*HEADER    TRANSCRIPTION                           17-DEC-15   5FRH
*TITLE     SOLUTION STRUCTURE OF OXIDISED RSRA
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ANTI-SIGMA FACTOR RSRA;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: REGULATOR OF SIGR, SIGMA-R ANTI-SIGMA FACTOR RSRA;
*COMPND   5 ENGINEERED: YES;
*COMPND   6 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;
*SOURCE   3 ORGANISM_TAXID: 1902;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   7 EXPRESSION_SYSTEM_VARIANT: PLYSS
*KEYWDS    TRANSCRIPTION, ANTI-SIGMA FACTOR, STREPTOMYCES COELICOLOR, REDOX
*KEYWDS   2 SENSING
*EXPDTA    SOLUTION NMR
*AUTHOR    K.ZDANOWSKI,L.PECQUEUR,J.WERNER,J.R.POTTS,C.KLEANTHOUS
*REVDAT   1   19-DEC-15 5FRH    0




set echo on message on end 
ASSI {    1}
   (( resid 74   and name  HN  ))
   (( resid 74   and name  HB2 ))

      5.000     3.200     0.000 peak     1 weight  1.00000E+00 volume  1.26974E+08 ppm1      7.616 ppm2      1.750
 ASSI {    4}
   (( resid 74   and name  HN  ))
   (  resid 74   and name  HD# )

      4.000     2.200     0.000 peak     4 weight  1.00000E+00 volume  2.39856E+08 ppm1      7.617 ppm2      0.948
 ASSI {    7}
   (( resid 6    and name  HA  ))
   (  resid 6    and name  HB# )

      2.800     1.000     0.000 peak     7 weight  1.00000E+00 volume  2.04888E+09 ppm1      4.345 ppm2      1.401
 ASSI {    9}
   (( resid 104  and name  HA  ))
   (  resid 104  and name  HB# )

      2.800     1.000     0.000 peak     9 weight  1.00000E+00 volume  3.09753E+08 ppm1      4.583 ppm2      1.343
 ASSI {   10}
   (( resid 99   and name  HA  ))
   (  resid 99   and name  HB# )

      4.000     2.200     0.000 peak    10 weight  1.00000E+00 volume  1.19118E+09 ppm1      4.520 ppm2      1.340
 ASSI {   11}
   (( resid 101  and name  HA  ))
   (( resid 101  and name  HB1 ))

      2.800     1.000     0.000 peak    11 weight  1.00000E+00 volume  8.40064E+08 ppm1      4.428 ppm2      3.862
 ASSI {   14}
   (( resid 91   and name  HA  ))
   (  resid 91   and name  HG1#)

      4.000     2.200     0.000 peak    14 weight  1.00000E+00 volume  7.77650E+08 ppm1      4.506 ppm2      1.021
 ASSI {   15}
   (( resid 91   and name  HA  ))
   (  resid 91   and name  HG2#)

      4.000     2.200     0.000 peak    15 weight  1.00000E+00 volume  1.10163E+09 ppm1      4.505 ppm2      0.979
 ASSI {   17}
   (( resid 78   and name  HA  ))
   (  resid 78   and name  HG2#)

      4.000     2.200     0.000 peak    17 weight  1.00000E+00 volume  1.49610E+09 ppm1      3.470 ppm2      0.944
 ASSI {   19}
   (( resid 57   and name  HA  ))
   (  resid 57   and name  HG2#)

      4.000     2.200     0.000 peak    19 weight  1.00000E+00 volume  9.21870E+08 ppm1      3.505 ppm2      0.836
 ASSI {   21}
   (( resid 78   and name  HA  ))
   (  resid 78   and name  HG1#)

      4.000     2.200     0.000 peak    21 weight  1.00000E+00 volume  1.20187E+09 ppm1      3.469 ppm2      0.774
 ASSI {   24}
   (( resid 57   and name  HA  ))
   (  resid 57   and name  HG1#)

      4.000     2.200     0.000 peak    24 weight  1.00000E+00 volume  1.00463E+09 ppm1      3.505 ppm2      1.074
 ASSI {   25}
   (( resid 92   and name  HD1 ))
   (  resid 91   and name  HG1#)

      4.000     2.200     0.000 peak    25 weight  1.00000E+00 volume  4.69737E+08 ppm1      3.468 ppm2      1.021
 ASSI {   26}
   (( resid 57   and name  HB  ))
   (  resid 57   and name  HG1#)

      4.000     2.200     0.000 peak    26 weight  1.00000E+00 volume  1.18964E+09 ppm1      2.118 ppm2      1.074
 ASSI {   27}
   (( resid 57   and name  HB  ))
   (  resid 57   and name  HG2#)

      2.800     1.000     0.000 peak    27 weight  1.00000E+00 volume  2.21468E+09 ppm1      2.119 ppm2      0.830
 ASSI {   30}
   (  resid 24   and name  HD# )
   (( resid 24   and name  HB1 ))

      4.000     2.200     0.000 peak    30 weight  1.00000E+00 volume  6.55672E+08 ppm1      6.965 ppm2      3.136
 ASSI {   31}
   (( resid 51   and name  HA  ))
   (( resid 51   and name  HB1 ))

      4.000     2.200     0.000 peak    31 weight  1.00000E+00 volume  4.07159E+08 ppm1      4.761 ppm2      3.469
 ASSI {   33}
   (( resid 51   and name  HA  ))
   (( resid 51   and name  HB2 ))

      4.000     2.200     0.000 peak    33 weight  1.00000E+00 volume  1.92138E+08 ppm1      4.759 ppm2      2.399
 ASSI {   34}
   (( resid 51   and name  HB1 ))
   (( resid 51   and name  HB2 ))

      4.000     2.200     0.000 peak    34 weight  1.00000E+00 volume  6.46437E+08 ppm1      3.465 ppm2      2.399
 ASSI {   39}
   (  resid 56   and name  HB# )
   (  resid 74   and name  HD# )

      4.000     2.200     0.000 peak    39 weight  1.00000E+00 volume  2.98988E+09 ppm1      1.322 ppm2      0.946
 ASSI {   41}
   (( resid 62   and name  HN  ))
   (  resid 61   and name  HG2#)

      5.000     3.200     0.000 peak    41 weight  1.00000E+00 volume  2.74488E+08 ppm1      7.699 ppm2      0.825
 ASSI {   42}
   (( resid 62   and name  HN  ))
   (  resid 61   and name  HG1#)

      4.000     2.200     0.000 peak    42 weight  1.00000E+00 volume  2.86134E+08 ppm1      7.699 ppm2      0.801
 ASSI {   43}
   (( resid 104  and name  HN  ))
   (  resid 104  and name  HB# )

      5.000     3.200     0.000 peak    43 weight  1.00000E+00 volume  3.86271E+08 ppm1      8.221 ppm2      1.340
 ASSI {   44}
   (( resid 104  and name  HN  ))
   (( resid 103  and name  HA  ))

      4.000     2.200     0.000 peak    44 weight  1.00000E+00 volume  1.89222E+08 ppm1      8.229 ppm2      4.469
 ASSI {   45}
   (( resid 22   and name  HN  ))
   (( resid 19   and name  HA  ))

      5.000     3.200     0.000 peak    45 weight  1.00000E+00 volume  1.45395E+08 ppm1      8.496 ppm2      4.469
 ASSI {   47}
   (( resid 56   and name  HN  ))
   (  resid 56   and name  HB# )

      4.000     2.200     0.000 peak    47 weight  1.00000E+00 volume  1.49363E+08 ppm1      8.405 ppm2      1.327
 ASSI {   48}
   (( resid 88   and name  HN  ))
   (( resid 88   and name  HA2 ))

      2.800     1.000     0.000 peak    48 weight  1.00000E+00 volume  3.82733E+08 ppm1      7.861 ppm2      4.090
 ASSI {   49}
   (( resid 88   and name  HN  ))
   (( resid 88   and name  HA1 ))

      2.800     1.000     0.000 peak    49 weight  1.00000E+00 volume  5.04283E+08 ppm1      7.862 ppm2      3.907
 ASSI {   50}
   (( resid 85   and name  HN  ))
   (( resid 85   and name  HA  ))

      4.000     2.200     0.000 peak    50 weight  1.00000E+00 volume  6.22471E+08 ppm1      8.048 ppm2      3.635
 ASSI {   51}
   (( resid 85   and name  HN  ))
   (( resid 85   and name  HB  ))

      2.800     1.000     0.000 peak    51 weight  1.00000E+00 volume  4.40352E+08 ppm1      8.046 ppm2      1.619
 ASSI {   52}
   (( resid 85   and name  HN  ))
   (  resid 85   and name  HG2#)

      5.000     3.200     0.000 peak    52 weight  1.00000E+00 volume  2.39787E+08 ppm1      8.047 ppm2      0.486
 ASSI {   53}
   (( resid 85   and name  HN  ))
   (  resid 85   and name  HD1#)

      5.000     3.200     0.000 peak    53 weight  1.00000E+00 volume  2.26962E+08 ppm1      8.047 ppm2      0.428
 ASSI {   54}
   (( resid 85   and name  HN  ))
   (  resid 84   and name  HD1#)

      5.000     3.200     0.000 peak    54 weight  1.00000E+00 volume  2.08482E+08 ppm1      8.046 ppm2      0.979
 ASSI {   55}
   (( resid 76   and name  HN  ))
   (  resid 78   and name  HG2#)

      5.000     3.200     0.000 peak    55 weight  1.00000E+00 volume  1.95341E+08 ppm1      8.031 ppm2      0.949
 ASSI {   58}
   (( resid 80   and name  HN  ))
   (( resid 80   and name  HA2 ))

      2.800     1.000     0.000 peak    58 weight  1.00000E+00 volume  6.35976E+08 ppm1      8.321 ppm2      3.995
 ASSI {   59}
   (( resid 80   and name  HN  ))
   (( resid 80   and name  HA1 ))

      2.800     1.000     0.000 peak    59 weight  1.00000E+00 volume  7.96749E+08 ppm1      8.322 ppm2      3.903
 ASSI {   60}
   (( resid 78   and name  HN  ))
   (  resid 78   and name  HG1#)

      4.000     2.200     0.000 peak    60 weight  1.00000E+00 volume  3.53860E+08 ppm1      8.529 ppm2      0.774
 ASSI {   61}
   (( resid 78   and name  HN  ))
   (  resid 78   and name  HG2#)

      4.000     2.200     0.000 peak    61 weight  1.00000E+00 volume  9.38393E+08 ppm1      8.529 ppm2      0.946
 ASSI {   63}
   (( resid 74   and name  HN  ))
   (( resid 74   and name  HB1 ))

      4.000     2.200     0.000 peak    63 weight  1.00000E+00 volume  2.15470E+08 ppm1      7.617 ppm2      1.613
 ASSI {   66}
   (( resid 64   and name  HN  ))
   (  resid 64   and name  HB# )

      4.000     2.200     0.000 peak    66 weight  1.00000E+00 volume  5.10527E+08 ppm1      8.290 ppm2      1.402
 ASSI {   68}
   (( resid 62   and name  HN  ))
   (( resid 62   and name  HD1 ))

      4.000     2.200     0.000 peak    68 weight  1.00000E+00 volume  1.59592E+08 ppm1      7.700 ppm2      1.466
 ASSI {   69}
   (( resid 62   and name  HN  ))
   (  resid 62   and name  HG# )

      4.000     2.200     0.000 peak    69 weight  1.00000E+00 volume  1.54633E+08 ppm1      7.699 ppm2      1.398
 ASSI {   71}
   (( resid 60   and name  HN  ))
   (  resid 60   and name  HD1#)

      5.000     3.200     0.000 peak    71 weight  1.00000E+00 volume  3.50596E+08 ppm1      7.745 ppm2      0.828
 ASSI {   72}
   (( resid 60   and name  HN  ))
   (  resid 60   and name  HD1#)

      4.000     2.200     0.000 peak    72 weight  1.00000E+00 volume  3.36473E+08 ppm1      7.745 ppm2      0.801
 ASSI {   73}
   (( resid 47   and name  HN  ))
   (( resid 47   and name  HA  ))

      4.000     2.200     0.000 peak    73 weight  1.00000E+00 volume  4.22435E+08 ppm1      8.145 ppm2      4.471
 ASSI {   74}
   (( resid 47   and name  HN  ))
   (( resid 47   and name  HB2 ))

      4.000     2.200     0.000 peak    74 weight  1.00000E+00 volume  3.22160E+08 ppm1      8.147 ppm2      2.750
 ASSI {   75}
   (( resid 47   and name  HN  ))
   (( resid 47   and name  HB1 ))

      4.000     2.200     0.000 peak    75 weight  1.00000E+00 volume  2.88780E+08 ppm1      8.144 ppm2      3.166
 ASSI {   77}
   (( resid 36   and name  HN  ))
   (  resid 36   and name  HB# )

      2.800     1.000     0.000 peak    77 weight  1.00000E+00 volume  1.45934E+08 ppm1      7.808 ppm2      1.737
 ASSI {   78}
   (( resid 36   and name  HN  ))
   (( resid 36   and name  HG2 ))

      4.000     2.200     0.000 peak    78 weight  1.00000E+00 volume  1.36644E+08 ppm1      7.808 ppm2      1.377
 ASSI {   79}
   (( resid 35   and name  HN  ))
   (  resid 35   and name  HG1#)

      4.000     2.200     0.000 peak    79 weight  1.00000E+00 volume  6.78639E+08 ppm1      7.902 ppm2      1.008
 ASSI {   80}
   (( resid 35   and name  HN  ))
   (  resid 35   and name  HG2#)

      4.000     2.200     0.000 peak    80 weight  1.00000E+00 volume  3.94278E+08 ppm1      7.902 ppm2      0.906
 ASSI {   81}
   (( resid 34   and name  HN  ))
   (  resid 34   and name  HB# )

      4.000     2.200     0.000 peak    81 weight  1.00000E+00 volume  5.03637E+08 ppm1      8.151 ppm2      1.575
 ASSI {   82}
   (( resid 34   and name  HN  ))
   (( resid 34   and name  HA  ))

      4.000     2.200     0.000 peak    82 weight  1.00000E+00 volume  4.02783E+08 ppm1      8.151 ppm2      4.167
 ASSI {   83}
   (( resid 33   and name  HN  ))
   (( resid 33   and name  HB1 ))

      4.000     2.200     0.000 peak    83 weight  1.00000E+00 volume  2.96589E+08 ppm1      7.994 ppm2      2.828
 ASSI {   84}
   (( resid 33   and name  HN  ))
   (( resid 33   and name  HB2 ))

      4.000     2.200     0.000 peak    84 weight  1.00000E+00 volume  3.72865E+08 ppm1      7.992 ppm2      2.756
 ASSI {   85}
   (( resid 27   and name  HN  ))
   (( resid 26   and name  HB1 ))

      4.000     2.200     0.000 peak    85 weight  1.00000E+00 volume  2.04379E+08 ppm1      7.523 ppm2      2.550
 ASSI {   86}
   (( resid 27   and name  HN  ))
   (( resid 27   and name  HA  ))

      2.800     1.000     0.000 peak    86 weight  1.00000E+00 volume  5.00874E+08 ppm1      7.522 ppm2      4.236
 ASSI {   88}
   (( resid 27   and name  HN  ))
   (( resid 26   and name  HB2 ))

      4.000     2.200     0.000 peak    88 weight  1.00000E+00 volume  1.41371E+08 ppm1      7.525 ppm2      2.401
 ASSI {   89}
   (( resid 27   and name  HN  ))
   (( resid 27   and name  HB1 ))

      4.000     2.200     0.000 peak    89 weight  1.00000E+00 volume  1.67528E+08 ppm1      7.523 ppm2      1.711
 ASSI {   92}
   (( resid 27   and name  HN  ))
   (  resid 27   and name  HD# )

      4.000     2.200     0.000 peak    92 weight  1.00000E+00 volume  1.64114E+08 ppm1      7.523 ppm2      1.561
 ASSI {   93}
   (( resid 27   and name  HN  ))
   (( resid 27   and name  HG2 ))

      5.000     3.200     0.000 peak    93 weight  1.00000E+00 volume  1.45153E+08 ppm1      7.523 ppm2      1.447
 ASSI {   94}
   (( resid 27   and name  HN  ))
   (  resid 27   and name  HE# )

      5.000     3.200     0.000 peak    94 weight  1.00000E+00 volume  3.96711E+07 ppm1      7.521 ppm2      2.995
 ASSI {   95}
   (( resid 26   and name  HN  ))
   (( resid 26   and name  HB2 ))

      4.000     2.200     0.000 peak    95 weight  1.00000E+00 volume  2.07946E+08 ppm1      8.674 ppm2      2.402
 ASSI {   96}
   (( resid 25   and name  HN  ))
   (( resid 25   and name  HA  ))

      4.000     2.200     0.000 peak    96 weight  1.00000E+00 volume  5.00830E+08 ppm1      8.109 ppm2      3.776
 ASSI {   98}
   (( resid 24   and name  HN  ))
   (( resid 24   and name  HA  ))

      2.800     1.000     0.000 peak    98 weight  1.00000E+00 volume  7.65153E+08 ppm1      8.029 ppm2      4.225
 ASSI {   99}
   (( resid 24   and name  HN  ))
   (( resid 24   and name  HB1 ))

      2.800     1.000     0.000 peak    99 weight  1.00000E+00 volume  5.17580E+08 ppm1      8.035 ppm2      3.136
 ASSI {  100}
   (( resid 24   and name  HN  ))
   (( resid 24   and name  HB2 ))

      2.800     1.000     0.000 peak   100 weight  1.00000E+00 volume  4.31367E+08 ppm1      8.035 ppm2      3.040
 ASSI {  101}
   (( resid 23   and name  HN  ))
   (( resid 23   and name  HA  ))

      2.800     1.000     0.000 peak   101 weight  1.00000E+00 volume  6.39847E+08 ppm1      8.077 ppm2      4.078
 ASSI {  102}
   (( resid 23   and name  HN  ))
   (( resid 23   and name  HG2 ))

      4.000     2.200     0.000 peak   102 weight  1.00000E+00 volume  1.68064E+08 ppm1      8.063 ppm2      2.504
 ASSI {  103}
   (( resid 23   and name  HN  ))
   (( resid 23   and name  HG1 ))

      4.000     2.200     0.000 peak   103 weight  1.00000E+00 volume  1.59875E+08 ppm1      8.065 ppm2      2.412
 ASSI {  105}
   (( resid 23   and name  HN  ))
   (( resid 23   and name  HB2 ))

      4.000     2.200     0.000 peak   105 weight  1.00000E+00 volume  1.29458E+08 ppm1      8.061 ppm2      2.179
 ASSI {  106}
   (( resid 22   and name  HN  ))
   (( resid 22   and name  HA  ))

      4.000     2.200     0.000 peak   106 weight  1.00000E+00 volume  4.46062E+08 ppm1      8.496 ppm2      3.632
 ASSI {  107}
   (( resid 22   and name  HN  ))
   (( resid 22   and name  HB1 ))

      2.800     1.000     0.000 peak   107 weight  1.00000E+00 volume  3.62875E+08 ppm1      8.494 ppm2      3.322
 ASSI {  108}
   (( resid 22   and name  HN  ))
   (( resid 22   and name  HB2 ))

      2.800     1.000     0.000 peak   108 weight  1.00000E+00 volume  4.53442E+08 ppm1      8.494 ppm2      3.009
 ASSI {  109}
   (( resid 20   and name  HN  ))
   (( resid 20   and name  HB2 ))

      4.000     2.200     0.000 peak   109 weight  1.00000E+00 volume  3.83077E+08 ppm1      8.229 ppm2      3.446
 ASSI {  110}
   (( resid 20   and name  HN  ))
   (( resid 20   and name  HB1 ))

      4.000     2.200     0.000 peak   110 weight  1.00000E+00 volume  3.06189E+08 ppm1      8.228 ppm2      3.253
 ASSI {  112}
   (( resid 20   and name  HN  ))
   (( resid 20   and name  HA  ))

      4.000     2.200     0.000 peak   112 weight  1.00000E+00 volume  1.24746E+08 ppm1      8.227 ppm2      4.637
 ASSI {  113}
   (( resid 20   and name  HN  ))
   (( resid 19   and name  HB2 ))

      4.000     2.200     0.000 peak   113 weight  1.00000E+00 volume  2.66304E+08 ppm1      8.229 ppm2      2.678
 ASSI {  114}
   (( resid 20   and name  HN  ))
   (( resid 19   and name  HB1 ))

      4.000     2.200     0.000 peak   114 weight  1.00000E+00 volume  3.75291E+08 ppm1      8.229 ppm2      2.839
 ASSI {  115}
   (( resid 18   and name  HN  ))
   (( resid 18   and name  HA  ))

      4.000     2.200     0.000 peak   115 weight  1.00000E+00 volume  6.07681E+08 ppm1      8.156 ppm2      4.047
 ASSI {  116}
   (( resid 18   and name  HN  ))
   (( resid 18   and name  HG  ))

      4.000     2.200     0.000 peak   116 weight  1.00000E+00 volume  3.57018E+08 ppm1      8.152 ppm2      1.296
 ASSI {  117}
   (( resid 18   and name  HN  ))
   (  resid 17   and name  HG2#)

      4.000     2.200     0.000 peak   117 weight  1.00000E+00 volume  3.92051E+08 ppm1      8.156 ppm2      0.985
 ASSI {  118}
   (( resid 18   and name  HN  ))
   (  resid 18   and name  HD# )

      4.000     2.200     0.000 peak   118 weight  1.00000E+00 volume  3.86077E+08 ppm1      8.156 ppm2      0.625
 ASSI {  119}
   (( resid 17   and name  HN  ))
   (( resid 17   and name  HG12))

      2.800     1.000     0.000 peak   119 weight  1.00000E+00 volume  1.91135E+08 ppm1      7.777 ppm2      1.635
 ASSI {  120}
   (( resid 17   and name  HN  ))
   (( resid 17   and name  HG11))

      4.000     2.200     0.000 peak   120 weight  1.00000E+00 volume  1.70243E+08 ppm1      7.780 ppm2      1.267
 ASSI {  121}
   (( resid 17   and name  HN  ))
   (  resid 17   and name  HG2#)

      4.000     2.200     0.000 peak   121 weight  1.00000E+00 volume  3.57086E+08 ppm1      7.778 ppm2      0.985
 ASSI {  122}
   (( resid 17   and name  HN  ))
   (  resid 17   and name  HD1#)

      5.000     3.200     0.000 peak   122 weight  1.00000E+00 volume  1.92300E+08 ppm1      7.778 ppm2      0.867
 ASSI {  123}
   (( resid 17   and name  HN  ))
   (  resid 18   and name  HD# )

      6.000     4.200     0.000 peak   123 weight  1.00000E+00 volume  4.64094E+07 ppm1      7.770 ppm2      0.624
 ASSI {  124}
   (( resid 17   and name  HN  ))
   (( resid 17   and name  HA  ))

      4.000     2.200     0.000 peak   124 weight  1.00000E+00 volume  5.15160E+08 ppm1      7.778 ppm2      3.871
 ASSI {  125}
   (( resid 15   and name  HN  ))
   (  resid 15   and name  HB# )

      2.800     1.000     0.000 peak   125 weight  1.00000E+00 volume  1.17541E+09 ppm1      8.506 ppm2      3.962
 ASSI {  126}
   (( resid 13   and name  HN  ))
   (( resid 13   and name  HB2 ))

      4.000     2.200     0.000 peak   126 weight  1.00000E+00 volume  1.20937E+08 ppm1      8.602 ppm2      2.864
 ASSI {  127}
   (( resid 13   and name  HN  ))
   (( resid 13   and name  HB1 ))

      4.000     2.200     0.000 peak   127 weight  1.00000E+00 volume  1.19287E+08 ppm1      8.600 ppm2      2.774
 ASSI {  129}
   (( resid 32   and name  HN  ))
   (( resid 32   and name  HA  ))

      4.000     2.200     0.000 peak   129 weight  1.00000E+00 volume  4.28771E+08 ppm1      8.351 ppm2      4.317
 ASSI {  130}
   (( resid 12   and name  HN  ))
   (( resid 12   and name  HB  ))

      4.000     2.200     0.000 peak   130 weight  1.00000E+00 volume  1.68322E+08 ppm1      8.351 ppm2      4.141
 ASSI {  131}
   (( resid 12   and name  HN  ))
   (  resid 12   and name  HG2#)

      5.000     3.200     0.000 peak   131 weight  1.00000E+00 volume  9.61854E+07 ppm1      8.351 ppm2      1.204
 ASSI {  132}
   (( resid 10   and name  HN  ))
   (  resid 10   and name  HB# )

      4.000     2.200     0.000 peak   132 weight  1.00000E+00 volume  1.31731E+08 ppm1      8.391 ppm2      3.131
 ASSI {  133}
   (( resid 7    and name  HN  ))
   (  resid 7    and name  HA# )

      4.000     2.200     0.000 peak   133 weight  1.00000E+00 volume  4.75924E+08 ppm1      8.320 ppm2      3.930
 ASSI {  134}
   (( resid 6    and name  HN  ))
   (  resid 6    and name  HB# )

      5.000     3.200     0.000 peak   134 weight  1.00000E+00 volume  8.58701E+07 ppm1      8.419 ppm2      1.395
 ASSI {  135}
   (( resid 99   and name  HA  ))
   (( resid 100  and name  HD1 ))

      2.800     1.000     0.000 peak   135 weight  1.00000E+00 volume  7.78714E+08 ppm1      4.520 ppm2      3.597
 ASSI {  136}
   (( resid 99   and name  HA  ))
   (( resid 100  and name  HD2 ))

      2.800     1.000     0.000 peak   136 weight  1.00000E+00 volume  7.58354E+08 ppm1      4.521 ppm2      3.708
 ASSI {  137}
   (( resid 70   and name  HA  ))
   (( resid 71   and name  HD2 ))

      2.800     1.000     0.000 peak   137 weight  1.00000E+00 volume  1.04284E+09 ppm1      4.352 ppm2      3.610
 ASSI {  138}
   (( resid 70   and name  HN  ))
   (( resid 70   and name  HA  ))

      2.800     1.000     0.000 peak   138 weight  1.00000E+00 volume  3.47754E+08 ppm1      8.216 ppm2      4.353
 ASSI {  139}
   (( resid 104  and name  HN  ))
   (( resid 104  and name  HA  ))

      4.000     2.200     0.000 peak   139 weight  1.00000E+00 volume  3.08203E+08 ppm1      8.216 ppm2      4.597
 ASSI {  140}
   (( resid 70   and name  HA  ))
   (  resid 70   and name  HG# )

      4.000     2.200     0.000 peak   140 weight  1.00000E+00 volume  1.73635E+09 ppm1      4.352 ppm2      0.950
 ASSI {  141}
   (( resid 86   and name  HN  ))
   (  resid 85   and name  HG2#)

      5.000     3.200     0.000 peak   141 weight  1.00000E+00 volume  1.91176E+08 ppm1      8.521 ppm2      0.486
 ASSI {  142}
   (( resid 86   and name  HN  ))
   (  resid 85   and name  HD1#)

      6.000     4.200     0.000 peak   142 weight  1.00000E+00 volume  9.05507E+07 ppm1      8.520 ppm2      0.427
 ASSI {  143}
   (  resid 51   and name  HD# )
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak   143 weight  1.00000E+00 volume  1.73752E+08 ppm1      7.263 ppm2      0.485
 ASSI {  144}
   (  resid 51   and name  HD# )
   (  resid 85   and name  HD1#)

      5.000     3.200     0.000 peak   144 weight  1.00000E+00 volume  3.32714E+08 ppm1      7.263 ppm2      0.427
 ASSI {  145}
   (( resid 86   and name  HN  ))
   (  resid 18   and name  HD# )

      6.000     4.200     0.000 peak   145 weight  1.00000E+00 volume  1.22891E+08 ppm1      8.512 ppm2      0.617
 ASSI {  148}
   (( resid 19   and name  HA  ))
   (( resid 22   and name  HB2 ))

      4.000     2.200     0.000 peak   148 weight  1.00000E+00 volume  3.51027E+08 ppm1      4.466 ppm2      3.007
 ASSI {  149}
   (( resid 39   and name  HA  ))
   (  resid 39   and name  HB# )

      2.800     1.000     0.000 peak   149 weight  1.00000E+00 volume  9.60416E+08 ppm1      4.423 ppm2      2.969
 ASSI {  150}
   (( resid 91   and name  HA  ))
   (( resid 92   and name  HD1 ))

      2.800     1.000     0.000 peak   150 weight  1.00000E+00 volume  8.30334E+08 ppm1      4.507 ppm2      3.470
 ASSI {  151}
   (( resid 92   and name  HD2 ))
   (( resid 92   and name  HD1 ))

      2.500     0.700     0.000 peak   151 weight  1.00000E+00 volume  2.08973E+09 ppm1      3.894 ppm2      3.470
 ASSI {  153}
   (( resid 102  and name  HA  ))
   (( resid 102  and name  HB1 ))

      2.800     1.000     0.000 peak   153 weight  1.00000E+00 volume  1.03773E+09 ppm1      4.487 ppm2      4.106
 ASSI {  154}
   (( resid 70   and name  HN  ))
   (( resid 71   and name  HD2 ))

      4.000     2.200     0.000 peak   154 weight  1.00000E+00 volume  1.13161E+08 ppm1      8.217 ppm2      3.611
 ASSI {  155}
   (( resid 70   and name  HN  ))
   (  resid 70   and name  HG# )

      2.800     1.000     0.000 peak   155 weight  1.00000E+00 volume  8.97333E+08 ppm1      8.214 ppm2      0.950
 ASSI {  156}
   (( resid 70   and name  HA  ))
   (( resid 71   and name  HD1 ))

      2.500     0.700     0.000 peak   156 weight  1.00000E+00 volume  2.04325E+09 ppm1      4.351 ppm2      3.968
 ASSI {  158}
   (( resid 71   and name  HD1 ))
   (( resid 71   and name  HD2 ))

      2.500     0.700     0.000 peak   158 weight  1.00000E+00 volume  2.44391E+09 ppm1      3.965 ppm2      3.610
 ASSI {  159}
   (( resid 72   and name  HN  ))
   (( resid 71   and name  HA  ))

      4.000     2.200     0.000 peak   159 weight  1.00000E+00 volume  1.40797E+08 ppm1      8.787 ppm2      4.434
 ASSI {  160}
   (( resid 81   and name  HA  ))
   (( resid 81   and name  HD1 ))

      4.000     2.200     0.000 peak   160 weight  1.00000E+00 volume  3.26915E+08 ppm1      4.242 ppm2      3.387
 ASSI {  161}
   (( resid 81   and name  HN  ))
   (( resid 81   and name  HA  ))

      2.800     1.000     0.000 peak   161 weight  1.00000E+00 volume  4.31256E+08 ppm1      7.709 ppm2      4.243
 ASSI {  162}
   (( resid 81   and name  HN  ))
   (( resid 81   and name  HD1 ))

      5.000     3.200     0.000 peak   162 weight  1.00000E+00 volume  5.10470E+07 ppm1      7.711 ppm2      3.390
 ASSI {  163}
   (( resid 81   and name  HN  ))
   (( resid 81   and name  HD2 ))

      5.000     3.200     0.000 peak   163 weight  1.00000E+00 volume  6.09604E+07 ppm1      7.712 ppm2      3.226
 ASSI {  165}
   (( resid 81   and name  HA  ))
   (( resid 81   and name  HD2 ))

      4.000     2.200     0.000 peak   165 weight  1.00000E+00 volume  3.37605E+08 ppm1      4.237 ppm2      3.231
 ASSI {  166}
   (( resid 81   and name  HD1 ))
   (( resid 81   and name  HD2 ))

      2.800     1.000     0.000 peak   166 weight  1.00000E+00 volume  1.08573E+09 ppm1      3.382 ppm2      3.229
 ASSI {  168}
   (( resid 85   and name  HB  ))
   (  resid 85   and name  HG2#)

      4.000     2.200     0.000 peak   168 weight  1.00000E+00 volume  9.62923E+08 ppm1      1.615 ppm2      0.486
 ASSI {  170}
   (( resid 85   and name  HB  ))
   (  resid 85   and name  HD1#)

      4.000     2.200     0.000 peak   170 weight  1.00000E+00 volume  6.89886E+08 ppm1      1.618 ppm2      0.428
 ASSI {  171}
   (( resid 86   and name  HB1 ))
   (  resid 85   and name  HG2#)

      4.000     2.200     0.000 peak   171 weight  1.00000E+00 volume  5.64745E+08 ppm1      1.658 ppm2      0.486
 ASSI {  172}
   (( resid 51   and name  HB2 ))
   (  resid 53   and name  HD1#)

      5.000     3.200     0.000 peak   172 weight  1.00000E+00 volume  3.71161E+08 ppm1      2.395 ppm2      0.771
 ASSI {  173}
   (( resid 51   and name  HB2 ))
   (  resid 85   and name  HD1#)

      5.000     3.200     0.000 peak   173 weight  1.00000E+00 volume  1.82798E+08 ppm1      2.393 ppm2      0.427
 ASSI {  176}
   (( resid 81   and name  HG2 ))
   (  resid 85   and name  HD1#)

      5.000     3.200     0.000 peak   176 weight  1.00000E+00 volume  2.55564E+08 ppm1      1.790 ppm2      0.427
 ASSI {  178}
   (  resid 17   and name  HG2#)
   (  resid 85   and name  HD1#)

      6.000     4.200     0.000 peak   178 weight  1.00000E+00 volume  1.96082E+08 ppm1      1.018 ppm2      0.426
 ASSI {  179}
   (  resid 84   and name  HD1#)
   (  resid 85   and name  HD1#)

      6.000     4.200     0.000 peak   179 weight  1.00000E+00 volume  1.73534E+08 ppm1      0.975 ppm2      0.427
 ASSI {  180}
   (  resid 84   and name  HD2#)
   (  resid 85   and name  HD1#)

      5.000     3.200     0.000 peak   180 weight  1.00000E+00 volume  4.61357E+08 ppm1      0.849 ppm2      0.428
 ASSI {  181}
   (( resid 85   and name  HG12))
   (  resid 85   and name  HD1#)

      4.000     2.200     0.000 peak   181 weight  1.00000E+00 volume  7.67412E+08 ppm1      0.762 ppm2      0.427
 ASSI {  183}
   (  resid 18   and name  HD# )
   (  resid 85   and name  HD1#)

      5.000     3.200     0.000 peak   183 weight  1.00000E+00 volume  5.10783E+08 ppm1      0.624 ppm2      0.428
 ASSI {  185}
   (  resid 18   and name  HD# )
   (  resid 85   and name  HG2#)

      5.000     3.200     0.000 peak   185 weight  1.00000E+00 volume  9.74542E+08 ppm1      0.625 ppm2      0.485
 ASSI {  186}
   (  resid 17   and name  HG2#)
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak   186 weight  1.00000E+00 volume  9.67466E+07 ppm1      1.023 ppm2      0.486
 ASSI {  187}
   (  resid 84   and name  HD1#)
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak   187 weight  1.00000E+00 volume  7.94040E+07 ppm1      0.975 ppm2      0.485
 ASSI {  188}
   (  resid 84   and name  HD2#)
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak   188 weight  1.00000E+00 volume  1.11375E+08 ppm1      0.850 ppm2      0.486
 ASSI {  192}
   (( resid 81   and name  HD2 ))
   (  resid 85   and name  HD1#)

      6.000     4.200     0.000 peak   192 weight  1.00000E+00 volume  7.72206E+07 ppm1      3.230 ppm2      0.428
 ASSI {  193}
   (( resid 81   and name  HD1 ))
   (  resid 85   and name  HD1#)

      6.000     4.200     0.000 peak   193 weight  1.00000E+00 volume  7.57096E+07 ppm1      3.386 ppm2      0.426
 ASSI {  196}
   (( resid 85   and name  HA  ))
   (  resid 85   and name  HG2#)

      4.000     2.200     0.000 peak   196 weight  1.00000E+00 volume  7.62477E+08 ppm1      3.632 ppm2      0.486
 ASSI {  197}
   (( resid 85   and name  HA  ))
   (  resid 85   and name  HD1#)

      5.000     3.200     0.000 peak   197 weight  1.00000E+00 volume  2.26074E+08 ppm1      3.632 ppm2      0.427
 ASSI {  200}
   (( resid 86   and name  HA  ))
   (  resid 85   and name  HG2#)

      5.000     3.200     0.000 peak   200 weight  1.00000E+00 volume  2.44924E+08 ppm1      4.033 ppm2      0.486
 ASSI {  203}
   (( resid 86   and name  HA  ))
   (( resid 86   and name  HD2 ))

      4.000     2.200     0.000 peak   203 weight  1.00000E+00 volume  2.28088E+08 ppm1      4.034 ppm2      2.753
 ASSI {  204}
   (( resid 55   and name  HA  ))
   (( resid 55   and name  HG1 ))

      4.000     2.200     0.000 peak   204 weight  1.00000E+00 volume  3.72912E+08 ppm1      3.985 ppm2      2.480
 ASSI {  205}
   (( resid 55   and name  HA  ))
   (( resid 55   and name  HG2 ))

      4.000     2.200     0.000 peak   205 weight  1.00000E+00 volume  3.61340E+08 ppm1      3.985 ppm2      2.432
 ASSI {  210}
   (( resid 92   and name  HA  ))
   (( resid 92   and name  HB2 ))

      2.800     1.000     0.000 peak   210 weight  1.00000E+00 volume  1.04040E+09 ppm1      4.399 ppm2      2.285
 ASSI {  211}
   (( resid 51   and name  HA  ))
   (  resid 85   and name  HD1#)

      6.000     4.200     0.000 peak   211 weight  1.00000E+00 volume  9.73683E+07 ppm1      4.763 ppm2      0.430
 ASSI {  213}
   (( resid 92   and name  HA  ))
   (( resid 92   and name  HG2 ))

      4.000     2.200     0.000 peak   213 weight  1.00000E+00 volume  2.90105E+08 ppm1      4.397 ppm2      1.691
 ASSI {  216}
   (  resid 17   and name  HG2#)
   (  resid 18   and name  HD# )

      5.000     3.200     0.000 peak   216 weight  1.00000E+00 volume  4.69599E+08 ppm1      0.982 ppm2      0.614
 ASSI {  217}
   (  resid 51   and name  HE# )
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak   217 weight  1.00000E+00 volume  2.76201E+08 ppm1      6.768 ppm2      0.486
 ASSI {  218}
   (  resid 51   and name  HE# )
   (  resid 85   and name  HD1#)

      6.000     4.200     0.000 peak   218 weight  1.00000E+00 volume  1.55592E+08 ppm1      6.768 ppm2      0.427
 ASSI {  219}
   (( resid 86   and name  HN  ))
   (( resid 86   and name  HB1 ))

      2.800     1.000     0.000 peak   219 weight  1.00000E+00 volume  1.47336E+08 ppm1      8.521 ppm2      1.831
 ASSI {  220}
   (( resid 18   and name  HG  ))
   (  resid 18   and name  HD# )

      4.000     2.200     0.000 peak   220 weight  1.00000E+00 volume  8.20009E+08 ppm1      1.291 ppm2      0.627
 ASSI {  221}
   (( resid 56   and name  HA  ))
   (  resid 56   and name  HB# )

      4.000     2.200     0.000 peak   221 weight  1.00000E+00 volume  1.57862E+09 ppm1      3.996 ppm2      1.323
 ASSI {  222}
   (( resid 18   and name  HA  ))
   (( resid 18   and name  HG  ))

      4.000     2.200     0.000 peak   222 weight  1.00000E+00 volume  4.81985E+08 ppm1      4.042 ppm2      1.295
 ASSI {  223}
   (( resid 18   and name  HA  ))
   (  resid 18   and name  HD# )

      4.000     2.200     0.000 peak   223 weight  1.00000E+00 volume  1.22078E+09 ppm1      4.044 ppm2      0.627
 ASSI {  224}
   (( resid 14   and name  HA  ))
   (  resid 18   and name  HD# )

      6.000     4.200     0.000 peak   224 weight  1.00000E+00 volume  7.86423E+07 ppm1      4.897 ppm2      0.626
 ASSI {  226}
   (( resid 47   and name  HB2 ))
   (  resid 18   and name  HD# )

      5.000     3.200     0.000 peak   226 weight  1.00000E+00 volume  2.13699E+08 ppm1      2.755 ppm2      0.627
 ASSI {  227}
   (( resid 37   and name  HA  ))
   (( resid 37   and name  HB2 ))

      4.000     2.200     0.000 peak   227 weight  1.00000E+00 volume  5.73371E+08 ppm1      4.166 ppm2      2.759
 ASSI {  229}
   (( resid 12   and name  HA  ))
   (( resid 12   and name  HB  ))

      2.800     1.000     0.000 peak   229 weight  1.00000E+00 volume  1.59576E+09 ppm1      4.288 ppm2      4.139
 ASSI {  230}
   (( resid 41   and name  HA  ))
   (( resid 41   and name  HB2 ))

      4.000     2.200     0.000 peak   230 weight  1.00000E+00 volume  4.26184E+08 ppm1      4.290 ppm2      3.093
 ASSI {  231}
   (( resid 41   and name  HA  ))
   (( resid 41   and name  HB1 ))

      4.000     2.200     0.000 peak   231 weight  1.00000E+00 volume  4.28899E+08 ppm1      4.290 ppm2      2.836
 ASSI {  232}
   (( resid 12   and name  HA  ))
   (  resid 12   and name  HG2#)

      4.000     2.200     0.000 peak   232 weight  1.00000E+00 volume  7.88209E+08 ppm1      4.288 ppm2      1.203
 ASSI {  233}
   (( resid 45   and name  HA  ))
   (  resid 48   and name  HD1#)

      5.000     3.200     0.000 peak   233 weight  1.00000E+00 volume  3.25049E+08 ppm1      4.291 ppm2      0.871
 ASSI {  234}
   (( resid 101  and name  HA  ))
   (( resid 101  and name  HB2 ))

      4.000     2.200     0.000 peak   234 weight  1.00000E+00 volume  5.58211E+08 ppm1      4.431 ppm2      3.903
 ASSI {  236}
   (( resid 56   and name  HN  ))
   (  resid 53   and name  HD2#)

      6.000     4.200     0.000 peak   236 weight  1.00000E+00 volume  1.26259E+08 ppm1      8.405 ppm2      0.878
 ASSI {  237}
   (( resid 97   and name  HN  ))
   (( resid 97   and name  HA  ))

      4.000     2.200     0.000 peak   237 weight  1.00000E+00 volume  1.10129E+08 ppm1      8.411 ppm2      4.243
 ASSI {  239}
   (( resid 93   and name  HN  ))
   (( resid 93   and name  HA  ))

      2.800     1.000     0.000 peak   239 weight  1.00000E+00 volume  4.02840E+08 ppm1      8.528 ppm2      4.164
 ASSI {  240}
   (( resid 91   and name  HN  ))
   (  resid 91   and name  HG1#)

      5.000     3.200     0.000 peak   240 weight  1.00000E+00 volume  2.30524E+08 ppm1      8.346 ppm2      1.021
 ASSI {  241}
   (( resid 91   and name  HN  ))
   (  resid 91   and name  HG2#)

      4.000     2.200     0.000 peak   241 weight  1.00000E+00 volume  6.11265E+08 ppm1      8.346 ppm2      0.978
 ASSI {  244}
   (( resid 91   and name  HN  ))
   (( resid 91   and name  HA  ))

      2.800     1.000     0.000 peak   244 weight  1.00000E+00 volume  1.49795E+08 ppm1      8.347 ppm2      4.511
 ASSI {  245}
   (( resid 91   and name  HB  ))
   (  resid 91   and name  HG1#)

      4.000     2.200     0.000 peak   245 weight  1.00000E+00 volume  1.83579E+09 ppm1      2.102 ppm2      1.014
 ASSI {  246}
   (( resid 91   and name  HB  ))
   (  resid 91   and name  HG2#)

      4.000     2.200     0.000 peak   246 weight  1.00000E+00 volume  1.63563E+09 ppm1      2.100 ppm2      0.978
 ASSI {  247}
   (( resid 70   and name  HB  ))
   (  resid 70   and name  HG1#)

      2.800     1.000     0.000 peak   247 weight  1.00000E+00 volume  4.03631E+09 ppm1      2.079 ppm2      0.949
 ASSI {  249}
   (( resid 90   and name  HN  ))
   (( resid 90   and name  HA  ))

      2.800     1.000     0.000 peak   249 weight  1.00000E+00 volume  5.81912E+08 ppm1      8.284 ppm2      4.406
 ASSI {  250}
   (( resid 90   and name  HN  ))
   (( resid 90   and name  HB2 ))

      4.000     2.200     0.000 peak   250 weight  1.00000E+00 volume  2.42802E+08 ppm1      8.281 ppm2      3.828
 ASSI {  251}
   (( resid 90   and name  HN  ))
   (( resid 90   and name  HB1 ))

      4.000     2.200     0.000 peak   251 weight  1.00000E+00 volume  2.52672E+08 ppm1      8.282 ppm2      3.788
 ASSI {  252}
   (( resid 90   and name  HA  ))
   (( resid 90   and name  HB2 ))

      2.800     1.000     0.000 peak   252 weight  1.00000E+00 volume  1.14229E+09 ppm1      4.402 ppm2      3.828
 ASSI {  253}
   (( resid 89   and name  HN  ))
   (( resid 89   and name  HA  ))

      2.800     1.000     0.000 peak   253 weight  1.00000E+00 volume  3.10947E+08 ppm1      7.888 ppm2      4.411
 ASSI {  254}
   (( resid 89   and name  HN  ))
   (( resid 89   and name  HG2 ))

      4.000     2.200     0.000 peak   254 weight  1.00000E+00 volume  1.49064E+08 ppm1      7.889 ppm2      2.372
 ASSI {  255}
   (( resid 89   and name  HN  ))
   (( resid 89   and name  HG1 ))

      4.000     2.200     0.000 peak   255 weight  1.00000E+00 volume  1.03733E+08 ppm1      7.888 ppm2      2.263
 ASSI {  256}
   (( resid 89   and name  HN  ))
   (( resid 89   and name  HB2 ))

      5.000     3.200     0.000 peak   256 weight  1.00000E+00 volume  7.89471E+07 ppm1      7.889 ppm2      2.188
 ASSI {  257}
   (( resid 89   and name  HN  ))
   (( resid 89   and name  HB1 ))

      2.800     1.000     0.000 peak   257 weight  1.00000E+00 volume  1.10743E+08 ppm1      7.888 ppm2      2.117
 ASSI {  258}
   (( resid 88   and name  HA2 ))
   (( resid 88   and name  HA1 ))

      2.500     0.700     0.000 peak   258 weight  1.00000E+00 volume  2.29187E+09 ppm1      4.086 ppm2      3.907
 ASSI {  259}
   (( resid 86   and name  HN  ))
   (( resid 86   and name  HA  ))

      2.800     1.000     0.000 peak   259 weight  1.00000E+00 volume  9.52993E+08 ppm1      8.518 ppm2      4.040
 ASSI {  260}
   (( resid 85   and name  HA  ))
   (( resid 85   and name  HB  ))

