HZ       LYS  28 -10.418  -1.997  -7.128
  253   2HZ   LYS  28          2HZ       LYS  28  -8.885  -1.621  -6.507
  254   3HZ   LYS  28          3HZ       LYS  28  -9.517  -0.728  -7.803
  255    H    LYS  29           H        LYS  29  -9.179   1.269  -0.189
  256    HA   LYS  29           HA       LYS  29 -10.483   3.796   0.414
  257   1HB   LYS  29          2HB       LYS  29 -10.676   2.985   2.473
  258   2HB   LYS  29          1HB       LYS  29  -9.937   1.496   1.908
  259   1HG   LYS  29          2HG       LYS  29  -7.852   3.336   2.428
  260   2HG   LYS  29          1HG       LYS  29  -8.960   3.365   3.801
  261   1HD   LYS  29          2HD       LYS  29  -8.737   0.682   3.196
  262   2HD   LYS  29          1HD       LYS  29  -7.106   1.300   2.949
  263   1HE   LYS  29          2HE       LYS  29  -8.081   0.506   5.339
  264   2HE   LYS  29          1HE       LYS  29  -6.777   1.675   5.137
  265   1HZ   LYS  29          1HZ       LYS  29  -8.573   3.426   5.159
  266   2HZ   LYS  29          2HZ       LYS  29  -8.306   2.627   6.627
  267   3HZ   LYS  29          3HZ       LYS  29  -9.645   2.214   5.674
  268    H    CYS  30           H        CYS  30  -7.296   2.460  -0.044
  269    HA   CYS  30           HA       CYS  30  -5.842   4.707   0.905
  270   1HB   CYS  30          2HB       CYS  30  -5.221   2.151   0.095
  271   2HB   CYS  30          1HB       CYS  30  -4.551   3.134  -1.195
  272    H    GLY  31           H        GLY  31  -7.486   3.996  -2.041
  273   1HA   GLY  31          1HA       GLY  31  -6.137   5.832  -3.745
  274   2HA   GLY  31          2HA       GLY  31  -7.762   5.192  -3.988
  275    H    TRP  32           H        TRP  32  -8.378   6.232  -1.174
  276    HA   TRP  32           HA       TRP  32  -9.237   8.865  -2.039
  277   1HB   TRP  32          2HB       TRP  32  -9.768   7.344   0.523
  278   2HB   TRP  32          1HB       TRP  32 -10.505   8.884   0.083
  279    HD1  TRP  32           HD       TRP  32 -11.507   5.501   0.210
  280    HE1  TRP  32           1HE      TRP  32 -13.249   4.886  -1.582
  281    HE3  TRP  32           3HE      TRP  32 -10.905   9.513  -2.900
  282    HZ2  TRP  32           2HZ      TRP  32 -14.238   5.979  -3.983
  283    HZ3  TRP  32           3HZ      TRP  32 -12.296   9.654  -4.927
  284    HH2  TRP  32           HH       TRP  32 -13.933   7.916  -5.456
  285    H    PHE  33           H        PHE  33  -6.657   7.476  -0.383
  286    HA   PHE  33           HA       PHE  33  -4.894   8.248   0.813
  287   1HB   PHE  33          2HB       PHE  33  -5.653  10.452  -1.019
  288   2HB   PHE  33          1HB       PHE  33  -4.526  10.860   0.277
  289    HD1  PHE  33           1HD      PHE  33  -5.023   8.926  -2.781
  290    HD2  PHE  33           2HD      PHE  33  -2.307   9.908   0.342
  291    HE1  PHE  33           1HE      PHE  33  -3.173   7.971  -4.097
  292    HE2  PHE  33           2HE      PHE  33  -0.453   8.958  -0.965
  293    HZ   PHE  33           HZ       PHE  33  -0.884   7.985  -3.186