      4.000     2.200     0.000 peak   260 weight  1.00000E+00 volume  3.34562E+08 ppm1      3.631 ppm2      1.614
 ASSI {  261}
   (( resid 85   and name  HA  ))
   (( resid 85   and name  HG12))

      4.000     2.200     0.000 peak   261 weight  1.00000E+00 volume  4.58198E+08 ppm1      3.635 ppm2      0.751
 ASSI {  262}
   (( resid 84   and name  HN  ))
   (( resid 84   and name  HA  ))

      2.800     1.000     0.000 peak   262 weight  1.00000E+00 volume  5.52753E+08 ppm1      7.488 ppm2      4.003
 ASSI {  263}
   (( resid 84   and name  HN  ))
   (( resid 83   and name  HB2 ))

      4.000     2.200     0.000 peak   263 weight  1.00000E+00 volume  1.97310E+08 ppm1      7.488 ppm2      2.917
 ASSI {  264}
   (( resid 84   and name  HN  ))
   (( resid 83   and name  HB1 ))

      4.000     2.200     0.000 peak   264 weight  1.00000E+00 volume  1.54219E+08 ppm1      7.487 ppm2      2.668
 ASSI {  265}
   (( resid 84   and name  HN  ))
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak   265 weight  1.00000E+00 volume  3.04131E+07 ppm1      7.489 ppm2      0.488
 ASSI {  266}
   (( resid 84   and name  HN  ))
   (  resid 85   and name  HD1#)

      6.000     4.200     0.000 peak   266 weight  1.00000E+00 volume  2.99232E+07 ppm1      7.486 ppm2      0.428
 ASSI {  267}
   (( resid 84   and name  HN  ))
   (  resid 84   and name  HD1#)

      4.000     2.200     0.000 peak   267 weight  1.00000E+00 volume  2.30623E+08 ppm1      7.488 ppm2      0.979
 ASSI {  268}
   (( resid 84   and name  HN  ))
   (  resid 84   and name  HD2#)

      4.000     2.200     0.000 peak   268 weight  1.00000E+00 volume  2.30054E+08 ppm1      7.488 ppm2      0.853
 ASSI {  269}
   (( resid 84   and name  HN  ))
   (( resid 84   and name  HG  ))

      4.000     2.200     0.000 peak   269 weight  1.00000E+00 volume  2.40244E+08 ppm1      7.488 ppm2      1.491
 ASSI {  270}
   (( resid 84   and name  HA  ))
   (( resid 84   and name  HG  ))

      4.000     2.200     0.000 peak   270 weight  1.00000E+00 volume  6.24189E+08 ppm1      4.002 ppm2      1.492
 ASSI {  272}
   (( resid 84   and name  HA  ))
   (  resid 84   and name  HD1#)

      4.000     2.200     0.000 peak   272 weight  1.00000E+00 volume  7.76529E+08 ppm1      4.003 ppm2      0.980
 ASSI {  273}
   (( resid 84   and name  HA  ))
   (  resid 84   and name  HD2#)

      2.800     1.000     0.000 peak   273 weight  1.00000E+00 volume  2.27180E+09 ppm1      4.003 ppm2      0.854
 ASSI {  276}
   (( resid 83   and name  HN  ))
   (( resid 83   and name  HA  ))

      2.800     1.000     0.000 peak   276 weight  1.00000E+00 volume  3.50941E+08 ppm1      8.663 ppm2      4.380
 ASSI {  277}
   (( resid 83   and name  HN  ))
   (( resid 83   and name  HB2 ))

      2.800     1.000     0.000 peak   277 weight  1.00000E+00 volume  4.51717E+08 ppm1      8.662 ppm2      2.916
 ASSI {  278}
   (( resid 83   and name  HN  ))
   (( resid 83   and name  HB1 ))

      2.800     1.000     0.000 peak   278 weight  1.00000E+00 volume  3.56948E+08 ppm1      8.662 ppm2      2.665
 ASSI {  279}
   (( resid 83   and name  HA  ))
   (( resid 83   and name  HB2 ))

      4.000     2.200     0.000 peak   279 weight  1.00000E+00 volume  4.77397E+08 ppm1      4.380 ppm2      2.916
 ASSI {  280}
   (( resid 83   and name  HA  ))
   (( resid 83   and name  HB1 ))

      4.000     2.200     0.000 peak   280 weight  1.00000E+00 volume  6.32867E+08 ppm1      4.377 ppm2      2.666
 ASSI {  281}
   (( resid 83   and name  HN  ))
   (( resid 82   and name  HA  ))

      4.000     2.200     0.000 peak   281 weight  1.00000E+00 volume  3.29409E+08 ppm1      8.660 ppm2      3.990
 ASSI {  282}
   (( resid 82   and name  HN  ))
   (( resid 82   and name  HA  ))

      2.800     1.000     0.000 peak   282 weight  1.00000E+00 volume  4.65054E+08 ppm1      8.557 ppm2      3.989
 ASSI {  283}
   (( resid 82   and name  HN  ))
   (( resid 81   and name  HA  ))

      4.000     2.200     0.000 peak   283 weight  1.00000E+00 volume  1.64292E+08 ppm1      8.559 ppm2      4.242
 ASSI {  284}
   (( resid 82   and name  HN  ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak   284 weight  1.00000E+00 volume  3.07530E+08 ppm1      8.557 ppm2      0.893
 ASSI {  285}
   (( resid 82   and name  HN  ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak   285 weight  1.00000E+00 volume  2.86540E+08 ppm1      8.558 ppm2      0.852
 ASSI {  286}
   (( resid 82   and name  HN  ))
   (( resid 82   and name  HB1 ))

      2.800     1.000     0.000 peak   286 weight  1.00000E+00 volume  1.73063E+08 ppm1      8.557 ppm2      2.309
 ASSI {  287}
   (( resid 82   and name  HN  ))
   (( resid 82   and name  HG  ))

      5.000     2.200     0.000 peak   287 weight  1.00000E+00 volume  2.11936E+08 ppm1      8.556 ppm2      1.536
 ASSI {  288}
   (( resid 79   and name  HN  ))
   (( resid 79   and name  HA  ))

      2.800     1.000     0.000 peak   288 weight  1.00000E+00 volume  4.67341E+08 ppm1      8.651 ppm2      3.944
 ASSI {  289}
   (( resid 79   and name  HN  ))
   (  resid 79   and name  HG# )

      2.800     1.000     0.000 peak   289 weight  1.00000E+00 volume  4.87183E+08 ppm1      8.652 ppm2      2.553
 ASSI {  290}
   (( resid 79   and name  HA  ))
   (  resid 79   and name  HG# )

      4.000     2.200     0.000 peak   290 weight  1.00000E+00 volume  4.07883E+08 ppm1      3.940 ppm2      2.554
 ASSI {  291}
   (( resid 79   and name  HN  ))
   (( resid 78   and name  HA  ))

      4.000     2.200     0.000 peak   291 weight  1.00000E+00 volume  1.56345E+08 ppm1      8.650 ppm2      3.471
 ASSI {  292}
   (  resid 78   and name  HG2#)
   (  resid 78   and name  HG1#)

      4.000     2.200     0.000 peak   292 weight  1.00000E+00 volume  2.88466E+09 ppm1      0.941 ppm2      0.774
 ASSI {  293}
   (( resid 78   and name  HA  ))
   (( resid 78   and name  HB  ))

      4.000     2.200     0.000 peak   293 weight  1.00000E+00 volume  8.84948E+07 ppm1      3.470 ppm2      2.104
 ASSI {  294}
   (( resid 77   and name  HN  ))
   (  resid 76   and name  HB# )

      4.000     2.200     0.000 peak   294 weight  1.00000E+00 volume  5.49474E+08 ppm1      8.128 ppm2      1.463
 ASSI {  296}
   (( resid 76   and name  HN  ))
   (  resid 76   and name  HB# )

      2.800     1.000     0.000 peak   296 weight  1.00000E+00 volume  1.23663E+09 ppm1      8.035 ppm2      1.464
 ASSI {  297}
   (( resid 76   and name  HN  ))
   (( resid 76   and name  HA  ))

      2.800     1.000     0.000 peak   297 weight  1.00000E+00 volume  1.07434E+09 ppm1      8.036 ppm2      4.073
 ASSI {  298}
   (( resid 76   and name  HA  ))
   (  resid 76   and name  HB# )

      4.000     2.200     0.000 peak   298 weight  1.00000E+00 volume  1.83277E+09 ppm1      4.072 ppm2      1.460
 ASSI {  300}
   (( resid 74   and name  HN  ))
   (( resid 74   and name  HA  ))

      2.800     1.000     0.000 peak   300 weight  1.00000E+00 volume  3.98719E+08 ppm1      7.617 ppm2      4.022
 ASSI {  301}
   (( resid 74   and name  HN  ))
   (( resid 73   and name  HB2 ))

      4.000     2.200     0.000 peak   301 weight  1.00000E+00 volume  7.40647E+07 ppm1      7.615 ppm2      2.655
 ASSI {  302}
   (( resid 74   and name  HN  ))
   (( resid 73   and name  HB1 ))

      4.000     2.200     0.000 peak   302 weight  1.00000E+00 volume  6.65163E+07 ppm1      7.618 ppm2      2.839
 ASSI {  303}
   (( resid 74   and name  HN  ))
   (( resid 74   and name  HG  ))

      5.000     3.200     0.000 peak   303 weight  1.00000E+00 volume  1.25469E+08 ppm1      7.616 ppm2      1.547
 ASSI {  304}
   (( resid 74   and name  HN  ))
   (  resid 60   and name  HD1#)

      6.000     4.200     0.000 peak   304 weight  1.00000E+00 volume  9.18674E+07 ppm1      7.619 ppm2      0.826
 ASSI {  305}
   (( resid 74   and name  HA  ))
   (  resid 74   and name  HD# )

      2.800     1.000     0.000 peak   305 weight  1.00000E+00 volume  2.11762E+09 ppm1      4.020 ppm2      0.949
 ASSI {  306}
   (( resid 74   and name  HA  ))
   (( resid 74   and name  HB1 ))

      2.800     1.000     0.000 peak   306 weight  1.00000E+00 volume  9.36374E+08 ppm1      4.022 ppm2      1.612
 ASSI {  307}
   (( resid 74   and name  HB2 ))
   (( resid 74   and name  HB1 ))

      2.500     0.700     0.000 peak   307 weight  1.00000E+00 volume  2.34230E+09 ppm1      1.751 ppm2      1.620
 ASSI {  308}
   (( resid 74   and name  HB2 ))
   (  resid 74   and name  HD# )

      4.000     2.200     0.000 peak   308 weight  1.00000E+00 volume  1.53615E+09 ppm1      1.748 ppm2      0.944
 ASSI {  309}
   (( resid 74   and name  HB2 ))
   (  resid 60   and name  HD1#)

      4.000     2.200     0.000 peak   309 weight  1.00000E+00 volume  1.02654E+09 ppm1      1.745 ppm2      0.827
 ASSI {  310}
   (( resid 69   and name  HA  ))
   (( resid 69   and name  HB1 ))

      2.800     1.000     0.000 peak   310 weight  1.00000E+00 volume  6.99447E+08 ppm1      4.602 ppm2      2.687
 ASSI {  311}
   (( resid 72   and name  HN  ))
   (( resid 72   and name  HA1 ))

      5.000     3.200     0.000 peak   311 weight  1.00000E+00 volume  8.46612E+07 ppm1      8.786 ppm2      3.866
 ASSI {  312}
   (( resid 72   and name  HN  ))
   (( resid 72   and name  HA2 ))

      5.000     3.200     0.000 peak   312 weight  1.00000E+00 volume  1.08403E+08 ppm1      8.786 ppm2      3.969
 ASSI {  313}
   (( resid 70   and name  HN  ))
   (( resid 69   and name  HB2 ))

      2.800     1.000     0.000 peak   313 weight  1.00000E+00 volume  3.38911E+08 ppm1      8.214 ppm2      2.612
 ASSI {  314}
   (( resid 69   and name  HN  ))
   (( resid 69   and name  HB1 ))

      4.000     2.200     0.000 peak   314 weight  1.00000E+00 volume  1.64835E+08 ppm1      8.283 ppm2      2.688
 ASSI {  315}
   (( resid 69   and name  HN  ))
   (( resid 69   and name  HB2 ))

      4.000     2.200     0.000 peak   315 weight  1.00000E+00 volume  4.32277E+08 ppm1      8.283 ppm2      2.611
 ASSI {  316}
   (( resid 69   and name  HN  ))
   (( resid 69   and name  HA  ))

      2.500     0.700     0.000 peak   316 weight  1.00000E+00 volume  1.86675E+08 ppm1      8.283 ppm2      4.603
 ASSI {  317}
   (( resid 69   and name  HA  ))
   (( resid 69   and name  HB2 ))

      2.800     1.000     0.000 peak   317 weight  1.00000E+00 volume  1.71002E+09 ppm1      4.603 ppm2      2.610
 ASSI {  318}
   (( resid 68   and name  HN  ))
   (( resid 68   and name  HA  ))

      4.000     2.200     0.000 peak   318 weight  1.00000E+00 volume  2.64036E+08 ppm1      8.363 ppm2      4.585
 ASSI {  319}
   (( resid 68   and name  HN  ))
   (( resid 68   and name  HB1 ))

      4.000     2.200     0.000 peak   319 weight  1.00000E+00 volume  1.37080E+08 ppm1      8.358 ppm2      2.688
 ASSI {  320}
   (( resid 68   and name  HN  ))
   (( resid 68   and name  HB2 ))

      4.000     2.200     0.000 peak   320 weight  1.00000E+00 volume  1.61411E+08 ppm1      8.359 ppm2      2.604
 ASSI {  321}
   (( resid 65   and name  HN  ))
   (  resid 65   and name  HB# )

      5.000     3.200     0.000 peak   321 weight  1.00000E+00 volume  4.49960E+08 ppm1      8.250 ppm2      1.409
 ASSI {  322}
   (( resid 65   and name  HN  ))
   (( resid 65   and name  HA  ))

      2.800     1.000     0.000 peak   322 weight  1.00000E+00 volume  3.12183E+08 ppm1      8.248 ppm2      4.344
 ASSI {  323}
   (( resid 65   and name  HA  ))
   (  resid 65   and name  HB# )

      4.000     2.200     0.000 peak   323 weight  1.00000E+00 volume  1.84243E+09 ppm1      4.344 ppm2      1.408
 ASSI {  324}
   (( resid 63   and name  HN  ))
   (( resid 62   and name  HA  ))

      4.000     2.200     0.000 peak   324 weight  1.00000E+00 volume  5.85824E+08 ppm1      8.026 ppm2      4.299
 ASSI {  325}
   (( resid 62   and name  HN  ))
   (( resid 62   and name  HA  ))

      2.800     1.000     0.000 peak   325 weight  1.00000E+00 volume  4.61470E+08 ppm1      7.699 ppm2      4.302
 ASSI {  326}
   (( resid 50   and name  HN  ))
   (( resid 50   and name  HA  ))

      2.800     1.000     0.000 peak   326 weight  1.00000E+00 volume  6.76759E+08 ppm1      7.718 ppm2      3.956
 ASSI {  327}
   (( resid 62   and name  HN  ))
   (( resid 61   and name  HB  ))

      2.800     1.000     0.000 peak   327 weight  1.00000E+00 volume  5.28655E+07 ppm1      7.705 ppm2      2.127
 ASSI {  330}
   (( resid 61   and name  HN  ))
   (  resid 61   and name  HG2#)

      4.000     2.200     0.000 peak   330 weight  1.00000E+00 volume  7.16905E+08 ppm1      8.008 ppm2      0.825
 ASSI {  331}
   (( resid 61   and name  HN  ))
   (  resid 61   and name  HG1#)

      4.000     2.200     0.000 peak   331 weight  1.00000E+00 volume  8.12791E+08 ppm1      8.007 ppm2      0.801
 ASSI {  332}
   (( resid 61   and name  HA  ))
   (  resid 61   and name  HG2#)

      4.000     2.200     0.000 peak   332 weight  1.00000E+00 volume  1.44504E+09 ppm1      4.012 ppm2      0.828
 ASSI {  333}
   (( resid 61   and name  HA  ))
   (  resid 61   and name  HG1#)

      4.000     2.200     0.000 peak   333 weight  1.00000E+00 volume  9.58457E+08 ppm1      4.013 ppm2      0.803
 ASSI {  334}
   (( resid 60   and name  HN  ))
   (( resid 60   and name  HA  ))

      4.000     2.200     0.000 peak   334 weight  1.00000E+00 volume  4.75376E+08 ppm1      7.746 ppm2      4.134
 ASSI {  335}
   (( resid 17   and name  HN  ))
   (( resid 16   and name  HA  ))

      4.000     2.200     0.000 peak   335 weight  1.00000E+00 volume  2.29744E+08 ppm1      7.778 ppm2      4.080
 ASSI {  336}
   (( resid 60   and name  HN  ))
   (( resid 59   and name  HA  ))

      4.000     2.200     0.000 peak   336 weight  1.00000E+00 volume  3.54698E+08 ppm1      7.743 ppm2      4.013
 ASSI {  337}
   (( resid 60   and name  HN  ))
   (( resid 57   and name  HA  ))

      4.000     2.200     0.000 peak   337 weight  1.00000E+00 volume  2.65764E+08 ppm1      7.745 ppm2      3.508
 ASSI {  339}
   (( resid 5    and name  HN  ))
   (( resid 5    and name  HB1 ))

      4.000     2.200     0.000 peak   339 weight  1.00000E+00 volume  2.57030E+08 ppm1      8.345 ppm2      3.829
 ASSI {  340}
   (( resid 91   and name  HN  ))
   (( resid 90   and name  HB1 ))

      4.000     2.200     0.000 peak   340 weight  1.00000E+00 volume  2.28047E+08 ppm1      8.346 ppm2      3.788
 ASSI {  341}
   (( resid 8    and name  HN  ))
   (  resid 7    and name  HA# )

      2.800     1.000     0.000 peak   341 weight  1.00000E+00 volume  4.93631E+08 ppm1      8.183 ppm2      3.933
 ASSI {  342}
   (( resid 12   and name  HN  ))
   (( resid 12   and name  HA  ))

      2.800     1.000     0.000 peak   342 weight  1.00000E+00 volume  2.68412E+08 ppm1      8.351 ppm2      4.287
 ASSI {  343}
   (( resid 12   and name  HB  ))
   (  resid 12   and name  HG2#)

      4.000     2.200     0.000 peak   343 weight  1.00000E+00 volume  9.01812E+08 ppm1      4.134 ppm2      1.208
 ASSI {  344}
   (( resid 13   and name  HN  ))
   (( resid 12   and name  HA  ))

      4.000     2.200     0.000 peak   344 weight  1.00000E+00 volume  3.55809E+08 ppm1      8.601 ppm2      4.292
 ASSI {  345}
   (( resid 13   and name  HN  ))
   (( resid 12   and name  HB  ))

      4.000     2.200     0.000 peak   345 weight  1.00000E+00 volume  9.62768E+07 ppm1      8.601 ppm2      4.140
 ASSI {  346}
   (( resid 13   and name  HA  ))
   (( resid 13   and name  HB2 ))

      4.000     2.200     0.000 peak   346 weight  1.00000E+00 volume  4.77172E+08 ppm1      4.701 ppm2      2.866
 ASSI {  347}
   (( resid 13   and name  HA  ))
   (( resid 13   and name  HB1 ))

      4.000     2.200     0.000 peak   347 weight  1.00000E+00 volume  4.11133E+08 ppm1      4.702 ppm2      2.781
 ASSI {  348}
   (( resid 61   and name  HN  ))
   (( resid 61   and name  HA  ))

      4.000     2.200     0.000 peak   348 weight  1.00000E+00 volume  5.50647E+08 ppm1      7.975 ppm2      3.966
 ASSI {  349}
   (( resid 16   and name  HN  ))
   (  resid 15   and name  HB# )

      2.800     1.000     0.000 peak   349 weight  1.00000E+00 volume  6.53894E+08 ppm1      7.950 ppm2      3.950
 ASSI {  350}
   (( resid 17   and name  HA  ))
   (  resid 17   and name  HD1#)

      4.000     2.200     0.000 peak   350 weight  1.00000E+00 volume  7.91863E+08 ppm1      3.861 ppm2      0.869
 ASSI {  351}
   (( resid 17   and name  HA  ))
   (( resid 17   and name  HG11))

      4.000     2.200     0.000 peak   351 weight  1.00000E+00 volume  3.74738E+08 ppm1      3.864 ppm2      1.266
 ASSI {  352}
   (( resid 17   and name  HA  ))
   (( resid 17   and name  HG12))

      4.000     2.200     0.000 peak   352 weight  1.00000E+00 volume  2.93081E+08 ppm1      3.862 ppm2      1.634
 ASSI {  354}
   (( resid 17   and name  HB  ))
   (  resid 17   and name  HD1#)

      4.000     2.200     0.000 peak   354 weight  1.00000E+00 volume  1.61365E+09 ppm1      2.032 ppm2      0.875
 ASSI {  357}
   (( resid 17   and name  HG12))
   (  resid 17   and name  HD1#)

      4.000     2.200     0.000 peak   357 weight  1.00000E+00 volume  1.46160E+09 ppm1      1.630 ppm2      0.863
 ASSI {  359}
   (( resid 17   and name  HG11))
   (  resid 17   and name  HD1#)

      4.000     2.200     0.000 peak   359 weight  1.00000E+00 volume  8.60454E+08 ppm1      1.269 ppm2      0.858
 ASSI {  360}
   (  resid 18   and name  HB# )
   (  resid 18   and name  HD# )

      4.000     2.200     0.000 peak   360 weight  1.00000E+00 volume  1.39271E+09 ppm1      1.877 ppm2      0.626
 ASSI {  361}
   (( resid 19   and name  HN  ))
   (( resid 19   and name  HB1 ))

      2.800     1.000     0.000 peak   361 weight  1.00000E+00 volume  5.88978E+08 ppm1      8.146 ppm2      2.843
 ASSI {  362}
   (( resid 19   and name  HN  ))
   (( resid 19   and name  HB2 ))

      2.800     1.000     0.000 peak   362 weight  1.00000E+00 volume  4.25058E+08 ppm1      8.145 ppm2      2.678
 ASSI {  363}
   (( resid 19   and name  HA  ))
   (( resid 19   and name  HB2 ))

      4.000     2.200     0.000 peak   363 weight  1.00000E+00 volume  6.51189E+08 ppm1      4.466 ppm2      2.677
 ASSI {  364}
   (( resid 19   and name  HA  ))
   (( resid 19   and name  HB1 ))

      4.000     2.200     0.000 peak   364 weight  1.00000E+00 volume  5.89328E+08 ppm1      4.466 ppm2      2.843
 ASSI {  365}
   (( resid 19   and name  HB1 ))
   (( resid 19   and name  HB2 ))

      2.500     0.700     0.000 peak   365 weight  1.00000E+00 volume  3.69910E+09 ppm1      2.838 ppm2      2.676
 ASSI {  366}
   (( resid 20   and name  HA  ))
   (( resid 20   and name  HB2 ))

      4.000     2.200     0.000 peak   366 weight  1.00000E+00 volume  3.88881E+08 ppm1      4.646 ppm2      3.447
 ASSI {  367}
   (( resid 20   and name  HA  ))
   (( resid 20   and name  HB1 ))

      4.000     2.200     0.000 peak   367 weight  1.00000E+00 volume  4.12853E+08 ppm1      4.646 ppm2      3.251
 ASSI {  368}
   (( resid 20   and name  HB2 ))
   (( resid 20   and name  HB1 ))

      2.800     1.000     0.000 peak   368 weight  1.00000E+00 volume  1.33958E+09 ppm1      3.441 ppm2      3.251
 ASSI {  369}
   (( resid 21   and name  HN  ))
   (( resid 20   and name  HB1 ))

      4.000     2.200     0.000 peak   369 weight  1.00000E+00 volume  2.30216E+08 ppm1      8.512 ppm2      3.252
 ASSI {  370}
   (( resid 21   and name  HN  ))
   (( resid 20   and name  HB2 ))

      4.000     2.200     0.000 peak   370 weight  1.00000E+00 volume  2.76641E+08 ppm1      8.515 ppm2      3.445
 ASSI {  371}
   (( resid 21   and name  HA  ))
   (( resid 24   and name  HB2 ))

      4.000     2.200     0.000 peak   371 weight  1.00000E+00 volume  3.60805E+08 ppm1      4.057 ppm2      3.039
 ASSI {  372}
   (( resid 21   and name  HN  ))
   (  resid 21   and name  HB# )

      2.800     1.000     0.000 peak   372 weight  1.00000E+00 volume  5.01385E+08 ppm1      8.517 ppm2      1.618
 ASSI {  373}
   (( resid 21   and name  HN  ))
   (( resid 21   and name  HG  ))

      4.000     2.200     0.000 peak   373 weight  1.00000E+00 volume  2.34784E+08 ppm1      8.516 ppm2      1.533
 ASSI {  374}
   (( resid 21   and name  HA  ))
   (  resid 21   and name  HB# )

      4.000     2.200     0.000 peak   374 weight  1.00000E+00 volume  6.18542E+08 ppm1      4.055 ppm2      1.617
 ASSI {  375}
   (( resid 21   and name  HA  ))
   (( resid 21   and name  HG  ))

      4.000     2.200     0.000 peak   375 weight  1.00000E+00 volume  4.46112E+08 ppm1      4.051 ppm2      1.531
 ASSI {  376}
   (( resid 21   and name  HA  ))
   (  resid 21   and name  HD1#)

      4.000     2.200     0.000 peak   376 weight  1.00000E+00 volume  1.00875E+09 ppm1      4.054 ppm2      0.724
 ASSI {  377}
   (( resid 21   and name  HA  ))
   (  resid 21   and name  HD1#)

      4.000     2.200     0.000 peak   377 weight  1.00000E+00 volume  8.00499E+08 ppm1      4.055 ppm2      0.829
 ASSI {  378}
   (( resid 21   and name  HN  ))
   (  resid 21   and name  HD1#)

      5.000     3.200     0.000 peak   378 weight  1.00000E+00 volume  2.70472E+08 ppm1      8.515 ppm2      0.829
 ASSI {  379}
   (( resid 21   and name  HN  ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak   379 weight  1.00000E+00 volume  2.65730E+08 ppm1      8.516 ppm2      0.851
 ASSI {  381}
   (( resid 21   and name  HB1 ))
   (  resid 21   and name  HD1#)

      4.000     2.200     0.000 peak   381 weight  1.00000E+00 volume  1.44125E+09 ppm1      1.611 ppm2      0.830
 ASSI {  382}
   (( resid 21   and name  HG  ))
   (  resid 21   and name  HD1#)

      2.800     1.000     0.000 peak   382 weight  1.00000E+00 volume  2.13387E+09 ppm1      1.522 ppm2      0.829
 ASSI {  383}
   (( resid 23   and name  HA  ))
   (( resid 23   and name  HB2 ))

      2.800     1.000     0.000 peak   383 weight  1.00000E+00 volume  2.20170E+08 ppm1      4.074 ppm2      2.181
 ASSI {  384}
   (( resid 16   and name  HA  ))
   (( resid 16   and name  HG2 ))

      4.000     2.200     0.000 peak   384 weight  1.00000E+00 volume  3.41686E+08 ppm1      4.076 ppm2      2.270
 ASSI {  385}
   (( resid 23   and name  HA  ))
   (( resid 23   and name  HG1 ))

      4.000     2.200     0.000 peak   385 weight  1.00000E+00 volume  4.25555E+08 ppm1      4.076 ppm2      2.403
 ASSI {  386}
   (( resid 23   and name  HA  ))
   (( resid 23   and name  HG2 ))

      4.000     2.200     0.000 peak   386 weight  1.00000E+00 volume  3.39563E+08 ppm1      4.078 ppm2      2.504
 ASSI {  387}
   (( resid 25   and name  HN  ))
   (( resid 24   and name  HB2 ))

      4.000     2.200     0.000 peak   387 weight  1.00000E+00 volume  2.35127E+08 ppm1      8.110 ppm2      3.039
 ASSI {  388}
   (( resid 25   and name  HN  ))
   (( resid 24   and name  HB1 ))

      4.000     2.200     0.000 peak   388 weight  1.00000E+00 volume  2.38867E+08 ppm1      8.107 ppm2      3.137
 ASSI {  390}
   (( resid 25   and name  HA  ))
   (  resid 25   and name  HD1#)

      5.000     3.200     0.000 peak   390 weight  1.00000E+00 volume  4.30598E+08 ppm1      3.777 ppm2      1.244
 ASSI {  391}
   (( resid 25   and name  HA  ))
   (  resid 25   and name  HD2#)

      4.000     2.200     0.000 peak   391 weight  1.00000E+00 volume  1.20402E+09 ppm1      3.776 ppm2      0.759
 ASSI {  392}
   (( resid 25   and name  HA  ))
   (  resid 25   and name  HD1#)

      5.000     3.200     0.000 peak   392 weight  1.00000E+00 volume  3.71333E+08 ppm1      3.780 ppm2      0.714
 ASSI {  393}
   (( resid 26   and name  HN  ))
   (( resid 26   and name  HA  ))

      4.000     2.200     0.000 peak   393 weight  1.00000E+00 volume  2.49151E+08 ppm1      8.673 ppm2      4.176
 ASSI {  394}
   (( resid 26   and name  HA  ))
   (( resid 26   and name  HB1 ))

      4.000     2.200     0.000 peak   394 weight  1.00000E+00 volume  3.47266E+08 ppm1      4.172 ppm2      2.549
 ASSI {  395}
   (( resid 26   and name  HA  ))
   (( resid 26   and name  HB2 ))

      4.000     2.200     0.000 peak   395 weight  1.00000E+00 volume  3.97203E+08 ppm1      4.173 ppm2      2.404
 ASSI {  396}
   (( resid 27   and name  HA  ))
   (  resid 27   and name  HE# )

      4.000     2.200     0.000 peak   396 weight  1.00000E+00 volume  2.64157E+08 ppm1      4.230 ppm2      3.002
 ASSI {  397}
   (( resid 27   and name  HA  ))
   (( resid 27   and name  HB1 ))

      4.000     2.200     0.000 peak   397 weight  1.00000E+00 volume  3.37263E+08 ppm1      4.236 ppm2      1.708
 ASSI {  398}
   (( resid 27   and name  HA  ))
   (  resid 27   and name  HD# )

      4.000     2.200     0.000 peak   398 weight  1.00000E+00 volume  3.43150E+08 ppm1      4.235 ppm2      1.558
 ASSI {  399}
   (( resid 27   and name  HA  ))
   (( resid 27   and name  HG2 ))

      4.000     2.200     0.000 peak   399 weight  1.00000E+00 volume  4.59165E+08 ppm1      4.234 ppm2      1.446
 ASSI {  400}
   (( resid 28   and name  HN  ))
   (( resid 27   and name  HA  ))

      4.000     2.200     0.000 peak   400 weight  1.00000E+00 volume  5.33750E+08 ppm1      7.881 ppm2      4.235
 ASSI {  401}
   (( resid 31   and name  HN  ))
   (( resid 31   and name  HB1 ))

      4.000     2.200     0.000 peak   401 weight  1.00000E+00 volume  2.10286E+08 ppm1      8.495 ppm2      2.748
 ASSI {  402}
   (( resid 31   and name  HN  ))
   (( resid 31   and name  HB2 ))

      4.000     2.200     0.000 peak   402 weight  1.00000E+00 volume  1.90202E+08 ppm1      8.493 ppm2      2.706
 ASSI {  405}
   (( resid 32   and name  HA  ))
   (( resid 32   and name  HB2 ))

      2.800     1.000     0.000 peak   405 weight  1.00000E+00 volume  1.05825E+09 ppm1      4.313 ppm2      3.899
 ASSI {  407}
   (( resid 34   and name  HA  ))
   (  resid 34   and name  HB# )

      4.000     2.200     0.000 peak   407 weight  1.00000E+00 volume  1.26542E+09 ppm1      4.166 ppm2      1.569
 ASSI {  408}
   (( resid 35   and name  HN  ))
   (( resid 35   and name  HA  ))

      2.800     1.000     0.000 peak   408 weight  1.00000E+00 volume  6.47838E+08 ppm1      7.902 ppm2      3.928
 ASSI {  409}
   (( resid 35   and name  HN  ))
   (( resid 34   and name  HA  ))

      4.000     2.200     0.000 peak   409 weight  1.00000E+00 volume  4.24601E+08 ppm1      7.903 ppm2      4.169
 ASSI {  410}
   (( resid 35   and name  HN  ))
   (( resid 35   and name  HB  ))

      2.800     1.000     0.000 peak   410 weight  1.00000E+00 volume  1.18536E+08 ppm1      7.903 ppm2      2.111
 ASSI {  416}
   (( resid 35   and name  HA  ))
   (  resid 35   and name  HG1#)

      4.000     2.200     0.000 peak   416 weight  1.00000E+00 volume  1.03100E+09 ppm1      3.927 ppm2      1.008
 ASSI {  417}
   (( resid 35   and name  HA  ))
   (  resid 35   and name  HG2#)

      4.000     2.200     0.000 peak   417 weight  1.00000E+00 volume  1.19492E+09 ppm1      3.929 ppm2      0.904
 ASSI {  418}
   (( resid 35   and name  HB  ))
   (  resid 35   and name  HG2#)

      4.000     2.200     0.000 peak   418 weight  1.00000E+00 volume  1.53110E+09 ppm1      2.102 ppm2      0.905
 ASSI {  419}
   (( resid 36   and name  HN  ))
   (( resid 35   and name  HA  ))

      4.000     2.200     0.000 peak   419 weight  1.00000E+00 volume  4.17314E+08 ppm1      7.809 ppm2      3.928
 ASSI {  420}
   (( resid 36   and name  HN  ))
   (( resid 36   and name  HA  ))

      4.000     2.200     0.000 peak   420 weight  1.00000E+00 volume  3.79607E+08 ppm1      7.808 ppm2      4.135
 ASSI {  421}
   (( resid 36   and name  HN  ))
   (  resid 35   and name  HG2#)

      5.000     3.200     0.000 peak   421 weight  1.00000E+00 volume  1.96701E+08 ppm1      7.811 ppm2      0.906
 ASSI {  423}
   (( resid 36   and name  HN  ))
   (  resid 35   and name  HG1#)

      5.000     3.200     0.000 peak   423 weight  1.00000E+00 volume  1.58694E+08 ppm1      7.812 ppm2      1.007
 ASSI {  424}
   (( resid 36   and name  HA  ))
   (( resid 36   and name  HB1 ))

      4.000     2.200     0.000 peak   424 weight  1.00000E+00 volume  3.16410E+08 ppm1      4.132 ppm2      1.738
 ASSI {  425}
   (( resid 36   and name  HA  ))
   (( resid 36   and name  HD2 ))

      4.000     2.200     0.000 peak   425 weight  1.00000E+00 volume  2.76880E+08 ppm1      4.131 ppm2      1.640
 ASSI {  426}
   (( resid 36   and name  HA  ))
   (( resid 36   and name  HG2 ))

      4.000     2.200     0.000 peak   426 weight  1.00000E+00 volume  2.47393E+08 ppm1      4.135 ppm2      1.377
 ASSI {  427}
   (( resid 38   and name  HN  ))
   (( resid 37   and name  HA  ))

      4.000     2.200     0.000 peak   427 weight  1.00000E+00 volume  3.21492E+08 ppm1      8.235 ppm2      4.169
 ASSI {  428}
   (( resid 38   and name  HN  ))
   (( resid 38   and name  HA  ))

      4.000     2.200     0.000 peak   428 weight  1.00000E+00 volume  5.40569E+08 ppm1      8.233 ppm2      3.870
 ASSI {  429}
   (( resid 44   and name  HN  ))
   (( resid 44   and name  HA  ))

      4.000     2.200     0.000 peak   429 weight  1.00000E+00 volume  1.32993E+08 ppm1      7.925 ppm2      4.501
 ASSI {  430}
   (( resid 48   and name  HN  ))
   (( resid 47   and name  HA  ))

      5.000     3.200     0.000 peak   430 weight  1.00000E+00 volume  1.17343E+08 ppm1      7.913 ppm2      4.480
 ASSI {  431}
   (( resid 44   and name  HN  ))
   (( resid 44   and name  HB2 ))

      4.000     2.200     0.000 peak   431 weight  1.00000E+00 volume  3.13261E+08 ppm1      7.922 ppm2      3.852
 ASSI {  432}
   (( resid 44   and name  HN  ))
   (( resid 44   and name  HB1 ))

      4.000     2.200     0.000 peak   432 weight  1.00000E+00 volume  2.50599E+08 ppm1      7.929 ppm2      3.799
 ASSI {  433}
   (( resid 44   and name  HA  ))
   (( resid 44   and name  HB2 ))

      2.800     1.000     0.000 peak   433 weight  1.00000E+00 volume  1.01514E+09 ppm1      4.501 ppm2      3.847
 ASSI {  434}
   (( resid 44   and name  HA  ))
   (( resid 44   and name  HB1 ))

      2.800     1.000     0.000 peak   434 weight  1.00000E+00 volume  7.37461E+08 ppm1      4.498 ppm2      3.798
 ASSI {  435}
   (( resid 58   and name  HN  ))
   (  resid 58   and name  HB# )

      2.500     0.700     0.000 peak   435 weight  1.00000E+00 volume  2.21310E+08 ppm1      7.893 ppm2      1.804
 ASSI {  436}
   (( resid 49   and name  HN  ))
   (( resid 49   and name  HA  ))

      4.000     2.200     0.000 peak   436 weight  1.00000E+00 volume  2.89130E+08 ppm1      8.826 ppm2      4.312
 ASSI {  438}
   (( resid 49   and name  HN  ))
   (  resid 49   and name  HG# )

      4.000     2.200     0.000 peak   438 weight  1.00000E+00 volume  1.09032E+08 ppm1      8.825 ppm2      2.366
 ASSI {  441}
   (( resid 49   and name  HA  ))
   (  resid 49   and name  HG# )

      4.000     2.200     0.000 peak   441 weight  1.00000E+00 volume  2.70280E+08 ppm1      4.305 ppm2      2.370
 ASSI {  442}
   (( resid 11   and name  HA  ))
   (( resid 11   and name  HG2 ))

      4.000     2.200     0.000 peak   442 weight  1.00000E+00 volume  2.37440E+08 ppm1      4.312 ppm2      2.201
 ASSI {  444}
   (( resid 49   and name  HA  ))
   (  resid 49   and name  HB# )

      4.000     2.200     0.000 peak   444 weight  1.00000E+00 volume  1.67142E+08 ppm1      4.318 ppm2      2.121
 ASSI {  445}
   (( resid 50   and name  HN  ))
   (  resid 50   and name  HB# )

      3.500     1.000     0.000 peak   445 weight  1.00000E+00 volume  1.71874E+08 ppm1      7.717 ppm2      1.770
 ASSI {  446}
   (( resid 50   and name  HN  ))
   (  resid 50   and name  HD# )

      2.800     1.000     0.000 peak   446 weight  1.00000E+00 volume  2.44878E+08 ppm1      7.720 ppm2      1.624
 ASSI {  447}
   (( resid 50   and name  HA  ))
   (  resid 50   and name  HB# )

      4.000     2.200     0.000 peak   447 weight  1.00000E+00 volume  3.41991E+08 ppm1      3.955 ppm2      1.767
 ASSI {  448}
   (( resid 50   and name  HA  ))
   (  resid 50   and name  HD# )

      4.000     2.200     0.000 peak   448 weight  1.00000E+00 volume  5.60388E+08 ppm1      3.957 ppm2      1.624
 ASSI {  450}
   (( resid 53   and name  HN  ))
   (  resid 53   and name  HD2#)

      4.000     2.200     0.000 peak   450 weight  1.00000E+00 volume  3.86014E+08 ppm1      8.150 ppm2      0.877
 ASSI {  451}
   (( resid 53   and name  HN  ))
   (  resid 53   and name  HD1#)

      4.000     2.200     0.000 peak   451 weight  1.00000E+00 volume  2.91173E+08 ppm1      8.149 ppm2      0.769
 ASSI {  452}
   (( resid 53   and name  HA  ))
   (  resid 53   and name  HD2#)

      4.000     2.200     0.000 peak   452 weight  1.00000E+00 volume  1.20231E+09 ppm1      4.520 ppm2      0.881
 ASSI {  453}
   (( resid 53   and name  HA  ))
   (  resid 53   and name  HD1#)

      5.000     3.200     0.000 peak   453 weight  1.00000E+00 volume  2.67989E+08 ppm1      4.520 ppm2      0.771
 ASSI {  456}
   (  resid 53   and name  HD2#)
   (  resid 53   and name  HD1#)

      4.000     2.200     0.000 peak   456 weight  1.00000E+00 volume  5.02199E+09 ppm1      0.877 ppm2      0.773
 ASSI {  463}
   (( resid 57   and name  HN  ))
   (( resid 57   and name  HA  ))

      4.000     2.200     0.000 peak   463 weight  1.00000E+00 volume  4.38999E+08 ppm1      8.125 ppm2      3.507
 ASSI {  464}
   (( resid 57   and name  HN  ))
   (  resid 56   and name  HB# )

      4.000     2.200     0.000 peak   464 weight  1.00000E+00 volume  5.70698E+08 ppm1      8.125 ppm2      1.323
 ASSI {  465}
   (( resid 57   and name  HN  ))
   (  resid 57   and name  HG1#)

      4.000     2.200     0.000 peak   465 weight  1.00000E+00 volume  8.06751E+08 ppm1      8.125 ppm2      1.074
 ASSI {  466}
   (( resid 57   and name  HN  ))
   (  resid 57   and name  HG2#)

      4.000     2.200     0.000 peak   466 weight  1.00000E+00 volume  4.15510E+08 ppm1      8.125 ppm2      0.837
 ASSI {  467}
   (( resid 48   and name  HN  ))
   (( resid 48   and name  HG  ))

      4.000     2.200     0.000 peak   467 weight  1.00000E+00 volume  2.66620E+08 ppm1      7.899 ppm2      1.073
 ASSI {  468}
   (( resid 58   and name  HN  ))
   (  resid 57   and name  HG2#)

      4.000     2.200     0.000 peak   468 weight  1.00000E+00 volume  2.63699E+08 ppm1      7.894 ppm2      0.839
 ASSI {  469}
   (( resid 58   and name  HN  ))
   (( resid 58   and name  HG2 ))

      4.000     2.200     0.000 peak   469 weight  1.00000E+00 volume  2.36237E+08 ppm1      7.900 ppm2      1.340
 ASSI {  470}
   (( resid 59   and name  HN  ))
   (( resid 59   and name  HA  ))

      2.800     1.000     0.000 peak   470 weight  1.00000E+00 volume  6.61782E+08 ppm1      7.405 ppm2      4.012
 ASSI {  471}
   (( resid 59   and name  HN  ))
   (( resid 58   and name  HA  ))

      5.000     3.200     0.000 peak   471 weight  1.00000E+00 volume  1.45630E+08 ppm1      7.404 ppm2      3.647
 ASSI {  472}
   (( resid 59   and name  HN  ))
   (( resid 59   and name  HB1 ))

      4.000     2.200     0.000 peak   472 weight  1.00000E+00 volume  1.17887E+08 ppm1      7.406 ppm2      1.791
 ASSI {  473}
   (( resid 59   and name  HN  ))
   (  resid 59   and name  HD# )

      2.800     1.000     0.000 peak   473 weight  1.00000E+00 volume  1.97719E+08 ppm1      7.405 ppm2      1.608
 ASSI {  474}
   (( resid 59   and name  HN  ))
   (( resid 59   and name  HG2 ))

      5.000     3.200     0.000 peak   474 weight  1.00000E+00 volume  1.40149E+08 ppm1      7.406 ppm2      1.410
 ASSI {  475}
   (( resid 59   and name  HA  ))
   (( resid 59   and name  HB1 ))

      4.000     2.200     0.000 peak   475 weight  1.00000E+00 volume  4.04857E+08 ppm1      4.007 ppm2      1.793
 ASSI {  476}
   (( resid 59   and name  HA  ))
   (( resid 59   and name  HD1 ))

      2.800     1.000     0.000 peak   476 weight  1.00000E+00 volume  9.36374E+08 ppm1      4.012 ppm2      1.609
 ASSI {  477}
   (( resid 59   and name  HA  ))
   (( resid 59   and name  HG2 ))

      2.800     1.000     0.000 peak   477 weight  1.00000E+00 volume  7.93045E+08 ppm1      4.011 ppm2      1.406
 ASSI {  478}
   (  resid 59   and name  HD# )
   (( resid 59   and name  HG2 ))

      2.500     0.700     0.000 peak   478 weight  1.00000E+00 volume  2.42644E+09 ppm1      1.607 ppm2      1.408
 ASSI {  479}
   (( resid 58   and name  HN  ))
   (( resid 58   and name  HA  ))

      2.800     1.000     0.000 peak   479 weight  1.00000E+00 volume  5.26438E+08 ppm1      7.893 ppm2      3.644
 ASSI {  480}
   (( resid 58   and name  HN  ))
   (( resid 57   and name  HA  ))

      4.000     2.200     0.000 peak   480 weight  1.00000E+00 volume  1.76785E+08 ppm1      7.893 ppm2      3.507
 ASSI {  481}
   (( resid 47   and name  HA  ))
   (( resid 47   and name  HB1 ))

      4.000     2.200     0.000 peak   481 weight  1.00000E+00 volume  4.54272E+08 ppm1      4.476 ppm2      3.169
 ASSI {  482}
   (( resid 47   and name  HA  ))
   (( resid 47   and name  HB2 ))

      4.000     2.200     0.000 peak   482 weight  1.00000E+00 volume  6.21551E+08 ppm1      4.475 ppm2      2.751
 ASSI {  483}
   (( resid 47   and name  HB1 ))
   (( resid 47   and name  HB2 ))

      2.800     1.000     0.000 peak   483 weight  1.00000E+00 volume  1.26757E+09 ppm1      3.164 ppm2      2.751
 ASSI {  484}
   (( resid 14   and name  HA  ))
   (( resid 47   and name  HB2 ))

      5.000     3.200     0.000 peak   484 weight  1.00000E+00 volume  1.25344E+08 ppm1      4.897 ppm2      2.753
 ASSI {  485}
   (( resid 14   and name  HA  ))
   (  resid 14   and name  HB# )

      4.000     2.200     0.000 peak   485 weight  1.00000E+00 volume  5.03588E+08 ppm1      4.898 ppm2      3.187
 ASSI {  486}
   (  resid 51   and name  HE# )
   (  resid 14   and name  HB# )

      5.000     3.200     0.000 peak   486 weight  1.00000E+00 volume  2.80775E+08 ppm1      6.768 ppm2      3.185
 ASSI {  487}
   (( resid 91   and name  HN  ))
   (( resid 90   and name  HA  ))

      2.500     0.700     0.000 peak   487 weight  1.00000E+00 volume  1.10201E+09 ppm1      8.346 ppm2      4.403
 ASSI {  488}
   (( resid 37   and name  HA  ))
   (( resid 37   and name  HB1 ))

      4.000     2.200     0.000 peak   488 weight  1.00000E+00 volume  5.38419E+08 ppm1      4.166 ppm2      2.829
 ASSI {  489}
   (( resid 60   and name  HA  ))
   (( resid 60   and name  HG  ))

      4.000     2.200     0.000 peak   489 weight  1.00000E+00 volume  4.99832E+08 ppm1      4.131 ppm2      1.508
 ASSI {  490}
   (( resid 60   and name  HA  ))
   (  resid 60   and name  HD1#)

      4.000     2.200     0.000 peak   490 weight  1.00000E+00 volume  1.50060E+09 ppm1      4.131 ppm2      0.828
 ASSI {  491}
   (( resid 60   and name  HA  ))
   (  resid 60   and name  HD1#)

      4.000     2.200     0.000 peak   491 weight  1.00000E+00 volume  5.65543E+08 ppm1      4.132 ppm2      0.799
 ASSI {  492}
   (( resid 60   and name  HB1 ))
   (( resid 60   and name  HG  ))

      2.800     1.000     0.000 peak   492 weight  1.00000E+00 volume  1.30714E+09 ppm1      1.979 ppm2      1.508
 ASSI {  493}
   (( resid 60   and name  HB1 ))
   (  resid 60   and name  HD1#)

      4.000     2.200     0.000 peak   493 weight  1.00000E+00 volume  1.45057E+09 ppm1      1.982 ppm2      0.827
 ASSI {  494}
   (( resid 60   and name  HB1 ))
   (  resid 60   and name  HD1#)

      4.000     2.200     0.000 peak   494 weight  1.00000E+00 volume  1.31377E+09 ppm1      1.980 ppm2      0.799
 ASSI {  495}
   (( resid 60   and name  HG  ))
   (  resid 60   and name  HD1#)

      4.000     2.200     0.000 peak   495 weight  1.00000E+00 volume  1.22050E+09 ppm1      1.511 ppm2      0.803
 ASSI {  497}
   (( resid 62   and name  HA  ))
   (( resid 62   and name  HB2 ))

      2.800     1.000     0.000 peak   497 weight  1.00000E+00 volume  2.54468E+08 ppm1      4.296 ppm2      1.824
 ASSI {  498}
   (( resid 62   and name  HA  ))
   (( resid 62   and name  HB1 ))

      4.000     2.200     0.000 peak   498 weight  1.00000E+00 volume  3.56215E+08 ppm1      4.295 ppm2      1.636
 ASSI {  500}
   (( resid 62   and name  HA  ))
   (( resid 62   and name  HD1 ))

      4.000     2.200     0.000 peak   500 weight  1.00000E+00 volume  3.50316E+08 ppm1      4.302 ppm2      1.466
 ASSI {  501}
   (( resid 63   and name  HN  ))
   (  resid 63   and name  HD# )

      4.000     2.200     0.000 peak   501 weight  1.00000E+00 volume  1.70098E+08 ppm1      8.030 ppm2      3.203
 ASSI {  502}
   (( resid 99   and name  HN  ))
   (( resid 98   and name  HA  ))

      4.000     2.200     0.000 peak   502 weight  1.00000E+00 volume  5.67181E+08 ppm1      8.221 ppm2      4.290
 ASSI {  503}
   (( resid 22   and name  HA  ))
   (( resid 22   and name  HB1 ))

      4.000     2.200     0.000 peak   503 weight  1.00000E+00 volume  4.55552E+08 ppm1      3.625 ppm2      3.317
 ASSI {  505}
   (( resid 22   and name  HA  ))
   (( resid 22   and name  HB2 ))

      4.000     2.200     0.000 peak   505 weight  1.00000E+00 volume  4.89581E+08 ppm1      3.626 ppm2      3.017
 ASSI {  506}
   (( resid 22   and name  HB1 ))
   (( resid 22   and name  HB2 ))

      2.800     1.000     0.000 peak   506 weight  1.00000E+00 volume  9.89829E+08 ppm1      3.318 ppm2      3.010
 ASSI {  507}
   (( resid 24   and name  HA  ))
   (( resid 24   and name  HB1 ))

      4.000     2.200     0.000 peak   507 weight  1.00000E+00 volume  5.23992E+08 ppm1      4.226 ppm2      3.136
 ASSI {  508}
   (( resid 24   and name  HA  ))
   (( resid 24   and name  HB2 ))

      4.000     2.200     0.000 peak   508 weight  1.00000E+00 volume  3.43176E+08 ppm1      4.226 ppm2      3.044
 ASSI {  509}
   (( resid 21   and name  HA  ))
   (( resid 24   and name  HB1 ))

      4.000     2.200     0.000 peak   509 weight  1.00000E+00 volume  3.35476E+08 ppm1      4.057 ppm2      3.136
 ASSI {  510}
   (( resid 41   and name  HB2 ))
   (( resid 41   and name  HB1 ))

      2.800     1.000     0.000 peak   510 weight  1.00000E+00 volume  1.44664E+09 ppm1      3.087 ppm2      2.833
 ASSI {  511}
   (  resid 37   and name  HD# )
   (( resid 37   and name  HA  ))

      4.000     2.200     0.000 peak   511 weight  1.00000E+00 volume  6.16056E+08 ppm1      6.889 ppm2      4.169
 ASSI {  512}
   (  resid 41   and name  HD# )
   (( resid 41   and name  HA  ))

      4.000     2.200     0.000 peak   512 weight  1.00000E+00 volume  5.71768E+08 ppm1      7.070 ppm2      4.292
 ASSI {  513}
   (  resid 41   and name  HD# )
   (( resid 37   and name  HA  ))

      4.000     2.200     0.000 peak   513 weight  1.00000E+00 volume  4.17909E+08 ppm1      7.067 ppm2      4.166
 ASSI {  519}
   (  resid 24   and name  HD# )
   (( resid 24   and name  HA  ))

      4.000     2.200     0.000 peak   519 weight  1.00000E+00 volume  6.71197E+08 ppm1      6.962 ppm2      4.226
 ASSI {  520}
   (  resid 22   and name  HD# )
   (( resid 22   and name  HA  ))

      4.000     2.200     0.000 peak   520 weight  1.00000E+00 volume  4.67848E+08 ppm1      6.955 ppm2      3.633
 ASSI {  521}
   (  resid 22   and name  HD# )
   (( resid 22   and name  HB1 ))

      4.000     2.200     0.000 peak   521 weight  1.00000E+00 volume  4.80290E+08 ppm1      6.954 ppm2      3.322
 ASSI {  522}
   (  resid 22   and name  HD# )
   (( resid 22   and name  HB2 ))

      4.000     2.200     0.000 peak   522 weight  1.00000E+00 volume  8.27959E+08 ppm1      6.958 ppm2      3.028
 ASSI {  523}
   (  resid 51   and name  HD# )
   (( resid 51   and name  HB2 ))

      4.000     2.200     0.000 peak   523 weight  1.00000E+00 volume  3.75411E+08 ppm1      7.263 ppm2      2.399
 ASSI {  524}
   (  resid 51   and name  HD# )
   (( resid 51   and name  HB1 ))

      4.000     2.200     0.000 peak   524 weight  1.00000E+00 volume  6.01000E+08 ppm1      7.263 ppm2      3.470
 ASSI {  526}
   (  resid 51   and name  HD# )
   (( resid 50   and name  HA  ))

      5.000     3.200     0.000 peak   526 weight  1.00000E+00 volume  1.01643E+08 ppm1      7.263 ppm2      3.959
 ASSI {  527}
   (  resid 51   and name  HD# )
   (( resid 48   and name  HA  ))

      5.000     3.200     0.000 peak   527 weight  1.00000E+00 volume  1.69047E+08 ppm1      7.262 ppm2      4.191
 ASSI {  528}
   (( resid 49   and name  HN  ))
   (( resid 48   and name  HA  ))

      5.000     3.200     0.000 peak   528 weight  1.00000E+00 volume  9.54687E+07 ppm1      8.827 ppm2      4.191
 ASSI {  529}
   (  resid 51   and name  HD# )
   (( resid 47   and name  HA  ))

      6.000     4.200     0.000 peak   529 weight  1.00000E+00 volume  6.10545E+07 ppm1      7.262 ppm2      4.480
 ASSI {  531}
   (  resid 51   and name  HD# )
   (( resid 85   and name  HB  ))

      5.000     3.200     0.000 peak   531 weight  1.00000E+00 volume  1.09000E+08 ppm1      7.262 ppm2      1.621
 ASSI {  535}
   (  resid 41   and name  HD# )
   (( resid 41   and name  HB2 ))

      4.000     2.200     0.000 peak   535 weight  1.00000E+00 volume  5.70445E+08 ppm1      7.070 ppm2      3.093
 ASSI {  536}
   (  resid 41   and name  HD# )
   (( resid 41   and name  HB1 ))

      4.000     2.200     0.000 peak   536 weight  1.00000E+00 volume  6.52323E+08 ppm1      7.070 ppm2      2.834
 ASSI {  538}
   (( resid 51   and name  HN  ))
   (( resid 50   and name  HA  ))

      4.000     2.200     0.000 peak   538 weight  1.00000E+00 volume  2.22243E+08 ppm1      6.894 ppm2      3.956
 ASSI {  540}
   (  resid 37   and name  HD# )
   (( resid 37   and name  HB1 ))

      4.000     2.200     0.000 peak   540 weight  1.00000E+00 volume  3.89295E+08 ppm1      6.889 ppm2      2.829
 ASSI {  541}
   (  resid 37   and name  HD# )
   (( resid 37   and name  HB2 ))

      4.000     2.200     0.000 peak   541 weight  1.00000E+00 volume  3.67082E+08 ppm1      6.888 ppm2      2.758
 ASSI {  542}
   (( resid 51   and name  HN  ))
   (( resid 51   and name  HB2 ))

      4.000     2.200     0.000 peak   542 weight  1.00000E+00 volume  1.60993E+08 ppm1      6.894 ppm2      2.400
 ASSI {  546}
   (  resid 37   and name  HD# )
   (  resid 61   and name  HG# )

      6.000     4.200     0.000 peak   546 weight  1.00000E+00 volume  1.67822E+08 ppm1      6.890 ppm2      0.801
 ASSI {  550}
   (  resid 24   and name  HD# )
   (  resid 21   and name  HD1#)

      5.000     3.200     0.000 peak   550 weight  1.00000E+00 volume  3.47637E+08 ppm1      6.963 ppm2      0.829
 ASSI {  551}
   (  resid 24   and name  HD# )
   (  resid 25   and name  HD2#)

      5.000     3.200     0.000 peak   551 weight  1.00000E+00 volume  6.67194E+08 ppm1      6.963 ppm2      0.759
 ASSI {  552}
   (  resid 24   and name  HD# )
   (  resid 21   and name  HD1#)

      5.000     3.200     0.000 peak   552 weight  1.00000E+00 volume  5.53193E+08 ppm1      6.962 ppm2      0.721
 ASSI {  553}
   (  resid 22   and name  HD# )
   (( resid 79   and name  HA  ))

      4.000     2.200     0.000 peak   553 weight  1.00000E+00 volume  3.13365E+08 ppm1      6.956 ppm2      3.944
 ASSI {  554}
   (  resid 22   and name  HD# )
   (( resid 23   and name  HA  ))

      4.000     2.200     0.000 peak   554 weight  1.00000E+00 volume  4.47157E+08 ppm1      6.955 ppm2      4.077
 ASSI {  555}
   (( resid 16   and name  HN  ))
   (( resid 16   and name  HA  ))

      2.800     1.000     0.000 peak   555 weight  1.00000E+00 volume  6.06644E+08 ppm1      7.983 ppm2      4.078
 ASSI {  556}
   (  resid 22   and name  HE# )
   (( resid 23   and name  HA  ))

      5.000     3.200     0.000 peak   556 weight  1.00000E+00 volume  1.45243E+08 ppm1      6.779 ppm2      4.079
 ASSI {  557}
   (  resid 22   and name  HD# )
   (  resid 22   and name  HE# )

      2.800     1.000     0.000 peak   557 weight  1.00000E+00 volume  4.77844E+09 ppm1      6.953 ppm2      6.782
 ASSI {  558}
   (  resid 22   and name  HE# )
   (( resid 79   and name  HA  ))

      5.000     3.200     0.000 peak   558 weight  1.00000E+00 volume  2.28547E+08 ppm1      6.779 ppm2      3.943
 ASSI {  559}
   (  resid 22   and name  HD# )
   (( resid 82   and name  HB1 ))

      5.000     3.200     0.000 peak   559 weight  1.00000E+00 volume  2.20486E+08 ppm1      6.956 ppm2      2.309
 ASSI {  560}
   (( resid 83   and name  HN  ))
   (( resid 82   and name  HB1 ))

      4.000     2.200     0.000 peak   560 weight  1.00000E+00 volume  1.15037E+08 ppm1      8.661 ppm2      2.309
 ASSI {  561}
   (  resid 22   and name  HE# )
   (( resid 82   and name  HB1 ))

      5.000     3.200     0.000 peak   561 weight  1.00000E+00 volume  1.03208E+08 ppm1      6.779 ppm2      2.308
 ASSI {  562}
   (  resid 22   and name  HD# )
   (  resid 27   and name  HD# )

      4.000     2.200     0.000 peak   562 weight  1.00000E+00 volume  4.32967E+08 ppm1      6.954 ppm2      1.561
 ASSI {  564}
   (( resid 26   and name  HN  ))
   (  resid 27   and name  HD# )

      4.000     2.200     0.000 peak   564 weight  1.00000E+00 volume  2.27704E+08 ppm1      8.662 ppm2      1.562
 ASSI {  565}
   (  resid 22   and name  HE# )
   (  resid 27   and name  HD# )

      4.000     2.200     0.000 peak   565 weight  1.00000E+00 volume  4.14341E+08 ppm1      6.781 ppm2      1.563
 ASSI {  567}
   (  resid 22   and name  HD# )
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak   567 weight  1.00000E+00 volume  7.08915E+08 ppm1      6.954 ppm2      0.895
 ASSI {  568}
   (( resid 83   and name  HN  ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak   568 weight  1.00000E+00 volume  1.55966E+08 ppm1      8.657 ppm2      0.894
 ASSI {  569}
   (( resid 97   and name  HN  ))
   (  resid 97   and name  HB# )

      4.000     2.200     0.000 peak   569 weight  1.00000E+00 volume  1.08209E+09 ppm1      8.494 ppm2      1.330
 ASSI {  571}
   (( resid 22   and name  HN  ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak   571 weight  1.00000E+00 volume  2.94372E+08 ppm1      8.495 ppm2      0.894
 ASSI {  572}
   (  resid 22   and name  HE# )
   (  resid 82   and name  HD1#)

      6.000     4.200     0.000 peak   572 weight  1.00000E+00 volume  1.77266E+08 ppm1      6.781 ppm2      0.894
 ASSI {  574}
   (  resid 22   and name  HD# )
   (( resid 26   and name  HB2 ))

      5.000     3.200     0.000 peak   574 weight  1.00000E+00 volume  2.05433E+08 ppm1      6.954 ppm2      2.405
 ASSI {  575}
   (  resid 22   and name  HE# )
   (( resid 26   and name  HB2 ))

      5.000     3.200     0.000 peak   575 weight  1.00000E+00 volume  1.56490E+08 ppm1      6.776 ppm2      2.402
 ASSI {  576}
   (  resid 22   and name  HD# )
   (( resid 26   and name  HB1 ))

      5.000     3.200     0.000 peak   576 weight  1.00000E+00 volume  1.53255E+08 ppm1      6.956 ppm2      2.548
 ASSI {  577}
   (  resid 22   and name  HE# )
   (( resid 26   and name  HB1 ))

      5.000     3.200     0.000 peak   577 weight  1.00000E+00 volume  1.31275E+08 ppm1      6.778 ppm2      2.548
 ASSI {  579}
   (  resid 22   and name  HD# )
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak   579 weight  1.00000E+00 volume  3.45241E+08 ppm1      6.955 ppm2      0.851
 ASSI {  580}
   (  resid 22   and name  HE# )
   (( resid 22   and name  HA  ))

      5.000     3.200     0.000 peak   580 weight  1.00000E+00 volume  1.45448E+08 ppm1      6.777 ppm2      3.637
 ASSI {  581}
   (  resid 51   and name  HD# )
   (  resid 51   and name  HE# )

      2.800     1.000     0.000 peak   581 weight  1.00000E+00 volume  3.41078E+09 ppm1      7.262 ppm2      6.770
 ASSI {  582}
   (  resid 51   and name  HE# )
   (( resid 51   and name  HB1 ))

      5.000     3.200     0.000 peak   582 weight  1.00000E+00 volume  1.49089E+08 ppm1      6.770 ppm2      3.472
 ASSI {  583}
   (  resid 51   and name  HD# )
   (  resid 18   and name  HD# )

      5.000     3.200     0.000 peak   583 weight  1.00000E+00 volume  3.42077E+08 ppm1      7.263 ppm2      0.627
 ASSI {  584}
   (  resid 51   and name  HE# )
   (  resid 18   and name  HD# )

      5.000     3.200     0.000 peak   584 weight  1.00000E+00 volume  4.40318E+08 ppm1      6.768 ppm2      0.629
 ASSI {  585}
   (  resid 51   and name  HD# )
   (  resid 53   and name  HD1#)

      5.000     3.200     0.000 peak   585 weight  1.00000E+00 volume  3.15253E+08 ppm1      7.263 ppm2      0.770
 ASSI {  587}
   (  resid 51   and name  HD# )
   (  resid 91   and name  HG1#)

      6.000     4.200     0.000 peak   587 weight  1.00000E+00 volume  2.32728E+08 ppm1      7.263 ppm2      1.021
 ASSI {  590}
   (  resid 51   and name  HE# )
   (  resid 91   and name  HG1#)

      6.000     4.200     0.000 peak   590 weight  1.00000E+00 volume  1.17836E+08 ppm1      6.768 ppm2      1.020
 ASSI {  591}
   (( resid 85   and name  HN  ))
   (  resid 91   and name  HG1#)

      6.000     4.200     0.000 peak   591 weight  1.00000E+00 volume  1.24623E+08 ppm1      8.047 ppm2      1.021
 ASSI {  599}
   (  resid 41   and name  HE# )
   (( resid 61   and name  HA  ))

      5.000     3.200     0.000 peak   599 weight  1.00000E+00 volume  1.72213E+08 ppm1      7.145 ppm2      4.016
 ASSI {  607}
   (( resid 86   and name  HE  ))
   (( resid 86   and name  HD2 ))

      4.000     2.200     0.000 peak   607 weight  1.00000E+00 volume  2.53577E+08 ppm1      7.007 ppm2      2.753
 ASSI {  610}
   (  resid 41   and name  HD# )
   (  resid 17   and name  HD1#)

      5.000     3.200     0.000 peak   610 weight  1.00000E+00 volume  6.82585E+08 ppm1      7.074 ppm2      0.872
 ASSI {  613}
   (( resid 25   and name  HN  ))
   (  resid 25   and name  HD2#)

      5.000     3.200     0.000 peak   613 weight  1.00000E+00 volume  3.73617E+08 ppm1      8.110 ppm2      0.760
 ASSI {  614}
   (( resid 99   and name  HN  ))
   (( resid 99   and name  HA  ))

      4.000     2.200     0.000 peak   614 weight  1.00000E+00 volume  1.19074E+08 ppm1      8.221 ppm2      4.525
 ASSI {  615}
   (( resid 31   and name  HA  ))
   (  resid 34   and name  HB# )

      5.000     3.200     0.000 peak   615 weight  1.00000E+00 volume  2.93584E+08 ppm1      4.527 ppm2      1.576
 ASSI {  617}
   (( resid 26   and name  HB1 ))
   (  resid 27   and name  HD# )

      4.000     2.200     0.000 peak   617 weight  1.00000E+00 volume  4.45616E+08 ppm1      2.548 ppm2      1.563
 ASSI {  618}
   (( resid 26   and name  HB2 ))
   (  resid 27   and name  HD# )

      4.000     2.200     0.000 peak   618 weight  1.00000E+00 volume  4.47442E+08 ppm1      2.405 ppm2      1.563
! ASSI {  619}
!   (( resid 79   and name  HB2 ))
!   (  resid 27   and name  HD# )

!      5.000     2.200     0.000 peak   619 weight  1.00000E+00 volume  5.15114E+08 ppm1      2.176 ppm2      1.563
 ASSI {  620}
   (( resid 79   and name  HA  ))
   (( resid 79   and name  HB2 ))

      4.000     2.200     0.000 peak   620 weight  1.00000E+00 volume  2.39702E+08 ppm1      3.942 ppm2      2.183
! ASSI {  622}
!   (( resid 79   and name  HB1 ))
!   (  resid 27   and name  HD# )
!
!      4.000     2.200     0.000 peak   622 weight  1.00000E+00 volume  1.00622E+09 ppm1      1.991 ppm2      1.563
 ASSI {  624}
   (( resid 25   and name  HG  ))
   (  resid 25   and name  HD1#)

      4.000     2.200     0.000 peak   624 weight  1.00000E+00 volume  8.06005E+08 ppm1      1.739 ppm2      0.713
!ASSI {  625}
!  (  resid 25   and name  HD1#)
!  (  resid 25   and name  HD1#)

!     5.000     3.200     0.000 peak   625 weight  1.00000E+00 volume  6.32607E+08 ppm1      1.240 ppm2      0.712
 ASSI {  626}
   (( resid 14   and name  HB1 ))
   (  resid 18   and name  HD# )

      5.000     3.200     0.000 peak   626 weight  1.00000E+00 volume  3.55487E+08 ppm1      3.179 ppm2      0.627
 ASSI {  628}
   (( resid 15   and name  HB2 ))
   (  resid 18   and name  HD1#)

      4.000     2.200     0.000 peak   628 weight  1.00000E+00 volume  4.92609E+08 ppm1      3.965 ppm2      0.630
 ASSI {  630}
   (( resid 100  and name  HD1 ))
   (  resid 99   and name  HB# )

      4.000     2.200     0.000 peak   630 weight  1.00000E+00 volume  4.27597E+08 ppm1      3.596 ppm2      1.339
 ASSI {  631}
   (( resid 62   and name  HE2 ))
   (  resid 74   and name  HD# )

      4.000     2.200     0.000 peak   631 weight  1.00000E+00 volume  4.65276E+08 ppm1      2.934 ppm2      0.948
 ASSI {  632}
   (( resid 21   and name  HN  ))
   (  resid 21   and name  HD1#)

      5.000     3.200     0.000 peak   632 weight  1.00000E+00 volume  2.21934E+08 ppm1      8.512 ppm2      0.724
 ASSI {  633}
   (( resid 22   and name  HA  ))
   (  resid 82   and name  HD1#)

      4.000     2.200     0.000 peak   633 weight  1.00000E+00 volume  5.63587E+08 ppm1      3.627 ppm2      0.895
 ASSI {  635}
   (( resid 25   and name  HN  ))
   (  resid 25   and name  HD1#)

      5.000     3.200     0.000 peak   635 weight  1.00000E+00 volume  3.29385E+08 ppm1      8.110 ppm2      0.715
 ASSI {  636}
   (( resid 51   and name  HB1 ))
   (  resid 85   and name  HD1#)

      5.000     3.200     0.000 peak   636 weight  1.00000E+00 volume  2.86571E+08 ppm1      3.467 ppm2      0.428
 ASSI {  637}
   (( resid 82   and name  HA  ))
   (  resid 85   and name  HD1#)

      4.000     2.200     0.000 peak   637 weight  1.00000E+00 volume  5.82618E+08 ppm1      3.986 ppm2      0.428
 ASSI {  638}
   (( resid 74   and name  HB1 ))
   (  resid 74   and name  HD# )

      2.800     1.000     0.000 peak   638 weight  1.00000E+00 volume  2.06723E+09 ppm1      1.611 ppm2      0.946
 ASSI {  639}
   (( resid 74   and name  HG  ))
   (  resid 74   and name  HD# )

      2.800     1.000     0.000 peak   639 weight  1.00000E+00 volume  2.41285E+09 ppm1      1.541 ppm2      0.947
 ASSI {  640}
   (( resid 82   and name  HB2 ))
   (  resid 82   and name  HD1#)

      4.000     2.200     0.000 peak   640 weight  1.00000E+00 volume  1.14316E+09 ppm1      1.913 ppm2      0.894
 ASSI {  641}
   (( resid 48   and name  HB1 ))
   (  resid 48   and name  HD1#)

      4.000     2.200     0.000 peak   641 weight  1.00000E+00 volume  1.39690E+09 ppm1      1.805 ppm2      0.874
 ASSI {  642}
   (( resid 82   and name  HB2 ))
   (  resid 82   and name  HD1#)

      4.000     2.200     0.000 peak   642 weight  1.00000E+00 volume  1.44988E+09 ppm1      1.911 ppm2      0.851
 ASSI {  643}
   (( resid 84   and name  HB1 ))
   (  resid 84   and name  HD2#)

      4.000     2.200     0.000 peak   643 weight  1.00000E+00 volume  1.74573E+09 ppm1      1.852 ppm2      0.853
 ASSI {  644}
   (( resid 60   and name  HB2 ))
   (  resid 60   and name  HD1#)

      4.000     2.200     0.000 peak   644 weight  1.00000E+00 volume  1.68231E+09 ppm1      1.858 ppm2      0.828
 ASSI {  645}
   (( resid 60   and name  HB2 ))
   (  resid 60   and name  HD1#)

      4.000     2.200     0.000 peak   645 weight  1.00000E+00 volume  1.31934E+09 ppm1      1.857 ppm2      0.801
 ASSI {  646}
   (( resid 82   and name  HB2 ))
   (  resid 53   and name  HD1#)

      4.000     2.200     0.000 peak   646 weight  1.00000E+00 volume  7.40078E+08 ppm1      1.915 ppm2      0.772
 ASSI {  650}
   (( resid 48   and name  HB2 ))
   (( resid 48   and name  HG  ))

      2.800     1.000     0.000 peak   650 weight  1.00000E+00 volume  9.49064E+08 ppm1      2.036 ppm2      1.068
 ASSI {  652}
   (( resid 17   and name  HB  ))
   (  resid 17   and name  HG2#)

      4.000     2.200     0.000 peak   652 weight  1.00000E+00 volume  1.82526E+09 ppm1      2.029 ppm2      0.984
 ASSI {  654}
   (( resid 48   and name  HB1 ))
   (  resid 48   and name  HD2#)

      4.000     2.200     0.000 peak   654 weight  1.00000E+00 volume  1.03661E+09 ppm1      1.806 ppm2      0.739
 ASSI {  655}
   (  resid 25   and name  HB# )
   (  resid 25   and name  HD1#)

      4.000     2.200     0.000 peak   655 weight  1.00000E+00 volume  1.35839E+09 ppm1      1.976 ppm2      0.714
 ASSI {  657}
   (( resid 82   and name  HG  ))
   (  resid 82   and name  HD1#)

      4.000     2.200     0.000 peak   657 weight  1.00000E+00 volume  1.23377E+09 ppm1      1.530 ppm2      0.894
 ASSI {  658}
   (( resid 84   and name  HB1 ))
   (  resid 84   and name  HD1#)

      4.000     2.200     0.000 peak   658 weight  1.00000E+00 volume  1.29187E+09 ppm1      1.854 ppm2      0.980
 ASSI {  660}
   (  resid 57   and name  HG1#)
   (  resid 53   and name  HD1#)

      4.000     2.200     0.000 peak   660 weight  1.00000E+00 volume  1.41719E+09 ppm1      1.070 ppm2      0.773
 ASSI {  661}
   (( resid 48   and name  HG  ))
   (  resid 48   and name  HD2#)

      4.000     2.200     0.000 peak   661 weight  1.00000E+00 volume  1.56457E+09 ppm1      1.069 ppm2      0.738
 ASSI {  663}
   (( resid 48   and name  HG  ))
   (  resid 48   and name  HD1#)

      2.800     1.000     0.000 peak   663 weight  1.00000E+00 volume  1.99529E+09 ppm1      1.069 ppm2      0.875
 ASSI {  666}
   (( resid 51   and name  HB1 ))
   (  resid 53   and name  HD2#)

      4.000     2.200     0.000 peak   666 weight  1.00000E+00 volume  5.70710E+08 ppm1      3.469 ppm2      0.881
 ASSI {  668}
   (  resid 63   and name  HD# )
   (  resid 63   and name  HG# )

      2.800     1.000     0.000 peak   668 weight  1.00000E+00 volume  6.60416E+08 ppm1      3.203 ppm2      1.654
 ASSI {  669}
   (( resid 75   and name  HD2 ))
   (  resid 75   and name  HG# )

      2.800     1.000     0.000 peak   669 weight  1.00000E+00 volume  3.67681E+08 ppm1      3.278 ppm2      1.405
 ASSI {  670}
   (( resid 75   and name  HD1 ))
   (  resid 75   and name  HG# )

      2.800     1.000     0.000 peak   670 weight  1.00000E+00 volume  3.87907E+08 ppm1      3.140 ppm2      1.404
 ASSI {  673}
   (( resid 54   and name  HG2 ))
   (  resid 54   and name  HB# )

      4.000     2.200     0.000 peak   673 weight  1.00000E+00 volume  3.18664E+08 ppm1      2.115 ppm2      1.848
 ASSI {  676}
   (( resid 84   and name  HB2 ))
   (( resid 84   and name  HG  ))

      2.800     1.000     0.000 peak   676 weight  1.00000E+00 volume  1.34855E+09 ppm1      2.036 ppm2      1.493
 ASSI {  677}
   (( resid 82   and name  HB1 ))
   (( resid 82   and name  HG  ))

      2.800     1.000     0.000 peak   677 weight  1.00000E+00 volume  7.10736E+08 ppm1      2.304 ppm2      1.536
 ASSI {  679}
   (( resid 48   and name  HA  ))
   (  resid 48   and name  HD2#)

      4.000     2.200     0.000 peak   679 weight  1.00000E+00 volume  1.13807E+09 ppm1      4.187 ppm2      0.739
 ASSI {  682}
   (( resid 60   and name  HA  ))
   (  resid 74   and name  HD# )

      4.000     2.200     0.000 peak   682 weight  1.00000E+00 volume  5.57488E+08 ppm1      4.131 ppm2      0.948
 ASSI {  684}
   (( resid 73   and name  HA  ))
   (( resid 73   and name  HB1 ))

      4.000     2.200     0.000 peak   684 weight  1.00000E+00 volume  6.45242E+08 ppm1      4.663 ppm2      2.839
 ASSI {  687}
   (( resid 40   and name  HA  ))
   (( resid 40   and name  HB1 ))

      4.000     2.200     0.000 peak   687 weight  1.00000E+00 volume  5.70880E+08 ppm1      4.430 ppm2      2.873
 ASSI {  688}
   (( resid 8    and name  HA  ))
   (( resid 9    and name  HD1 ))

      2.800     1.000     0.000 peak   688 weight  1.00000E+00 volume  1.18348E+09 ppm1      4.577 ppm2      3.782
 ASSI {  689}
   (( resid 8    and name  HA  ))
   (( resid 9    and name  HD2 ))

      2.800     1.000     0.000 peak   689 weight  1.00000E+00 volume  7.95607E+08 ppm1      4.578 ppm2      3.681
 ASSI {  690}
   (( resid 16   and name  HA  ))
   (( resid 19   and name  HB1 ))

      4.000     2.200     0.000 peak   690 weight  1.00000E+00 volume  4.80639E+08 ppm1      4.076 ppm2      2.843
 ASSI {  691}
   (( resid 40   and name  HA  ))
   (( resid 40   and name  HB2 ))

      4.000     2.200     0.000 peak   691 weight  1.00000E+00 volume  4.60017E+08 ppm1      4.431 ppm2      2.764
 ASSI {  692}
   (( resid 64   and name  HN  ))
   (( resid 63   and name  HA  ))

      4.000     2.200     0.000 peak   692 weight  1.00000E+00 volume  4.69003E+08 ppm1      8.290 ppm2      4.258
 ASSI {  693}
   (( resid 93   and name  HN  ))
   (( resid 92   and name  HA  ))

      2.500     0.700     0.000 peak   693 weight  1.00000E+00 volume  1.02181E+09 ppm1      8.528 ppm2      4.400
 ASSI {  694}
   (( resid 106  and name  HN  ))
   (( resid 105  and name  HA  ))

      4.000     2.200     0.000 peak   694 weight  1.00000E+00 volume  5.24167E+08 ppm1      8.496 ppm2      4.385
 ASSI {  697}
   (( resid 11   and name  HN  ))
   (( resid 11   and name  HA  ))

      4.000     2.200     0.000 peak   697 weight  1.00000E+00 volume  3.25132E+08 ppm1      8.411 ppm2      4.311
 ASSI {  698}
   (( resid 53   and name  HN  ))
   (( resid 49   and name  HA  ))

      4.000     2.200     0.000 peak   698 weight  1.00000E+00 volume  2.92854E+08 ppm1      8.154 ppm2      4.313
 ASSI {  699}
   (( resid 54   and name  HN  ))
   (( resid 54   and name  HA  ))

      4.000     2.200     0.000 peak   699 weight  1.00000E+00 volume  3.92834E+08 ppm1      8.406 ppm2      3.764
 ASSI {  701}
   (( resid 75   and name  HN  ))
   (( resid 75   and name  HA  ))

      4.000     2.200     0.000 peak   701 weight  1.00000E+00 volume  3.67429E+08 ppm1      8.700 ppm2      3.670
 ASSI {  702}
   (  resid 41   and name  HD# )
   (  resid 60   and name  HD1#)

      5.000     3.200     0.000 peak   702 weight  1.00000E+00 volume  9.45303E+08 ppm1      7.071 ppm2      0.831
 ASSI {  703}
   (  resid 41   and name  HD# )
   (  resid 60   and name  HD1#)

      5.000     3.200     0.000 peak   703 weight  1.00000E+00 volume  6.08239E+08 ppm1      7.070 ppm2      0.804
 ASSI {  705}
   (( resid 58   and name  HN  ))
   (( resid 55   and name  HA  ))

      4.000     2.200     0.000 peak   705 weight  1.00000E+00 volume  4.33737E+08 ppm1      7.892 ppm2      3.992
 ASSI {  708}
   (( resid 28   and name  HN  ))
   (( resid 28   and name  HA  ))

      2.800     1.000     0.000 peak   708 weight  1.00000E+00 volume  5.85389E+08 ppm1      7.880 ppm2      3.844
 ASSI {  710}
   (( resid 77   and name  HN  ))
   (( resid 77   and name  HA  ))

      2.800     1.000     0.000 peak   710 weight  1.00000E+00 volume  7.70256E+08 ppm1      8.129 ppm2      4.092
 ASSI {  711}
   (( resid 53   and name  HN  ))
   (( resid 52   and name  HA2 ))

      2.800     1.000     0.000 peak   711 weight  1.00000E+00 volume  6.85825E+08 ppm1      8.149 ppm2      3.965
 ASSI {  712}
   (( resid 102  and name  HA  ))
   (( resid 102  and name  HB2 ))

      2.800     1.000     0.000 peak   712 weight  1.00000E+00 volume  1.07900E+09 ppm1      4.487 ppm2      3.979
 ASSI {  713}
   (( resid 91   and name  HA  ))
   (( resid 92   and name  HD2 ))

      2.800     1.000     0.000 peak   713 weight  1.00000E+00 volume  1.60803E+09 ppm1      4.506 ppm2      3.895
 ASSI {  714}
   (( resid 23   and name  HN  ))
   (( resid 22   and name  HB1 ))

      2.800     1.000     0.000 peak   714 weight  1.00000E+00 volume  3.17908E+08 ppm1      8.065 ppm2      3.322
 ASSI {  715}
   (( resid 75   and name  HN  ))
   (  resid 60   and name  HD1#)

      5.000     3.200     0.000 peak   715 weight  1.00000E+00 volume  2.14349E+08 ppm1      8.701 ppm2      0.827
 ASSI {  716}
   (( resid 79   and name  HN  ))
   (  resid 78   and name  HG1#)

      4.000     2.200     0.000 peak   716 weight  1.00000E+00 volume  2.62813E+08 ppm1      8.651 ppm2      0.774
 ASSI {  717}
   (( resid 75   and name  HN  ))
   (  resid 74   and name  HD# )

      5.000     3.200     0.000 peak   717 weight  1.00000E+00 volume  1.69061E+08 ppm1      8.700 ppm2      0.948
 ASSI {  718}
   (( resid 79   and name  HN  ))
   (  resid 78   and name  HG2#)

      4.000     2.200     0.000 peak   718 weight  1.00000E+00 volume  2.27190E+08 ppm1      8.651 ppm2      0.947
 ASSI {  720}
   (( resid 83   and name  HN  ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak   720 weight  1.00000E+00 volume  1.44808E+08 ppm1      8.660 ppm2      0.850
 ASSI {  722}
   (( resid 56   and name  HN  ))
   (( resid 55   and name  HG2 ))

      4.000     2.200     0.000 peak   722 weight  1.00000E+00 volume  1.28960E+08 ppm1      8.400 ppm2      2.481
 ASSI {  723}
   (( resid 56   and name  HN  ))
   (( resid 55   and name  HG1 ))

      4.000     2.200     0.000 peak   723 weight  1.00000E+00 volume  1.36097E+08 ppm1      8.401 ppm2      2.431
 ASSI {  724}
   (( resid 42   and name  HN  ))
   (( resid 41   and name  HB2 ))

      4.000     2.200     0.000 peak   724 weight  1.00000E+00 volume  1.21839E+08 ppm1      8.311 ppm2      3.095
 ASSI {  725}
   (( resid 56   and name  HN  ))
   (( resid 55   and name  HA  ))

      4.000     2.200     0.000 peak   725 weight  1.00000E+00 volume  4.50182E+08 ppm1      8.400 ppm2      3.989
 ASSI {  726}
   (( resid 21   and name  HN  ))
   (( resid 17   and name  HA  ))

      4.000     2.200     0.000 peak   726 weight  1.00000E+00 volume  1.86081E+08 ppm1      8.512 ppm2      3.873
 ASSI {  727}
   (( resid 80   and name  HN  ))
   (( resid 77   and name  HA  ))

      4.000     2.200     0.000 peak   727 weight  1.00000E+00 volume  2.76611E+08 ppm1      8.321 ppm2      4.091
 ASSI {  729}
   (( resid 70   and name  HN  ))
   (( resid 71   and name  HD1 ))

      4.000     2.200     0.000 peak   729 weight  1.00000E+00 volume  2.27223E+08 ppm1      8.214 ppm2      3.966
 ASSI {  730}
   (( resid 38   and name  HN  ))
   (( resid 35   and name  HA  ))

      4.000     2.200     0.000 peak   730 weight  1.00000E+00 volume  2.38597E+08 ppm1      8.233 ppm2      3.929
 ASSI {  731}
   (( resid 79   and name  HN  ))
   (( resid 76   and name  HA  ))

      4.000     2.200     0.000 peak   731 weight  1.00000E+00 volume  3.23825E+08 ppm1      8.652 ppm2      4.074
 ASSI {  732}
   (( resid 75   and name  HN  ))
   (( resid 74   and name  HA  ))

      4.000     2.200     0.000 peak   732 weight  1.00000E+00 volume  1.42147E+08 ppm1      8.701 ppm2      4.022
 ASSI {  734}
   (( resid 102  and name  HN  ))
   (( resid 102  and name  HA  ))

      4.000     2.200     0.000 peak   734 weight  1.00000E+00 volume  1.57602E+08 ppm1      7.657 ppm2      4.486
 ASSI {  735}
   (( resid 84   and name  HN  ))
   (( resid 83   and name  HA  ))

      4.000     2.200     0.000 peak   735 weight  1.00000E+00 volume  1.21447E+08 ppm1      7.489 ppm2      4.381
 ASSI {  736}
   (( resid 67   and name  HN  ))
   (( resid 67   and name  HA  ))

      4.000     2.200     0.000 peak   736 weight  1.00000E+00 volume  2.65505E+08 ppm1      8.145 ppm2      4.352
 ASSI {  737}
   (( resid 61   and name  HN  ))
   (( resid 60   and name  HA  ))

      4.000     2.200     0.000 peak   737 weight  1.00000E+00 volume  6.07101E+08 ppm1      7.999 ppm2      4.136
 ASSI {  738}
   (( resid 48   and name  HN  ))
   (( resid 47   and name  HB1 ))

      4.000     2.200     0.000 peak   738 weight  1.00000E+00 volume  1.53888E+08 ppm1      7.912 ppm2      3.166
 ASSI {  739}
   (( resid 35   and name  HN  ))
   (( resid 36   and name  HG2 ))

      4.000     2.200     0.000 peak   739 weight  1.00000E+00 volume  5.42632E+08 ppm1      7.910 ppm2      1.374
 ASSI {  740}
   (( resid 58   and name  HN  ))
   (( resid 58   and name  HG2 ))

      5.000     3.200     0.000 peak   740 weight  1.00000E+00 volume  1.31895E+08 ppm1      7.894 ppm2      1.241
 ASSI {  741}
   (( resid 48   and name  HN  ))
   (  resid 48   and name  HD1#)

      5.000     3.200     0.000 peak   741 weight  1.00000E+00 volume  2.94284E+08 ppm1      7.908 ppm2      0.873
 ASSI {  742}
   (( resid 59   and name  HN  ))
   (  resid 74   and name  HD# )

      6.000     4.200     0.000 peak   742 weight  1.00000E+00 volume  1.23227E+08 ppm1      7.406 ppm2      0.945
 ASSI {  747}
   (( resid 40   and name  HD2 ))
   (( resid 40   and name  HB1 ))

      5.000     3.200     0.000 peak   747 weight  1.00000E+00 volume  1.12189E+08 ppm1      6.597 ppm2      2.870
 ASSI {  748}
   (( resid 40   and name  HD2 ))
   (( resid 40   and name  HB2 ))

      5.000     3.200     0.000 peak   748 weight  1.00000E+00 volume  1.31880E+08 ppm1      6.596 ppm2      2.763
 ASSI {  749}
   (( resid 51   and name  HN  ))
   (( resid 51   and name  HB1 ))

      4.000     2.200     0.000 peak   749 weight  1.00000E+00 volume  1.79098E+08 ppm1      6.894 ppm2      3.465
 ASSI {  750}
   (( resid 20   and name  HD2 ))
   (( resid 20   and name  HB1 ))

      5.000     3.200     0.000 peak   750 weight  1.00000E+00 volume  1.37330E+08 ppm1      7.123 ppm2      3.255
 ASSI {  751}
   (( resid 20   and name  HD2 ))
   (( resid 20   and name  HB2 ))

      5.000     3.200     0.000 peak   751 weight  1.00000E+00 volume  1.37832E+08 ppm1      7.123 ppm2      3.449
 ASSI {  755}
   (( resid 40   and name  HD2 ))
   (( resid 37   and name  HA  ))

      5.000     3.200     0.000 peak   755 weight  1.00000E+00 volume  1.23611E+08 ppm1      6.596 ppm2      4.171
 ASSI {  757}
   (( resid 19   and name  HA  ))
   (( resid 22   and name  HB1 ))

      4.000     2.200     0.000 peak   757 weight  1.00000E+00 volume  3.30972E+08 ppm1      4.466 ppm2      3.322
 ASSI {  760}
   (( resid 73   and name  HA  ))
   (( resid 73   and name  HB2 ))

      2.800     1.000     0.000 peak   760 weight  1.00000E+00 volume  7.32344E+08 ppm1      4.663 ppm2      2.655
 ASSI {  761}
   (( resid 83   and name  HA  ))
   (( resid 86   and name  HD2 ))

      4.000     2.200     0.000 peak   761 weight  1.00000E+00 volume  3.32590E+08 ppm1      4.380 ppm2      2.752
 ASSI {  764}
   (( resid 73   and name  HA  ))
   (  resid 76   and name  HB# )

      5.000     3.200     0.000 peak   764 weight  1.00000E+00 volume  3.17265E+08 ppm1      4.663 ppm2      1.464
 ASSI {  767}
   (( resid 69   and name  HA  ))
   (  resid 70   and name  HG2#)

      5.000     3.200     0.000 peak   767 weight  1.00000E+00 volume  2.98802E+08 ppm1      4.596 ppm2      0.949
 ASSI {  768}
   (( resid 81   and name  HA  ))
   (  resid 84   and name  HD2#)

      5.000     3.200     0.000 peak   768 weight  1.00000E+00 volume  3.43531E+08 ppm1      4.240 ppm2      0.850
 ASSI {  771}
   (( resid 48   and name  HA  ))
   (( resid 48   and name  HG  ))

      4.000     2.200     0.000 peak   771 weight  1.00000E+00 volume  3.82288E+08 ppm1      4.188 ppm2      1.069
 ASSI {  772}
   (( resid 82   and name  HA  ))
   (  resid 85   and name  HG2#)

      5.000     3.200     0.000 peak   772 weight  1.00000E+00 volume  2.88078E+08 ppm1      3.984 ppm2      0.485
 ASSI {  773}
   (( resid 54   and name  HA  ))
   (( resid 48   and name  HG  ))

      4.000     2.200     0.000 peak   773 weight  1.00000E+00 volume  4.37497E+08 ppm1      3.763 ppm2      1.071
 ASSI {  774}
   (( resid 58   and name  HA  ))
   (( resid 58   and name  HG2 ))

      4.000     2.200     0.000 peak   774 weight  1.00000E+00 volume  3.45715E+08 ppm1      3.639 ppm2      1.240
 ASSI {  776}
   (( resid 16   and name  HA  ))
   (( resid 19   and name  HB2 ))

      4.000     2.200     0.000 peak   776 weight  1.00000E+00 volume  3.93750E+08 ppm1      4.076 ppm2      2.678
 ASSI {  777}
   (( resid 36   and name  HA  ))
   (  resid 39   and name  HB# )

      4.000     2.200     0.000 peak   777 weight  1.00000E+00 volume  2.73038E+08 ppm1      4.133 ppm2      2.969
 ASSI {  778}
   (( resid 86   and name  HD1 ))
   (( resid 86   and name  HD2 ))

      2.500     0.700     0.000 peak   778 weight  1.00000E+00 volume  1.81306E+09 ppm1      2.978 ppm2      2.753
 ASSI {  780}
   (( resid 83   and name  HB2 ))
   (( resid 83   and name  HB1 ))

      2.500     0.700     0.000 peak   780 weight  1.00000E+00 volume  2.25644E+09 ppm1      2.908 ppm2      2.665
 ASSI {  781}
   (( resid 47   and name  HB1 ))
   (  resid 17   and name  HG2#)

      5.000     3.200     0.000 peak   781 weight  1.00000E+00 volume  3.77875E+08 ppm1      3.168 ppm2      0.984
 ASSI {  782}
   (( resid 63   and name  HD1 ))
   (  resid 74   and name  HD# )

      5.000     3.200     0.000 peak   782 weight  1.00000E+00 volume  3.35006E+08 ppm1      3.205 ppm2      0.948
 ASSI {  783}
   (( resid 81   and name  HD2 ))
   (  resid 53   and name  HD2#)

      5.000     3.200     0.000 peak   783 weight  1.00000E+00 volume  3.05193E+08 ppm1      3.228 ppm2      0.880
 ASSI {  785}
   (( resid 47   and name  HB2 ))
   (  resid 17   and name  HG2#)

      5.000     3.200     0.000 peak   785 weight  1.00000E+00 volume  3.30024E+08 ppm1      2.757 ppm2      0.984
 ASSI {  786}
   (( resid 37   and name  HB1 ))
   (  resid 60   and name  HD1#)

      5.000     3.200     0.000 peak   786 weight  1.00000E+00 volume  3.18971E+08 ppm1      2.830 ppm2      0.829
 ASSI {  787}
   (( resid 37   and name  HB1 ))
   (  resid 60   and name  HD1#)

      5.000     3.200     0.000 peak   787 weight  1.00000E+00 volume  2.63854E+08 ppm1      2.829 ppm2      0.801
 ASSI {  788}
   (  resid 79   and name  HG# )
   (  resid 25   and name  HD1#)

      5.000     3.200     0.000 peak   788 weight  1.00000E+00 volume  2.76305E+08 ppm1      2.552 ppm2      0.713
 ASSI {  789}
   (( resid 24   and name  HB2 ))
   (  resid 21   and name  HD1#)

      5.000     3.200     0.000 peak   789 weight  1.00000E+00 volume  1.85995E+08 ppm1      3.032 ppm2      0.721
 ASSI {  790}
   (  resid 25   and name  HB# )
   (  resid 25   and name  HD2#)

      4.000     2.200     0.000 peak   790 weight  1.00000E+00 volume  1.57483E+09 ppm1      1.977 ppm2      0.760
 ASSI {  794}
   (  resid 84   and name  HD1#)
   (  resid 84   and name  HD2#)

      4.000     2.200     0.000 peak   794 weight  1.00000E+00 volume  4.18356E+09 ppm1      0.972 ppm2      0.854
 ASSI {  795}
   (  resid 25   and name  HD1#)
   (  resid 25   and name  HD2#)

      5.000     3.200     0.000 peak   795 weight  1.00000E+00 volume  5.95532E+08 ppm1      1.240 ppm2      0.760
 ASSI {  797}
   (( resid 99   and name  HN  ))
   (  resid 99   and name  HB# )

      4.000     2.200     0.000 peak   797 weight  1.00000E+00 volume  3.86271E+08 ppm1      8.224 ppm2      1.339
 ASSI {  798}
   (( resid 104  and name  HA  ))
   (( resid 105  and name  HD2 ))

      4.000     2.200     0.000 peak   798 weight  1.00000E+00 volume  3.45918E+08 ppm1      4.601 ppm2      3.634
 ASSI {  799}
   (( resid 93   and name  HA  ))
   (( resid 93   and name  HG1 ))

      4.000     2.200     0.000 peak   799 weight  1.00000E+00 volume  1.84048E+08 ppm1      4.162 ppm2      2.253
 ASSI {  800}
   (( resid 43   and name  HA  ))
   (  resid 43   and name  HG# )

      4.000     2.200     0.000 peak   800 weight  1.00000E+00 volume  2.63883E+08 ppm1      4.220 ppm2      2.257
 ASSI {  801}
   (( resid 94   and name  HA  ))
   (( resid 94   and name  HB2 ))

      4.000     2.200     0.000 peak   801 weight  1.00000E+00 volume  5.29744E+08 ppm1      4.609 ppm2      3.065
 ASSI {  802}
   (( resid 94   and name  HA  ))
   (( resid 94   and name  HB1 ))

      2.800     1.000     0.000 peak   802 weight  1.00000E+00 volume  9.42420E+08 ppm1      4.609 ppm2      3.127
 ASSI {  804}
   (( resid 14   and name  HA  ))
   (  resid 17   and name  HG2#)

      5.000     3.200     0.000 peak   804 weight  1.00000E+00 volume  2.24045E+08 ppm1      4.898 ppm2      0.985
 ASSI {  805}
   (( resid 14   and name  HA  ))
   (  resid 17   and name  HD1#)

      5.000     3.200     0.000 peak   805 weight  1.00000E+00 volume  2.39154E+08 ppm1      4.897 ppm2      0.868
 ASSI {  806}
   (( resid 47   and name  HB1 ))
   (  resid 17   and name  HD1#)

      5.000     3.200     0.000 peak   806 weight  1.00000E+00 volume  2.30368E+08 ppm1      3.166 ppm2      0.870
 ASSI {  807}
   (( resid 47   and name  HB2 ))
   (  resid 17   and name  HD1#)

      5.000     3.200     0.000 peak   807 weight  1.00000E+00 volume  2.52072E+08 ppm1      2.757 ppm2      0.868
 ASSI {  809}
   (( resid 92   and name  HD1 ))
   (( resid 92   and name  HG2 ))

      4.000     2.200     0.000 peak   809 weight  1.00000E+00 volume  2.02381E+08 ppm1      3.468 ppm2      1.702
 ASSI {  821}
   (  resid 57   and name  HG1#)
   (( resid 54   and name  HA  ))

      4.000     2.200     0.000 peak   821 weight  1.00000E+00 volume  5.28968E+08 ppm1      1.067 ppm2      3.765
 ASSI {  824}
   (( resid 79   and name  HB1 ))
   (( resid 79   and name  HG2 ))

      2.800     1.000     0.000 peak   824 weight  1.00000E+00 volume  1.51720E+09 ppm1      1.997 ppm2      2.553
 ASSI {  832}
   (( resid 23   and name  HA  ))
   (( resid 26   and name  HB1 ))

      4.000     2.200     0.000 peak   832 weight  1.00000E+00 volume  5.34217E+08 ppm1      4.074 ppm2      2.551
 ASSI {  838}
   (( resid 75   and name  HN  ))
   (( resid 74   and name  HB1 ))

      5.000     3.200     0.000 peak   838 weight  1.00000E+00 volume  8.38710E+07 ppm1      8.701 ppm2      1.610
 ASSI {  848}
   (( resid 75   and name  HN  ))
   (  resid 76   and name  HB# )

      6.000     4.200     0.000 peak   848 weight  1.00000E+00 volume  8.97840E+07 ppm1      8.699 ppm2      1.464
 ASSI {  851}
   (  resid 24   and name  HE# )
   (( resid 24   and name  HA  ))

      6.000     4.200     0.000 peak   851 weight  1.00000E+00 volume  9.28821E+07 ppm1      7.141 ppm2      4.227
 ASSI {  854}
   (( resid 92   and name  HA  ))
   (( resid 92   and name  HD1 ))

      4.000     2.200     0.000 peak   854 weight  1.00000E+00 volume  2.47736E+08 ppm1      4.398 ppm2      3.468
 ASSI {  858}
   (( resid 13   and name  HN  ))
   (  resid 12   and name  HG2#)

      5.000     3.200     0.000 peak   858 weight  1.00000E+00 volume  8.40069E+07 ppm1      8.601 ppm2      1.203
 ASSI {  862}
   (( resid 56   and name  HN  ))
   (  resid 57   and name  HG1#)

      5.000     3.200     0.000 peak   862 weight  1.00000E+00 volume  1.06794E+08 ppm1      8.408 ppm2      1.072
 ASSI {  864}
   (( resid 54   and name  HN  ))
   (  resid 57   and name  HG1#)

      5.000     3.200     0.000 peak   864 weight  1.00000E+00 volume  1.04618E+08 ppm1      8.492 ppm2      1.075
 ASSI {  867}
   (( resid 79   and name  HN  ))
   (  resid 25   and name  HD1#)

      5.000     3.200     0.000 peak   867 weight  1.00000E+00 volume  1.55154E+08 ppm1      8.651 ppm2      0.712
 ASSI {  870}
   (( resid 92   and name  HA  ))
   (( resid 92   and name  HD2 ))

      4.000     2.200     0.000 peak   870 weight  1.00000E+00 volume  5.13052E+08 ppm1      4.396 ppm2      3.899
 ASSI {  873}
   (( resid 92   and name  HD2 ))
   (  resid 91   and name  HG1#)

      5.000     3.200     0.000 peak   873 weight  1.00000E+00 volume  4.48988E+08 ppm1      3.897 ppm2      1.020
 ASSI {  877}
   (( resid 57   and name  HB  ))
   (( resid 57   and name  HA  ))

      4.000     2.200     0.000 peak   877 weight  1.00000E+00 volume  5.14571E+08 ppm1      2.115 ppm2      3.502
 ASSI {  879}
   (( resid 105  and name  HD1 ))
   (( resid 105  and name  HD2 ))

      2.500     0.700     0.000 peak   879 weight  1.00000E+00 volume  4.34202E+09 ppm1      3.786 ppm2      3.632
 ASSI {  880}
   (( resid 104  and name  HA  ))
   (( resid 105  and name  HD1 ))

      4.000     2.200     0.000 peak   880 weight  1.00000E+00 volume  6.49466E+08 ppm1      4.601 ppm2      3.791
 ASSI {  882}
   (( resid 83   and name  HN  ))
   (  resid 22   and name  HD# )

      5.000     3.200     0.000 peak   882 weight  1.00000E+00 volume  1.65868E+08 ppm1      8.662 ppm2      6.958
 ASSI {  883}
   (( resid 83   and name  HN  ))
   (  resid 22   and name  HE# )

      5.000     3.200     0.000 peak   883 weight  1.00000E+00 volume  2.18315E+08 ppm1      8.660 ppm2      6.783
 ASSI {  886}
   (( resid 25   and name  HN  ))
   (  resid 24   and name  HD# )

      4.000     2.200     0.000 peak   886 weight  1.00000E+00 volume  3.15853E+08 ppm1      8.108 ppm2      6.963
 ASSI {  887}
   (( resid 23   and name  HN  ))
   (  resid 22   and name  HD# )

      4.000     2.200     0.000 peak   887 weight  1.00000E+00 volume  3.69493E+08 ppm1      8.064 ppm2      6.959
 ASSI {  888}
   (( resid 24   and name  HN  ))
   (  resid 24   and name  HD# )

      4.000     2.200     0.000 peak   888 weight  1.00000E+00 volume  4.02014E+08 ppm1      8.035 ppm2      6.964
 ASSI {  890}
   (( resid 100  and name  HD2 ))
   (  resid 99   and name  HB# )

      5.000     3.200     0.000 peak   890 weight  1.00000E+00 volume  3.11903E+08 ppm1      3.710 ppm2      1.340
 ASSI {  891}
   (( resid 100  and name  HB1 ))
   (( resid 100  and name  HD1 ))

      4.000     2.200     0.000 peak   891 weight  1.00000E+00 volume  2.18034E+08 ppm1      2.269 ppm2      3.602
 ASSI {  892}
   (  resid 100  and name  HG# )
   (( resid 100  and name  HD1 ))

      4.000     2.200     0.000 peak   892 weight  1.00000E+00 volume  5.76308E+08 ppm1      1.925 ppm2      3.601
 ASSI {  893}
   (( resid 100  and name  HB2 ))
   (( resid 100  and name  HD1 ))

      4.000     2.200     0.000 peak   893 weight  1.00000E+00 volume  7.86876E+08 ppm1      2.001 ppm2      3.599
 ASSI {  897}
   (( resid 105  and name  HA  ))
   (( resid 105  and name  HD2 ))

      4.000     2.200     0.000 peak   897 weight  1.00000E+00 volume  3.30833E+08 ppm1      4.393 ppm2      3.633
 ASSI {  901}
   (( resid 103  and name  HA  ))
   (( resid 105  and name  HD2 ))

      4.000     2.200     0.000 peak   901 weight  1.00000E+00 volume  2.10098E+08 ppm1      4.468 ppm2      3.637
 ASSI {  903}
   (( resid 46   and name  HB1 ))
   (( resid 46   and name  HA  ))

      2.800     1.000     0.000 peak   903 weight  1.00000E+00 volume  1.16822E+09 ppm1      2.368 ppm2      4.410
 ASSI {  904}
   (( resid 46   and name  HB2 ))
   (( resid 46   and name  HA  ))

      4.000     2.200     0.000 peak   904 weight  1.00000E+00 volume  5.37776E+08 ppm1      2.109 ppm2      4.409
 ASSI {  906}
   (  resid 46   and name  HG# )
   (( resid 46   and name  HA  ))

      2.800     1.000     0.000 peak   906 weight  1.00000E+00 volume  8.34551E+08 ppm1      1.900 ppm2      4.401
 ASSI {  907}
   (  resid 46   and name  HG# )
   (( resid 46   and name  HB1 ))

      2.800     1.000     0.000 peak   907 weight  1.00000E+00 volume  1.44843E+09 ppm1      1.909 ppm2      2.372
 ASSI {  908}
   (( resid 46   and name  HB2 ))
   (( resid 46   and name  HB1 ))

      2.800     1.000     0.000 peak   908 weight  1.00000E+00 volume  1.02112E+09 ppm1      2.112 ppm2      2.368
 ASSI {  915}
   (( resid 92   and name  HD1 ))
   (  resid 91   and name  HG2#)

      4.000     2.200     0.000 peak   915 weight  1.00000E+00 volume  5.84726E+08 ppm1      3.468 ppm2      0.976
 ASSI {  916}
   (( resid 17   and name  HA  ))
   (  resid 17   and name  HG2#)

      4.000     2.200     0.000 peak   916 weight  1.00000E+00 volume  9.37710E+08 ppm1      3.866 ppm2      0.984
 ASSI {  917}
   (( resid 62   and name  HN  ))
   (( resid 58   and name  HA  ))

      5.000     3.200     0.000 peak   917 weight  1.00000E+00 volume  9.64039E+07 ppm1      7.700 ppm2      3.644
 ASSI {  918}
   (( resid 29   and name  HN  ))
   (( resid 29   and name  HA  ))

      4.000     2.200     0.000 peak   918 weight  1.00000E+00 volume  3.03953E+08 ppm1      8.090 ppm2      4.226
 ASSI {  920}
   (( resid 52   and name  HN  ))
   (( resid 52   and name  HA1 ))

      2.800     1.000     0.000 peak   920 weight  1.00000E+00 volume  5.48843E+08 ppm1      7.949 ppm2      4.248
 ASSI {  926}
   (( resid 41   and name  HB1 ))
   (( resid 38   and name  HA  ))

      4.000     2.200     0.000 peak   926 weight  1.00000E+00 volume  2.83376E+08 ppm1      2.833 ppm2      3.870
 ASSI {  933}
   (( resid 61   and name  HN  ))
   (  resid 41   and name  HD# )

      5.000     3.200     0.000 peak   933 weight  1.00000E+00 volume  2.07211E+08 ppm1      8.006 ppm2      7.071
 ASSI {  934}
   (( resid 20   and name  HE1 ))
   (  resid 41   and name  HD# )

      5.000     3.200     0.000 peak   934 weight  1.00000E+00 volume  1.18765E+08 ppm1      8.228 ppm2      7.071
 ASSI {  935}
   (( resid 38   and name  HN  ))
   (  resid 37   and name  HD# )

      5.000     3.200     0.000 peak   935 weight  1.00000E+00 volume  1.23901E+08 ppm1      8.232 ppm2      6.892
 ASSI {  943}
   (( resid 50   and name  HN  ))
   (( resid 51   and name  HN  ))

      4.000     2.200     0.000 peak   943 weight  1.00000E+00 volume  2.21776E+08 ppm1      7.720 ppm2      6.897
 ASSI {  944}
   (  resid 51   and name  HD# )
   (( resid 51   and name  HN  ))

      4.000     2.200     0.000 peak   944 weight  1.00000E+00 volume  2.87257E+08 ppm1      7.262 ppm2      6.896
 ASSI {  945}
   (( resid 52   and name  HN  ))
   (( resid 51   and name  HN  ))

      2.800     1.000     0.000 peak   945 weight  1.00000E+00 volume  3.77414E+08 ppm1      7.949 ppm2      6.896
 ASSI {  946}
   (( resid 33   and name  HN  ))
   (  resid 37   and name  HD# )

      5.000     3.200     0.000 peak   946 weight  1.00000E+00 volume  2.72572E+08 ppm1      7.995 ppm2      6.892
 ASSI {  950}
   (( resid 107  and name  HN  ))
   (( resid 107  and name  HA  ))

      4.000     2.200     0.000 peak   950 weight  1.00000E+00 volume  1.47095E+08 ppm1      8.481 ppm2      4.320
 ASSI {  952}
   (( resid 97   and name  HA  ))
   (  resid 97   and name  HB# )

      2.800     1.000     0.000 peak   952 weight  1.00000E+00 volume  1.20203E+09 ppm1      4.264 ppm2      1.341
 ASSI {  954}
   (( resid 48   and name  HA  ))
   (  resid 18   and name  HD# )

      5.000     3.200     0.000 peak   954 weight  1.00000E+00 volume  1.62126E+08 ppm1      4.187 ppm2      0.612
 ASSI {  955}
   (( resid 48   and name  HN  ))
   (( resid 47   and name  HB2 ))

      4.000     2.200     0.000 peak   955 weight  1.00000E+00 volume  1.75133E+08 ppm1      7.909 ppm2      2.750
 ASSI {  956}
   (( resid 48   and name  HN  ))
   (( resid 48   and name  HA  ))

      4.000     2.200     0.000 peak   956 weight  1.00000E+00 volume  3.85498E+08 ppm1      7.909 ppm2      4.185
 ASSI {  957}
   (( resid 48   and name  HN  ))
   (  resid 48   and name  HD2#)

      5.000     3.200     0.000 peak   957 weight  1.00000E+00 volume  2.11592E+08 ppm1      7.909 ppm2      0.739
 ASSI {  958}
   (( resid 48   and name  HN  ))
   (( resid 48   and name  HB1 ))

      4.000     2.200     0.000 peak   958 weight  1.00000E+00 volume  1.75453E+08 ppm1      7.908 ppm2      1.804
 ASSI {  959}
   (( resid 85   and name  HN  ))
   (( resid 85   and name  HG12))

      4.000     2.200     0.000 peak   959 weight  1.00000E+00 volume  3.09462E+08 ppm1      8.046 ppm2      0.734
 ASSI {  960}
   (( resid 85   and name  HN  ))
   (( resid 85   and name  HG12))

      4.000     2.200     0.000 peak   960 weight  1.00000E+00 volume  3.01243E+08 ppm1      8.046 ppm2      0.752
 ASSI {  963}
   (( resid 48   and name  HB1 ))
   (( resid 48   and name  HG  ))

      4.000     2.200     0.000 peak   963 weight  1.00000E+00 volume  3.59954E+08 ppm1      1.807 ppm2      1.071
 ASSI {  966}
   (( resid 54   and name  HN  ))
   (( resid 53   and name  HA  ))

      4.000     2.200     0.000 peak   966 weight  1.00000E+00 volume  1.13427E+08 ppm1      8.485 ppm2      4.529
 ASSI {  967}
   (( resid 31   and name  HA  ))
   (( resid 31   and name  HB1 ))

      2.800     1.000     0.000 peak   967 weight  1.00000E+00 volume  7.11851E+08 ppm1      4.527 ppm2      2.746
 ASSI {  968}
   (( resid 31   and name  HA  ))
   (( resid 31   and name  HB2 ))

      4.000     2.200     0.000 peak   968 weight  1.00000E+00 volume  4.97121E+08 ppm1      4.529 ppm2      2.707
 ASSI {  974}
   (( resid 81   and name  HN  ))
   (( resid 80   and name  HA1 ))

      4.000     2.200     0.000 peak   974 weight  1.00000E+00 volume  2.95251E+08 ppm1      7.710 ppm2      3.908
 ASSI {  977}
   (( resid 53   and name  HN  ))
   (( resid 53   and name  HA  ))

      4.000     2.200     0.000 peak   977 weight  1.00000E+00 volume  2.69058E+08 ppm1      8.151 ppm2      4.508
 ASSI {  978}
   (( resid 102  and name  HN  ))
   (( resid 93   and name  HA  ))

      4.000     2.200     0.000 peak   978 weight  1.00000E+00 volume  1.77568E+08 ppm1      7.656 ppm2      4.164
 ASSI {  979}
   (( resid 102  and name  HN  ))
   (( resid 102  and name  HB1 ))

      4.000     2.200     0.000 peak   979 weight  1.00000E+00 volume  2.40219E+08 ppm1      7.657 ppm2      4.108
 ASSI {  980}
   (( resid 32   and name  HA  ))
   (( resid 32   and name  HB1 ))

      2.800     1.000     0.000 peak   980 weight  1.00000E+00 volume  1.29753E+09 ppm1      4.313 ppm2      3.980
 ASSI {  981}
   (( resid 102  and name  HB1 ))
   (( resid 102  and name  HB2 ))

      2.500     0.700     0.000 peak   981 weight  1.00000E+00 volume  3.22703E+09 ppm1      4.096 ppm2      3.984
 ASSI {  983}
   (( resid 52   and name  HA1 ))
   (( resid 52   and name  HA2 ))

      2.800     1.000     0.000 peak   983 weight  1.00000E+00 volume  1.75771E+09 ppm1      4.257 ppm2      3.949
 ASSI {  984}
   (( resid 75   and name  HG2 ))
   (  resid 25   and name  HD2#)

      4.000     2.200     0.000 peak   984 weight  1.00000E+00 volume  4.76052E+08 ppm1      1.406 ppm2      0.760
 ASSI {  985}
   (( resid 77   and name  HN  ))
   (  resid 78   and name  HG2#)

      4.000     2.200     0.000 peak   985 weight  1.00000E+00 volume  3.85673E+08 ppm1      8.128 ppm2      0.946
 ASSI {  986}
   (  resid 16   and name  HG# )
   (( resid 16   and name  HA  ))

      2.800     1.000     0.000 peak   986 weight  1.00000E+00 volume  9.86801E+08 ppm1      2.261 ppm2      4.079
 ASSI {  987}
   (( resid 16   and name  HB1 ))
   (( resid 16   and name  HA  ))

      2.800     1.000     0.000 peak   987 weight  1.00000E+00 volume  1.37386E+09 ppm1      2.085 ppm2      4.079
 ASSI {  988}
   (( resid 16   and name  HB2 ))
   (( resid 16   and name  HA  ))

      2.800     1.000     0.000 peak   988 weight  1.00000E+00 volume  1.40713E+09 ppm1      2.011 ppm2      4.078
 ASSI {  994}
   (( resid 81   and name  HN  ))
   (  resid 78   and name  HG2#)

      5.000     3.200     0.000 peak   994 weight  1.00000E+00 volume  1.97153E+08 ppm1      7.713 ppm2      0.943
 ASSI {  997}
   (  resid 22   and name  HE# )
   (( resid 22   and name  HB2 ))

      5.000     3.200     0.000 peak   997 weight  1.00000E+00 volume  1.49053E+08 ppm1      6.779 ppm2      3.004
 ASSI {  998}
   (  resid 22   and name  HE# )
   (( resid 83   and name  HB2 ))

      5.000     3.200     0.000 peak   998 weight  1.00000E+00 volume  1.43553E+08 ppm1      6.780 ppm2      2.913
 ASSI {  999}
   (( resid 59   and name  HN  ))
   (( resid 59   and name  HE2 ))

      5.000     3.200     0.000 peak   999 weight  1.00000E+00 volume  4.32242E+07 ppm1      7.405 ppm2      2.936
 ASSI { 1003}
   (( resid 71   and name  HA  ))
   (  resid 71   and name  HB# )

      2.800     1.000     0.000 peak  1003 weight  1.00000E+00 volume  8.89009E+08 ppm1      4.431 ppm2      2.386
 ASSI { 1005}
   (( resid 40   and name  HE1 ))
   (( resid 40   and name  HB1 ))

      5.000     3.200     0.000 peak  1005 weight  1.00000E+00 volume  1.07617E+08 ppm1      7.796 ppm2      2.870
 ASSI { 1006}
   (( resid 40   and name  HE1 ))
   (( resid 40   and name  HB2 ))

      5.000     3.200     0.000 peak  1006 weight  1.00000E+00 volume  1.16061E+08 ppm1      7.798 ppm2      2.760
 ASSI { 1010}
   (( resid 40   and name  HE1 ))
   (( resid 40   and name  HD2 ))

      5.000     3.200     0.000 peak  1010 weight  1.00000E+00 volume  8.65525E+07 ppm1      7.799 ppm2      6.600
 ASSI { 1011}
   (( resid 40   and name  HE1 ))
   (( resid 39   and name  HD2 ))

      5.000     3.200     0.000 peak  1011 weight  1.00000E+00 volume  6.70300E+07 ppm1      7.801 ppm2      6.735
 ASSI { 1012}
   (( resid 39   and name  HE1 ))
   (( resid 39   and name  HD2 ))

      5.000     3.200     0.000 peak  1012 weight  1.00000E+00 volume  9.31620E+07 ppm1      7.837 ppm2      6.736
 ASSI { 1014}
   (( resid 39   and name  HD2 ))
   (  resid 39   and name  HB# )

      4.000     2.200     0.000 peak  1014 weight  1.00000E+00 volume  2.06142E+08 ppm1      6.732 ppm2      2.969
 ASSI { 1015}
   (( resid 10   and name  HA  ))
   (  resid 10   and name  HB# )

      4.000     2.200     0.000 peak  1015 weight  1.00000E+00 volume  5.56561E+08 ppm1      4.649 ppm2      3.135
 ASSI { 1016}
   (( resid 63   and name  HA  ))
   (  resid 63   and name  HD# )

      4.000     2.200     0.000 peak  1016 weight  1.00000E+00 volume  4.55397E+08 ppm1      4.254 ppm2      3.208
 ASSI { 1018}
   (( resid 39   and name  HD2 ))
   (( resid 39   and name  HA  ))

      5.000     3.200     0.000 peak  1018 weight  1.00000E+00 volume  1.03871E+08 ppm1      6.733 ppm2      4.427
 ASSI { 1021}
   (( resid 39   and name  HE1 ))
   (  resid 39   and name  HB# )

      5.000     3.200     0.000 peak  1021 weight  1.00000E+00 volume  7.98714E+07 ppm1      7.838 ppm2      2.967
 ASSI { 1023}
   (( resid 17   and name  HN  ))
   (( resid 13   and name  HB1 ))

      5.000     3.200     0.000 peak  1023 weight  1.00000E+00 volume  1.16061E+08 ppm1      7.778 ppm2      2.760
 ASSI { 1024}
   (( resid 17   and name  HN  ))
   (( resid 13   and name  HB2 ))

      5.000     3.200     0.000 peak  1024 weight  1.00000E+00 volume  1.07617E+08 ppm1      7.778 ppm2      2.869
 ASSI { 1025}
   (( resid 40   and name  HD2 ))
   (( resid 40   and name  HA  ))

      5.000     3.200     0.000 peak  1025 weight  1.00000E+00 volume  8.26260E+07 ppm1      6.595 ppm2      4.431
 ASSI { 1026}
   (( resid 73   and name  HN  ))
   (( resid 73   and name  HB1 ))

      5.000     3.200     0.000 peak  1026 weight  1.00000E+00 volume  1.34969E+08 ppm1      8.301 ppm2      2.837
 ASSI { 1027}
   (( resid 73   and name  HB1 ))
   (( resid 73   and name  HB2 ))

      2.500     0.700     0.000 peak  1027 weight  1.00000E+00 volume  3.17015E+09 ppm1      2.842 ppm2      2.657
 ASSI { 1028}
   (( resid 40   and name  HB1 ))
   (( resid 40   and name  HB2 ))

      2.500     0.700     0.000 peak  1028 weight  1.00000E+00 volume  5.26559E+09 ppm1      2.863 ppm2      2.761
 ASSI { 1031}
   (( resid 59   and name  HA  ))
   (( resid 59   and name  HE2 ))

      4.000     2.200     0.000 peak  1031 weight  1.00000E+00 volume  5.12334E+08 ppm1      4.003 ppm2      2.932
 ASSI { 1033}
   (( resid 67   and name  HA  ))
   (  resid 67   and name  HG# )

      4.000     2.200     0.000 peak  1033 weight  1.00000E+00 volume  3.48325E+08 ppm1      4.351 ppm2      2.343
 ASSI { 1037}
   (( resid 43   and name  HN  ))
   (  resid 43   and name  HG# )

      2.800     1.000     0.000 peak  1037 weight  1.00000E+00 volume  2.28164E+08 ppm1      8.030 ppm2      2.257
 ASSI { 1038}
   (( resid 43   and name  HN  ))
   (( resid 43   and name  HA  ))

      2.800     1.000     0.000 peak  1038 weight  1.00000E+00 volume  5.83871E+08 ppm1      8.012 ppm2      4.221
 ASSI { 1039}
   (( resid 93   and name  HA  ))
   (( resid 93   and name  HG2 ))

      4.000     2.200     0.000 peak  1039 weight  1.00000E+00 volume  1.58692E+08 ppm1      4.162 ppm2      2.206
 ASSI { 1042}
   (( resid 93   and name  HB2 ))
   (( resid 93   and name  HA  ))

      2.800     1.000     0.000 peak  1042 weight  1.00000E+00 volume  9.75606E+08 ppm1      2.011 ppm2      4.166
 ASSI { 1044}
   (( resid 93   and name  HB1 ))
   (( resid 93   and name  HA  ))

      2.800     1.000     0.000 peak  1044 weight  1.00000E+00 volume  7.04536E+08 ppm1      1.898 ppm2      4.164
! ASSI { 1047}
!   (( resid 56   and name  HN  ))
!   (( resid 54   and name  HG2 ))
!
!      5.000     3.200     0.000 peak  1047 weight  1.00000E+00 volume  7.10060E+07 ppm1      8.405 ppm2      2.120
 ASSI { 1048}
   (( resid 11   and name  HA  ))
   (( resid 11   and name  HG2 ))

      4.000     2.200     0.000 peak  1048 weight  1.00000E+00 volume  2.74332E+08 ppm1      4.311 ppm2      2.349
 ASSI { 1049}
   (( resid 11   and name  HN  ))
   (( resid 11   and name  HG2 ))

      5.000     3.200     0.000 peak  1049 weight  1.00000E+00 volume  8.82300E+07 ppm1      8.404 ppm2      2.355
 ASSI { 1050}
   (( resid 11   and name  HN  ))
   (( resid 11   and name  HG2 ))

      5.000     3.200     0.000 peak  1050 weight  1.00000E+00 volume  6.57385E+07 ppm1      8.403 ppm2      2.204
 ASSI { 1052}
   (( resid 89   and name  HA  ))
   (( resid 89   and name  HB2 ))

      4.000     2.200     0.000 peak  1052 weight  1.00000E+00 volume  2.60809E+08 ppm1      4.405 ppm2      2.191
 ASSI { 1053}
   (( resid 63   and name  HA  ))
   (( resid 63   and name  HB1 ))

      2.800     1.000     0.000 peak  1053 weight  1.00000E+00 volume  2.51848E+08 ppm1      4.251 ppm2      1.821
 ASSI { 1057}
   (( resid 82   and name  HB1 ))
   (  resid 82   and name  HD1#)

      4.000     2.200     0.000 peak  1057 weight  1.00000E+00 volume  5.20619E+08 ppm1      2.305 ppm2      0.894
 ASSI { 1058}
   (( resid 82   and name  HB1 ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak  1058 weight  1.00000E+00 volume  3.89526E+08 ppm1      2.304 ppm2      0.852
 ASSI { 1060}
   (( resid 82   and name  HB2 ))
   (( resid 82   and name  HN  ))

      2.800     1.000     0.000 peak  1060 weight  1.00000E+00 volume  6.30986E+08 ppm1      1.913 ppm2      8.558
 ASSI { 1063}
   (( resid 89   and name  HA  ))
   (  resid 91   and name  HG1#)

      5.000     3.200     0.000 peak  1063 weight  1.00000E+00 volume  2.10740E+08 ppm1      4.400 ppm2      1.020
 ASSI { 1064}
   (( resid 84   and name  HN  ))
   (( resid 81   and name  HA  ))

      4.000     2.200     0.000 peak  1064 weight  1.00000E+00 volume  2.73656E+08 ppm1      7.492 ppm2      4.240
 ASSI { 1066}
   (( resid 81   and name  HA  ))
   (  resid 91   and name  HG1#)

      5.000     3.200     0.000 peak  1066 weight  1.00000E+00 volume  2.02870E+08 ppm1      4.240 ppm2      1.019
 ASSI { 1067}
   (( resid 85   and name  HA  ))
   (  resid 84   and name  HD1#)

      5.000     3.200     0.000 peak  1067 weight  1.00000E+00 volume  3.45188E+08 ppm1      3.629 ppm2      0.977
 ASSI { 1068}
   (( resid 85   and name  HA  ))
   (  resid 91   and name  HG1#)

      5.000     3.200     0.000 peak  1068 weight  1.00000E+00 volume  1.75050E+08 ppm1      3.631 ppm2      1.021
 ASSI { 1071}
   (( resid 81   and name  HD1 ))
   (  resid 91   and name  HG1#)

      5.000     3.200     0.000 peak  1071 weight  1.00000E+00 volume  2.03586E+08 ppm1      3.382 ppm2      1.021
 ASSI { 1072}
   (( resid 81   and name  HD1 ))
   (  resid 91   and name  HG2#)

      5.000     3.200     0.000 peak  1072 weight  1.00000E+00 volume  1.92513E+08 ppm1      3.382 ppm2      0.979
 ASSI { 1074}
   (( resid 22   and name  HB1 ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak  1074 weight  1.00000E+00 volume  1.79712E+08 ppm1      3.320 ppm2      0.893
 ASSI { 1075}
   (( resid 81   and name  HD1 ))
   (  resid 53   and name  HD2#)

      5.000     3.200     0.000 peak  1075 weight  1.00000E+00 volume  1.78219E+08 ppm1      3.381 ppm2      0.881
 ASSI { 1076}
   (( resid 81   and name  HD2 ))
   (  resid 91   and name  HG1#)

      5.000     3.200     0.000 peak  1076 weight  1.00000E+00 volume  1.94132E+08 ppm1      3.225 ppm2      1.020
 ASSI { 1077}
   (( resid 22   and name  HB2 ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak  1077 weight  1.00000E+00 volume  1.83304E+08 ppm1      3.008 ppm2      0.852
 ASSI { 1078}
   (( resid 22   and name  HB2 ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak  1078 weight  1.00000E+00 volume  3.33344E+08 ppm1      3.011 ppm2      0.895
 ASSI { 1081}
  (( resid 37   and name  HB2 ))
   ( resid 61   and name  HG2#)   

      5.000     3.200     0.000 peak  1081 weight  1.00000E+00 volume  2.08289E+08 ppm1      2.757 ppm2      0.827
 ASSI { 1085}
   (( resid 17   and name  HG12))
   (  resid 17   and name  HG2#)

      4.000     2.200     0.000 peak  1085 weight  1.00000E+00 volume  9.11614E+08 ppm1      1.627 ppm2      0.984
 ASSI { 1086}
   (( resid 26   and name  HB1 ))
   (  resid 25   and name  HD2#)

      6.000     4.200     0.000 peak  1086 weight  1.00000E+00 volume  1.50416E+08 ppm1      2.552 ppm2      0.766
 ASSI { 1096}
   (( resid 75   and name  HN  ))
   (  resid 75   and name  HG# )

      4.000     2.200     0.000 peak  1096 weight  1.00000E+00 volume  1.06361E+08 ppm1      8.701 ppm2      1.405
 ASSI { 1098}
   (( resid 59   and name  HE2 ))
   (( resid 59   and name  HG2 ))

      4.000     2.200     0.000 peak  1098 weight  1.00000E+00 volume  6.05314E+08 ppm1      2.934 ppm2      1.418
 ASSI { 1100}
   (( resid 36   and name  HA  ))
   (( resid 36   and name  HG2 ))

      4.000     2.200     0.000 peak  1100 weight  1.00000E+00 volume  2.81440E+08 ppm1      4.132 ppm2      1.283
 ASSI { 1101}
   (  resid 36   and name  HE# )
   (( resid 36   and name  HG2 ))

      4.000     2.200     0.000 peak  1101 weight  1.00000E+00 volume  2.35844E+08 ppm1      2.904 ppm2      1.282
 ASSI { 1102}
   (( resid 36   and name  HN  ))
   (( resid 36   and name  HG2 ))

      4.000     2.200     0.000 peak  1102 weight  1.00000E+00 volume  1.10830E+08 ppm1      7.808 ppm2      1.283
 ASSI { 1103}
   (  resid 36   and name  HE# )
   (( resid 36   and name  HG2 ))

      4.000     2.200     0.000 peak  1103 weight  1.00000E+00 volume  3.51933E+08 ppm1      2.904 ppm2      1.380
 ASSI { 1105}
   (( resid 84   and name  HN  ))
   (( resid 84   and name  HB1 ))

      5.000     3.200     0.000 peak  1105 weight  1.00000E+00 volume  6.49306E+07 ppm1      7.488 ppm2      1.855
 ASSI { 1107}
   (( resid 84   and name  HB2 ))
   (( resid 84   and name  HN  ))

      2.800     1.000     0.000 peak  1107 weight  1.00000E+00 volume  9.03092E+07 ppm1      2.035 ppm2      7.490
 ASSI { 1110}
   (( resid 89   and name  HG2 ))
   (  resid 84   and name  HD2#)

      5.000     3.200     0.000 peak  1110 weight  1.00000E+00 volume  3.03973E+08 ppm1      2.363 ppm2      0.853
 ASSI { 1112}
   (( resid 36   and name  HA  ))
   (  resid 35   and name  HG2#)

      5.000     3.200     0.000 peak  1112 weight  1.00000E+00 volume  3.08269E+08 ppm1      4.132 ppm2      0.905
 ASSI { 1115}
   (( resid 69   and name  HB2 ))
   (  resid 70   and name  HG# )

      5.000     3.200     0.000 peak  1115 weight  1.00000E+00 volume  2.42963E+08 ppm1      2.609 ppm2      0.950
 ASSI { 1118}
   (( resid 35   and name  HB  ))
   (( resid 35   and name  HA  ))

      2.800     1.000     0.000 peak  1118 weight  1.00000E+00 volume  9.98750E+08 ppm1      2.102 ppm2      3.928
 ASSI { 1120}
   (( resid 38   and name  HG2 ))
   (( resid 38   and name  HA  ))

      4.000     2.200     0.000 peak  1120 weight  1.00000E+00 volume  3.56369E+08 ppm1      2.234 ppm2      3.869
 ASSI { 1121}
   (( resid 38   and name  HG2 ))
   (( resid 38   and name  HA  ))

      2.800     1.000     0.000 peak  1121 weight  1.00000E+00 volume  6.77537E+08 ppm1      2.107 ppm2      3.869
 ASSI { 1122}
   (  resid 38   and name  HB# )
   (( resid 38   and name  HA  ))

      2.800     1.000     0.000 peak  1122 weight  1.00000E+00 volume  1.57167E+09 ppm1      1.998 ppm2      3.871
 ASSI { 1125}
   (( resid 38   and name  HG2 ))
   (  resid 38   and name  HB# )

      4.000     2.200     0.000 peak  1125 weight  1.00000E+00 volume  4.12190E+08 ppm1      2.107 ppm2      1.992
 ASSI { 1126}
   (( resid 41   and name  HB2 ))
   (  resid 57   and name  HG2#)

      5.000     3.200     0.000 peak  1126 weight  1.00000E+00 volume  1.90637E+08 ppm1      3.085 ppm2      0.835
 ASSI { 1128}
   (( resid 41   and name  HB2 ))
   (  resid 17   and name  HD1#)

      5.000     3.200     0.000 peak  1128 weight  1.00000E+00 volume  1.65783E+08 ppm1      3.084 ppm2      0.873
 ASSI { 1130}
   (( resid 57   and name  HA  ))
   (( resid 60   and name  HG  ))

      4.000     2.200     0.000 peak  1130 weight  1.00000E+00 volume  1.90352E+08 ppm1      3.504 ppm2      1.508
 ASSI { 1131}
   (( resid 49   and name  HN  ))
   (  resid 48   and name  HD1#)

      6.000     4.200     0.000 peak  1131 weight  1.00000E+00 volume  5.43554E+07 ppm1      8.826 ppm2      0.875
 ASSI { 1133}
   (( resid 63   and name  HN  ))
   (( resid 62   and name  HG2 ))

      4.000     2.200     0.000 peak  1133 weight  1.00000E+00 volume  2.77877E+08 ppm1      8.033 ppm2      1.408
 ASSI { 1134}
   (( resid 59   and name  HN  ))
   (  resid 60   and name  HD1#)

      6.000     4.200     0.000 peak  1134 weight  1.00000E+00 volume  7.14872E+07 ppm1      7.403 ppm2      0.830
 ASSI { 1135}
   (( resid 59   and name  HN  ))
   (  resid 60   and name  HD1#)

      6.000     4.200     0.000 peak  1135 weight  1.00000E+00 volume  6.25787E+07 ppm1      7.408 ppm2      0.801
 ASSI { 1138}
   (  resid 63   and name  HD# )
   (  resid 60   and name  HD1#)

      5.000     3.200     0.000 peak  1138 weight  1.00000E+00 volume  1.97877E+08 ppm1      3.202 ppm2      0.829
 ASSI { 1139}
   (( resid 24   and name  HB1 ))
   (  resid 21   and name  HD1#)

      5.000     3.200     0.000 peak  1139 weight  1.00000E+00 volume  1.81527E+08 ppm1      3.134 ppm2      0.723
 ASSI { 1142}
   (  resid 79   and name  HG# )
   (  resid 82   and name  HD1#)

      6.000     4.200     0.000 peak  1142 weight  1.00000E+00 volume  1.18654E+08 ppm1      2.552 ppm2      0.894
 ASSI { 1143}
   (( resid 83   and name  HB1 ))
   (  resid 84   and name  HD2#)

      6.000     4.200     0.000 peak  1143 weight  1.00000E+00 volume  1.35961E+08 ppm1      2.679 ppm2      0.856
 ASSI { 1144}
   (( resid 69   and name  HB1 ))
   (  resid 70   and name  HG2#)

      5.000     3.200     0.000 peak  1144 weight  1.00000E+00 volume  1.62750E+08 ppm1      2.677 ppm2      0.950
 ASSI { 1148}
   (( resid 24   and name  HB1 ))
   (  resid 25   and name  HD2#)

      5.000     3.200     0.000 peak  1148 weight  1.00000E+00 volume  1.85123E+08 ppm1      3.137 ppm2      0.758
 ASSI { 1152}
   (( resid 49   and name  HG1 ))
   (( resid 49   and name  HN  ))

      4.000     2.200     0.000 peak  1152 weight  1.00000E+00 volume  1.70939E+08 ppm1      2.356 ppm2      8.829
 ASSI { 1153}
   (( resid 49   and name  HB2 ))
   (( resid 49   and name  HN  ))

      4.000     2.200     0.000 peak  1153 weight  1.00000E+00 volume  3.17579E+08 ppm1      2.123 ppm2      8.829
 ASSI { 1154}
   (( resid 49   and name  HB1 ))
   (( resid 49   and name  HN  ))

      4.000     2.200     0.000 peak  1154 weight  1.00000E+00 volume  3.15021E+08 ppm1      2.057 ppm2      8.828
 ASSI { 1155}
   (( resid 49   and name  HN  ))
   (( resid 48   and name  HG  ))

      5.000     3.200     0.000 peak  1155 weight  1.00000E+00 volume  8.26199E+07 ppm1      8.828 ppm2      1.063
 ASSI { 1163}
   (( resid 75   and name  HB1 ))
   (( resid 75   and name  HN  ))

      2.800     1.000     0.000 peak  1163 weight  1.00000E+00 volume  3.84162E+08 ppm1      1.880 ppm2      8.703
 ASSI { 1177}
   (( resid 78   and name  HN  ))
   (( resid 78   and name  HB  ))

      2.800     1.000     0.000 peak  1177 weight  1.00000E+00 volume  7.53888E+07 ppm1      8.524 ppm2      2.072
 ASSI { 1178}
   (( resid 75   and name  HN  ))
   (  resid 60   and name  HD1#)

      6.000     4.200     0.000 peak  1178 weight  1.00000E+00 volume  1.24967E+08 ppm1      8.702 ppm2      0.801
 ASSI { 1180}
   (  resid 79   and name  HG# )
   (  resid 75   and name  HG# )

      4.000     2.200     0.000 peak  1180 weight  1.00000E+00 volume  1.65057E+08 ppm1      2.555 ppm2      1.405
 ASSI { 1181}
   (  resid 67   and name  HG# )
   (  resid 64   and name  HB# )

      5.000     3.200     0.000 peak  1181 weight  1.00000E+00 volume  2.51398E+08 ppm1      2.333 ppm2      1.405
 ASSI { 1187}
   (( resid 57   and name  HN  ))
   (( resid 57   and name  HB  ))

      5.000     3.200     0.000 peak  1187 weight  1.00000E+00 volume  1.26016E+08 ppm1      8.126 ppm2      2.114
 ASSI { 1188}
   (( resid 75   and name  HD2 ))
   (( resid 75   and name  HD1 ))

      2.800     1.000     0.000 peak  1188 weight  1.00000E+00 volume  1.46675E+09 ppm1      3.277 ppm2      3.141
 ASSI { 1192}
   (  resid 58   and name  HE# )
   (( resid 58   and name  HG2 ))

      4.000     2.200     0.000 peak  1192 weight  1.00000E+00 volume  2.48779E+08 ppm1      2.823 ppm2      1.242
 ASSI { 1196}
   (( resid 80   and name  HA2 ))
   (( resid 83   and name  HB1 ))

      4.000     2.200     0.000 peak  1196 weight  1.00000E+00 volume  3.51689E+08 ppm1      3.993 ppm2      2.665
 ASSI { 1199}
   (  resid 22   and name  HE# )
   (( resid 83   and name  HB1 ))

      5.000     3.200     0.000 peak  1199 weight  1.00000E+00 volume  1.16217E+08 ppm1      6.779 ppm2      2.675
 ASSI { 1201}
   (  resid 18   and name  HB# )
   (( resid 18   and name  HG  ))

      2.800     1.000     0.000 peak  1201 weight  1.00000E+00 volume  7.39836E+08 ppm1      1.875 ppm2      1.294
 ASSI { 1202}
   (( resid 95   and name  HA  ))
   (( resid 95   and name  HB1 ))

      4.000     2.200     0.000 peak  1202 weight  1.00000E+00 volume  5.00969E+08 ppm1      4.595 ppm2      2.658
 ASSI { 1203}
   (( resid 95   and name  HA  ))
   (( resid 95   and name  HB2 ))

      4.000     2.200     0.000 peak  1203 weight  1.00000E+00 volume  6.22456E+08 ppm1      4.595 ppm2      2.584
 ASSI { 1206}
   (( resid 86   and name  HB1 ))
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak  1206 weight  1.00000E+00 volume  1.21762E+08 ppm1      1.822 ppm2      0.486
 ASSI { 1209}
   (( resid 98   and name  HN  ))
   (( resid 98   and name  HA  ))

      2.800     1.000     0.000 peak  1209 weight  1.00000E+00 volume  5.54747E+08 ppm1      7.948 ppm2      4.268
 ASSI { 1214}
   (( resid 40   and name  HE1 ))
   (  resid 39   and name  HB# )

      5.000     3.200     0.000 peak  1214 weight  1.00000E+00 volume  7.95404E+07 ppm1      7.799 ppm2      2.969
 ASSI { 1215}
   (  resid 41   and name  HD# )
   (( resid 40   and name  HD2 ))

      4.000     2.200     0.000 peak  1215 weight  1.00000E+00 volume  3.64763E+08 ppm1      7.073 ppm2      6.601
 ASSI { 1216}
   (( resid 39   and name  HD2 ))
   (( resid 40   and name  HD2 ))

      4.000     2.200     0.000 peak  1216 weight  1.00000E+00 volume  3.14286E+08 ppm1      6.732 ppm2      6.603
 ASSI { 1217}
   (( resid 40   and name  HD2 ))
   (  resid 39   and name  HB# )

      5.000     3.200     0.000 peak  1217 weight  1.00000E+00 volume  5.88795E+07 ppm1      6.596 ppm2      2.967
 ASSI { 1218}
   (  resid 24   and name  HD# )
   (( resid 40   and name  HB1 ))

      5.000     3.200     0.000 peak  1218 weight  1.00000E+00 volume  2.69213E+08 ppm1      6.962 ppm2      2.874
 ASSI { 1220}
   (( resid 37   and name  HA  ))
   (( resid 40   and name  HB1 ))

      4.000     2.200     0.000 peak  1220 weight  1.00000E+00 volume  3.03697E+08 ppm1      4.164 ppm2      2.871
 ASSI { 1225}
   (( resid 91   and name  HA  ))
   (( resid 92   and name  HG1 ))

      4.000     2.200     0.000 peak  1225 weight  1.00000E+00 volume  6.62238E+07 ppm1      4.502 ppm2      1.957
 ASSI { 1226}
   (( resid 60   and name  HA  ))
   (  resid 63   and name  HD# )

      4.000     2.200     0.000 peak  1226 weight  1.00000E+00 volume  1.96099E+08 ppm1      4.133 ppm2      3.205
 ASSI { 1229}
   (  resid 58   and name  HD# )
   (( resid 58   and name  HG2 ))

      4.000     2.200     0.000 peak  1229 weight  1.00000E+00 volume  6.38910E+08 ppm1      1.576 ppm2      1.234
 ASSI { 1230}
   (( resid 102  and name  HN  ))
   (( resid 102  and name  HB2 ))

      4.000     2.200     0.000 peak  1230 weight  1.00000E+00 volume  3.49297E+08 ppm1      7.657 ppm2      3.993
 ASSI { 1231}
   (( resid 27   and name  HN  ))
   (( resid 26   and name  HA  ))

      4.000     2.200     0.000 peak  1231 weight  1.00000E+00 volume  2.09848E+08 ppm1      7.523 ppm2      4.176
 ASSI { 1232}
   (( resid 27   and name  HN  ))
   (( resid 23   and name  HA  ))

      4.000     2.200     0.000 peak  1232 weight  1.00000E+00 volume  1.56729E+08 ppm1      7.524 ppm2      4.080
 ASSI { 1233}
   (( resid 78   and name  HN  ))
   (( resid 78   and name  HA  ))

      4.000     2.200     0.000 peak  1233 weight  1.00000E+00 volume  5.01393E+08 ppm1      8.528 ppm2      3.470
 ASSI { 1234}
   (( resid 47   and name  HN  ))
   (( resid 46   and name  HB1 ))

      5.000     3.200     0.000 peak  1234 weight  1.00000E+00 volume  1.42998E+08 ppm1      8.146 ppm2      2.374
 ASSI { 1238}
   (( resid 64   and name  HN  ))
   (  resid 63   and name  HG# )

      4.000     2.200     0.000 peak  1238 weight  1.00000E+00 volume  7.18167E+07 ppm1      8.290 ppm2      1.648
 ASSI { 1249}
   (( resid 20   and name  HD2 ))
   (( resid 19   and name  HB2 ))

      5.000     3.200     0.000 peak  1249 weight  1.00000E+00 volume  8.67151E+07 ppm1      7.126 ppm2      2.696
 ASSI { 1251}
   (  resid 22   and name  HE# )
   (( resid 83   and name  HA  ))

      5.000     3.200     0.000 peak  1251 weight  1.00000E+00 volume  1.24587E+08 ppm1      6.776 ppm2      4.381
 ASSI { 1252}
   (  resid 22   and name  HD# )
   (( resid 19   and name  HA  ))

      5.000     3.200     0.000 peak  1252 weight  1.00000E+00 volume  1.23604E+08 ppm1      6.954 ppm2      4.469
 ASSI { 1257}
   (( resid 61   and name  HN  ))
   (( resid 57   and name  HA  ))

      4.000     2.200     0.000 peak  1257 weight  1.00000E+00 volume  1.56021E+08 ppm1      8.010 ppm2      3.509
 ASSI { 1258}
   (  resid 58   and name  HE# )
   (  resid 58   and name  HD# )

      2.800     1.000     0.000 peak  1258 weight  1.00000E+00 volume  4.74447E+08 ppm1      2.821 ppm2      1.578
 ASSI { 1259}
   (  resid 58   and name  HE# )
   (( resid 58   and name  HG2 ))

      4.000     2.200     0.000 peak  1259 weight  1.00000E+00 volume  2.33370E+08 ppm1      2.823 ppm2      1.368
 ASSI { 1260}
   (  resid 27   and name  HE# )
   (  resid 27   and name  HD# )

      4.000     2.200     0.000 peak  1260 weight  1.00000E+00 volume  2.64558E+08 ppm1      2.991 ppm2      1.550
 ASSI { 1261}
   (  resid 27   and name  HE# )
   (( resid 27   and name  HG2 ))

      4.000     2.200     0.000 peak  1261 weight  1.00000E+00 volume  2.35551E+08 ppm1      2.989 ppm2      1.447
 ASSI { 1262}
   (( resid 86   and name  HD1 ))
   (( resid 86   and name  HG2 ))

      2.800     1.000     0.000 peak  1262 weight  1.00000E+00 volume  4.87763E+08 ppm1      2.987 ppm2      1.640
 ASSI { 1264}
   (( resid 86   and name  HD2 ))
   (( resid 86   and name  HG2 ))

      4.000     2.200     0.000 peak  1264 weight  1.00000E+00 volume  2.36498E+08 ppm1      2.754 ppm2      1.639
 ASSI { 1265}
   (( resid 59   and name  HE2 ))
   (( resid 58   and name  HG2 ))

      4.000     2.200     0.000 peak  1265 weight  1.00000E+00 volume  2.55223E+08 ppm1      2.934 ppm2      1.338
 ASSI { 1266}
   (( resid 23   and name  HA  ))
   (  resid 27   and name  HD# )

      4.000     2.200     0.000 peak  1266 weight  1.00000E+00 volume  4.25077E+08 ppm1      4.070 ppm2      1.563
 ASSI { 1270}
   (( resid 73   and name  HB2 ))
   (  resid 76   and name  HB# )

      5.000     3.200     0.000 peak  1270 weight  1.00000E+00 volume  1.64147E+08 ppm1      2.661 ppm2      1.464
 ASSI { 1271}
   (( resid 49   and name  HN  ))
   (  resid 48   and name  HD2#)

      6.000     4.200     0.000 peak  1271 weight  1.00000E+00 volume  5.59785E+07 ppm1      8.826 ppm2      0.739
 ASSI { 1273}
   (( resid 56   and name  HN  ))
   (  resid 48   and name  HD2#)

      6.000     4.200     0.000 peak  1273 weight  1.00000E+00 volume  6.47473E+07 ppm1      8.408 ppm2      0.738
 ASSI { 1274}
   (( resid 56   and name  HN  ))
   (  resid 55   and name  HB# )

      2.800     1.000     0.000 peak  1274 weight  1.00000E+00 volume  4.16904E+07 ppm1      8.400 ppm2      2.049
 ASSI { 1276}
   (( resid 80   and name  HN  ))
   (  resid 25   and name  HD1#)

      6.000     4.200     0.000 peak  1276 weight  1.00000E+00 volume  4.57619E+07 ppm1      8.324 ppm2      0.714
 ASSI { 1277}
   (( resid 80   and name  HN  ))
   (  resid 78   and name  HG1#)

      6.000     4.200     0.000 peak  1277 weight  1.00000E+00 volume  6.35152E+07 ppm1      8.319 ppm2      0.775
 ASSI { 1283}
   (( resid 48   and name  HA  ))
   (  resid 48   and name  HD1#)

      5.000     3.200     0.000 peak  1283 weight  1.00000E+00 volume  3.72431E+08 ppm1      4.187 ppm2      0.875
 ASSI { 1285}
   (( resid 32   and name  HA  ))
   (  resid 35   and name  HG1#)

      5.000     3.200     0.000 peak  1285 weight  1.00000E+00 volume  1.82984E+08 ppm1      4.312 ppm2      1.008
 ASSI { 1286}
   (( resid 34   and name  HA  ))
   (  resid 35   and name  HG1#)

      5.000     3.200     0.000 peak  1286 weight  1.00000E+00 volume  1.73912E+08 ppm1      4.163 ppm2      1.009
 ASSI { 1289}
   (( resid 86   and name  HE  ))
   (( resid 82   and name  HG  ))

      5.000     3.200     0.000 peak  1289 weight  1.00000E+00 volume  1.45437E+08 ppm1      7.002 ppm2      1.521
 ASSI { 1299}
   (( resid 63   and name  HA  ))
   (( resid 63   and name  HB2 ))

      4.000     2.200     0.000 peak  1299 weight  1.00000E+00 volume  1.64968E+08 ppm1      4.250 ppm2      1.890
 ASSI { 1300}
   (( resid 58   and name  HA  ))
   (( resid 61   and name  HB  ))

      5.000     3.200     0.000 peak  1300 weight  1.00000E+00 volume  1.19680E+08 ppm1      3.640 ppm2      2.123
 ASSI { 1301}
   (( resid 53   and name  HA  ))
   (  resid 56   and name  HB# )

      4.000     2.200     0.000 peak  1301 weight  1.00000E+00 volume  5.10468E+08 ppm1      4.519 ppm2      1.324
 ASSI { 1302}
   (( resid 46   and name  HA  ))
   (( resid 49   and name  HB2 ))

      4.000     2.200     0.000 peak  1302 weight  1.00000E+00 volume  1.51788E+08 ppm1      4.404 ppm2      2.120
 ASSI { 1305}
   (( resid 43   and name  HN  ))
   (( resid 40   and name  HA  ))

      4.000     2.200     0.000 peak  1305 weight  1.00000E+00 volume  1.56160E+08 ppm1      8.027 ppm2      4.429
 ASSI { 1309}
   (( resid 20   and name  HA  ))
   (( resid 23   and name  HB1 ))

      5.000     3.200     0.000 peak  1309 weight  1.00000E+00 volume  1.02591E+08 ppm1      4.645 ppm2      2.260
 ASSI { 1312}
   (( resid 94   and name  HA  ))
   (  resid 97   and name  HB# )

      4.000     2.200     0.000 peak  1312 weight  1.00000E+00 volume  2.84358E+08 ppm1      4.609 ppm2      1.355
 ASSI { 1315}
   (( resid 82   and name  HN  ))
   (( resid 79   and name  HA  ))

      4.000     2.200     0.000 peak  1315 weight  1.00000E+00 volume  3.51721E+08 ppm1      8.558 ppm2      3.946
 ASSI { 1317}
   (( resid 58   and name  HN  ))
   (( resid 54   and name  HA  ))

      4.000     2.200     0.000 peak  1317 weight  1.00000E+00 volume  2.33320E+08 ppm1      7.892 ppm2      3.769
 ASSI { 1318}
   (( resid 49   and name  HN  ))
   (( resid 46   and name  HA  ))

      4.000     2.200     0.000 peak  1318 weight  1.00000E+00 volume  9.88092E+07 ppm1      8.823 ppm2      4.410
 ASSI { 1319}
   (( resid 47   and name  HN  ))
   (( resid 46   and name  HA  ))

      4.000     2.200     0.000 peak  1319 weight  1.00000E+00 volume  1.45066E+08 ppm1      8.140 ppm2      4.407
 ASSI { 1323}
   (( resid 84   and name  HN  ))
   (( resid 80   and name  HA1 ))

      5.000     3.200     0.000 peak  1323 weight  1.00000E+00 volume  5.22591E+07 ppm1      7.493 ppm2      3.903
 ASSI { 1324}
   (( resid 83   and name  HN  ))
   (( resid 80   and name  HA1 ))

      4.000     2.200     0.000 peak  1324 weight  1.00000E+00 volume  1.79263E+08 ppm1      8.658 ppm2      3.904
 ASSI { 1325}
   (( resid 81   and name  HN  ))
   (( resid 77   and name  HA  ))

      5.000     3.200     0.000 peak  1325 weight  1.00000E+00 volume  1.40012E+08 ppm1      7.710 ppm2      4.091
 ASSI { 1326}
   (( resid 79   and name  HN  ))
   (( resid 75   and name  HA  ))

      4.000     2.200     0.000 peak  1326 weight  1.00000E+00 volume  1.63998E+08 ppm1      8.650 ppm2      3.671
 ASSI { 1327}
   (( resid 74   and name  HN  ))
   (( resid 71   and name  HA  ))

      5.000     3.200     0.000 peak  1327 weight  1.00000E+00 volume  3.23023E+07 ppm1      7.619 ppm2      4.435
 ASSI { 1330}
   (( resid 49   and name  HN  ))
   (( resid 11   and name  HG2 ))

      5.000     3.200     0.000 peak  1330 weight  1.00000E+00 volume  3.31035E+07 ppm1      8.826 ppm2      2.200
 ASSI { 1332}
   (( resid 86   and name  HE  ))
   (( resid 83   and name  HA  ))

      5.000     3.200     0.000 peak  1332 weight  1.00000E+00 volume  1.33142E+08 ppm1      7.008 ppm2      4.379
 ASSI { 1337}
   (  resid 22   and name  HD# )
   (( resid 83   and name  HA  ))

      5.000     3.200     0.000 peak  1337 weight  1.00000E+00 volume  1.09830E+08 ppm1      6.957 ppm2      4.380
 ASSI { 1340}
   (( resid 52   and name  HA1 ))
   (  resid 85   and name  HD1#)

      6.000     4.200     0.000 peak  1340 weight  1.00000E+00 volume  9.44213E+07 ppm1      4.242 ppm2      0.431
 ASSI { 1341}
   (( resid 48   and name  HB2 ))
   (  resid 18   and name  HD# )

      5.000     3.200     0.000 peak  1341 weight  1.00000E+00 volume  2.93045E+08 ppm1      2.037 ppm2      0.616
 ASSI { 1343}
   (( resid 51   and name  HB1 ))
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak  1343 weight  1.00000E+00 volume  7.76837E+07 ppm1      3.462 ppm2      0.483
 ASSI { 1344}
   (( resid 82   and name  HB2 ))
   (  resid 85   and name  HD1#)

      6.000     4.200     0.000 peak  1344 weight  1.00000E+00 volume  1.23409E+08 ppm1      1.909 ppm2      0.427
 ASSI { 1345}
   (( resid 82   and name  HB2 ))
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak  1345 weight  1.00000E+00 volume  1.00057E+08 ppm1      1.908 ppm2      0.487
 ASSI { 1347}
   (( resid 99   and name  HA  ))
   (  resid 96   and name  HG# )

      5.000     3.200     0.000 peak  1347 weight  1.00000E+00 volume  3.85746E+08 ppm1      4.520 ppm2      0.927
 ASSI { 1349}
   (( resid 53   and name  HG  ))
   (  resid 57   and name  HG1#)

      5.000     3.200     0.000 peak  1349 weight  1.00000E+00 volume  5.97452E+08 ppm1      1.696 ppm2      1.073
 ASSI { 1351}
   (( resid 21   and name  HG  ))
   (  resid 57   and name  HG1#)

      5.000     3.200     0.000 peak  1351 weight  1.00000E+00 volume  2.63080E+08 ppm1      1.525 ppm2      1.073
 ASSI { 1352}
   (  resid 56   and name  HB# )
   (  resid 57   and name  HG1#)

      6.000     4.200     0.000 peak  1352 weight  1.00000E+00 volume  3.67883E+08 ppm1      1.316 ppm2      1.074
 ASSI { 1355}
   (( resid 14   and name  HA  ))
   (( resid 17   and name  HG11))

      5.000     3.200     0.000 peak  1355 weight  1.00000E+00 volume  5.50987E+07 ppm1      4.896 ppm2      1.264
 ASSI { 1358}
   (( resid 40   and name  HE1 ))
   (( resid 40   and name  HA  ))

      5.000     3.200     0.000 peak  1358 weight  1.00000E+00 volume  1.26824E+08 ppm1      7.779 ppm2      4.428
! ASSI { 1360}
!   (( resid 60   and name  HA  ))
!   (( resid 57   and name  HA  ))
!
!      4.000     2.200     0.000 peak  1360 weight  1.00000E+00 volume  2.18593E+08 ppm1      4.132 ppm2      3.509
 ASSI { 1364}
   (( resid 26   and name  HB1 ))
   (  resid 25   and name  HD1#)

      6.000     4.200     0.000 peak  1364 weight  1.00000E+00 volume  1.14313E+08 ppm1      2.550 ppm2      1.249
 ASSI { 1367}
   (( resid 86   and name  HD2 ))
   (  resid 82   and name  HD1#)

      6.000     4.200     0.000 peak  1367 weight  1.00000E+00 volume  1.39435E+08 ppm1      2.755 ppm2      0.899
 ASSI { 1370}
   (( resid 43   and name  HG2 ))
   (  resid 17   and name  HG2#)

      5.000     3.200     0.000 peak  1370 weight  1.00000E+00 volume  1.70259E+08 ppm1      2.257 ppm2      0.983
 ASSI { 1373}
   (( resid 89   and name  HB2 ))
   (  resid 91   and name  HG2#)

      5.000     3.200     0.000 peak  1373 weight  1.00000E+00 volume  1.97819E+08 ppm1      2.182 ppm2      0.977
 ASSI { 1376}
   (( resid 78   and name  HN  ))
   (( resid 77   and name  HA  ))

      4.000     2.200     0.000 peak  1376 weight  1.00000E+00 volume  3.40230E+08 ppm1      8.526 ppm2      4.090
 ASSI { 1377}
   (( resid 20   and name  HE1 ))
   (( resid 40   and name  HA  ))

      5.000     3.200     0.000 peak  1377 weight  1.00000E+00 volume  1.23124E+08 ppm1      8.224 ppm2      4.434
 ASSI { 1380}
   (  resid 7    and name  HA# )
   (  resid 6    and name  HB# )

      5.000     3.200     0.000 peak  1380 weight  1.00000E+00 volume  2.50265E+08 ppm1      3.931 ppm2      1.399
 ASSI { 1384}
   (( resid 71   and name  HD2 ))
   (  resid 71   and name  HB# )

      4.000     2.200     0.000 peak  1384 weight  1.00000E+00 volume  1.78196E+08 ppm1      3.614 ppm2      2.390
! ASSI { 1385}
!   (( resid 16   and name  HB1 ))
!   (  resid 12   and name  HG2#)
!
!      5.000     3.200     0.000 peak  1385 weight  1.00000E+00 volume  1.92075E+08 ppm1      2.089 ppm2      1.204
 ASSI { 1386}
   (( resid 11   and name  HB1 ))
   (  resid 12   and name  HG2#)

      5.000     3.200     0.000 peak  1386 weight  1.00000E+00 volume  2.45122E+08 ppm1      2.024 ppm2      1.205
 ASSI { 1390}
   (( resid 81   and name  HN  ))
   (  resid 84   and name  HD1#)

      5.000     3.200     0.000 peak  1390 weight  1.00000E+00 volume  1.67007E+08 ppm1      7.716 ppm2      0.981
 ASSI { 1400}
   (( resid 92   and name  HD2 ))
   (( resid 92   and name  HG2 ))

      4.000     2.200     0.000 peak  1400 weight  1.00000E+00 volume  1.78264E+08 ppm1      3.893 ppm2      1.697
 ASSI { 1401}
   (( resid 71   and name  HA  ))
   (( resid 71   and name  HD2 ))

      4.000     2.200     0.000 peak  1401 weight  1.00000E+00 volume  2.65621E+08 ppm1      4.429 ppm2      3.612
 ASSI { 1402}
   (( resid 71   and name  HA  ))
   (( resid 71   and name  HD1 ))

      4.000     2.200     0.000 peak  1402 weight  1.00000E+00 volume  5.55270E+08 ppm1      4.429 ppm2      3.968
 ASSI { 1404}
   (( resid 62   and name  HN  ))
   (( resid 61   and name  HA  ))

      4.000     2.200     0.000 peak  1404 weight  1.00000E+00 volume  3.24646E+08 ppm1      7.712 ppm2      3.981
 ASSI { 1405}
   (( resid 50   and name  HN  ))
   (( resid 46   and name  HA  ))

      5.000     3.200     0.000 peak  1405 weight  1.00000E+00 volume  6.42489E+07 ppm1      7.717 ppm2      4.409
 ASSI { 1406}
   (( resid 50   and name  HN  ))
   (( resid 47   and name  HA  ))

      4.000     2.200     0.000 peak  1406 weight  1.00000E+00 volume  7.66993E+07 ppm1      7.720 ppm2      4.477
 ASSI { 1409}
   (( resid 30   and name  HD1 ))
   (( resid 30   and name  HB1 ))

      5.000     3.200     0.000 peak  1409 weight  1.00000E+00 volume  1.45702E+08 ppm1      3.607 ppm2      2.272
 ASSI { 1413}
   (( resid 70   and name  HN  ))
   (( resid 70   and name  HB  ))

      5.000     3.200     0.000 peak  1413 weight  1.00000E+00 volume  6.34688E+07 ppm1      8.215 ppm2      2.092
 ASSI { 1414}
   (( resid 57   and name  HB  ))
   (  resid 60   and name  HD1#)

      4.000     2.200     0.000 peak  1414 weight  1.00000E+00 volume  1.38974E+09 ppm1      2.118 ppm2      0.803
 ASSI { 1416}
   (( resid 18   and name  HN  ))
   (( resid 17   and name  HA  ))

      4.000     2.200     0.000 peak  1416 weight  1.00000E+00 volume  3.88929E+08 ppm1      8.151 ppm2      3.862
 ASSI { 1418}
   (( resid 96   and name  HN  ))
   (( resid 95   and name  HA  ))

      4.000     2.200     0.000 peak  1418 weight  1.00000E+00 volume  1.89959E+08 ppm1      8.239 ppm2      4.594
 ASSI { 1422}
   (( resid 11   and name  HG2 ))
   (  resid 12   and name  HG2#)

      6.000     4.200     0.000 peak  1422 weight  1.00000E+00 volume  1.05344E+08 ppm1      2.196 ppm2      1.204
 !ASSI { 1425}
 !  (( resid 23   and name  HA  ))
  ! (( resid 22   and name  HA  ))

  !    4.000     2.200     0.000 peak  1425 weight  1.00000E+00 volume  3.59063E+08 ppm1      4.073 ppm2      3.633
 ASSI {    1}
   (( resid 61   and name  HN  ))
   (  resid 61   and name  HG# )

      4.000     2.200     0.000 peak     1 weight  1.00000E+00 volume  2.31149E+09 ppm1      7.987 ppm2      0.791
 ASSI {    7}
   (( resid 87   and name  HN  ))
   (( resid 87   and name  HA  ))

      2.800     1.000     0.000 peak     7 weight  1.00000E+00 volume  1.30438E+09 ppm1      7.696 ppm2      4.460
 ASSI {    8}
   (( resid 87   and name  HN  ))
   (( resid 87   and name  HB2 ))

      2.800     1.000     0.000 peak     8 weight  1.00000E+00 volume  1.56426E+09 ppm1      7.695 ppm2      3.989
 ASSI {    9}
   (( resid 87   and name  HN  ))
   (( resid 87   and name  HB1 ))

      2.800     1.000     0.000 peak     9 weight  1.00000E+00 volume  1.72247E+09 ppm1      7.698 ppm2      4.057
 ASSI {   11}
   (( resid 74   and name  HN  ))
   (( resid 73   and name  HA  ))

      4.000     2.200     0.000 peak    11 weight  1.00000E+00 volume  7.05075E+08 ppm1      7.594 ppm2      4.659
 ASSI {   13}
   (( resid 34   and name  HN  ))
   (( resid 33   and name  HB1 ))

      4.000     2.200     0.000 peak    13 weight  1.00000E+00 volume  3.64029E+08 ppm1      8.180 ppm2      2.864
 ASSI {   14}
   (( resid 34   and name  HN  ))
   (( resid 33   and name  HB2 ))

      4.000     2.200     0.000 peak    14 weight  1.00000E+00 volume  5.16175E+08 ppm1      8.184 ppm2      2.738
 ASSI {   20}
   (( resid 20   and name  HN  ))
   (( resid 19   and name  HA  ))

      4.000     2.200     0.000 peak    20 weight  1.00000E+00 volume  5.82814E+08 ppm1      8.217 ppm2      4.458
 ASSI {   27}
   (( resid 82   and name  HN  ))
   (  resid 82   and name  HD# )

      4.000     2.200     0.000 peak    27 weight  1.00000E+00 volume  1.54265E+09 ppm1      8.580 ppm2      0.859
 ASSI {   41}
   (( resid 21   and name  HN  ))
   (( resid 21   and name  HA  ))

      2.800     1.000     0.000 peak    41 weight  1.00000E+00 volume  1.30397E+09 ppm1      8.483 ppm2      4.056
 ASSI {   43}
   (( resid 17   and name  HN  ))
   (( resid 17   and name  HB  ))

      2.500     0.700     0.000 peak    43 weight  1.00000E+00 volume  3.54654E+09 ppm1      7.751 ppm2      2.027
 ASSI {   53}
   (( resid 85   and name  HN  ))
   (  resid 85   and name  HG1#)

      4.000     2.200     0.000 peak    53 weight  1.00000E+00 volume  1.15351E+09 ppm1      8.050 ppm2      0.766
 ASSI {   58}
   (( resid 94   and name  HN  ))
   (( resid 94   and name  HA  ))

      4.000     2.200     0.000 peak    58 weight  1.00000E+00 volume  2.90179E+08 ppm1      7.876 ppm2      4.611
 ASSI {   59}
   (( resid 94   and name  HN  ))
   (( resid 94   and name  HB2 ))

      5.000     3.200     0.000 peak    59 weight  1.00000E+00 volume  2.02501E+08 ppm1      7.875 ppm2      3.061
 ASSI {   60}
   (( resid 94   and name  HN  ))
   (( resid 94   and name  HB1 ))

      5.000     3.200     0.000 peak    60 weight  1.00000E+00 volume  2.42500E+08 ppm1      7.876 ppm2      3.125
 ASSI {   64}
   (( resid 10   and name  HN  ))
   (( resid 10   and name  HA  ))

      4.000     2.200     0.000 peak    64 weight  1.00000E+00 volume  2.00523E+08 ppm1      8.409 ppm2      4.662
 ASSI {   69}
   (( resid 63   and name  HN  ))
   (( resid 63   and name  HB1 ))

      4.000     2.200     0.000 peak    69 weight  1.00000E+00 volume  2.65248E+09 ppm1      8.025 ppm2      1.828
 ASSI {   70}
   (( resid 63   and name  HN  ))
   (  resid 63   and name  HG# )

      2.800     1.000     0.000 peak    70 weight  1.00000E+00 volume  1.97819E+09 ppm1      8.025 ppm2      1.645
 ASSI {   73}
   (( resid 19   and name  HN  ))
   (( resid 18   and name  HG  ))

      4.000     2.200     0.000 peak    73 weight  1.00000E+00 volume  6.02477E+08 ppm1      8.115 ppm2      1.285
 ASSI {   74}
   (( resid 63   and name  HN  ))
   (  resid 62   and name  HG# )

      4.000     2.200     0.000 peak    74 weight  1.00000E+00 volume  7.95763E+08 ppm1      8.024 ppm2      1.396
 ASSI {   83}
   (( resid 79   and name  HN  ))
   (( resid 79   and name  HB2 ))

      4.000     2.200     0.000 peak    83 weight  1.00000E+00 volume  1.03522E+09 ppm1      8.625 ppm2      2.170
 ASSI {   87}
   (( resid 77   and name  HN  ))
   (( resid 77   and name  HB2 ))

      2.800     1.000     0.000 peak    87 weight  1.00000E+00 volume  2.71820E+09 ppm1      8.112 ppm2      1.986
 ASSI {   89}
   (( resid 77   and name  HN  ))
   (  resid 77   and name  HD# )

      4.000     2.200     0.000 peak    89 weight  1.00000E+00 volume  2.11078E+09 ppm1      8.112 ppm2      1.661
 ASSI {   98}
   (( resid 50   and name  HN  ))
   (  resid 49   and name  HB# )

      3.500     1.000     0.000 peak    98 weight  1.00000E+00 volume  2.11836E+09 ppm1      7.701 ppm2      2.084
 ASSI {   99}
   (( resid 62   and name  HN  ))
   (( resid 62   and name  HB2 ))

      2.500     0.700     0.000 peak    99 weight  1.00000E+00 volume  3.50244E+09 ppm1      7.711 ppm2      1.815
 ASSI {  100}
   (( resid 62   and name  HN  ))
   (  resid 62   and name  HD# )

      4.000     2.200     0.000 peak   100 weight  1.00000E+00 volume  9.04590E+08 ppm1      7.712 ppm2      1.448
 ASSI {  102}
   (( resid 62   and name  HN  ))
   (( resid 62   and name  HB1 ))

      2.800     1.000     0.000 peak   102 weight  1.00000E+00 volume  2.01679E+09 ppm1      7.710 ppm2      1.632
 ASSI {  117}
   (( resid 67   and name  HN  ))
   (( resid 67   and name  HG2 ))

      4.000     2.200     0.000 peak   117 weight  1.00000E+00 volume  3.26578E+08 ppm1      8.127 ppm2      2.325
 ASSI {  119}
   (( resid 67   and name  HN  ))
   (( resid 67   and name  HB2 ))

      4.000     2.200     0.000 peak   119 weight  1.00000E+00 volume  3.65105E+08 ppm1      8.129 ppm2      2.136
 ASSI {  125}
   (( resid 49   and name  HN  ))
   (  resid 49   and name  HB# )

      2.800     1.000     0.000 peak   125 weight  1.00000E+00 volume  1.59997E+09 ppm1      8.833 ppm2      2.080
 ASSI {  126}
   (( resid 55   and name  HN  ))
   (( resid 55   and name  HA  ))

      4.000     2.200     0.000 peak   126 weight  1.00000E+00 volume  1.12706E+09 ppm1      8.332 ppm2      3.990
 ASSI {  128}
   (( resid 42   and name  HN  ))
   (( resid 42   and name  HA  ))

      4.000     2.200     0.000 peak   128 weight  1.00000E+00 volume  6.74415E+08 ppm1      8.353 ppm2      4.012
 ASSI {  138}
   (( resid 81   and name  HN  ))
   (( resid 80   and name  HA2 ))

      4.000     2.200     0.000 peak   138 weight  1.00000E+00 volume  1.01953E+09 ppm1      7.758 ppm2      3.991
 ASSI {  150}
   (( resid 21   and name  HN  ))
   (( resid 20   and name  HN  ))

      2.800     1.000     0.000 peak   150 weight  1.00000E+00 volume  1.00835E+09 ppm1      8.482 ppm2      8.215
 ASSI {  152}
   (( resid 15   and name  HN  ))
   (( resid 16   and name  HN  ))

      4.000     2.200     0.000 peak   152 weight  1.00000E+00 volume  8.79500E+08 ppm1      8.519 ppm2      7.942
 ASSI {  155}
   (( resid 16   and name  HN  ))
   (( resid 17   and name  HN  ))

      2.800     1.000     0.000 peak   155 weight  1.00000E+00 volume  1.53460E+09 ppm1      7.941 ppm2      7.751
 ASSI {  158}
   (( resid 18   and name  HN  ))
   (( resid 17   and name  HN  ))

      2.800     1.000     0.000 peak   158 weight  1.00000E+00 volume  1.02145E+09 ppm1      8.184 ppm2      7.749
 ASSI {  159}
   (( resid 22   and name  HN  ))
   (( resid 23   and name  HN  ))

      2.800     1.000     0.000 peak   159 weight  1.00000E+00 volume  1.36963E+09 ppm1      8.504 ppm2      8.080
 ASSI {  166}
   (( resid 26   and name  HN  ))
   (( resid 26   and name  HB1 ))

      4.000     2.200     0.000 peak   166 weight  1.00000E+00 volume  5.72993E+08 ppm1      8.661 ppm2      2.545
 ASSI {  168}
   (( resid 26   and name  HN  ))
   (( resid 25   and name  HN  ))

      4.000     2.200     0.000 peak   168 weight  1.00000E+00 volume  3.88247E+08 ppm1      8.661 ppm2      8.116
 ASSI {  169}
   (( resid 26   and name  HN  ))
   (( resid 27   and name  HN  ))

      4.000     2.200     0.000 peak   169 weight  1.00000E+00 volume  5.04937E+08 ppm1      8.661 ppm2      7.538
 ASSI {  173}
   (( resid 28   and name  HN  ))
   (( resid 27   and name  HN  ))

      4.000     2.200     0.000 peak   173 weight  1.00000E+00 volume  9.80297E+08 ppm1      7.869 ppm2      7.534
 ASSI {  174}
   (( resid 29   and name  HN  ))
   (( resid 28   and name  HN  ))

      4.000     2.200     0.000 peak   174 weight  1.00000E+00 volume  7.81293E+08 ppm1      8.073 ppm2      7.889
 ASSI {  176}
   (( resid 34   and name  HN  ))
   (( resid 33   and name  HN  ))

      4.000     2.200     0.000 peak   176 weight  1.00000E+00 volume  4.98731E+08 ppm1      8.184 ppm2      7.999
 ASSI {  177}
   (( resid 34   and name  HN  ))
   (( resid 35   and name  HN  ))

      4.000     2.200     0.000 peak   177 weight  1.00000E+00 volume  7.45994E+08 ppm1      8.183 ppm2      7.906
 ASSI {  179}
   (( resid 37   and name  HN  ))
   (( resid 36   and name  HN  ))

      4.000     2.200     0.000 peak   179 weight  1.00000E+00 volume  9.09337E+08 ppm1      8.010 ppm2      7.828
 ASSI {  180}
   (( resid 38   and name  HN  ))
   (( resid 37   and name  HN  ))

      4.000     2.200     0.000 peak   180 weight  1.00000E+00 volume  7.00364E+08 ppm1      8.262 ppm2      8.010
 ASSI {  181}
   (( resid 42   and name  HN  ))
   (( resid 43   and name  HN  ))

      4.000     2.200     0.000 peak   181 weight  1.00000E+00 volume  3.54250E+08 ppm1      8.350 ppm2      8.010
 ASSI {  183}
   (( resid 43   and name  HN  ))
   (( resid 44   and name  HN  ))

      4.000     2.200     0.000 peak   183 weight  1.00000E+00 volume  1.00244E+09 ppm1      8.010 ppm2      7.902
 ASSI {  186}
   (( resid 45   and name  HN  ))
   (( resid 44   and name  HN  ))

      4.000     2.200     0.000 peak   186 weight  1.00000E+00 volume  6.08934E+08 ppm1      8.091 ppm2      7.907
 ASSI {  188}
   (( resid 47   and name  HN  ))
   (( resid 48   and name  HN  ))

      4.000     2.200     0.000 peak   188 weight  1.00000E+00 volume  9.07815E+08 ppm1      8.113 ppm2      7.958
 ASSI {  190}
   (( resid 49   and name  HN  ))
   (( resid 48   and name  HN  ))

      4.000     2.200     0.000 peak   190 weight  1.00000E+00 volume  7.29678E+08 ppm1      8.835 ppm2      7.960
 ASSI {  191}
   (( resid 49   and name  HN  ))
   (( resid 50   and name  HN  ))

      4.000     2.200     0.000 peak   191 weight  1.00000E+00 volume  6.24466E+08 ppm1      8.835 ppm2      7.702
 ASSI {  201}
   (( resid 52   and name  HN  ))
   (( resid 50   and name  HN  ))

      4.000     2.200     0.000 peak   201 weight  1.00000E+00 volume  3.65026E+08 ppm1      7.932 ppm2      7.698
 ASSI {  204}
   (( resid 53   and name  HN  ))
   (( resid 52   and name  HN  ))

      2.800     1.000     0.000 peak   204 weight  1.00000E+00 volume  1.50175E+09 ppm1      8.124 ppm2      7.940
 ASSI {  206}
   (( resid 54   and name  HN  ))
   (( resid 53   and name  HN  ))

      2.800     1.000     0.000 peak   206 weight  1.00000E+00 volume  1.44316E+09 ppm1      8.495 ppm2      8.123
 ASSI {  207}
   (( resid 54   and name  HN  ))
   (( resid 55   and name  HN  ))

      4.000     2.200     0.000 peak   207 weight  1.00000E+00 volume  7.69366E+08 ppm1      8.494 ppm2      8.336
 ASSI {  209}
   (( resid 55   and name  HN  ))
   (( resid 57   and name  HN  ))

      5.000     3.200     0.000 peak   209 weight  1.00000E+00 volume  2.68818E+08 ppm1      8.331 ppm2      8.099
 ASSI {  210}
   (( resid 56   and name  HN  ))
   (( resid 57   and name  HN  ))

      2.800     1.000     0.000 peak   210 weight  1.00000E+00 volume  1.02229E+09 ppm1      8.377 ppm2      8.088
 ASSI {  212}
   (( resid 57   and name  HN  ))
   (( resid 58   and name  HN  ))

      2.800     1.000     0.000 peak   212 weight  1.00000E+00 volume  1.73989E+09 ppm1      8.089 ppm2      7.904
 ASSI {  214}
   (( resid 58   and name  HN  ))
   (( resid 59   and name  HN  ))

      2.800     1.000     0.000 peak   214 weight  1.00000E+00 volume  1.52340E+09 ppm1      7.902 ppm2      7.414
 ASSI {  217}
   (( resid 60   and name  HN  ))
   (( resid 59   and name  HN  ))

      2.800     1.000     0.000 peak   217 weight  1.00000E+00 volume  1.43439E+09 ppm1      7.725 ppm2      7.413
 ASSI {  219}
   (( resid 61   and name  HN  ))
   (( resid 60   and name  HN  ))

      2.800     1.000     0.000 peak   219 weight  1.00000E+00 volume  2.43524E+09 ppm1      7.986 ppm2      7.718
 ASSI {  221}
   (( resid 63   and name  HN  ))
   (( resid 62   and name  HN  ))

      2.800     1.000     0.000 peak   221 weight  1.00000E+00 volume  1.24242E+09 ppm1      8.024 ppm2      7.713
 ASSI {  223}
   (( resid 64   and name  HN  ))
   (( resid 63   and name  HN  ))

      4.000     2.200     0.000 peak   223 weight  1.00000E+00 volume  4.89423E+08 ppm1      8.276 ppm2      8.027
 ASSI {  225}
   (( resid 69   and name  HN  ))
   (( resid 70   and name  HN  ))

      4.000     2.200     0.000 peak   225 weight  1.00000E+00 volume  1.16141E+09 ppm1      8.288 ppm2      8.190
 ASSI {  228}
   (( resid 75   and name  HN  ))
   (( resid 74   and name  HN  ))

      4.000     2.200     0.000 peak   228 weight  1.00000E+00 volume  8.58476E+08 ppm1      8.644 ppm2      7.594
 ASSI {  229}
   (( resid 75   and name  HN  ))
   (( resid 76   and name  HN  ))

      2.800     1.000     0.000 peak   229 weight  1.00000E+00 volume  1.14156E+09 ppm1      8.645 ppm2      8.006
 ASSI {  232}
   (( resid 77   and name  HN  ))
   (( resid 76   and name  HN  ))

      2.500     0.700     0.000 peak   232 weight  1.00000E+00 volume  2.26213E+09 ppm1      8.112 ppm2      8.010
 ASSI {  234}
   (( resid 78   and name  HN  ))
   (( resid 77   and name  HN  ))

      2.800     1.000     0.000 peak   234 weight  1.00000E+00 volume  1.66962E+09 ppm1      8.540 ppm2      8.113
 ASSI {  237}
   (( resid 79   and name  HN  ))
   (( resid 80   and name  HN  ))

      2.800     1.000     0.000 peak   237 weight  1.00000E+00 volume  1.15881E+09 ppm1      8.625 ppm2      8.290
 ASSI {  238}
   (( resid 79   and name  HN  ))
   (( resid 78   and name  HN  ))

      2.800     1.000     0.000 peak   238 weight  1.00000E+00 volume  2.38966E+09 ppm1      8.625 ppm2      8.535
 ASSI {  243}
   (( resid 80   and name  HN  ))
   (( resid 81   and name  HN  ))

      2.800     1.000     0.000 peak   243 weight  1.00000E+00 volume  1.43593E+09 ppm1      8.288 ppm2      7.758
 ASSI {  244}
   (( resid 82   and name  HN  ))
   (( resid 81   and name  HN  ))

      2.800     1.000     0.000 peak   244 weight  1.00000E+00 volume  1.50653E+09 ppm1      8.579 ppm2      7.759
 ASSI {  246}
   (( resid 82   and name  HN  ))
   (  resid 22   and name  HE# )

      6.000     4.200     0.000 peak   246 weight  1.00000E+00 volume  1.49430E+08 ppm1      8.580 ppm2      6.780
 ASSI {  247}
   (( resid 82   and name  HN  ))
   (( resid 80   and name  HN  ))

      4.000     2.200     0.000 peak   247 weight  1.00000E+00 volume  3.08037E+08 ppm1      8.581 ppm2      8.280
 ASSI {  248}
   (( resid 83   and name  HN  ))
   (( resid 84   and name  HN  ))

      2.800     1.000     0.000 peak   248 weight  1.00000E+00 volume  1.53536E+09 ppm1      8.657 ppm2      7.492
 ASSI {  253}
   (( resid 85   and name  HN  ))
   (( resid 84   and name  HN  ))

      2.800     1.000     0.000 peak   253 weight  1.00000E+00 volume  1.42530E+09 ppm1      8.050 ppm2      7.492
 ASSI {  255}
   (( resid 86   and name  HN  ))
   (( resid 85   and name  HN  ))

      2.800     1.000     0.000 peak   255 weight  1.00000E+00 volume  1.37654E+09 ppm1      8.479 ppm2      8.053
 ASSI {  256}
   (( resid 86   and name  HN  ))
   (( resid 87   and name  HN  ))

      2.800     1.000     0.000 peak   256 weight  1.00000E+00 volume  9.53494E+08 ppm1      8.478 ppm2      7.696
 ASSI {  259}
   (( resid 88   and name  HN  ))
   (( resid 87   and name  HN  ))

      2.800     1.000     0.000 peak   259 weight  1.00000E+00 volume  1.47541E+09 ppm1      7.858 ppm2      7.695
 ASSI {  260}
   (( resid 58   and name  HN  ))
   (( resid 60   and name  HN  ))

      4.000     2.200     0.000 peak   260 weight  1.00000E+00 volume  7.40777E+08 ppm1      7.903 ppm2      7.724
 ASSI {  263}
   (( resid 90   and name  HN  ))
   (( resid 89   and name  HN  ))

      4.000     2.200     0.000 peak   263 weight  1.00000E+00 volume  2.83657E+08 ppm1      8.256 ppm2      7.895
 ASSI {  264}
   (( resid 93   and name  HN  ))
   (( resid 94   and name  HN  ))

      5.000     3.200     0.000 peak   264 weight  1.00000E+00 volume  2.21344E+08 ppm1      8.518 ppm2      7.877
 ASSI {  269}
   (( resid 97   and name  HN  ))
   (( resid 96   and name  HN  ))

      4.000     2.200     0.000 peak   269 weight  1.00000E+00 volume  5.33465E+08 ppm1      8.423 ppm2      8.247
 ASSI {  270}
   (( resid 97   and name  HN  ))
   (( resid 98   and name  HN  ))

      4.000     2.200     0.000 peak   270 weight  1.00000E+00 volume  3.60347E+08 ppm1      8.421 ppm2      7.974
 ASSI {  275}
   (( resid 99   and name  HN  ))
   (( resid 98   and name  HN  ))

      4.000     2.200     0.000 peak   275 weight  1.00000E+00 volume  2.68729E+08 ppm1      8.214 ppm2      7.979
 ASSI {  278}
   (( resid 6    and name  HN  ))
   (( resid 6    and name  HA  ))

      5.000     3.200     0.000 peak   278 weight  1.00000E+00 volume  2.65849E+08 ppm1      8.411 ppm2      4.331
 ASSI {  282}
   (( resid 97   and name  HN  ))
   (  resid 96   and name  HG1#)

      4.000     2.200     0.000 peak   282 weight  1.00000E+00 volume  1.07220E+09 ppm1      8.421 ppm2      0.919
 ASSI {  283}
   (( resid 97   and name  HN  ))
   (( resid 96   and name  HB  ))

      4.000     2.200     0.000 peak   283 weight  1.00000E+00 volume  3.75813E+08 ppm1      8.421 ppm2      2.051
 ASSI {  284}
   (( resid 97   and name  HN  ))
   (( resid 96   and name  HA  ))

      4.000     2.200     0.000 peak   284 weight  1.00000E+00 volume  1.46828E+09 ppm1      8.421 ppm2      3.990
 ASSI {  293}
   (( resid 56   and name  HN  ))
   (( resid 56   and name  HA  ))

      2.800     1.000     0.000 peak   293 weight  1.00000E+00 volume  1.44815E+09 ppm1      8.377 ppm2      3.999
 ASSI {  298}
   (( resid 64   and name  HN  ))
   (( resid 64   and name  HA  ))

      2.800     1.000     0.000 peak   298 weight  1.00000E+00 volume  1.18999E+09 ppm1      8.274 ppm2      4.327
 ASSI {  305}
   (( resid 98   and name  HN  ))
   (  resid 98   and name  HB# )

      4.000     2.200     0.000 peak   305 weight  1.00000E+00 volume  2.57016E+09 ppm1      7.979 ppm2      1.355
 ASSI {  317}
   (( resid 52   and name  HN  ))
   (( resid 52   and name  HA2 ))

      2.800     1.000     0.000 peak   317 weight  1.00000E+00 volume  1.89807E+09 ppm1      7.937 ppm2      3.982
 ASSI {  318}
   (( resid 66   and name  HN  ))
   (( resid 65   and name  HA  ))

      4.000     2.200     0.000 peak   318 weight  1.00000E+00 volume  4.69470E+08 ppm1      8.398 ppm2      4.296
 ASSI {  319}
   (( resid 66   and name  HN  ))
   (( resid 66   and name  HA2 ))

      4.000     2.200     0.000 peak   319 weight  1.00000E+00 volume  3.62931E+08 ppm1      8.398 ppm2      4.036
 ASSI {  320}
   (( resid 66   and name  HN  ))
   (( resid 66   and name  HA1 ))

      4.000     2.200     0.000 peak   320 weight  1.00000E+00 volume  3.60308E+08 ppm1      8.397 ppm2      3.926
 ASSI {  322}
   (( resid 66   and name  HN  ))
   (  resid 65   and name  HB# )

      6.000     4.200     0.000 peak   322 weight  1.00000E+00 volume  2.58863E+08 ppm1      8.398 ppm2      1.407
 ASSI {  331}
   (( resid 88   and name  HN  ))
   (( resid 87   and name  HA  ))

      4.000     2.200     0.000 peak   331 weight  1.00000E+00 volume  6.78997E+08 ppm1      7.858 ppm2      4.458
 ASSI {  337}
   (( resid 32   and name  HN  ))
   (( resid 32   and name  HB2 ))

      5.000     3.200     0.000 peak   337 weight  1.00000E+00 volume  2.56493E+08 ppm1      8.296 ppm2      3.883
 ASSI {  338}
   (( resid 32   and name  HN  ))
   (( resid 32   and name  HB1 ))

      4.000     2.200     0.000 peak   338 weight  1.00000E+00 volume  2.74129E+08 ppm1      8.298 ppm2      3.966
 ASSI {  343}
   (( resid 44   and name  HN  ))
   (  resid 44   and name  HB# )

      4.000     2.200     0.000 peak   343 weight  1.00000E+00 volume  8.69132E+08 ppm1      7.901 ppm2      3.813
 ASSI {  345}
   (( resid 44   and name  HN  ))
   (( resid 43   and name  HA  ))

      4.000     2.200     0.000 peak   345 weight  1.00000E+00 volume  6.95985E+08 ppm1      7.901 ppm2      4.202
 ASSI {  347}
   (( resid 45   and name  HN  ))
   (( resid 45   and name  HB2 ))

      4.000     2.200     0.000 peak   347 weight  1.00000E+00 volume  8.32016E+08 ppm1      8.096 ppm2      3.929
 ASSI {  349}
   (( resid 45   and name  HN  ))
   (( resid 45   and name  HA  ))

      4.000     2.200     0.000 peak   349 weight  1.00000E+00 volume  5.29570E+08 ppm1      8.092 ppm2      4.287
 ASSI {  352}
   (( resid 90   and name  HN  ))
   (  resid 90   and name  HB# )

      2.800     1.000     0.000 peak   352 weight  1.00000E+00 volume  1.21688E+09 ppm1      8.253 ppm2      3.801
 ASSI {  354}
   (( resid 108  and name  HN  ))
   (( resid 107  and name  HA  ))

      4.000     2.200     0.000 peak   354 weight  1.00000E+00 volume  4.71966E+08 ppm1      8.003 ppm2      4.339
 ASSI {  355}
   (( resid 108  and name  HN  ))
   (( resid 108  and name  HA  ))

      4.000     2.200     0.000 peak   355 weight  1.00000E+00 volume  9.30103E+08 ppm1      7.999 ppm2      4.265
 ASSI {  361}
   (( resid 13   and name  HN  ))
   (( resid 13   and name  HA  ))

      4.000     2.200     0.000 peak   361 weight  1.00000E+00 volume  4.36178E+08 ppm1      8.591 ppm2      4.687
 ASSI {  374}
   (( resid 61   and name  HN  ))
   (( resid 61   and name  HB  ))

      2.800     1.000     0.000 peak   374 weight  1.00000E+00 volume  1.38853E+09 ppm1      7.987 ppm2      2.092
 ASSI {  380}
   (( resid 68   and name  HN  ))
   (( resid 67   and name  HA  ))

      3.500     1.000     0.000 peak   380 weight  1.00000E+00 volume  1.30788E+09 ppm1      8.339 ppm2      4.350
 ASSI {  387}
   (( resid 96   and name  HN  ))
   (( resid 96   and name  HA  ))

      2.800     1.000     0.000 peak   387 weight  1.00000E+00 volume  1.20305E+09 ppm1      8.241 ppm2      3.991
 ASSI {  390}
   (( resid 96   and name  HN  ))
   (( resid 96   and name  HB  ))

      2.800     1.000     0.000 peak   390 weight  1.00000E+00 volume  1.91261E+09 ppm1      8.241 ppm2      2.049
 ASSI {  391}
   (( resid 91   and name  HN  ))
   (  resid 91   and name  HG# )

      4.000     2.200     0.000 peak   391 weight  1.00000E+00 volume  2.53111E+09 ppm1      8.300 ppm2      0.960
 ASSI {  392}
   (( resid 96   and name  HN  ))
   (  resid 96   and name  HG# )

      4.000     2.200     0.000 peak   392 weight  1.00000E+00 volume  2.26680E+09 ppm1      8.241 ppm2      0.920
 ASSI {  396}
   (( resid 8    and name  HN  ))
   (( resid 8    and name  HB1 ))

      2.800     1.000     0.000 peak   396 weight  1.00000E+00 volume  1.30392E+09 ppm1      8.178 ppm2      1.835
 ASSI {  397}
   (( resid 8    and name  HN  ))
   (  resid 8    and name  HG# )

      4.000     2.200     0.000 peak   397 weight  1.00000E+00 volume  6.18472E+08 ppm1      8.176 ppm2      2.253
 ASSI {  398}
   (( resid 8    and name  HN  ))
   (( resid 8    and name  HA  ))

      2.800     1.000     0.000 peak   398 weight  1.00000E+00 volume  2.96212E+09 ppm1      8.179 ppm2      4.570
 ASSI {  399}
   (( resid 8    and name  HN  ))
   (( resid 8    and name  HB2 ))

      4.000     2.200     0.000 peak   399 weight  1.00000E+00 volume  9.19475E+08 ppm1      8.174 ppm2      2.007
 ASSI {  401}
   (( resid 17   and name  HN  ))
   (  resid 16   and name  HG# )

      4.000     2.200     0.000 peak   401 weight  1.00000E+00 volume  2.98746E+08 ppm1      7.755 ppm2      2.268
 ASSI {  402}
   (( resid 16   and name  HN  ))
   (  resid 16   and name  HG# )

      4.000     2.200     0.000 peak   402 weight  1.00000E+00 volume  7.77863E+08 ppm1      7.942 ppm2      2.274
 ASSI {  405}
   (( resid 16   and name  HN  ))
   (( resid 16   and name  HB2 ))

      4.000     2.200     0.000 peak   405 weight  1.00000E+00 volume  1.85005E+09 ppm1      7.940 ppm2      2.013
 ASSI {  408}
   (( resid 18   and name  HN  ))
   (  resid 18   and name  HB# )

      2.800     1.000     0.000 peak   408 weight  1.00000E+00 volume  2.13542E+09 ppm1      8.185 ppm2      1.879
 ASSI {  409}
   (( resid 18   and name  HN  ))
   (( resid 17   and name  HB  ))

      2.800     1.000     0.000 peak   409 weight  1.00000E+00 volume  1.20876E+09 ppm1      8.185 ppm2      2.028
 ASSI {  414}
   (( resid 18   and name  HN  ))
   (  resid 82   and name  HD1#)

      5.000     3.200     0.000 peak   414 weight  1.00000E+00 volume  3.88899E+08 ppm1      8.187 ppm2      0.859
 ASSI {  419}
   (( resid 19   and name  HN  ))
   (( resid 19   and name  HA  ))

      2.800     1.000     0.000 peak   419 weight  1.00000E+00 volume  1.22508E+09 ppm1      8.115 ppm2      4.457
 ASSI {  420}
   (( resid 19   and name  HN  ))
   (  resid 18   and name  HD# )

      5.000     3.200     0.000 peak   420 weight  1.00000E+00 volume  4.73577E+08 ppm1      8.114 ppm2      0.612
 ASSI {  426}
   (( resid 22   and name  HN  ))
   (( resid 21   and name  HA  ))

      4.000     2.200     0.000 peak   426 weight  1.00000E+00 volume  1.03446E+09 ppm1      8.504 ppm2      4.059
 ASSI {  430}
   (( resid 23   and name  HN  ))
   (( resid 22   and name  HB2 ))

      4.000     2.200     0.000 peak   430 weight  1.00000E+00 volume  1.16941E+09 ppm1      8.080 ppm2      3.003
 ASSI {  437}
   (( resid 22   and name  HN  ))
   (( resid 21   and name  HB1 ))

      4.000     2.200     0.000 peak   437 weight  1.00000E+00 volume  1.06984E+09 ppm1      8.502 ppm2      1.615
 ASSI {  442}
   (( resid 37   and name  HN  ))
   (  resid 37   and name  HB# )

      2.800     1.000     0.000 peak   442 weight  1.00000E+00 volume  1.57101E+09 ppm1      8.009 ppm2      2.828
 ASSI {  448}
   (( resid 29   and name  HN  ))
   (  resid 28   and name  HB# )

      2.800     1.000     0.000 peak   448 weight  1.00000E+00 volume  1.32034E+09 ppm1      8.072 ppm2      1.954
 ASSI {  449}
   (( resid 24   and name  HN  ))
   (( resid 23   and name  HB2 ))

      4.000     2.200     0.000 peak   449 weight  1.00000E+00 volume  1.06297E+09 ppm1      8.009 ppm2      2.171
 ASSI {  450}
   (( resid 24   and name  HN  ))
   (( resid 23   and name  HB1 ))

      2.800     1.000     0.000 peak   450 weight  1.00000E+00 volume  1.41236E+09 ppm1      8.009 ppm2      2.242
 ASSI {  453}
   (( resid 27   and name  HN  ))
   (( resid 27   and name  HB2 ))

      4.000     2.200     0.000 peak   453 weight  1.00000E+00 volume  1.16959E+09 ppm1      7.534 ppm2      1.889
 ASSI {  458}
   (( resid 27   and name  HN  ))
   (  resid 27   and name  HG# )

      4.000     2.200     0.000 peak   458 weight  1.00000E+00 volume  7.98860E+08 ppm1      7.533 ppm2      1.438
 ASSI {  461}
   (( resid 28   and name  HN  ))
   (( resid 27   and name  HB1 ))

      4.000     2.200     0.000 peak   461 weight  1.00000E+00 volume  4.94969E+08 ppm1      7.870 ppm2      1.711
 ASSI {  462}
   (( resid 28   and name  HN  ))
   (( resid 27   and name  HB2 ))

      4.000     2.200     0.000 peak   462 weight  1.00000E+00 volume  9.75657E+08 ppm1      7.872 ppm2      1.893
 ASSI {  463}
   (( resid 31   and name  HN  ))
   (( resid 30   and name  HA  ))

      4.000     2.200     0.000 peak   463 weight  1.00000E+00 volume  9.37904E+08 ppm1      8.442 ppm2      4.371
 ASSI {  464}
   (( resid 31   and name  HN  ))
   (  resid 31   and name  HB# )

      4.000     2.200     0.000 peak   464 weight  1.00000E+00 volume  5.04344E+08 ppm1      8.442 ppm2      2.705
 ASSI {  465}
   (( resid 32   and name  HN  ))
   (  resid 31   and name  HB# )

      5.000     3.200     0.000 peak   465 weight  1.00000E+00 volume  2.02685E+08 ppm1      8.297 ppm2      2.703
 ASSI {  466}
   (( resid 33   and name  HN  ))
   (( resid 32   and name  HA  ))

      4.000     2.200     0.000 peak   466 weight  1.00000E+00 volume  5.70730E+08 ppm1      7.988 ppm2      4.312
 ASSI {  468}
   (( resid 35   and name  HN  ))
   (  resid 34   and name  HB# )

      4.000     2.200     0.000 peak   468 weight  1.00000E+00 volume  1.54766E+09 ppm1      7.905 ppm2      1.566
 ASSI {  471}
   (( resid 36   and name  HN  ))
   (( resid 35   and name  HB  ))

      4.000     2.200     0.000 peak   471 weight  1.00000E+00 volume  5.21778E+08 ppm1      7.816 ppm2      2.101
 ASSI {  478}
   (( resid 42   and name  HN  ))
   (( resid 41   and name  HB1 ))

      5.000     3.200     0.000 peak   478 weight  1.00000E+00 volume  2.23514E+08 ppm1      8.355 ppm2      2.849
 ASSI {  479}
   (( resid 43   and name  HN  ))
   (( resid 42   and name  HA  ))

      4.000     2.200     0.000 peak   479 weight  1.00000E+00 volume  8.75481E+08 ppm1      8.011 ppm2      4.011
 ASSI {  482}
   (( resid 43   and name  HN  ))
   (( resid 43   and name  HB2 ))

      2.800     1.000     0.000 peak   482 weight  1.00000E+00 volume  1.72061E+09 ppm1      8.011 ppm2      1.992
 ASSI {  483}
   (( resid 44   and name  HN  ))
   (  resid 43   and name  HG# )

      4.000     2.200     0.000 peak   483 weight  1.00000E+00 volume  3.87433E+08 ppm1      7.896 ppm2      2.249
 ASSI {  484}
   (( resid 44   and name  HN  ))
   (( resid 43   and name  HB1 ))

      4.000     2.200     0.000 peak   484 weight  1.00000E+00 volume  6.48906E+08 ppm1      7.905 ppm2      2.073
 ASSI {  485}
   (( resid 44   and name  HN  ))
   (( resid 43   and name  HB2 ))

      4.000     2.200     0.000 peak   485 weight  1.00000E+00 volume  5.31767E+08 ppm1      7.898 ppm2      2.014
 ASSI {  491}
   (( resid 48   and name  HN  ))
   (( resid 48   and name  HB2 ))

      4.000     2.200     0.000 peak   491 weight  1.00000E+00 volume  8.23416E+08 ppm1      7.955 ppm2      2.036
 ASSI {  495}
   (( resid 50   and name  HN  ))
   (  resid 49   and name  HG# )

      4.000     2.200     0.000 peak   495 weight  1.00000E+00 volume  3.32199E+08 ppm1      7.705 ppm2      2.365
 ASSI {  502}
   (( resid 53   and name  HN  ))
   (( resid 52   and name  HA1 ))

      4.000     2.200     0.000 peak   502 weight  1.00000E+00 volume  9.37038E+08 ppm1      8.121 ppm2      4.243
 ASSI {  503}
   (( resid 54   and name  HN  ))
   (( resid 53   and name  HB1 ))

      4.000     2.200     0.000 peak   503 weight  1.00000E+00 volume  5.65750E+08 ppm1      8.496 ppm2      1.675
 ASSI {  504}
   (( resid 57   and name  HN  ))
   (( resid 56   and name  HA  ))

      4.000     2.200     0.000 peak   504 weight  1.00000E+00 volume  7.71234E+08 ppm1      8.090 ppm2      3.999
 ASSI {  506}
   (( resid 57   and name  HN  ))
   (( resid 54   and name  HA  ))

      4.000     2.200     0.000 peak   506 weight  1.00000E+00 volume  6.45703E+08 ppm1      8.090 ppm2      3.773
 ASSI {  515}
   (( resid 59   and name  HN  ))
   (  resid 59   and name  HG# )

      4.000     2.200     0.000 peak   515 weight  1.00000E+00 volume  7.71056E+08 ppm1      7.413 ppm2      1.399
 ASSI {  522}
   (( resid 60   and name  HN  ))
   (( resid 60   and name  HB1 ))

      2.800     1.000     0.000 peak   522 weight  1.00000E+00 volume  1.79297E+09 ppm1      7.725 ppm2      1.972
 ASSI {  523}
   (( resid 60   and name  HN  ))
   (( resid 60   and name  HB2 ))

      4.000     2.200     0.000 peak   523 weight  1.00000E+00 volume  1.65120E+09 ppm1      7.725 ppm2      1.854
 ASSI {  527}
   (( resid 61   and name  HN  ))
   (( resid 60   and name  HB1 ))

      4.000     2.200     0.000 peak   527 weight  1.00000E+00 volume  7.96293E+08 ppm1      7.986 ppm2      1.981
 ASSI {  528}
   (( resid 61   and name  HN  ))
   (( resid 60   and name  HB2 ))

      4.000     2.200     0.000 peak   528 weight  1.00000E+00 volume  5.47548E+08 ppm1      7.989 ppm2      1.830
 ASSI {  529}
   (( resid 61   and name  HN  ))
   (( resid 60   and name  HG  ))

      4.000     2.200     0.000 peak   529 weight  1.00000E+00 volume  4.93744E+08 ppm1      7.983 ppm2      1.515
 ASSI {  531}
   (( resid 63   and name  HN  ))
   (( resid 60   and name  HA  ))

      4.000     2.200     0.000 peak   531 weight  1.00000E+00 volume  5.67924E+08 ppm1      8.023 ppm2      4.117
 ASSI {  532}
   (( resid 64   and name  HN  ))
   (( resid 63   and name  HB1 ))

      4.000     2.200     0.000 peak   532 weight  1.00000E+00 volume  6.53367E+08 ppm1      8.275 ppm2      1.832
 ASSI {  546}
   (( resid 75   and name  HN  ))
   (( resid 74   and name  HG  ))

      4.000     2.200     0.000 peak   546 weight  1.00000E+00 volume  9.11372E+08 ppm1      8.644 ppm2      1.579
 ASSI {  548}
   (( resid 75   and name  HN  ))
   (  resid 74   and name  HD1#)

      4.000     2.200     0.000 peak   548 weight  1.00000E+00 volume  1.02316E+09 ppm1      8.643 ppm2      0.939
 ASSI {  549}
   (( resid 76   and name  HN  ))
   (( resid 73   and name  HA  ))

      4.000     2.200     0.000 peak   549 weight  1.00000E+00 volume  5.68739E+08 ppm1      8.005 ppm2      4.657
 ASSI {  550}
   (( resid 76   and name  HN  ))
   (( resid 75   and name  HA  ))

      4.000     2.200     0.000 peak   550 weight  1.00000E+00 volume  7.30655E+08 ppm1      8.008 ppm2      3.662
 ASSI {  551}
   (( resid 75   and name  HN  ))
   (( resid 75   and name  HB2 ))

      2.800     1.000     0.000 peak   551 weight  1.00000E+00 volume  2.24596E+09 ppm1      8.644 ppm2      1.740
! ASSI {  552}
!   (( resid 76   and name  HN  ))
 !  (( resid 75   and name  HB1 ))
!
!      2.800     1.000     0.000 peak   552 weight  1.00000E+00 volume  1.79599E+09 ppm1      8.006 ppm2      1.875
 ASSI {  554}
   (( resid 85   and name  HN  ))
   (( resid 84   and name  HB1 ))

      4.000     2.200     0.000 peak   554 weight  1.00000E+00 volume  9.63732E+08 ppm1      8.051 ppm2      1.824
 ASSI {  556}
   (( resid 78   and name  HN  ))
   (( resid 75   and name  HA  ))

      4.000     2.200     0.000 peak   556 weight  1.00000E+00 volume  4.65226E+08 ppm1      8.538 ppm2      3.667
 ASSI {  564}
   (( resid 80   and name  HN  ))
   (( resid 79   and name  HB2 ))

      4.000     2.200     0.000 peak   564 weight  1.00000E+00 volume  5.55932E+08 ppm1      8.288 ppm2      2.175
 ASSI {  566}
   (( resid 81   and name  HN  ))
   (( resid 78   and name  HA  ))

      4.000     2.200     0.000 peak   566 weight  1.00000E+00 volume  6.79995E+08 ppm1      7.759 ppm2      3.468
 ASSI {  567}
   (( resid 81   and name  HN  ))
   (  resid 81   and name  HB# )

      2.800     1.000     0.000 peak   567 weight  1.00000E+00 volume  2.60446E+09 ppm1      7.757 ppm2      2.013
 ASSI {  568}
   (( resid 81   and name  HN  ))
   (  resid 81   and name  HG# )

      4.000     2.200     0.000 peak   568 weight  1.00000E+00 volume  1.14240E+09 ppm1      7.758 ppm2      1.779
 ASSI {  569}
   (( resid 83   and name  HN  ))
   (( resid 82   and name  HG  ))

      4.000     2.200     0.000 peak   569 weight  1.00000E+00 volume  8.59853E+08 ppm1      8.656 ppm2      1.523
 ASSI {  573}
   (( resid 91   and name  HN  ))
   (  resid 90   and name  HB# )

      4.000     2.200     0.000 peak   573 weight  1.00000E+00 volume  1.08317E+09 ppm1      8.300 ppm2      3.806
 ASSI {  581}
   (( resid 85   and name  HN  ))
   (( resid 84   and name  HA  ))

      4.000     2.200     0.000 peak   581 weight  1.00000E+00 volume  1.01828E+09 ppm1      8.050 ppm2      3.997
 ASSI {  583}
   (( resid 85   and name  HN  ))
   (( resid 84   and name  HB2 ))

      2.800     1.000     0.000 peak   583 weight  1.00000E+00 volume  1.29819E+09 ppm1      8.052 ppm2      1.993
 ASSI {  585}
   (( resid 86   and name  HN  ))
   (( resid 83   and name  HA  ))

      4.000     2.200     0.000 peak   585 weight  1.00000E+00 volume  6.61042E+08 ppm1      8.479 ppm2      4.365
 ASSI {  589}
   (( resid 87   and name  HN  ))
   (( resid 86   and name  HB1 ))

      4.000     2.200     0.000 peak   589 weight  1.00000E+00 volume  1.02700E+09 ppm1      7.696 ppm2      1.819
 ASSI {  590}
   (( resid 87   and name  HN  ))
   (( resid 86   and name  HG2 ))

      4.000     2.200     0.000 peak   590 weight  1.00000E+00 volume  5.42139E+08 ppm1      7.696 ppm2      1.637
 ASSI {  591}
   (( resid 88   and name  HN  ))
   (( resid 85   and name  HA  ))

      4.000     2.200     0.000 peak   591 weight  1.00000E+00 volume  3.04998E+08 ppm1      7.854 ppm2      3.646
 ASSI {  596}
   (( resid 90   and name  HN  ))
   (( resid 89   and name  HG2 ))

      5.000     3.200     0.000 peak   596 weight  1.00000E+00 volume  2.05351E+08 ppm1      8.249 ppm2      2.355
 ASSI {  597}
   (( resid 90   and name  HN  ))
   (( resid 89   and name  HG1 ))

      5.000     3.200     0.000 peak   597 weight  1.00000E+00 volume  2.64389E+08 ppm1      8.257 ppm2      2.269
 ASSI {  599}
   (( resid 58   and name  HN  ))
   (  resid 58   and name  HD# )

      4.000     2.200     0.000 peak   599 weight  1.00000E+00 volume  8.38956E+08 ppm1      7.904 ppm2      1.571
 ASSI {  602}
   (( resid 93   and name  HN  ))
   (  resid 93   and name  HG# )

      2.800     1.000     0.000 peak   602 weight  1.00000E+00 volume  1.74879E+09 ppm1      8.519 ppm2      2.259
 ASSI {  603}
   (( resid 93   and name  HN  ))
   (( resid 93   and name  HB2 ))

      4.000     2.200     0.000 peak   603 weight  1.00000E+00 volume  1.99869E+09 ppm1      8.518 ppm2      1.987
 ASSI {  604}
   (( resid 94   and name  HN  ))
   (( resid 93   and name  HA  ))

      4.000     2.200     0.000 peak   604 weight  1.00000E+00 volume  7.48487E+08 ppm1      7.877 ppm2      4.169
 ASSI {  607}
   (( resid 70   and name  HN  ))
   (( resid 69   and name  HA  ))

      4.000     2.200     0.000 peak   607 weight  1.00000E+00 volume  4.74585E+09 ppm1      8.192 ppm2      4.592
 ASSI {  608}
   (( resid 51   and name  HN  ))
   (  resid 50   and name  HD# )

      4.000     2.200     0.000 peak   608 weight  1.00000E+00 volume  5.18155E+08 ppm1      6.927 ppm2      1.635
 ASSI {  609}
   (( resid 11   and name  HN  ))
   (( resid 10   and name  HA  ))

      4.000     2.200     0.000 peak   609 weight  1.00000E+00 volume  4.15538E+08 ppm1      8.392 ppm2      4.654
 ASSI {  612}
   (( resid 15   and name  HN  ))
   (( resid 15   and name  HA  ))

      5.000     3.200     0.000 peak   612 weight  1.00000E+00 volume  2.60911E+08 ppm1      8.518 ppm2      4.373
 ASSI {  615}
   (( resid 20   and name  HN  ))
   (( resid 17   and name  HA  ))

      5.000     3.200     0.000 peak   615 weight  1.00000E+00 volume  5.69198E+08 ppm1      8.215 ppm2      3.850
 ASSI {  618}
   (( resid 23   and name  HN  ))
   (( resid 20   and name  HA  ))

      4.000     2.200     0.000 peak   618 weight  1.00000E+00 volume  5.37912E+08 ppm1      8.078 ppm2      4.638
 ASSI {  619}
   (( resid 23   and name  HN  ))
   (( resid 19   and name  HA  ))

      4.000     2.200     0.000 peak   619 weight  1.00000E+00 volume  4.37866E+08 ppm1      8.083 ppm2      4.459
 ASSI {  621}
   (( resid 25   and name  HN  ))
   (( resid 24   and name  HA  ))

      4.000     2.200     0.000 peak   621 weight  1.00000E+00 volume  5.34074E+08 ppm1      8.115 ppm2      4.213
 ASSI {  626}
   (( resid 26   and name  HN  ))
   (( resid 23   and name  HA  ))

      4.000     2.200     0.000 peak   626 weight  1.00000E+00 volume  2.76539E+08 ppm1      8.650 ppm2      4.070
 ASSI {  627}
   (( resid 26   and name  HN  ))
   (( resid 25   and name  HA  ))

      5.000     3.200     0.000 peak   627 weight  1.00000E+00 volume  2.34599E+08 ppm1      8.652 ppm2      3.754
 ASSI {  628}
   (( resid 29   and name  HN  ))
   (( resid 28   and name  HA  ))

      4.000     2.200     0.000 peak   628 weight  1.00000E+00 volume  1.03087E+09 ppm1      8.068 ppm2      3.856
 ASSI {  638}
   (( resid 52   and name  HN  ))
   (( resid 51   and name  HB1 ))

      5.000     3.200     0.000 peak   638 weight  1.00000E+00 volume  2.72659E+08 ppm1      7.938 ppm2      3.472
 ASSI {  644}
   (( resid 55   and name  HN  ))
   (( resid 54   and name  HA  ))

      5.000     3.200     0.000 peak   644 weight  1.00000E+00 volume  2.55904E+08 ppm1      8.336 ppm2      3.769
 ASSI {  645}
   (( resid 56   and name  HN  ))
   (( resid 53   and name  HA  ))

      4.000     2.200     0.000 peak   645 weight  1.00000E+00 volume  3.49744E+08 ppm1      8.379 ppm2      4.556
 ASSI {  647}
   (( resid 59   and name  HN  ))
   (( resid 57   and name  HA  ))

      4.000     2.200     0.000 peak   647 weight  1.00000E+00 volume  3.30357E+08 ppm1      7.416 ppm2      3.520
 ASSI {  654}
   (( resid 77   and name  HN  ))
   (( resid 73   and name  HA  ))

      4.000     2.200     0.000 peak   654 weight  1.00000E+00 volume  3.35887E+08 ppm1      8.117 ppm2      4.661
 ASSI {  657}
   (( resid 87   and name  HN  ))
   (( resid 83   and name  HA  ))

      4.000     2.200     0.000 peak   657 weight  1.00000E+00 volume  2.86920E+08 ppm1      7.697 ppm2      4.356
 ASSI {  658}
   (( resid 89   and name  HN  ))
   (( resid 88   and name  HA2 ))

      4.000     2.200     0.000 peak   658 weight  1.00000E+00 volume  1.04125E+09 ppm1      7.900 ppm2      4.075
 ASSI {  659}
   (( resid 87   and name  HN  ))
   (( resid 85   and name  HA  ))

      5.000     3.200     0.000 peak   659 weight  1.00000E+00 volume  2.69298E+08 ppm1      7.701 ppm2      3.638
 ASSI {  662}
   (( resid 97   and name  HN  ))
   (( resid 94   and name  HA  ))

      4.000     2.200     0.000 peak   662 weight  1.00000E+00 volume  2.82606E+08 ppm1      8.418 ppm2      4.598
 ASSI {  678}
   (( resid 69   and name  HN  ))
   (  resid 70   and name  HG# )

      5.000     3.200     0.000 peak   678 weight  1.00000E+00 volume  4.62492E+08 ppm1      8.288 ppm2      0.942
 ASSI {  680}
   (( resid 63   and name  HN  ))
   (( resid 61   and name  HA  ))

      4.000     2.200     0.000 peak   680 weight  1.00000E+00 volume  5.41128E+08 ppm1      8.025 ppm2      3.964
 ASSI {  684}
   (( resid 55   and name  HN  ))
   (( resid 58   and name  HG2 ))

      4.000     2.200     0.000 peak   684 weight  1.00000E+00 volume  2.96241E+08 ppm1      8.334 ppm2      1.341
 ASSI {  688}
   (( resid 54   and name  HN  ))
   (( resid 49   and name  HA  ))

      4.000     2.200     0.000 peak   688 weight  1.00000E+00 volume  6.28547E+08 ppm1      8.496 ppm2      4.305
 ASSI {  689}
   (( resid 52   and name  HN  ))
   (( resid 51   and name  HB2 ))

      4.000     2.200     0.000 peak   689 weight  1.00000E+00 volume  3.86361E+08 ppm1      7.938 ppm2      2.388
 ASSI {  695}
   (( resid 38   and name  HN  ))
   (  resid 37   and name  HB# )

      4.000     2.200     0.000 peak   695 weight  1.00000E+00 volume  7.81202E+08 ppm1      8.260 ppm2      2.834
 ASSI {  700}
   (( resid 25   and name  HN  ))
   (  resid 24   and name  HB# )

      4.000     2.200     0.000 peak   700 weight  1.00000E+00 volume  9.36547E+08 ppm1      8.112 ppm2      3.034
 ASSI {  701}
   (( resid 22   and name  HN  ))
   (  resid 82   and name  HD1#)

      4.000     2.200     0.000 peak   701 weight  1.00000E+00 volume  1.04681E+09 ppm1      8.505 ppm2      0.866
 ASSI {  704}
   (( resid 10   and name  HN  ))
   (( resid 9    and name  HA  ))

      4.000     2.200     0.000 peak   704 weight  1.00000E+00 volume  4.97913E+08 ppm1      8.406 ppm2      4.378
 ASSI {  705}
   (( resid 55   and name  HN  ))
   (  resid 55   and name  HG# )

      4.000     2.200     0.000 peak   705 weight  1.00000E+00 volume  8.65770E+08 ppm1      8.332 ppm2      2.424
 ASSI {  706}
   (( resid 55   and name  HN  ))
   (  resid 55   and name  HB# )

      2.800     1.000     0.000 peak   706 weight  1.00000E+00 volume  2.50755E+09 ppm1      8.333 ppm2      2.054
 ASSI {  707}
   (( resid 55   and name  HN  ))
   (( resid 54   and name  HB2 ))

      4.000     2.200     0.000 peak   707 weight  1.00000E+00 volume  5.18769E+08 ppm1      8.335 ppm2      1.855
 ASSI {  708}
   (( resid 22   and name  HN  ))
   (  resid 21   and name  HD1#)

      5.000     3.200     0.000 peak   708 weight  1.00000E+00 volume  6.18667E+08 ppm1      8.505 ppm2      0.739
 ASSI {  711}
   (( resid 28   and name  HN  ))
   (  resid 28   and name  HB# )

      2.800     1.000     0.000 peak   711 weight  1.00000E+00 volume  1.38977E+09 ppm1      7.869 ppm2      1.958
 ASSI {  713}
   (( resid 31   and name  HN  ))
   (( resid 31   and name  HA  ))

      4.000     2.200     0.000 peak   713 weight  1.00000E+00 volume  3.62487E+08 ppm1      8.436 ppm2      4.536
 ASSI {  719}
   (( resid 38   and name  HN  ))
   (( resid 38   and name  HG2 ))

      4.000     2.200     0.000 peak   719 weight  1.00000E+00 volume  6.55770E+08 ppm1      8.261 ppm2      2.232
 ASSI {  720}
   (( resid 42   and name  HN  ))
   (  resid 42   and name  HB# )

      2.800     1.000     0.000 peak   720 weight  1.00000E+00 volume  1.45343E+09 ppm1      8.355 ppm2      2.064
 ASSI {  721}
   (( resid 38   and name  HN  ))
   (  resid 38   and name  HB# )

      2.800     1.000     0.000 peak   721 weight  1.00000E+00 volume  1.98906E+09 ppm1      8.261 ppm2      1.998
 ASSI {  724}
   (( resid 42   and name  HN  ))
   (  resid 42   and name  HG# )

      4.000     2.200     0.000 peak   724 weight  1.00000E+00 volume  3.49282E+08 ppm1      8.355 ppm2      2.327
 ASSI {  728}
   (( resid 50   and name  HN  ))
   (( resid 49   and name  HA  ))

      4.000     2.200     0.000 peak   728 weight  1.00000E+00 volume  1.01649E+09 ppm1      7.701 ppm2      4.304
 ASSI {  732}
   (( resid 51   and name  HN  ))
   (  resid 50   and name  HB# )

      4.000     2.200     0.000 peak   732 weight  1.00000E+00 volume  3.33335E+08 ppm1      6.917 ppm2      1.764
 ASSI {  733}
   (( resid 51   and name  HN  ))
   (  resid 53   and name  HD1#)

      5.000     3.200     0.000 peak   733 weight  1.00000E+00 volume  3.70304E+08 ppm1      6.919 ppm2      0.749
 ASSI {  734}
   (( resid 52   and name  HN  ))
   (  resid 53   and name  HD1#)

      6.000     4.200     0.000 peak   734 weight  1.00000E+00 volume  2.41851E+08 ppm1      7.937 ppm2      0.752
 ASSI {  735}
   (( resid 54   and name  HN  ))
   (  resid 49   and name  HG# )

      4.000     2.200     0.000 peak   735 weight  1.00000E+00 volume  4.12167E+08 ppm1      8.496 ppm2      2.357
 ASSI {  737}
   (( resid 54   and name  HN  ))
   (  resid 54   and name  HG# )

      2.800     1.000     0.000 peak   737 weight  1.00000E+00 volume  1.37187E+09 ppm1      8.496 ppm2      2.100
 ASSI {  738}
   (( resid 54   and name  HN  ))
   (  resid 54   and name  HB# )

      4.000     2.200     0.000 peak   738 weight  1.00000E+00 volume  1.07089E+09 ppm1      8.493 ppm2      1.854
 ASSI {  742}
   (( resid 58   and name  HN  ))
   (  resid 57   and name  HG1#)

      5.000     3.200     0.000 peak   742 weight  1.00000E+00 volume  6.54288E+08 ppm1      7.903 ppm2      1.073
 ASSI {  745}
   (( resid 93   and name  HN  ))
   (( resid 93   and name  HB1 ))

      4.000     2.200     0.000 peak   745 weight  1.00000E+00 volume  2.30287E+09 ppm1      8.519 ppm2      1.889
 ASSI {  746}
   (( resid 63   and name  HN  ))
   (( resid 63   and name  HB2 ))

      4.000     2.200    0.000 peak   746 weight  1.00000E+00 volume  2.22855E+09 ppm1      8.024 ppm2      1.884
 ASSI {  751}
   (( resid 85   and name  HN  ))
   (  resid 18   and name  HD# )

      6.000     4.200     0.000 peak   751 weight  1.00000E+00 volume  2.64496E+08 ppm1      8.055 ppm2      0.613
 ASSI {  752}
   (( resid 21   and name  HN  ))
   (  resid 18   and name  HD# )

      6.000     4.200     0.000 peak   752 weight  1.00000E+00 volume  2.23989E+08 ppm1      8.480 ppm2      0.614
 ASSI {  753}
   (( resid 22   and name  HN  ))
   (  resid 18   and name  HD# )

      6.000     4.200     0.000 peak   753 weight  1.00000E+00 volume  2.67701E+08 ppm1      8.507 ppm2      0.621
 ASSI {  754}
   (( resid 15   and name  HN  ))
   (  resid 18   and name  HD# )

      6.000     4.200     0.000 peak   754 weight  1.00000E+00 volume  1.86930E+08 ppm1      8.517 ppm2      0.618
 ASSI {  765}
   (( resid 26   and name  HN  ))
   (  resid 25   and name  HD1#)

      6.000     4.200     0.000 peak   765 weight  1.00000E+00 volume  2.28888E+08 ppm1      8.659 ppm2      1.243
 ASSI {  770}
   (( resid 49   and name  HN  ))
   (( resid 9    and name  HD1 ))

      5.000     3.200     0.000 peak   770 weight  1.00000E+00 volume  2.17151E+08 ppm1      8.831 ppm2      3.789
 ASSI {  773}
   (( resid 42   and name  HN  ))
   (( resid 41   and name  HA  ))

      4.000     2.200     0.000 peak   773 weight  1.00000E+00 volume  3.86231E+08 ppm1      8.352 ppm2      4.245
 ASSI {  774}
   (( resid 38   and name  HN  ))
   (( resid 38   and name  HG2 ))

      4.000     2.200     0.000 peak   774 weight  1.00000E+00 volume  6.44337E+08 ppm1      8.263 ppm2      2.114
 ASSI {  775}
   (( resid 36   and name  HN  ))
   (  resid 36   and name  HD# )

      4.000     2.200     0.000 peak   775 weight  1.00000E+00 volume  3.10706E+08 ppm1      7.812 ppm2      1.622
 ASSI {  777}
   (( resid 34   and name  HN  ))
   (( resid 33   and name  HA  ))

      4.000     2.200     0.000 peak   777 weight  1.00000E+00 volume  5.11689E+08 ppm1      8.184 ppm2      4.711
 ASSI {  778}
   (( resid 15   and name  HN  ))
   (( resid 14   and name  HA  ))

      4.000     2.200     0.000 peak   778 weight  1.00000E+00 volume  5.07085E+08 ppm1      8.520 ppm2      4.883
 ASSI {  782}
   (( resid 15   and name  HN  ))
   (( resid 14   and name  HB1 ))

      4.000     2.200     0.000 peak   782 weight  1.00000E+00 volume  3.33993E+08 ppm1      8.516 ppm2      3.178
 ASSI {  783}
   (( resid 15   and name  HN  ))
   (( resid 14   and name  HB2 ))

      4.000     2.200     0.000 peak   783 weight  1.00000E+00 volume  2.74825E+08 ppm1      8.518 ppm2      3.214
 ASSI {  787}
   (( resid 51   and name  HN  ))
   (( resid 51   and name  HA  ))

      4.000     2.200     0.000 peak   787 weight  1.00000E+00 volume  9.40103E+08 ppm1      6.918 ppm2      4.767
 ASSI {  788}
   (( resid 12   and name  HN  ))
   (( resid 11   and name  HG2 ))

      5.000     3.200     0.000 peak   788 weight  1.00000E+00 volume  2.54700E+08 ppm1      8.359 ppm2      2.206
 ASSI {  791}
   (( resid 12   and name  HN  ))
   (( resid 11   and name  HB1 ))

      4.000     2.200     0.000 peak   791 weight  1.00000E+00 volume  4.61454E+08 ppm1      8.356 ppm2      2.030
 ASSI {  792}
   (( resid 28   and name  HN  ))
   (  resid 28   and name  HG# )

      4.000     2.200     0.000 peak   792 weight  1.00000E+00 volume  1.16067E+09 ppm1      7.869 ppm2      2.099
 ASSI {  808}
   (( resid 81   and name  HN  ))
   (  resid 53   and name  HD2#)

      5.000     3.200     0.000 peak   808 weight  1.00000E+00 volume  6.00167E+08 ppm1      7.758 ppm2      0.874
 ASSI {  812}
   (( resid 58   and name  HN  ))
   (  resid 58   and name  HE# )

      5.000     3.200     0.000 peak   812 weight  1.00000E+00 volume  2.02127E+08 ppm1      7.905 ppm2      2.814
 ASSI {  816}
   (( resid 56   and name  HN  ))
   (  resid 55   and name  HG# )

      5.000     3.200     0.000 peak   816 weight  1.00000E+00 volume  1.98504E+08 ppm1      8.374 ppm2      2.432
 ASSI {  821}
   (( resid 32   and name  HN  ))
   (( resid 31   and name  HA  ))

      5.000     3.200     0.000 peak   821 weight  1.00000E+00 volume  1.83130E+08 ppm1      8.298 ppm2      4.536
 ASSI {  823}
   (( resid 35   and name  HN  ))
   (( resid 36   and name  HN  ))

      2.800     1.000     0.000 peak   823 weight  1.00000E+00 volume  1.54800E+09 ppm1      7.905 ppm2      7.810
 ASSI {  825}
   (( resid 37   and name  HN  ))
   (( resid 37   and name  HA  ))

      2.800     1.000     0.000 peak   825 weight  1.00000E+00 volume  2.28644E+09 ppm1      8.007 ppm2      4.171
 ASSI {  827}
   (( resid 24   and name  HN  ))
   (( resid 23   and name  HG2 ))

      5.000     3.200     0.000 peak   827 weight  1.00000E+00 volume  2.72076E+08 ppm1      8.011 ppm2      2.504
 ASSI {  828}
   (( resid 24   and name  HN  ))
   (( resid 23   and name  HG1 ))

      4.000     2.200     0.000 peak   828 weight  1.00000E+00 volume  4.34041E+08 ppm1      8.008 ppm2      2.396
 ASSI {  830}
   (( resid 17   and name  HN  ))
   (( resid 14   and name  HA  ))

      4.000     2.200     0.000 peak   830 weight  1.00000E+00 volume  3.65258E+08 ppm1      7.752 ppm2      4.885
 ASSI {  836}
   (( resid 42   and name  HN  ))
   (( resid 39   and name  HA  ))

      4.000     2.200     0.000 peak   836 weight  1.00000E+00 volume  2.83399E+08 ppm1      8.353 ppm2      4.434
 ASSI {  838}
   (( resid 86   and name  HN  ))
   (( resid 85   and name  HA  ))

      4.000     2.200     0.000 peak   838 weight  1.00000E+00 volume  8.20639E+08 ppm1      8.481 ppm2      3.636
 ASSI {  839}
   (( resid 73   and name  HN  ))
   (( resid 73   and name  HA  ))

      4.000     2.200     0.000 peak   839 weight  1.00000E+00 volume  3.94422E+08 ppm1      8.304 ppm2      4.665
 ASSI {  840}
   (( resid 64   and name  HN  ))
   (( resid 61   and name  HA  ))

      5.000     3.200     0.000 peak   840 weight  1.00000E+00 volume  2.51454E+08 ppm1      8.279 ppm2      3.985
 ASSI {  841}
   (( resid 61   and name  HN  ))
   (( resid 58   and name  HA  ))

      4.000     2.200     0.000 peak   841 weight  1.00000E+00 volume  3.10590E+08 ppm1      7.985 ppm2      3.610
 ASSI {  847}
   (( resid 45   and name  HN  ))
   (( resid 44   and name  HA  ))

      4.000     2.200     0.000 peak   847 weight  1.00000E+00 volume  8.36398E+08 ppm1      8.093 ppm2      4.480
 ASSI {  849}
   (( resid 45   and name  HN  ))
   (( resid 42   and name  HA  ))

      4.000     2.200     0.000 peak   849 weight  1.00000E+00 volume  4.26585E+08 ppm1      8.092 ppm2      4.019
 ASSI {  854}
   (( resid 34   and name  HN  ))
   (( resid 31   and name  HA  ))

      4.000     2.200     0.000 peak   854 weight  1.00000E+00 volume  3.77491E+08 ppm1      8.181 ppm2      4.543
 ASSI {  856}
   (( resid 27   and name  HN  ))
   (( resid 25   and name  HA  ))

      5.000     3.200     0.000 peak   856 weight  1.00000E+00 volume  2.03495E+08 ppm1      7.536 ppm2      3.765
 ASSI {  857}
   (( resid 27   and name  HN  ))
   (( resid 28   and name  HA  ))

      5.000     3.200     0.000 peak   857 weight  1.00000E+00 volume  1.54207E+08 ppm1      7.531 ppm2      3.855
 ASSI {  858}
   (( resid 25   and name  HN  ))
   (( resid 22   and name  HA  ))

      4.000     2.200     0.000 peak   858 weight  1.00000E+00 volume  4.91540E+08 ppm1      8.113 ppm2      3.627
 ASSI {  861}
   (( resid 19   and name  HN  ))
   (  resid 15   and name  HB# )

      4.000     2.200     0.000 peak   861 weight  1.00000E+00 volume  5.08685E+08 ppm1      8.119 ppm2      3.954
 ASSI {  862}
   (( resid 18   and name  HN  ))
   (  resid 15   and name  HB# )

      5.000     2.200     0.000 peak   862 weight  1.00000E+00 volume  5.65958E+08 ppm1      8.185 ppm2      3.956
 ASSI {  863}
   (( resid 18   and name  HN  ))
   (( resid 14   and name  HA  ))

      5.000     3.200     0.000 peak   863 weight  1.00000E+00 volume  2.60324E+08 ppm1      8.193 ppm2      4.877
 ASSI {  865}
   (( resid 16   and name  HN  ))
   (( resid 14   and name  HA  ))

      5.000     3.200     0.000 peak   865 weight  1.00000E+00 volume  2.23820E+08 ppm1      7.944 ppm2      4.871
 ASSI {  870}
   (( resid 107  and name  HN  ))
   (( resid 104  and name  HA  ))

      4.000     2.200     0.000 peak   870 weight  1.00000E+00 volume  4.96660E+08 ppm1      8.470 ppm2      4.610
 ASSI {  871}
   (( resid 85   and name  HN  ))
   (( resid 81   and name  HA  ))

      4.000     2.200     0.000 peak   871 weight  1.00000E+00 volume  4.77165E+08 ppm1      8.052 ppm2      4.221
 ASSI {  872}
   (( resid 82   and name  HN  ))
   (( resid 78   and name  HA  ))

      4.000     2.200     0.000 peak   872 weight  1.00000E+00 volume  2.87031E+08 ppm1      8.582 ppm2      3.478
 ASSI {  877}
   (( resid 74   and name  HN  ))
   (( resid 70   and name  HA  ))

      5.000     3.200     0.000 peak   877 weight  1.00000E+00 volume  1.38229E+08 ppm1      7.594 ppm2      4.350
 ASSI {  878}
   (( resid 83   and name  HN  ))
   (( resid 85   and name  HN  ))

      4.000     2.200     0.000 peak   878 weight  1.00000E+00 volume  2.74029E+08 ppm1      8.657 ppm2      8.058
 ASSI {  897}
   (( resid 58   and name  HN  ))
   (  resid 41   and name  HD# )

      5.000     3.200     0.000 peak   897 weight  1.00000E+00 volume  4.11863E+08 ppm1      7.902 ppm2      7.078
 ASSI {  898}
   (( resid 88   and name  HN  ))
   (( resid 86   and name  HN  ))

      5.000     3.200     0.000 peak   898 weight  1.00000E+00 volume  1.93272E+08 ppm1      7.859 ppm2      8.477
 ASSI {  904}
   (( resid 86   and name  HN  ))
   (( resid 84   and name  HN  ))

      5.000     3.200     0.000 peak   904 weight  1.00000E+00 volume  2.48942E+08 ppm1      8.478 ppm2      7.490
 ASSI {  907}
   (( resid 85   and name  HN  ))
   (( resid 87   and name  HN  ))

      4.000     2.200     0.000 peak   907 weight  1.00000E+00 volume  3.66974E+08 ppm1      8.050 ppm2      7.692
 ASSI {  911}
   (( resid 82   and name  HN  ))
   (( resid 84   and name  HN  ))

      5.000     3.200     0.000 peak   911 weight  1.00000E+00 volume  1.96933E+08 ppm1      8.581 ppm2      7.498
 ASSI {  919}
   (( resid 79   and name  HN  ))
   (( resid 77   and name  HN  ))

      4.000     2.200     0.000 peak   919 weight  1.00000E+00 volume  3.24971E+08 ppm1      8.630 ppm2      8.108
 ASSI {  920}
   (( resid 79   and name  HN  ))
   (( resid 81   and name  HN  ))

      5.000     3.200     0.000 peak   920 weight  1.00000E+00 volume  2.64440E+08 ppm1      8.626 ppm2      7.755
 ASSI {  922}
   (( resid 78   and name  HN  ))
   (( resid 80   and name  HN  ))

      5.000     3.200     0.000 peak   922 weight  1.00000E+00 volume  2.69158E+08 ppm1      8.540 ppm2      8.293
 ASSI {  933}
   (( resid 74   and name  HN  ))
   (( resid 76   and name  HN  ))

      4.000     2.200     0.000 peak   933 weight  1.00000E+00 volume  1.18761E+08 ppm1      7.595 ppm2      7.997
 ASSI {  936}
   (( resid 73   and name  HN  ))
   (( resid 74   and name  HN  ))

      5.000     3.200     0.000 peak   936 weight  1.00000E+00 volume  1.41779E+08 ppm1      8.307 ppm2      7.598
 ASSI {  946}
   (( resid 78   and name  HN  ))
   (( resid 76   and name  HN  ))

      4.000     2.200     0.000 peak   946 weight  1.00000E+00 volume  1.82002E+08 ppm1      8.541 ppm2      8.010
 ASSI {  953}
   (( resid 83   and name  HN  ))
   (( resid 81   and name  HN  ))

      4.000     2.200     0.000 peak   953 weight  1.00000E+00 volume  2.23189E+08 ppm1      8.661 ppm2      7.765
 ASSI {  954}
   (( resid 83   and name  HN  ))
   (( resid 82   and name  HN  ))

      2.800     1.000     0.000 peak   954 weight  1.00000E+00 volume  1.83880E+09 ppm1      8.658 ppm2      8.570
 ASSI {  961}
   (( resid 75   and name  HN  ))
   (( resid 77   and name  HN  ))

      5.000     3.200     0.000 peak   961 weight  1.00000E+00 volume  2.22416E+08 ppm1      8.644 ppm2      8.111
 ASSI {  964}
   (( resid 64   and name  HN  ))
   (( resid 62   and name  HN  ))

      5.000     3.200     0.000 peak   964 weight  1.00000E+00 volume  1.19726E+08 ppm1      8.277 ppm2      7.709
 ASSI {  966}
   (( resid 61   and name  HN  ))
   (( resid 59   and name  HN  ))

      4.000     2.200     0.000 peak   966 weight  1.00000E+00 volume  2.06461E+08 ppm1      7.990 ppm2      7.411
 ASSI {  973}
   (( resid 58   and name  HN  ))
   (( resid 56   and name  HN  ))

      4.000     2.200     0.000 peak   973 weight  1.00000E+00 volume  3.60334E+08 ppm1      7.903 ppm2      8.363
 ASSI {  980}
   (( resid 56   and name  HN  ))
   (( resid 54   and name  HN  ))

      4.000     2.200     0.000 peak   980 weight  1.00000E+00 volume  8.50058E+08 ppm1      8.379 ppm2      8.477
 ASSI {  982}
   (( resid 54   and name  HN  ))
   (( resid 52   and name  HN  ))

      4.000     2.200     0.000 peak   982 weight  1.00000E+00 volume  1.34514E+08 ppm1      8.495 ppm2      7.937
 ASSI {  988}
   (( resid 53   and name  HN  ))
   (( resid 51   and name  HN  ))

      4.000     2.200     0.000 peak   988 weight  1.00000E+00 volume  6.68917E+08 ppm1      8.123 ppm2      6.935
 ASSI {  997}
   (( resid 49   and name  HN  ))
   (( resid 47   and name  HN  ))

      5.000     3.200     0.000 peak   997 weight  1.00000E+00 volume  1.75449E+08 ppm1      8.834 ppm2      8.127
 ASSI {  998}
   (( resid 49   and name  HN  ))
   (( resid 51   and name  HN  ))

      5.000     3.200     0.000 peak   998 weight  1.00000E+00 volume  1.17459E+08 ppm1      8.838 ppm2      6.939
 ASSI { 1007}
   (( resid 42   and name  HN  ))
   (  resid 41   and name  HD# )

      6.000     4.200     0.000 peak  1007 weight  1.00000E+00 volume  1.48261E+08 ppm1      8.350 ppm2      7.054
 ASSI { 1008}
   (( resid 42   and name  HN  ))
   (( resid 41   and name  HN  ))

      4.000     2.200     0.000 peak  1008 weight  1.00000E+00 volume  5.86615E+08 ppm1      8.350 ppm2      8.508
 ASSI { 1012}
   (( resid 24   and name  HN  ))
   (( resid 25   and name  HN  ))

      2.500     0.700     0.000 peak  1012 weight  1.00000E+00 volume  3.77131E+09 ppm1      8.008 ppm2      8.097
 ASSI { 1016}
   (( resid 35   and name  HN  ))
   (( resid 37   and name  HN  ))

      4.000     2.200     0.000 peak  1016 weight  1.00000E+00 volume  9.62008E+08 ppm1      7.904 ppm2      8.007
 ASSI { 1017}
   (( resid 32   and name  HN  ))
   (( resid 31   and name  HN  ))

      5.000     3.200     0.000 peak  1017 weight  1.00000E+00 volume  1.43901E+08 ppm1      8.306 ppm2      8.441
 ASSI { 1027}
   (( resid 25   and name  HN  ))
   (( resid 27   and name  HN  ))

      5.000     3.200     0.000 peak  1027 weight  1.00000E+00 volume  2.04505E+08 ppm1      8.115 ppm2      7.530
 ASSI { 1030}
   (( resid 24   and name  HN  ))
   (( resid 26   and name  HN  ))

      4.000     2.200     0.000 peak  1030 weight  1.00000E+00 volume  3.31367E+08 ppm1      8.008 ppm2      8.673
 ASSI { 1031}
   (( resid 24   and name  HN  ))
   (( resid 22   and name  HN  ))

      4.000     2.200     0.000 peak  1031 weight  1.00000E+00 volume  3.28066E+08 ppm1      8.009 ppm2      8.502
 ASSI { 1034}
   (( resid 22   and name  HN  ))
   (( resid 20   and name  HN  ))

      4.000     2.200     0.000 peak  1034 weight  1.00000E+00 volume  3.22808E+08 ppm1      8.511 ppm2      8.210
 ASSI { 1035}
   (( resid 21   and name  HN  ))
   (( resid 19   and name  HN  ))

      5.000     3.200     0.000 peak  1035 weight  1.00000E+00 volume  7.12220E+08 ppm1      8.484 ppm2      8.107
 ASSI { 1039}
   (( resid 20   and name  HN  ))
   (( resid 19   and name  HN  ))

      3.500     1.000     0.000 peak  1039 weight  1.00000E+00 volume  2.34176E+09 ppm1      8.216 ppm2      8.111
 ASSI { 1042}
   (( resid 19   and name  HN  ))
   (( resid 17   and name  HN  ))

      4.000     2.200     0.000 peak  1042 weight  1.00000E+00 volume  2.88583E+08 ppm1      8.117 ppm2      7.742
 ASSI { 1047}
   (( resid 16   and name  HN  ))
   (( resid 18   and name  HN  ))

      4.000     2.200     0.000 peak  1047 weight  1.00000E+00 volume  4.90626E+08 ppm1      7.942 ppm2      8.182
 ASSI { 1048}
   (( resid 15   and name  HN  ))
   (( resid 17   and name  HN  ))

      5.000     3.200     0.000 peak  1048 weight  1.00000E+00 volume  1.28802E+08 ppm1      8.521 ppm2      7.752
! ASSI { 1054}
!   (( resid 56   and name  HN  ))
!   (  resid 54   and name  HB# )
!
!      4.000     2.200     0.000 peak  1054 weight  1.00000E+00 volume  2.83472E+08 ppm1      8.372 ppm2      1.847
 ASSI { 1055}
   (( resid 41   and name  HN  ))
   (( resid 41   and name  HA  ))

      4.000     2.200     0.000 peak  1055 weight  1.00000E+00 volume  3.30410E+08 ppm1      8.519 ppm2      4.278
 ASSI { 1062}
   (( resid 60   and name  HN  ))
   (  resid 57   and name  HG1#)

      6.000     4.200     0.000 peak  1062 weight  1.00000E+00 volume  1.97686E+08 ppm1      7.724 ppm2      1.076
 ASSI { 1064}
   (( resid 7    and name  HN  ))
   (( resid 5    and name  HA  ))

      4.000     2.200     0.000 peak  1064 weight  1.00000E+00 volume  2.97807E+08 ppm1      8.296 ppm2      4.435
 ASSI { 1065}
   (( resid 7    and name  HN  ))
   (( resid 6    and name  HA  ))

      5.000     3.200     0.000 peak  1065 weight  1.00000E+00 volume  2.16945E+08 ppm1      8.302 ppm2      4.334
 ASSI { 1068}
   (( resid 12   and name  HN  ))
   (( resid 11   and name  HB2 ))

      5.000     3.200     0.000 peak  1068 weight  1.00000E+00 volume  1.73183E+08 ppm1      8.354 ppm2      1.920
 ASSI { 1070}
   (( resid 98   and name  HN  ))
   (( resid 96   and name  HA  ))

      4.000     2.200     0.000 peak  1070 weight  1.00000E+00 volume  2.82221E+08 ppm1      7.982 ppm2      3.977
 ASSI { 1072}
   (( resid 98   and name  HN  ))
   (  resid 95   and name  HB# )

      5.000     3.200     0.000 peak  1072 weight  1.00000E+00 volume  2.53939E+08 ppm1      7.980 ppm2      2.659
 ASSI { 1073}
   (( resid 97   and name  HN  ))
   (( resid 95   and name  HB1 ))

      5.000     3.200     0.000 peak  1073 weight  1.00000E+00 volume  2.19381E+08 ppm1      8.420 ppm2      2.661
 ASSI { 1074}
   (( resid 96   and name  HN  ))
   (( resid 95   and name  HB1 ))

      4.000     2.200     0.000 peak  1074 weight  1.00000E+00 volume  3.86127E+08 ppm1      8.243 ppm2      2.658
 ASSI { 1075}
   (( resid 96   and name  HN  ))
   (( resid 95   and name  HB2 ))

      4.000     2.200     0.000 peak  1075 weight  1.00000E+00 volume  3.35800E+08 ppm1      8.241 ppm2      2.588
 ASSI { 1081}
   (( resid 27   and name  HN  ))
   (( resid 30   and name  HD1 ))

      5.000     3.200     0.000 peak  1081 weight  1.00000E+00 volume  1.13943E+08 ppm1      7.533 ppm2      3.598
 ASSI { 1084}
   (( resid 26   and name  HN  ))
   (( resid 25   and name  HG  ))

      4.000     2.200     0.000 peak  1084 weight  1.00000E+00 volume  3.55234E+08 ppm1      8.657 ppm2      1.723
 ASSI { 1085}
   (( resid 74   and name  HN  ))
   (( resid 71   and name  HD2 ))

      5.000     3.200     0.000 peak  1085 weight  1.00000E+00 volume  1.79441E+08 ppm1      7.598 ppm2      3.615
 ASSI { 1087}
   (( resid 59   and name  HN  ))
   (( resid 58   and name  HG2 ))

      5.000     3.200     0.000 peak  1087 weight  1.00000E+00 volume  2.33270E+08 ppm1      7.422 ppm2      1.228
 ASSI { 1088}
   (( resid 73   and name  HN  ))
   (( resid 71   and name  HA  ))

      4.000     2.200     0.000 peak  1088 weight  1.00000E+00 volume  3.06638E+08 ppm1      8.307 ppm2      4.423
 ASSI { 1091}
   (( resid 70   and name  HN  ))
   (  resid 63   and name  HG# )

      4.000     2.200     0.000 peak  1091 weight  1.00000E+00 volume  2.93135E+08 ppm1      8.191 ppm2      1.651
 ASSI { 1094}
   (( resid 69   and name  HN  ))
   (( resid 67   and name  HA  ))

      4.000     2.200     0.000 peak  1094 weight  1.00000E+00 volume  4.08741E+08 ppm1      8.285 ppm2      4.350
 ASSI { 1095}
   (( resid 69   and name  HN  ))
   (  resid 67   and name  HG# )

      5.000     3.200     0.000 peak  1095 weight  1.00000E+00 volume  1.68949E+08 ppm1      8.292 ppm2      2.333
 ASSI { 1096}
   (( resid 68   and name  HN  ))
   (( resid 63   and name  HA  ))

      4.000     2.200     0.000 peak  1096 weight  1.00000E+00 volume  3.23936E+08 ppm1      8.339 ppm2      4.259
 ASSI { 1098}
   (( resid 67   and name  HN  ))
   (( resid 66   and name  HA1 ))

      4.000     2.200     0.000 peak  1098 weight  1.00000E+00 volume  3.81074E+08 ppm1      8.135 ppm2      3.925
 ASSI { 1100}
   (( resid 64   and name  HN  ))
   (  resid 63   and name  HD# )

      5.000     3.200     0.000 peak  1100 weight  1.00000E+00 volume  1.46378E+08 ppm1      8.279 ppm2      3.194
 ASSI { 1110}
   (( resid 48   and name  HN  ))
   (( resid 50   and name  HN  ))

      5.000     3.200     0.000 peak  1110 weight  1.00000E+00 volume  2.32663E+08 ppm1      7.955 ppm2      7.712
 ASSI { 1112}
   (( resid 34   and name  HN  ))
   (( resid 64   and name  HN  ))

      4.000     2.200     0.000 peak  1112 weight  1.00000E+00 volume  5.63940E+08 ppm1      8.187 ppm2      8.277
 ASSI { 1120}
   (( resid 98   and name  HN  ))
   (  resid 96   and name  HG# )

      6.000     4.200     0.000 peak  1120 weight  1.00000E+00 volume  2.12646E+08 ppm1      7.982 ppm2      0.932
 ASSI { 1121}
   (( resid 95   and name  HN  ))
   (( resid 95   and name  HA  ))

      4.000     2.200     0.000 peak  1121 weight  1.00000E+00 volume  6.52695E+08 ppm1      8.487 ppm2      4.615
 ASSI { 1122}
   (( resid 95   and name  HN  ))
   (( resid 95   and name  HB1 ))

      5.000     3.200     0.000 peak  1122 weight  1.00000E+00 volume  2.28710E+08 ppm1      8.487 ppm2      2.659
 ASSI { 1123}
   (( resid 95   and name  HN  ))
   (( resid 95   and name  HB2 ))

      4.000     2.200     0.000 peak  1123 weight  1.00000E+00 volume  3.10984E+08 ppm1      8.485 ppm2      2.585
 ASSI {   29}
   (( resid 98   and name  HA  ))
   (  resid 98   and name  HB# )

      2.800     1.000     0.000 peak    29 weight  1.00000E+00 volume  9.03937E+09 ppm1      4.278 ppm2      1.359
 ASSI {   37}
   (( resid 96   and name  HA  ))
   (( resid 96   and name  HB  ))

      4.000     2.200     0.000 peak    37 weight  1.00000E+00 volume  2.35870E+09 ppm1      3.970 ppm2      2.043
 ASSI {   38}
   (( resid 96   and name  HA  ))
   (  resid 96   and name  HG1#)

      4.000     2.200     0.000 peak    38 weight  1.00000E+00 volume  4.24422E+09 ppm1      3.970 ppm2      0.930
 ASSI {   46}
   (( resid 108  and name  HA  ))
   (( resid 108  and name  HB2 ))

      2.800     1.000     0.000 peak    46 weight  1.00000E+00 volume  1.06753E+09 ppm1      4.258 ppm2      3.848
 ASSI {   54}
   (( resid 70   and name  HA  ))
   (( resid 70   and name  HB  ))

      5.000     3.200     0.000 peak    54 weight  1.00000E+00 volume  4.33913E+08 ppm1      4.363 ppm2      2.068
 ASSI {   58}
   (( resid 107  and name  HA  ))
   (  resid 107  and name  HG# )

      6.000     4.200     0.000 peak    58 weight  1.00000E+00 volume  6.15642E+07 ppm1      4.344 ppm2      2.269
 ASSI {   59}
   (( resid 107  and name  HA  ))
   (( resid 107  and name  HB1 ))

      5.000     3.200     0.000 peak    59 weight  1.00000E+00 volume  5.33971E+08 ppm1      4.346 ppm2      2.099
 ASSI {   60}
   (( resid 106  and name  HA  ))
   (( resid 106  and name  HB2 ))

      4.000     2.200     0.000 peak    60 weight  1.00000E+00 volume  1.04340E+09 ppm1      4.322 ppm2      2.110
 ASSI {   61}
   (( resid 106  and name  HA  ))
   (( resid 106  and name  HB1 ))

      4.000     2.200     0.000 peak    61 weight  1.00000E+00 volume  2.48937E+09 ppm1      4.322 ppm2      1.986
 ASSI {   63}
   (( resid 93   and name  HA  ))
   (  resid 93   and name  HG# )

      4.000     2.200     0.000 peak    63 weight  1.00000E+00 volume  1.66526E+09 ppm1      4.167 ppm2      2.228
 ASSI {   69}
   (( resid 93   and name  HG2 ))
   (( resid 93   and name  HB2 ))

      2.500     0.700     0.000 peak    69 weight  1.00000E+00 volume  1.72091E+10 ppm1      2.206 ppm2      2.029
 ASSI {   70}
   (( resid 106  and name  HG2 ))
   (( resid 106  and name  HB2 ))

      2.500     0.700     0.000 peak    70 weight  1.00000E+00 volume  1.16840E+10 ppm1      2.386 ppm2      2.109
 ASSI {   71}
   (( resid 106  and name  HG2 ))
   (( resid 106  and name  HB1 ))

      2.800     1.000     0.000 peak    71 weight  1.00000E+00 volume  6.29035E+09 ppm1      2.387 ppm2      1.990
 ASSI {   72}
   (( resid 105  and name  HA  ))
   (  resid 105  and name  HB# )

      2.800     1.000     0.000 peak    72 weight  1.00000E+00 volume  4.81490E+09 ppm1      4.387 ppm2      2.269
 ASSI {   74}
   (( resid 105  and name  HA  ))
   (  resid 100  and name  HG# )

      4.000     2.200     0.000 peak    74 weight  1.00000E+00 volume  2.60903E+09 ppm1      4.386 ppm2      1.960
 ASSI {   77}
   (( resid 105  and name  HA  ))
   (( resid 105  and name  HG2 ))

      2.800     1.000     0.000 peak    77 weight  1.00000E+00 volume  3.32895E+09 ppm1      4.397 ppm2      1.903
 ASSI {   80}
   (( resid 105  and name  HA  ))
   (( resid 105  and name  HG1 ))

      5.000     3.200     0.000 peak    80 weight  1.00000E+00 volume  2.44435E+08 ppm1      4.391 ppm2      1.999
 ASSI {   95}
   (  resid 105  and name  HB# )
   (( resid 105  and name  HG1 ))

      2.500     0.700     0.000 peak    95 weight  1.00000E+00 volume  7.92596E+09 ppm1      2.288 ppm2      2.014
 ASSI {  101}
   (( resid 96   and name  HB  ))
   (  resid 96   and name  HG# )

      4.000     2.200     0.000 peak   101 weight  1.00000E+00 volume  8.09811E+09 ppm1      2.045 ppm2      0.932
 ASSI {  117}
   (( resid 90   and name  HA  ))
   (( resid 90   and name  HB1 ))

      4.000     2.200     0.000 peak   117 weight  1.00000E+00 volume  1.47879E+09 ppm1      4.407 ppm2      3.791
 ASSI {  122}
   (( resid 89   and name  HA  ))
   (( resid 89   and name  HG2 ))

      5.000     3.200     0.000 peak   122 weight  1.00000E+00 volume  5.45226E+08 ppm1      4.401 ppm2      2.358
 ASSI {  125}
   (( resid 89   and name  HA  ))
   (( resid 89   and name  HG1 ))

      4.000     2.200     0.000 peak   125 weight  1.00000E+00 volume  7.13676E+08 ppm1      4.403 ppm2      2.266
 ASSI {  132}
   (( resid 87   and name  HB1 ))
   (( resid 87   and name  HB2 ))

      4.000     2.200     0.000 peak   132 weight  1.00000E+00 volume  6.78258E+08 ppm1      4.093 ppm2      3.989
 ASSI {  133}
   (( resid 86   and name  HB1 ))
   (( resid 86   and name  HG2 ))

      4.000     2.200     0.000 peak   133 weight  1.00000E+00 volume  2.61642E+09 ppm1      1.824 ppm2      1.656
 ASSI {  135}
   (( resid 86   and name  HA  ))
   (( resid 86   and name  HB1 ))

      2.800     1.000     0.000 peak   135 weight  1.00000E+00 volume  4.38236E+09 ppm1      4.028 ppm2      1.824
 ASSI {  149}
   (( resid 85   and name  HB  ))
   (( resid 85   and name  HG12))

      5.000     3.200     0.000 peak   149 weight  1.00000E+00 volume  2.83936E+08 ppm1      1.604 ppm2      0.754
 ASSI {  158}
   (( resid 84   and name  HB2 ))
   (  resid 84   and name  HD1#)

      5.000     3.200     0.000 peak   158 weight  1.00000E+00 volume  1.05830E+09 ppm1      2.023 ppm2      0.976
 ASSI {  159}
   (( resid 84   and name  HB2 ))
   (  resid 84   and name  HD2#)

      5.000     3.200     0.000 peak   159 weight  1.00000E+00 volume  1.15185E+09 ppm1      2.027 ppm2      0.851
 ASSI {  160}
   (( resid 84   and name  HB1 ))
   (( resid 84   and name  HG  ))

      4.000     2.200     0.000 peak   160 weight  1.00000E+00 volume  6.43433E+08 ppm1      1.848 ppm2      1.508
 ASSI {  174}
   (( resid 78   and name  HB  ))
   (  resid 78   and name  HG2#)

      5.000     3.200     0.000 peak   174 weight  1.00000E+00 volume  1.89981E+09 ppm1      2.074 ppm2      0.955
 ASSI {  177}
   (( resid 78   and name  HB  ))
   (  resid 78   and name  HG1#)

      5.000     3.200     0.000 peak   177 weight  1.00000E+00 volume  1.43191E+09 ppm1      2.078 ppm2      0.772
 ASSI {  187}
   (( resid 75   and name  HA  ))
   (( resid 75   and name  HG1 ))

      4.000     2.200     0.000 peak   187 weight  1.00000E+00 volume  9.99362E+08 ppm1      3.673 ppm2      1.409
 ASSI {  190}
   (( resid 75   and name  HB2 ))
   (( resid 75   and name  HG1 ))

      5.000     3.200     0.000 peak   190 weight  1.00000E+00 volume  5.97286E+08 ppm1      1.749 ppm2      1.401
 ASSI {  198}
   (( resid 67   and name  HA  ))
   (( resid 67   and name  HB2 ))

      4.000     2.200     0.000 peak   198 weight  1.00000E+00 volume  1.42293E+09 ppm1      4.355 ppm2      2.138
 ASSI {  200}
   (( resid 67   and name  HA  ))
   (( resid 67   and name  HB1 ))

      4.000     2.200     0.000 peak   200 weight  1.00000E+00 volume  1.11904E+09 ppm1      4.355 ppm2      1.992
 ASSI {  201}
   (  resid 67   and name  HG# )
   (( resid 67   and name  HB2 ))

      2.500     0.700     0.000 peak   201 weight  1.00000E+00 volume  3.37653E+09 ppm1      2.334 ppm2      2.142
 ASSI {  202}
   (  resid 67   and name  HG# )
   (( resid 67   and name  HB1 ))

      4.000     2.200     0.000 peak   202 weight  1.00000E+00 volume  2.55631E+09 ppm1      2.335 ppm2      1.989
 ASSI {  206}
   (( resid 67   and name  HG1 ))
   (( resid 67   and name  HB1 ))

      2.800     1.000     0.000 peak   206 weight  1.00000E+00 volume  2.95467E+09 ppm1      2.336 ppm2      1.985
 ASSI {  207}
   (( resid 66   and name  HA2 ))
   (( resid 66   and name  HA1 ))

      5.000     3.200     0.000 peak   207 weight  1.00000E+00 volume  2.55896E+08 ppm1      4.038 ppm2      3.909
 ASSI {  217}
   (( resid 63   and name  HD2 ))
   (  resid 63   and name  HG# )

      2.800     1.000     0.000 peak   217 weight  1.00000E+00 volume  3.68763E+09 ppm1      3.201 ppm2      1.652
 ASSI {  221}
   (( resid 63   and name  HB2 ))
   (  resid 63   and name  HG# )

      4.000     2.200     0.000 peak   221 weight  1.00000E+00 volume  1.35665E+09 ppm1      1.896 ppm2      1.661
 ASSI {  222}
   (( resid 63   and name  HB1 ))
   (  resid 63   and name  HG# )

      2.800     1.000     0.000 peak   222 weight  1.00000E+00 volume  3.02078E+09 ppm1      1.822 ppm2      1.652
 ASSI {  236}
   (( resid 62   and name  HA  ))
   (  resid 62   and name  HG# )

      4.000     2.200     0.000 peak   236 weight  1.00000E+00 volume  1.03429E+09 ppm1      4.272 ppm2      1.390
 ASSI {  237}
   (( resid 62   and name  HA  ))
   (  resid 62   and name  HD# )

      4.000     2.200     0.000 peak   237 weight  1.00000E+00 volume  7.73354E+08 ppm1      4.272 ppm2      1.446
 ASSI {  240}
   (( resid 62   and name  HE2 ))
   (( resid 62   and name  HB1 ))

      2.500     0.700     0.000 peak   240 weight  1.00000E+00 volume  8.83821E+09 ppm1      2.928 ppm2      1.635
 ASSI {  242}
   (( resid 62   and name  HE2 ))
   (  resid 62   and name  HG# )

      2.800     1.000     0.000 peak   242 weight  1.00000E+00 volume  4.14647E+09 ppm1      2.933 ppm2      1.416
 ASSI {  247}
   (( resid 62   and name  HB2 ))
   (  resid 62   and name  HG# )

      4.000     2.200     0.000 peak   247 weight  1.00000E+00 volume  1.03329E+09 ppm1      1.814 ppm2      1.390
 ASSI {  248}
   (( resid 62   and name  HB2 ))
   (  resid 62   and name  HD# )

      4.000     2.200     0.000 peak   248 weight  1.00000E+00 volume  9.15530E+08 ppm1      1.814 ppm2      1.446
 ASSI {  249}
   (( resid 61   and name  HA  ))
   (  resid 61   and name  HG# )

      4.000     2.200     0.000 peak   249 weight  1.00000E+00 volume  2.24471E+09 ppm1      3.991 ppm2      0.805
 ASSI {  250}
   (( resid 61   and name  HA  ))
   (( resid 61   and name  HB  ))

      4.000     2.200     0.000 peak   250 weight  1.00000E+00 volume  1.35035E+09 ppm1      3.988 ppm2      2.098
 ASSI {  252}
   (( resid 61   and name  HB  ))
   (  resid 61   and name  HG# )

      4.000     2.200     0.000 peak   252 weight  1.00000E+00 volume  2.93490E+09 ppm1      2.094 ppm2      0.789
 ASSI {  257}
   (( resid 55   and name  HA  ))
   (  resid 55   and name  HB# )

      2.800     1.000     0.000 peak   257 weight  1.00000E+00 volume  3.42949E+09 ppm1      4.000 ppm2      2.053
 ASSI {  258}
   (( resid 55   and name  HA  ))
   (  resid 55   and name  HG# )

      4.000     2.200     0.000 peak   258 weight  1.00000E+00 volume  8.76690E+08 ppm1      3.997 ppm2      2.424
 ASSI {  259}
   (( resid 54   and name  HA  ))
   (  resid 54   and name  HG# )

      2.800     1.000     0.000 peak   259 weight  1.00000E+00 volume  1.19739E+09 ppm1      3.768 ppm2      2.119
 ASSI {  260}
   (( resid 54   and name  HA  ))
   (  resid 54   and name  HB# )

      2.800     1.000     0.000 peak   260 weight  1.00000E+00 volume  9.99614E+08 ppm1      3.767 ppm2      1.853
 ASSI {  266}
   (  resid 53   and name  HB# )
   (  resid 57   and name  HG1#)

      6.000     4.200     0.000 peak   266 weight  1.00000E+00 volume  3.48736E+08 ppm1      1.685 ppm2      1.073
 ASSI {  267}
   (  resid 53   and name  HB# )
   (  resid 53   and name  HD2#)

      6.000     4.200     0.000 peak   267 weight  1.00000E+00 volume  5.75852E+08 ppm1      1.680 ppm2      0.872
 ASSI {  268}
   (( resid 53   and name  HB1 ))
   (  resid 53   and name  HD1#)

      5.000     3.200     0.000 peak   268 weight  1.00000E+00 volume  8.03510E+08 ppm1      1.684 ppm2      0.760
 ASSI {  275}
   (  resid 50   and name  HE# )
   (  resid 50   and name  HD# )

      6.000     4.200     0.000 peak   275 weight  1.00000E+00 volume  7.17742E+07 ppm1      2.947 ppm2      1.635
 ASSI {  276}
   (  resid 50   and name  HB# )
   (  resid 50   and name  HD# )

      2.800     1.000     0.000 peak   276 weight  1.00000E+00 volume  5.38917E+09 ppm1      1.768 ppm2      1.630
 ASSI {  282}
   (( resid 49   and name  HG1 ))
   (  resid 49   and name  HB# )

      2.800     1.000     0.000 peak   282 weight  1.00000E+00 volume  5.53041E+09 ppm1      2.361 ppm2      2.079
 ASSI {  296}
   (( resid 47   and name  HB1 ))
   (  resid 18   and name  HD# )

      6.000     4.200     0.000 peak   296 weight  1.00000E+00 volume  2.84575E+08 ppm1      3.171 ppm2      0.623
 ASSI {  306}
   (( resid 44   and name  HA  ))
   (  resid 44   and name  HB# )

      4.000     2.200     0.000 peak   306 weight  1.00000E+00 volume  9.84926E+08 ppm1      4.485 ppm2      3.813
 ASSI {  307}
   (( resid 43   and name  HA  ))
   (( resid 43   and name  HG2 ))

      4.000     2.200     0.000 peak   307 weight  1.00000E+00 volume  1.56583E+09 ppm1      4.210 ppm2      2.255
 ASSI {  308}
   (( resid 43   and name  HA  ))
   (( resid 43   and name  HB1 ))

      2.800     1.000     0.000 peak   308 weight  1.00000E+00 volume  1.97228E+09 ppm1      4.204 ppm2      2.074
 ASSI {  310}
   (( resid 43   and name  HA  ))
   (( resid 43   and name  HB2 ))

      2.800     1.000     0.000 peak   310 weight  1.00000E+00 volume  1.62994E+09 ppm1      4.199 ppm2      1.995
 ASSI {  311}
   (  resid 43   and name  HG# )
   (( resid 43   and name  HB2 ))

      2.500     0.700     0.000 peak   311 weight  1.00000E+00 volume  8.25714E+09 ppm1      2.256 ppm2      1.995
 ASSI {  312}
   (( resid 43   and name  HG2 ))
   (( resid 43   and name  HB1 ))

      2.800     1.000     0.000 peak   312 weight  1.00000E+00 volume  6.54687E+09 ppm1      2.256 ppm2      2.063
 ASSI {  314}
   (  resid 43   and name  HG# )
   (( resid 43   and name  HB1 ))

      2.500     0.700     0.000 peak   314 weight  1.00000E+00 volume  1.65681E+10 ppm1      2.239 ppm2      2.065
 ASSI {  315}
   (( resid 42   and name  HA  ))
   (  resid 42   and name  HG# )

      4.000     2.200     0.000 peak   315 weight  1.00000E+00 volume  8.22835E+08 ppm1      4.014 ppm2      2.330
 ASSI {  324}
   (( resid 108  and name  HA  ))
   (( resid 106  and name  HG2 ))

      6.000     4.200     0.000 peak   324 weight  1.00000E+00 volume  1.08248E+08 ppm1      4.253 ppm2      2.391
 ASSI {  339}
   (  resid 36   and name  HD# )
   (( resid 36   and name  HG2 ))

      2.500     0.700     0.000 peak   339 weight  1.00000E+00 volume  1.18701E+10 ppm1      1.626 ppm2      1.393
 ASSI {  341}
   (( resid 36   and name  HD1 ))
   (  resid 35   and name  HG2#)

      5.000     3.200     0.000 peak   341 weight  1.00000E+00 volume  1.35735E+09 ppm1      1.622 ppm2      0.910
 ASSI {  346}
   (( resid 36   and name  HA  ))
   (  resid 36   and name  HB# )

      5.000     3.200     0.000 peak   346 weight  1.00000E+00 volume  6.19556E+08 ppm1      4.132 ppm2      1.751
 ASSI {  347}
   (( resid 35   and name  HA  ))
   (  resid 38   and name  HB# )

      4.000     2.200     0.000 peak   347 weight  1.00000E+00 volume  7.67061E+08 ppm1      3.919 ppm2      2.003
 ASSI {  353}
   (( resid 34   and name  HA  ))
   (  resid 37   and name  HB# )

      5.000     3.200     0.000 peak   353 weight  1.00000E+00 volume  5.82072E+08 ppm1      4.168 ppm2      2.821
 ASSI {  359}
   (( resid 32   and name  HB1 ))
   (( resid 32   and name  HB2 ))

      2.500     0.700     0.000 peak   359 weight  1.00000E+00 volume  -1.28680E+10 ppm1      3.969 ppm2      3.885
 ASSI {  361}
   (( resid 14   and name  HB2 ))
   (  resid 18   and name  HD# )

      6.000     4.200     0.000 peak   361 weight  1.00000E+00 volume  2.14088E+08 ppm1      3.218 ppm2      0.626
 ASSI {  363}
   (( resid 66   and name  HA1 ))
   (  resid 65   and name  HB# )

      6.000     4.200     0.000 peak   363 weight  1.00000E+00 volume  2.57477E+08 ppm1      3.928 ppm2      1.395
 ASSI {  364}
   (( resid 8    and name  HA  ))
   (( resid 6    and name  HA  ))

      6.000     4.200     0.000 peak   364 weight  1.00000E+00 volume  -1.42049E+08 ppm1      4.570 ppm2      4.339
 ASSI {  370}
   (( resid 8    and name  HA  ))
   (( resid 8    and name  HB1 ))

      4.000     2.200     0.000 peak   370 weight  1.00000E+00 volume  9.22397E+08 ppm1      4.575 ppm2      1.844
 ASSI {  371}
   (( resid 8    and name  HA  ))
   (( resid 8    and name  HB2 ))

      5.000     3.200     0.000 peak   371 weight  1.00000E+00 volume  3.01051E+07 ppm1      4.575 ppm2      2.008
 ASSI {  372}
   (( resid 23   and name  HG2 ))
   (( resid 23   and name  HB1 ))

      4.000     2.200     0.000 peak   372 weight  1.00000E+00 volume  4.49572E+08 ppm1      2.505 ppm2      2.253
 ASSI {  374}
   (  resid 8    and name  HG# )
   (( resid 8    and name  HB2 ))

      2.800     1.000     0.000 peak   374 weight  1.00000E+00 volume  4.96449E+09 ppm1      2.256 ppm2      2.008
 ASSI {  375}
   (( resid 8    and name  HG2 ))
   (( resid 8    and name  HB1 ))

      4.000     2.200     0.000 peak   375 weight  1.00000E+00 volume  1.75270E+09 ppm1      2.255 ppm2      1.833
 ASSI {  376}
   (( resid 8    and name  HB2 ))
   (( resid 8    and name  HB1 ))

      2.500     0.700     0.000 peak   376 weight  1.00000E+00 volume  1.03549E+10 ppm1      2.006 ppm2      1.834
 ASSI {  379}
   (( resid 9    and name  HA  ))
   (( resid 9    and name  HB1 ))

      4.000     2.200     0.000 peak   379 weight  1.00000E+00 volume  1.70486E+09 ppm1      4.377 ppm2      2.262
 ASSI {  380}
   (( resid 9    and name  HA  ))
   (( resid 9    and name  HB2 ))

      4.000     2.200     0.000 peak   380 weight  1.00000E+00 volume  1.02151E+09 ppm1      4.378 ppm2      1.963
 ASSI {  396}
   (( resid 13   and name  HB2 ))
   (( resid 13   and name  HB1 ))

      2.500     0.700     0.000 peak   396 weight  1.00000E+00 volume  2.29106E+10 ppm1      2.849 ppm2      2.765
 ASSI {  401}
   (( resid 28   and name  HA  ))
   (  resid 28   and name  HB# )

      4.000     2.200     0.000 peak   401 weight  1.00000E+00 volume  7.79434E+08 ppm1      3.855 ppm2      1.962
 ASSI {  410}
   (( resid 74   and name  HB2 ))
   (  resid 25   and name  HD1#)

      5.000     3.200     0.000 peak   410 weight  1.00000E+00 volume  9.26730E+08 ppm1      1.737 ppm2      1.243
 ASSI {  432}
   (( resid 46   and name  HA  ))
   (  resid 46   and name  HD# )

      6.000     4.200     0.000 peak   432 weight  1.00000E+00 volume  1.38056E+08 ppm1      4.404 ppm2      4.137
 ASSI {  433}
   (( resid 9    and name  HD2 ))
   (( resid 9    and name  HD1 ))

      2.500     0.700     0.000 peak   433 weight  1.00000E+00 volume  1.64748E+10 ppm1      3.678 ppm2      3.777
 ASSI {  442}
   (( resid 79   and name  HA  ))
   (( resid 79   and name  HB1 ))

      2.800     1.000     0.000 peak   442 weight  1.00000E+00 volume  1.28552E+09 ppm1      3.941 ppm2      2.001
 ASSI {  443}
   (( resid 96   and name  HA  ))
   (  resid 99   and name  HB# )

      6.000     4.200     0.000 peak   443 weight  1.00000E+00 volume  5.59037E+08 ppm1      3.969 ppm2      1.341
 ASSI {  444}
   (( resid 76   and name  HA  ))
   (( resid 79   and name  HB2 ))

      5.000     3.200     0.000 peak   444 weight  1.00000E+00 volume  4.75272E+08 ppm1      4.069 ppm2      2.181
 ASSI {  445}
   (( resid 76   and name  HA  ))
   (( resid 79   and name  HB1 ))

      4.000     2.200     0.000 peak   445 weight  1.00000E+00 volume  1.09878E+09 ppm1      4.065 ppm2      1.997
 ASSI {  449}
   (( resid 92   and name  HD2 ))
   (( resid 91   and name  HB  ))

      5.000     3.200     0.000 peak   449 weight  1.00000E+00 volume  4.75281E+08 ppm1      3.888 ppm2      2.104
 ASSI {  453}
   (( resid 9    and name  HD2 ))
   (( resid 9    and name  HB1 ))

      5.000     3.200     0.000 peak   453 weight  1.00000E+00 volume  4.80282E+08 ppm1      3.680 ppm2      2.243
 ASSI {  454}
   (( resid 9    and name  HD2 ))
   (( resid 9    and name  HB2 ))

      2.800     1.000     0.000 peak   454 weight  1.00000E+00 volume  2.60718E+09 ppm1      3.679 ppm2      1.996
 ASSI {  455}
   (( resid 9    and name  HD2 ))
   (  resid 9    and name  HG# )

      5.000     3.200     0.000 peak   455 weight  1.00000E+00 volume  6.15428E+08 ppm1      3.680 ppm2      1.869
 ASSI {  456}
   (( resid 9    and name  HD1 ))
   (( resid 9    and name  HB1 ))

      5.000     3.200     0.000 peak   456 weight  1.00000E+00 volume  5.60027E+08 ppm1      3.783 ppm2      2.242
 ASSI {  457}
   (( resid 9    and name  HB1 ))
   (( resid 9    and name  HB2 ))

      2.800     1.000     0.000 peak   457 weight  1.00000E+00 volume  6.50075E+09 ppm1      2.248 ppm2      1.992
 ASSI {  458}
   (( resid 9    and name  HB1 ))
   (  resid 9    and name  HG# )

      2.800     1.000     0.000 peak   458 weight  1.00000E+00 volume  5.89806E+09 ppm1      2.246 ppm2      1.874
 ASSI {  460}
   (( resid 12   and name  HB  ))
   (( resid 12   and name  HG1 ))

      4.000     2.200     0.000 peak   460 weight  1.00000E+00 volume  9.66937E+08 ppm1      4.136 ppm2      4.783
 ASSI {  461}
   (( resid 12   and name  HB  ))
   (( resid 11   and name  HB1 ))

      6.000     4.200     0.000 peak   461 weight  1.00000E+00 volume  1.12350E+08 ppm1      4.131 ppm2      2.019
 ASSI {  462}
   (( resid 12   and name  HA  ))
   (( resid 12   and name  HG1 ))

      4.000     2.200     0.000 peak   462 weight  1.00000E+00 volume  6.83059E+08 ppm1      4.292 ppm2      4.752
 ASSI {  470}
   (( resid 99   and name  HA  ))
   (( resid 100  and name  HB1 ))

      6.000     4.200     0.000 peak   470 weight  1.00000E+00 volume  2.47077E+07 ppm1      4.528 ppm2      2.268
 ASSI {  474}
   (( resid 97   and name  HA  ))
   (( resid 100  and name  HB2 ))

      6.000     4.200     0.000 peak   474 weight  1.00000E+00 volume  -1.73610E+08 ppm1      4.263 ppm2      2.005
 ASSI {  481}
   (( resid 32   and name  HA  ))
   (( resid 32   and name  HG  ))

      4.000     2.200     0.000 peak   481 weight  1.00000E+00 volume  6.61160E+08 ppm1      4.319 ppm2      4.783
 ASSI {  501}
   (( resid 70   and name  HB  ))
   (  resid 63   and name  HD# )

      5.000     3.200     0.000 peak   501 weight  1.00000E+00 volume  2.30599E+08 ppm1      2.063 ppm2      3.192
 ASSI {  502}
   (( resid 68   and name  HB2 ))
   (  resid 62   and name  HG# )

      5.000     3.200     0.000 peak   502 weight  1.00000E+00 volume  6.03093E+08 ppm1      2.606 ppm2      1.387
 ASSI {    6}
   (( resid 78   and name  HB  ))
   (( resid 79   and name  HN  ))

      4.000     2.200     0.000 peak     6 weight  1.00000E+00 volume  4.42927E+08 ppm1      2.074 ppm2      8.648
 ASSI {   26}
   (( resid 79   and name  HB1 ))
   (  resid 79   and name  HG# )

      2.800     1.000     0.000 peak    26 weight  1.00000E+00 volume  1.51720E+09 ppm1      1.997 ppm2      2.548
 ASSI {   27}
   (( resid 79   and name  HB2 ))
   (  resid 79   and name  HG# )

      4.000     2.200     0.000 peak    27 weight  1.00000E+00 volume  4.59901E+08 ppm1      2.178 ppm2      2.547
 ASSI {   33}
   (( resid 58   and name  HB2 ))
   (( resid 58   and name  HN  ))

      4.000     2.200     0.000 peak    33 weight  1.00000E+00 volume  4.25134E+08 ppm1      1.875 ppm2      7.890
 ASSI {   34}
   (( resid 58   and name  HB1 ))
   (( resid 58   and name  HN  ))

      4.000     2.200     0.000 peak    34 weight  1.00000E+00 volume  5.62921E+08 ppm1      1.803 ppm2      7.890
 ASSI {   37}
   (( resid 79   and name  HB1 ))
   (  resid 22   and name  HE# )

      5.000     3.200     0.000 peak    37 weight  1.00000E+00 volume  2.60708E+08 ppm1      1.992 ppm2      6.777
 ASSI {   39}
   (  resid 38   and name  HB# )
   (( resid 39   and name  HD2 ))

      5.000     3.200     0.000 peak    39 weight  1.00000E+00 volume  1.42116E+08 ppm1      1.991 ppm2      6.731
 ASSI {   40}
   (( resid 79   and name  HB2 ))
   (  resid 22   and name  HE# )

      5.000     3.200     0.000 peak    40 weight  1.00000E+00 volume  2.88166E+08 ppm1      2.177 ppm2      6.777
 ASSI {   41}
   (( resid 22   and name  HB1 ))
   (  resid 22   and name  HE# )

      5.000     3.200     0.000 peak    41 weight  1.00000E+00 volume  1.53548E+08 ppm1      3.318 ppm2      6.776
 ASSI {   42}
   (  resid 25   and name  HB# )
   (  resid 24   and name  HD# )

      4.000     2.200     0.000 peak    42 weight  1.00000E+00 volume  6.74633E+08 ppm1      1.977 ppm2      6.959
 ASSI {   44}
   (( resid 48   and name  HB1 ))
   (( resid 48   and name  HA  ))

      4.000     2.200     0.000 peak    44 weight  1.00000E+00 volume  4.22284E+08 ppm1      1.810 ppm2      4.188
 ASSI {   50}
   (( resid 41   and name  HB2 ))
   (( resid 38   and name  HA  ))

      4.000     2.200     0.000 peak    50 weight  1.00000E+00 volume  2.34569E+08 ppm1      3.088 ppm2      3.864
 ASSI {   51}
   (( resid 37   and name  HB2 ))
   (( resid 38   and name  HA  ))

      5.000     3.200     0.000 peak    51 weight  1.00000E+00 volume  1.32697E+08 ppm1      2.757 ppm2      3.861
 ASSI {   55}
   (( resid 60   and name  HB1 ))
   (  resid 41   and name  HD# )

      4.000     2.200     0.000 peak    55 weight  1.00000E+00 volume  3.71250E+08 ppm1      1.980 ppm2      7.064
 ASSI {   56}
   (( resid 57   and name  HB  ))
   (  resid 41   and name  HD# )

      4.000     2.200     0.000 peak    56 weight  1.00000E+00 volume  3.85737E+08 ppm1      2.123 ppm2      7.067
 ASSI {   63}
   (( resid 16   and name  HB1 ))
   (( resid 16   and name  HN  ))

      4.000     2.200     0.000 peak    63 weight  1.00000E+00 volume  6.34055E+08 ppm1      2.086 ppm2      7.980
 ASSI {   65}
   (( resid 16   and name  HG2 ))
   (( resid 16   and name  HN  ))

      4.000     2.200     0.000 peak    65 weight  1.00000E+00 volume  2.51171E+08 ppm1      2.269 ppm2      7.981
 ASSI {   66}
   (( resid 16   and name  HB2 ))
   (( resid 17   and name  HN  ))

      4.000     2.200     0.000 peak    66 weight  1.00000E+00 volume  2.93304E+08 ppm1      2.022 ppm2      7.774
 ASSI {   67}
   (( resid 16   and name  HB1 ))
   (( resid 17   and name  HN  ))

      4.000     2.200     0.000 peak    67 weight  1.00000E+00 volume  1.73364E+08 ppm1      2.087 ppm2      7.776
 ASSI {   70}
   (( resid 81   and name  HB2 ))
   (( resid 81   and name  HN  ))

      4.000     2.200     0.000 peak    70 weight  1.00000E+00 volume  1.69045E+08 ppm1      2.038 ppm2      7.709
 ASSI {   71}
   (( resid 89   and name  HB2 ))
   (( resid 90   and name  HN  ))

      4.000     2.200     0.000 peak    71 weight  1.00000E+00 volume  3.26746E+08 ppm1      2.185 ppm2      8.281
 ASSI {   75}
   (( resid 11   and name  HB1 ))
   (( resid 11   and name  HN  ))

      3.500     1.000     0.000 peak    75 weight  1.00000E+00 volume  7.48635E+08 ppm1      2.033 ppm2      8.359
 ASSI {   76}
   (( resid 86   and name  HB1 ))
   (( resid 86   and name  HD2 ))

      4.000     2.200     0.000 peak    76 weight  1.00000E+00 volume  3.71189E+08 ppm1      1.824 ppm2      2.749
 ASSI {   77}
   (( resid 86   and name  HB1 ))
   (( resid 86   and name  HD1 ))

      4.000     2.200     0.000 peak    77 weight  1.00000E+00 volume  3.07655E+08 ppm1      1.825 ppm2      2.977
 ASSI {   79}
   (( resid 81   and name  HG2 ))
   (( resid 81   and name  HD1 ))

      4.000     2.200     0.000 peak    79 weight  1.00000E+00 volume  2.91228E+08 ppm1      1.790 ppm2      3.382
 ASSI {   80}
   (( resid 81   and name  HG1 ))
   (( resid 81   and name  HD1 ))

      4.000     2.200     0.000 peak    80 weight  1.00000E+00 volume  2.97871E+08 ppm1      1.751 ppm2      3.381
 ASSI {   81}
   (( resid 81   and name  HB1 ))
   (( resid 81   and name  HD1 ))

      4.000     2.200     0.000 peak    81 weight  1.00000E+00 volume  2.27321E+08 ppm1      2.031 ppm2      3.382
 ASSI {   82}
   (( resid 81   and name  HB2 ))
   (( resid 81   and name  HD2 ))

      4.000     2.200     0.000 peak    82 weight  1.00000E+00 volume  3.15490E+08 ppm1      2.029 ppm2      3.225
 ASSI {   84}
   (( resid 81   and name  HG1 ))
   (( resid 81   and name  HD2 ))

      4.000     2.200     0.000 peak    84 weight  1.00000E+00 volume  3.62783E+08 ppm1      1.752 ppm2      3.222
 ASSI {   85}
   (( resid 81   and name  HG2 ))
   (( resid 81   and name  HD2 ))

      4.000     2.200     0.000 peak    85 weight  1.00000E+00 volume  3.68711E+08 ppm1      1.793 ppm2      3.226
 ASSI {   90}
   (( resid 75   and name  HB1 ))
   (( resid 75   and name  HD2 ))

      4.000     2.200     0.000 peak    90 weight  1.00000E+00 volume  2.25563E+08 ppm1      1.884 ppm2      3.277
 ASSI {   91}
   (( resid 75   and name  HB2 ))
   (( resid 75   and name  HD2 ))

      4.000     2.200     0.000 peak    91 weight  1.00000E+00 volume  2.77518E+08 ppm1      1.746 ppm2      3.277
 ASSI {   94}
   (( resid 75   and name  HB1 ))
   (( resid 75   and name  HD1 ))

      4.000     2.200     0.000 peak    94 weight  1.00000E+00 volume  3.52477E+08 ppm1      1.878 ppm2      3.144
 ASSI {   95}
   (( resid 75   and name  HB2 ))
   (( resid 75   and name  HD1 ))

      4.000     2.200     0.000 peak    95 weight  1.00000E+00 volume  2.97331E+08 ppm1      1.747 ppm2      3.137
 ASSI {   96}
   (( resid 63   and name  HB2 ))
   (  resid 63   and name  HD# )

      4.000     2.200     0.000 peak    96 weight  1.00000E+00 volume  5.43242E+08 ppm1      1.887 ppm2      3.200
 ASSI {   97}
   (( resid 63   and name  HB1 ))
   (  resid 63   and name  HD# )

      4.000     2.200     0.000 peak    97 weight  1.00000E+00 volume  5.00083E+08 ppm1      1.829 ppm2      3.202
 ASSI {  100}
   (  resid 63   and name  HG# )
   (( resid 63   and name  HA  ))

      3.500     1.000     0.000 peak   100 weight  1.00000E+00 volume  9.37667E+08 ppm1      1.648 ppm2      4.248
 ASSI {  103}
   (( resid 86   and name  HB1 ))
   (( resid 86   and name  HA  ))

      2.800     1.000     0.000 peak   103 weight  1.00000E+00 volume  8.57692E+08 ppm1      1.685 ppm2      4.028
 ASSI {  108}
   (( resid 86   and name  HB1 ))
   (( resid 86   and name  HD2 ))

      4.000     2.200     0.000 peak   108 weight  1.00000E+00 volume  3.31827E+08 ppm1      1.686 ppm2      2.748
 ASSI {  109}
   (  resid 86   and name  HG# )
   (( resid 86   and name  HN  ))

      2.800     1.000     0.000 peak   109 weight  1.00000E+00 volume  8.54951E+08 ppm1      1.632 ppm2      8.521
 ASSI {  112}
   (( resid 23   and name  HB2 ))
   (( resid 23   and name  HG2 ))

      4.000     2.200     0.000 peak   112 weight  1.00000E+00 volume  3.11589E+08 ppm1      2.184 ppm2      2.501
 ASSI {  115}
   (( resid 71   and name  HG2 ))
   (( resid 71   and name  HD2 ))

      2.800     1.000     0.000 peak   115 weight  1.00000E+00 volume  6.66833E+08 ppm1      2.111 ppm2      3.608
 ASSI {  125}
   (( resid 27   and name  HB1 ))
   (( resid 26   and name  HB2 ))

      4.000     2.200     0.000 peak   125 weight  1.00000E+00 volume  2.35700E+08 ppm1      1.704 ppm2      2.395
 ASSI {  127}
   (( resid 77   and name  HB1 ))
   (( resid 77   and name  HA  ))

      2.800     1.000     0.000 peak   127 weight  1.00000E+00 volume  9.34581E+08 ppm1      1.863 ppm2      4.092
 ASSI {  131}
   (( resid 77   and name  HB1 ))
   (( resid 77   and name  HN  ))

      2.800     1.000     0.000 peak   131 weight  1.00000E+00 volume  6.78434E+08 ppm1      1.867 ppm2      8.130
 ASSI {  134}
   (( resid 60   and name  HB1 ))
   (( resid 57   and name  HA  ))

      2.800     1.000     0.000 peak   134 weight  1.00000E+00 volume  6.72186E+08 ppm1      1.974 ppm2      3.500
 ASSI {  135}
   (( resid 92   and name  HG1 ))
   (( resid 92   and name  HD1 ))

      2.800     1.000     0.000 peak   135 weight  1.00000E+00 volume  8.64535E+08 ppm1      1.958 ppm2      3.466
 ASSI {  138}
   (( resid 92   and name  HG1 ))
   (( resid 92   and name  HD2 ))

      2.800     1.000     0.000 peak   138 weight  1.00000E+00 volume  1.13205E+09 ppm1      1.958 ppm2      3.891
 ASSI {  140}
   (( resid 43   and name  HB1 ))
   (( resid 43   and name  HN  ))

      4.000     2.200     0.000 peak   140 weight  1.00000E+00 volume  5.61261E+08 ppm1      2.069 ppm2      8.021
 ASSI {  150}
   (( resid 63   and name  HB2 ))
   (( resid 64   and name  HN  ))

      4.000     2.200     0.000 peak   150 weight  1.00000E+00 volume  2.07687E+08 ppm1      1.892 ppm2      8.287
 ASSI {  151}
   (( resid 25   and name  HG  ))
   (( resid 25   and name  HA  ))

      4.000     2.200     0.000 peak   151 weight  1.00000E+00 volume  4.79002E+08 ppm1      1.739 ppm2      3.773
 ASSI {  152}
   (( resid 25   and name  HG  ))
   (( resid 25   and name  HN  ))

      5.000     2.200     0.000 peak   152 weight  1.00000E+00 volume  5.31290E+08 ppm1      1.734 ppm2      8.105
 ASSI {  153}
   (( resid 59   and name  HB2 ))
   (( resid 59   and name  HN  ))

      4.000     2.200     0.000 peak   153 weight  1.00000E+00 volume  1.52756E+08 ppm1      1.922 ppm2      7.403
 ASSI {  155}
   (( resid 79   and name  HB1 ))
   (( resid 80   and name  HN  ))

      4.000     2.200     0.000 peak   155 weight  1.00000E+00 volume  4.60014E+08 ppm1      1.994 ppm2      8.317
 ASSI {  157}
   (( resid 93   and name  HN ))
   (( resid 93   and name  HG1  ))

      4.000     2.200     0.000 peak   157 weight  1.00000E+00 volume  1.83266E+08 ppm1      2.203 ppm2      8.525
 ASSI {  161}
   (( resid 81   and name  HB2 ))
   (( resid 84   and name  HN  ))

      5.000     3.200     0.000 peak   161 weight  1.00000E+00 volume  9.15318E+07 ppm1      2.025 ppm2      7.487
 ASSI {  162}
   (( resid 81   and name  HB1 ))
   (( resid 84   and name  HN  ))

      5.000     3.200     0.000 peak   162 weight  1.00000E+00 volume  9.03092E+07 ppm1      2.038 ppm2      7.481
 ASSI {  164}
   (( resid 107  and name  HB1 ))
   (( resid 107  and name  HN  ))

      2.800     1.000     0.000 peak   164 weight  1.00000E+00 volume  9.09944E+08 ppm1      2.044 ppm2      8.492
 ASSI {  165}
   (( resid 82   and name  HB1 ))
   (( resid 79   and name  HA  ))

      4.000     2.200     0.000 peak   165 weight  1.00000E+00 volume  4.37586E+08 ppm1      2.304 ppm2      3.939
 ASSI {  167}
   (( resid 82   and name  HB1 ))
   (( resid 82   and name  HA  ))

      4.000     2.200     0.000 peak   167 weight  1.00000E+00 volume  4.20336E+08 ppm1      2.303 ppm2      3.983
 ASSI {  168}
   (( resid 11   and name  HG2 ))
   (( resid 9    and name  HD1 ))

      4.000     2.200     0.000 peak   168 weight  1.00000E+00 volume  3.86787E+08 ppm1      2.209 ppm2      3.761
 ASSI {  169}
   (( resid 11   and name  HG2 ))
   (( resid 9    and name  HD1 ))

      4.000     2.200     0.000 peak   169 weight  1.00000E+00 volume  3.53089E+08 ppm1      2.349 ppm2      3.759
 !ASSI {  172}
  ! (( resid 11   and name  HG2 ))
   !(( resid 11   and name  HG2 ))

   !   2.500     0.700     0.000 peak   172 weight  1.00000E+00 volume  1.94001E+09 ppm1      2.209 ppm2      2.357
 ASSI {  173}
   (( resid 27   and name  HB2 ))
   (( resid 27   and name  HA  ))

      2.800     1.000     0.000 peak   173 weight  1.00000E+00 volume  1.05541E+09 ppm1      1.892 ppm2      4.239
 ASSI {  178}
   (( resid 60   and name  HB1 ))
   (( resid 60   and name  HA  ))

      2.800     1.000     0.000 peak   178 weight  1.00000E+00 volume  7.22138E+08 ppm1      1.982 ppm2      4.132
 ASSI {  179}
   (( resid 60   and name  HB2 ))
   (( resid 60   and name  HA  ))

      4.000     2.200     0.000 peak   179 weight  1.00000E+00 volume  6.14833E+08 ppm1      1.854 ppm2      4.128
 ASSI {  182}
   (( resid 75   and name  HB2 ))
   (( resid 75   and name  HA  ))

      2.800     1.000     0.000 peak   182 weight  1.00000E+00 volume  6.71919E+08 ppm1      1.747 ppm2      3.665
 ASSI {  183}
   (( resid 60   and name  HB2 ))
   (( resid 57   and name  HA  ))

      4.000     2.200     0.000 peak   183 weight  1.00000E+00 volume  3.33974E+08 ppm1      1.868 ppm2      3.502
 ASSI {  186}
   (( resid 91   and name  HB  ))
   (( resid 91   and name  HN  ))

      4.000     2.200     0.000 peak   186 weight  1.00000E+00 volume  4.97592E+08 ppm1      2.105 ppm2      8.343
 ASSI {  188}
   (  resid 14   and name  HB# )
   (( resid 15   and name  HN  ))

      5.000     3.200     0.000 peak   188 weight  1.00000E+00 volume  1.43376E+08 ppm1      3.190 ppm2      8.507
 ASSI {  191}
   (( resid 20   and name  HA  ))
   (( resid 21   and name  HN  ))

      4.000     2.200     0.000 peak   191 weight  1.00000E+00 volume  1.69298E+08 ppm1      4.648 ppm2      8.508
 ASSI {  196}
   (( resid 14   and name  HA  ))
   (( resid 47   and name  HN  ))

      5.000     3.200     0.000 peak   196 weight  1.00000E+00 volume  1.47825E+08 ppm1      4.891 ppm2      8.151
 ASSI {  197}
   (( resid 14   and name  HA  ))
   (  resid 51   and name  HE# )

      6.000     4.200     0.000 peak   197 weight  1.00000E+00 volume  9.18017E+07 ppm1      4.898 ppm2      6.766
 ASSI {  199}
   (( resid 20   and name  HA  ))
   (( resid 20   and name  HD2 ))

      4.000     2.200     0.000 peak   199 weight  1.00000E+00 volume  4.07630E+08 ppm1      4.646 ppm2      7.122
 ASSI {  202}
   (( resid 19   and name  HB1 ))
   (( resid 20   and name  HD2 ))

      5.000     3.200     0.000 peak   202 weight  1.00000E+00 volume  1.37352E+08 ppm1      2.831 ppm2      7.123
 ASSI {  204}
   (( resid 47   and name  HA  ))
   (  resid 51   and name  HE# )

      5.000     3.200     0.000 peak   204 weight  1.00000E+00 volume  1.48170E+08 ppm1      4.476 ppm2      6.767
 ASSI {  212}
   (( resid 79   and name  HB1 ))
   (( resid 75   and name  HD1 ))

      4.000     2.200     0.000 peak   212 weight  1.00000E+00 volume  2.95856E+08 ppm1      1.984 ppm2      3.133
 ASSI {  217}
   (( resid 86   and name  HD1 ))
   (( resid 86   and name  HE  ))

      4.000     2.200     0.000 peak   217 weight  1.00000E+00 volume  2.17967E+08 ppm1      2.981 ppm2      7.010
 ASSI {  218}
   (( resid 86   and name  HG2 ))
   (( resid 86   and name  HE  ))

      4.000     2.200     0.000 peak   218 weight  1.00000E+00 volume  3.67643E+08 ppm1      1.625 ppm2      7.002
 ASSI {  221}
   (( resid 86   and name  HB1 ))
   (( resid 83   and name  HA  ))

      4.000     2.200     0.000 peak   221 weight  1.00000E+00 volume  4.02860E+08 ppm1      1.826 ppm2      4.374
 ASSI {  223}
   (( resid 83   and name  HB2 ))
   (( resid 80   and name  HA1 ))

      4.000     2.200     0.000 peak   223 weight  1.00000E+00 volume  1.96343E+08 ppm1      2.911 ppm2      3.901
 ASSI {  225}
   (( resid 75   and name  HB1 ))
   (( resid 75   and name  HA  ))

      2.800     1.000     0.000 peak   225 weight  1.00000E+00 volume  9.53435E+08 ppm1      1.880 ppm2      3.665
 ASSI {  227}
   (( resid 77   and name  HB2 ))
   (( resid 74   and name  HA  ))

      2.800     1.000     0.000 peak   227 weight  1.00000E+00 volume  9.09460E+08 ppm1      1.990 ppm2      4.014
 ASSI {  244}
   (( resid 40   and name  HA  ))
   (  resid 41   and name  HD# )

      5.000     3.200     0.000 peak   244 weight  1.00000E+00 volume  1.18795E+08 ppm1      4.428 ppm2      7.069
 ASSI {  248}
   (( resid 75   and name  HB2 ))
   (  resid 79   and name  HG# )

      4.000     2.200     0.000 peak   248 weight  1.00000E+00 volume  1.87638E+08 ppm1      1.735 ppm2      2.546
 ASSI {  249}
   (( resid 26   and name  HB2 ))
   (( resid 26   and name  HB1 ))

      2.800     1.000     0.000 peak   249 weight  1.00000E+00 volume  1.31765E+09 ppm1      2.409 ppm2      2.542
 ASSI {  250}
   (( resid 59   and name  HB2 ))
   (( resid 59   and name  HA  ))

      2.800     1.000     0.000 peak   250 weight  1.00000E+00 volume  1.07852E+09 ppm1      1.920 ppm2      4.003

 ASSI {  266}
   (  resid 8    and name  HG# )
   (( resid 8    and name  HA  ))

      5.000     3.200     0.000 peak   266 weight  1.00000E+00 volume  7.82792E+07 ppm1      2.248 ppm2      4.574
 ASSI {  268}
   (( resid 8    and name  HB1 ))
   (  resid 8    and name  HG# )

      4.000     2.200     0.000 peak   268 weight  1.00000E+00 volume  3.38360E+08 ppm1      1.833 ppm2      2.253
 ASSI {  272}
   (  resid 9    and name  HG# )
   (( resid 9    and name  HA  ))

      4.000     2.200     0.000 peak   272 weight  1.00000E+00 volume  5.81740E+08 ppm1      1.875 ppm2      4.382
 ASSI {  275}
   (  resid 106  and name  HG# )
   (( resid 106  and name  HN  ))

      5.000     3.200     0.000 peak   275 weight  1.00000E+00 volume  8.70925E+07 ppm1      2.403 ppm2      8.493
 ASSI {  276}
   (( resid 71   and name  HD1 ))
   (( resid 68   and name  HA  ))

      6.000     4.200     0.000 peak   276 weight  1.00000E+00 volume  2.41776E+07 ppm1      3.963 ppm2      4.582
 ASSI {  282}
   (( resid 92   and name  HB2 ))
   (( resid 92   and name  HD2 ))

      4.000     2.200     0.000 peak   282 weight  1.00000E+00 volume  2.22777E+08 ppm1      2.294 ppm2      3.898
 ASSI {  283}
   (( resid 92   and name  HB2 ))
   (( resid 92   and name  HD1 ))

      4.000     2.200     0.000 peak   283 weight  1.00000E+00 volume  1.81206E+08 ppm1      2.299 ppm2      3.466
 ASSI {  284}
   (( resid 71   and name  HG1 ))
   (  resid 71   and name  HB# )

      2.500     0.700     0.000 peak   284 weight  1.00000E+00 volume  1.76967E+09 ppm1      2.014 ppm2      2.383
 ASSI {  286}
   (( resid 71   and name  HG2 ))
   (( resid 71   and name  HD1 ))

      2.800     1.000     0.000 peak   286 weight  1.00000E+00 volume  8.66870E+08 ppm1      2.106 ppm2      3.966
 ASSI {  288}
   (  resid 60   and name  HD1#)
   (  resid 75   and name  HG# )

      4.000     2.200     0.000 peak   288 weight  1.00000E+00 volume  9.04305E+08 ppm1      0.826 ppm2      1.400
 ASSI {  290}
   (( resid 63   and name  HA  ))
   (( resid 63   and name  HN  ))

      4.000     2.200     0.000 peak   290 weight  1.00000E+00 volume  5.50215E+08 ppm1      4.262 ppm2      8.025
 ASSI {  291}
   (( resid 60   and name  HG  ))
   (( resid 60   and name  HN  ))

      5.000     3.200     0.000 peak   291 weight  1.00000E+00 volume  9.07721E+07 ppm1      1.511 ppm2      7.744
 ASSI {  293}
   (( resid 23   and name  HB1 ))
   (( resid 23   and name  HN  ))

      4.000     2.200     0.000 peak   293 weight  1.00000E+00 volume  5.45829E+08 ppm1      2.253 ppm2      8.061
 ASSI {  298}
   (( resid 37   and name  HB1 ))
   (( resid 37   and name  HN  ))

      4.000     2.200     0.000 peak   298 weight  1.00000E+00 volume  2.73758E+08 ppm1      2.828 ppm2      7.990
 ASSI {  299}
   (( resid 37   and name  HB2 ))
   (( resid 37   and name  HN  ))

      4.000     2.200     0.000 peak   299 weight  1.00000E+00 volume  3.21296E+08 ppm1      2.754 ppm2      7.990
 ASSI {  301}
   (( resid 58   and name  HB2 ))
   (( resid 59   and name  HN  ))

      5.000     3.200     0.000 peak   301 weight  1.00000E+00 volume  1.09945E+08 ppm1      1.870 ppm2      7.401
set echo on message on end 
ASSI {   29}
   (  resid 57   and name  HG1#)
   (  resid 57   and name  HG2#)

      4.000     2.200     0.000 peak    29 weight  1.00000E+00 volume  2.48827E+09 ppm1      1.071 ppm2      0.836
 OR {   29}
   (( resid 48   and name  HG  ))
   (  resid 57   and name  HG2#)
 ASSI {   37}
   (( resid 90   and name  HA  ))
   (( resid 90   and name  HB1 ))

      2.800     1.000     0.000 peak    37 weight  1.00000E+00 volume  1.02107E+09 ppm1      4.400 ppm2      3.789
 OR {   37}
   (( resid 90   and name  HA  ))
   (( resid 5    and name  HB1 ))
 OR {   37}
   (( resid 5    and name  HA  ))
   (( resid 90   and name  HB1 ))
 OR {   37}
   (( resid 5    and name  HA  ))
   (( resid 5    and name  HB1 ))
 ASSI {   38}
   (  resid 41   and name  HE# )
   (  resid 41   and name  HD# )

      2.800     1.000     0.000 peak    38 weight  1.00000E+00 volume  3.67358E+09 ppm1      7.142 ppm2      7.070
 OR {   38}
   (( resid 41   and name  HZ  ))
   (  resid 41   and name  HD# )
 ASSI {   67}
   (( resid 81   and name  HN  ))
   (( resid 51   and name  HB1 ))

      4.000     2.200     0.000 peak    67 weight  1.00000E+00 volume  2.19388E+08 ppm1      7.710 ppm2      3.473
 OR {   67}
   (( resid 81   and name  HN  ))
   (( resid 78   and name  HA  ))
 ASSI {  152}
   (( resid 53   and name  HA  ))
   (  resid 53   and name  HB# )

      4.000     2.200     0.000 peak   152 weight  1.00000E+00 volume  2.95244E+08 ppm1      4.519 ppm2      1.705
 OR {  152}
   (( resid 53   and name  HA  ))
   (( resid 53   and name  HG  ))
 ASSI {  169}
   (( resid 86   and name  HB1 ))
   (  resid 85   and name  HG2#)

      4.000     2.200     0.000 peak   169 weight  1.00000E+00 volume  7.13822E+08 ppm1      1.658 ppm2      0.427
 OR {  169}
   (( resid 86   and name  HB1 ))
   (  resid 85   and name  HD1#)
 ASSI {  380}
   (( resid 89   and name  HA  ))
   (  resid 84   and name  HD2#)

      5.000     3.200     0.000 peak   380 weight  1.00000E+00 volume  2.44212E+08 ppm1      4.400 ppm2      0.852
 OR {  380}
   (( resid 90   and name  HA  ))
   (  resid 84   and name  HD2#)
 ASSI {  406}
   (( resid 37   and name  HN  ))
   (( resid 37   and name  HA  ))

      4.000     2.200     0.000 peak   406 weight  1.00000E+00 volume  4.62907E+08 ppm1      7.994 ppm2      4.168
 OR {  406}
   (( resid 37   and name  HN  ))
   (( resid 34   and name  HA  ))
 ASSI {  411}
   (( resid 35   and name  HN  ))
   (( resid 58   and name  HD1 ))

      4.000     2.200     0.000 peak   411 weight  1.00000E+00 volume  3.58130E+08 ppm1      7.901 ppm2      1.577
 OR {  411}
   (( resid 35   and name  HN  ))
   (  resid 34   and name  HB# )
 OR {  411}
   (( resid 58   and name  HN  ))
   (( resid 58   and name  HD1 ))
 OR {  411}
   (( resid 58   and name  HN  ))
   (  resid 34   and name  HB# )
 ASSI {  449}
   (( resid 53   and name  HN  ))
   (  resid 53   and name  HB# )

      2.800     1.000     0.000 peak   449 weight  1.00000E+00 volume  3.81804E+08 ppm1      8.133 ppm2      1.696
 OR {  449}
   (( resid 53   and name  HN  ))
   (( resid 53   and name  HG  ))
 ASSI {  454}
   (  resid 53   and name  HB# )
   (  resid 53   and name  HD2#)

      4.000     2.200     0.000 peak   454 weight  1.00000E+00 volume  1.65095E+09 ppm1      1.701 ppm2      0.881
 OR {  454}
   (( resid 53   and name  HG  ))
   (  resid 53   and name  HD2#)
 ASSI {  455}
   (  resid 53   and name  HB# )
   (  resid 53   and name  HD1#)

      4.000     2.200     0.000 peak   455 weight  1.00000E+00 volume  1.84894E+09 ppm1      1.703 ppm2      0.770
 OR {  455}
   (( resid 53   and name  HG  ))
   (  resid 53   and name  HD1#)
 ASSI {  496}
   (( resid 87   and name  HN  ))
   (( resid 84   and name  HA  ))

      4.000     2.200     0.000 peak   496 weight  1.00000E+00 volume  6.00936E+08 ppm1      7.700 ppm2      4.013
 OR {  496}
   (( resid 87   and name  HN  ))
   (( resid 59   and name  HA  ))
 OR {  496}
   (( resid 62   and name  HN  ))
   (( resid 84   and name  HA  ))
 OR {  496}
   (( resid 62   and name  HN  ))
   (( resid 59   and name  HA  ))
 ASSI {  514}
   (  resid 41   and name  HD# )
   (( resid 38   and name  HA  ))

      4.000     2.200     0.000 peak   514 weight  1.00000E+00 volume  3.37436E+08 ppm1      7.071 ppm2      3.869
 OR {  514}
   (  resid 41   and name  HD# )
   (( resid 17   and name  HA  ))
 ASSI {  517}
   (( resid 37   and name  HZ  ))
   (  resid 37   and name  HD# )

      2.800     1.000     0.000 peak   517 weight  1.00000E+00 volume  3.76736E+09 ppm1      7.003 ppm2      6.891
 OR {  517}
   (  resid 37   and name  HE# )
   (  resid 37   and name  HD# )
 ASSI {  530}
   (  resid 51   and name  HD# )
   (( resid 14   and name  HB1 ))

      6.000     4.200     0.000 peak   530 weight  1.00000E+00 volume  9.25881E+07 ppm1      7.262 ppm2      3.174
 OR {  530}
   (  resid 51   and name  HD# )
   (( resid 47   and name  HB1 ))
 !ASSI {  539}
 ! (  resid 37   and name  HD# )
 ! (( resid 38   and name  HA  ))
!
!      5.000     3.200     0.000 peak   539 weight  1.00000E+00 volume  1.39422E+08 ppm1      6.889 ppm2      3.869
! OR {  539}
 !  (  resid 37   and name  HD# )
!   (( resid 17   and name  HA  ))
 ASSI {  544}
   (( resid 51   and name  HN  ))
   (( resid 85   and name  HB  ))

      5.000     3.200     0.000 peak   544 weight  1.00000E+00 volume  1.14051E+08 ppm1      6.892 ppm2      1.618
 OR {  544}
   (( resid 51   and name  HN  ))
   (( resid 50   and name  HD1 ))
 ASSI {  545}
   (  resid 37   and name  HD# )
   (  resid 60   and name  HD1#)

      6.000     4.200     0.000 peak   545 weight  1.00000E+00 volume  2.05623E+08 ppm1      6.888 ppm2      0.828
 OR {  545}
   (  resid 37   and name  HD# )
   (  resid 21   and name  HD1#)
 ASSI {  563}
   (  resid 22   and name  HD# )
   (( resid 21   and name  HG  ))

      4.000     2.200     0.000 peak   563 weight  1.00000E+00 volume  4.35965E+08 ppm1      6.954 ppm2      1.536
 OR {  563}
   (  resid 22   and name  HD# )
   (( resid 82   and name  HG  ))
 ASSI {  578}
   (  resid 51   and name  HE# )
   (  resid 84   and name  HD2#)

      6.000     4.200     0.000 peak   578 weight  1.00000E+00 volume  1.38506E+08 ppm1      6.776 ppm2      0.851
 OR {  578}
   (  resid 51   and name  HE# )
   (  resid 82   and name  HD1#)
 ASSI {  588}
   (  resid 51   and name  HD# )
   (  resid 84   and name  HD1#)

      5.000     3.200     0.000 peak   588 weight  1.00000E+00 volume  3.63904E+08 ppm1      7.262 ppm2      0.978
 OR {  588}
   (  resid 51   and name  HD# )
   (  resid 91   and name  HG2#)
 ASSI {  589}
   (  resid 51   and name  HE# )
   (  resid 84   and name  HD1#)

      6.000     4.200     0.000 peak   589 weight  1.00000E+00 volume  2.17106E+08 ppm1      6.769 ppm2      0.979
 OR {  589}
   (  resid 51   and name  HE# )
   (  resid 91   and name  HG2#)
 ASSI {  592}
   (( resid 90   and name  HA  ))
   (  resid 84   and name  HD1#)

      5.000     3.200     0.000 peak   592 weight  1.00000E+00 volume  3.71677E+08 ppm1      4.401 ppm2      0.978
 OR {  592}
   (( resid 90   and name  HA  ))
   (  resid 91   and name  HG2#)
 ASSI {  594}
   (  resid 41   and name  HD# )
   (  resid 58   and name  HD# )

      5.000     3.200     0.000 peak   594 weight  1.00000E+00 volume  2.70080E+08 ppm1      7.069 ppm2      1.575
 OR {  594}
   (  resid 41   and name  HD# )
   (  resid 34   and name  HB# )
 ASSI {  595}
   (  resid 41   and name  HE# )
   (( resid 37   and name  HA  ))

      4.000     2.200     0.000 peak   595 weight  1.00000E+00 volume  2.98148E+08 ppm1      7.145 ppm2      4.165
 OR {  595}
   (( resid 41   and name  HZ  ))
   (( resid 37   and name  HA  ))
 ASSI {  598}
   (  resid 24   and name  HE# )
   (  resid 58   and name  HD# )

      5.000     3.200     0.000 peak   598 weight  1.00000E+00 volume  1.93987E+08 ppm1      7.146 ppm2      1.576
 OR {  598}
   (  resid 24   and name  HE# )
   (  resid 34   and name  HB# )
 OR {  598}
   (  resid 41   and name  HE# )
   (  resid 58   and name  HD# )
 OR {  598}
   (  resid 41   and name  HE# )
   (  resid 34   and name  HB# )
 OR {  598}
   (( resid 41   and name  HZ  ))
   (  resid 58   and name  HD# )
 OR {  598}
   (( resid 41   and name  HZ  ))
   (  resid 34   and name  HB# )
 ASSI {  602}
   (( resid 37   and name  HZ  ))
   (( resid 37   and name  HA  ))

      4.000     2.200     0.000 peak   602 weight  1.00000E+00 volume  2.34394E+08 ppm1      7.002 ppm2      4.168
 OR {  602}
   (  resid 37   and name  HE# )
   (( resid 37   and name  HA  ))
 ASSI {  604}
   (( resid 37   and name  HZ  ))
   (( resid 20   and name  HB2 ))

      5.000     3.200     0.000 peak   604 weight  1.00000E+00 volume  1.63603E+08 ppm1      7.002 ppm2      3.447
 OR {  604}
   (  resid 37   and name  HE# )
   (( resid 20   and name  HB2 ))
 ASSI {  608}
   (( resid 37   and name  HZ  ))
   (  resid 17   and name  HG2#)

      6.000     4.200     0.000 peak   608 weight  1.00000E+00 volume  1.73309E+08 ppm1      7.003 ppm2      0.984
 OR {  608}
   (  resid 37   and name  HE# )
   (  resid 17   and name  HG2#)
 ASSI {  616}
   (( resid 54   and name  HA  ))
   (  resid 53   and name  HD2#)

      4.000     2.200     0.000 peak   616 weight  1.00000E+00 volume  6.50408E+08 ppm1      3.764 ppm2      0.873
 OR {  616}
   (( resid 54   and name  HA  ))
   (  resid 48   and name  HD1#)
 ASSI {  629}
   (( resid 71   and name  HD2 ))
   (  resid 70   and name  HG2#)

      4.000     2.200     0.000 peak   629 weight  1.00000E+00 volume  8.22219E+08 ppm1      3.608 ppm2      0.949
 OR {  629}
   (( resid 71   and name  HD2 ))
   (  resid 74   and name  HD# )
 ASSI {  634}
   (( resid 22   and name  HA  ))
   (  resid 21   and name  HD1#)

      4.000     2.200     0.000 peak   634 weight  1.00000E+00 volume  5.10114E+08 ppm1      3.630 ppm2      0.717
 OR {  634}
   (( resid 22   and name  HA  ))
   (  resid 25   and name  HD1#)
 ASSI {  649}
   (( resid 60   and name  HB2 ))
   (  resid 78   and name  HG2#)

      4.000     2.200     0.000 peak   649 weight  1.00000E+00 volume  1.40556E+09 ppm1      1.859 ppm2      0.942
 OR {  649}
   (( resid 60   and name  HB2 ))
   (  resid 74   and name  HD# )
 ASSI {  671}
   (( resid 92   and name  HB2 ))
   (( resid 92   and name  HG2 ))

      2.800     1.000     0.000 peak   671 weight  1.00000E+00 volume  8.70217E+08 ppm1      2.299 ppm2      1.695
 OR {  671}
   (( resid 92   and name  HB2 ))
   (( resid 92   and name  HB1 ))
 ASSI {  680}
   (( resid 81   and name  HA  ))
   (  resid 84   and name  HD1#)

      4.000     2.200     0.000 peak   680 weight  1.00000E+00 volume  6.17520E+08 ppm1      4.240 ppm2      0.978
 OR {  680}
   (( resid 81   and name  HA  ))
   (  resid 91   and name  HG2#)
 ASSI {  696}
   (( resid 64   and name  HN  ))
   (( resid 64   and name  HA  ))

      4.000     2.200     0.000 peak   696 weight  1.00000E+00 volume  3.09417E+08 ppm1      8.290 ppm2      4.345
 OR {  696}
   (( resid 64   and name  HN  ))
   (( resid 65   and name  HA  ))
 ASSI {  709}
   (( resid 29   and name  HN  ))
   (( resid 44   and name  HB2 ))

      4.000     2.200     0.000 peak   709 weight  1.00000E+00 volume  4.41859E+08 ppm1      8.091 ppm2      3.844
 OR {  709}
   (( resid 29   and name  HN  ))
   (( resid 28   and name  HA  ))
 OR {  709}
   (( resid 45   and name  HN  ))
   (( resid 44   and name  HB2 ))
 OR {  709}
   (( resid 45   and name  HN  ))
   (( resid 28   and name  HA  ))
 ASSI {  721}
   (( resid 75   and name  HN  ))
   (( resid 75   and name  HB2 ))

      4.000     2.200     0.000 peak   721 weight  1.00000E+00 volume  1.79805E+08 ppm1      8.701 ppm2      1.749
 OR {  721}
   (( resid 75   and name  HN  ))
   (( resid 74   and name  HB2 ))
 ASSI {  769}
   (( resid 62   and name  HA  ))
   (  resid 61   and name  HG2#)

      5.000     3.200     0.000 peak   769 weight  1.00000E+00 volume  3.17481E+08 ppm1      4.296 ppm2      0.828
 OR {  769}
   (( resid 62   and name  HA  ))
   (  resid 60   and name  HD1#)
 ASSI {  803}
   (  resid 21   and name  HD1#)
   (  resid 85   and name  HG2#)

      5.000     3.200     0.000 peak   803 weight  1.00000E+00 volume  6.07226E+08 ppm1      0.736 ppm2      0.486
 OR {  803}
   (  resid 21   and name  HD1#)
   (  resid 85   and name  HD1#)
 ASSI {  885}
   (( resid 22   and name  HN  ))
   (  resid 22   and name  HD# )

      5.000     3.200     0.000 peak   885 weight  1.00000E+00 volume  2.83717E+08 ppm1      8.494 ppm2      6.956
 OR {  885}
   (( resid 22   and name  HN  ))
   (  resid 24   and name  HD# )
 ASSI {  895}
   (( resid 71   and name  HD1 ))
   (  resid 70   and name  HG2#)

      4.000     2.200     0.000 peak   895 weight  1.00000E+00 volume  1.60657E+09 ppm1      3.965 ppm2      0.950
 OR {  895}
   (( resid 71   and name  HD1 ))
   (  resid 74   and name  HD# )
 ASSI {  912}
   (( resid 92   and name  HG1 ))
   (( resid 92   and name  HG2 ))

      2.800     1.000     0.000 peak   912 weight  1.00000E+00 volume  6.73445E+08 ppm1      1.957 ppm2      1.697
 OR {  912}
   (( resid 92   and name  HG1 ))
   (( resid 92   and name  HB1 ))
 ASSI {  922}
   (( resid 20   and name  HN  ))
   (  resid 24   and name  HE# )

      5.000     3.200     0.000 peak   922 weight  1.00000E+00 volume  1.66171E+08 ppm1      8.228 ppm2      7.127
 OR {  922}
   (( resid 20   and name  HN  ))
   (  resid 41   and name  HE# )
 OR {  922}
   (( resid 20   and name  HN  ))
   (( resid 41   and name  HZ  ))
 ASSI {  923}
   (( resid 20   and name  HB1 ))
   (( resid 38   and name  HA  ))

      5.000     3.200     0.000 peak   923 weight  1.00000E+00 volume  2.78701E+08 ppm1      3.259 ppm2      3.870
 OR {  923}
   (( resid 20   and name  HB1 ))
   (( resid 17   and name  HA  ))
 ASSI {  924}
   (( resid 37   and name  HZ  ))
   (( resid 20   and name  HB1 ))

      5.000     3.200     0.000 peak   924 weight  1.00000E+00 volume  1.95565E+08 ppm1      7.001 ppm2      3.255
 OR {  924}
   (  resid 37   and name  HE# )
   (( resid 20   and name  HB1 ))
 ASSI {  925}
   (( resid 20   and name  HB2 ))
   (( resid 38   and name  HA  ))

      4.000     2.200     0.000 peak   925 weight  1.00000E+00 volume  6.91144E+08 ppm1      3.444 ppm2      3.873
 OR {  925}
   (( resid 20   and name  HB2 ))
   (( resid 17   and name  HA  ))
 ASSI {  940}
   (( resid 21   and name  HN  ))
   (( resid 37   and name  HZ  ))

      5.000     3.200     0.000 peak   940 weight  1.00000E+00 volume  1.66140E+08 ppm1      8.513 ppm2      7.006
 OR {  940}
   (( resid 21   and name  HN  ))
   (  resid 37   and name  HE# )
 ASSI { 1000}
   (( resid 20   and name  HD2 ))
   (( resid 38   and name  HA  ))

      4.000     2.200     0.000 peak  1000 weight  1.00000E+00 volume  2.08105E+08 ppm1      7.123 ppm2      3.870
 OR { 1000}
   (( resid 20   and name  HD2 ))
   (( resid 17   and name  HA  ))
 ASSI { 1082}
   (( resid 41   and name  HB1 ))
   (  resid 17   and name  HD1#)

      5.000     3.200     0.000 peak  1082 weight  1.00000E+00 volume  2.27163E+08 ppm1      2.836 ppm2      0.871
 OR { 1082}
   (( resid 41   and name  HB1 ))
   (  resid 48   and name  HD1#)
 ASSI { 1108}
   (( resid 57   and name  HB  ))
   (  resid 53   and name  HD2#)

      4.000     2.200     0.000 peak  1108 weight  1.00000E+00 volume  1.02543E+09 ppm1      2.116 ppm2      0.872
 OR { 1108}
   (( resid 57   and name  HB  ))
   (  resid 17   and name  HD1#)
 OR { 1108}
   (( resid 57   and name  HB  ))
   (  resid 48   and name  HD1#)
 ASSI { 1113}
   (( resid 17   and name  HA  ))
   (  resid 60   and name  HD1#)

      5.000     3.200     0.000 peak  1113 weight  1.00000E+00 volume  4.40657E+08 ppm1      3.862 ppm2      0.827
 OR { 1113}
   (( resid 17   and name  HA  ))
   (  resid 21   and name  HD1#)
 ASSI { 1205}
   (( resid 67   and name  HB1 ))
   (  resid 65   and name  HB# )

      4.000     2.200     0.000 peak  1205 weight  1.00000E+00 volume  5.69732E+08 ppm1      1.985 ppm2      1.407
 OR { 1205}
   (( resid 67   and name  HB1 ))
   (  resid 64   and name  HB# )
 ASSI { 1212}
   (( resid 20   and name  HN  ))
   (( resid 37   and name  HB2 ))

      4.000     2.200     0.000 peak  1212 weight  1.00000E+00 volume  1.54185E+08 ppm1      8.231 ppm2      2.760
 OR { 1212}
   (( resid 20   and name  HN  ))
   (( resid 40   and name  HB2 ))
 OR { 1212}
   (( resid 38   and name  HN  ))
   (( resid 37   and name  HB2 ))
 OR { 1212}
   (( resid 38   and name  HN  ))
   (( resid 40   and name  HB2 ))
 ASSI { 1213}
   (( resid 17   and name  HN  ))
   (  resid 39   and name  HB# )

      5.000     3.200     0.000 peak  1213 weight  1.00000E+00 volume  8.76981E+07 ppm1      7.780 ppm2      2.971
 OR { 1213}
   (( resid 40   and name  HE1 ))
   (  resid 39   and name  HB# )
 ASSI { 1239}
   (( resid 96   and name  HB  ))
   (  resid 97   and name  HB# )

      4.000     2.200     0.000 peak  1239 weight  1.00000E+00 volume  4.73133E+08 ppm1      2.044 ppm2      1.330
 OR { 1239}
   (( resid 96   and name  HB  ))
   (  resid 56   and name  HB# )
 OR { 1239}
   (  resid 55   and name  HB# )
   (  resid 97   and name  HB# )
 OR { 1239}
   (  resid 55   and name  HB# )
   (  resid 56   and name  HB# )
 ASSI { 1272}
   (( resid 56   and name  HN  ))
   (  resid 53   and name  HD1#)

      6.000     4.200     0.000 peak  1272 weight  1.00000E+00 volume  6.70205E+07 ppm1      8.404 ppm2      0.772
 OR { 1272}
   (( resid 56   and name  HN  ))
   (  resid 78   and name  HG1#)
 ASSI { 1284}
   (( resid 71   and name  HA  ))
   (  resid 70   and name  HG# )

      5.000     3.200     0.000 peak  1284 weight  1.00000E+00 volume  2.44624E+08 ppm1      4.432 ppm2      0.952
 OR { 1284}
   (( resid 71   and name  HA  ))
   (  resid 74   and name  HD1#)
 ASSI { 1311}
   (( resid 47   and name  HA  ))
   (  resid 50   and name  HD# )

      4.000     2.200     0.000 peak  1311 weight  1.00000E+00 volume  1.96745E+08 ppm1      4.478 ppm2      1.630
 OR { 1311}
   (( resid 47   and name  HA  ))
   (( resid 17   and name  HG12))
 ASSI { 1357}
   (( resid 68   and name  HA  ))
   (  resid 63   and name  HD# )

      4.000     2.200     0.000 peak  1357 weight  1.00000E+00 volume  1.71437E+08 ppm1      4.595 ppm2      3.208
 OR { 1357}
   (( resid 69   and name  HA  ))
   (  resid 63   and name  HD# )
 ASSI { 1374}
   (( resid 60   and name  HB2 ))
   (  resid 57   and name  HG1#)

      5.000     3.200     0.000 peak  1374 weight  1.00000E+00 volume  3.02530E+08 ppm1      1.853 ppm2      1.071
 OR { 1374}
   (( resid 54   and name  HB2 ))
   (  resid 57   and name  HG1#)
 ASSI { 1379}
   (  resid 41   and name  HE# )
   (  resid 61   and name  HG2#)

      6.000     4.200     0.000 peak  1379 weight  1.00000E+00 volume  2.39882E+08 ppm1      7.145 ppm2      0.826
 OR { 1379}
   (  resid 41   and name  HE# )
   (  resid 21   and name  HD1#)
 ASSI { 1391}
   (( resid 37   and name  HZ  ))
   (  resid 60   and name  HD1#)

      5.000     3.200     0.000 peak  1391 weight  1.00000E+00 volume  3.74151E+08 ppm1      7.005 ppm2      0.804
 OR { 1391}
   (  resid 37   and name  HE# )
   (  resid 60   and name  HD1#)
 ASSI { 1403}
   (( resid 97   and name  HA  ))
   (  resid 70   and name  HG# )

      4.000     2.200     0.000 peak  1403 weight  1.00000E+00 volume  5.57301E+08 ppm1      4.264 ppm2      0.949
 OR { 1403}
   (( resid 97   and name  HA  ))
   (  resid 78   and name  HG2#)
 OR { 1403}
   (( resid 97   and name  HA  ))
   (  resid 74   and name  HD# )
 ASSI { 1410}
   (( resid 30   and name  HB1 ))
   (( resid 30   and name  HB2 ))

      4.000     2.200     0.000 peak  1410 weight  1.00000E+00 volume  2.31341E+08 ppm1      2.284 ppm2      2.000
 OR { 1410}
   (( resid 30   and name  HB1 ))
   (( resid 30   and name  HG2 ))
 ASSI {   54}
   (( resid 85   and name  HN  ))
   (  resid 85   and name  HG2#)

      4.000     2.200     0.000 peak    54 weight  1.00000E+00 volume  1.67757E+09 ppm1      8.051 ppm2      0.451
 OR {   54}
   (( resid 85   and name  HN  ))
   (  resid 85   and name  HD1#)
 ASSI {   84}
   (( resid 79   and name  HN  ))
   (  resid 79   and name  HE# )

      4.000     2.200     0.000 peak    84 weight  1.00000E+00 volume  2.97452E+09 ppm1      8.625 ppm2      1.988
 OR {   84}
   (( resid 79   and name  HN  ))
   (( resid 79   and name  HB1 ))
 ASSI {   88}
   (( resid 77   and name  HN  ))
   (( resid 75   and name  HB1 ))

      2.800     1.000     0.000 peak    88 weight  1.00000E+00 volume  1.82510E+09 ppm1      8.112 ppm2      1.866
 OR {   88}
   (( resid 77   and name  HN  ))
   (( resid 77   and name  HB1 ))
 ASSI {   90}
   (( resid 77   and name  HN  ))
   (  resid 76   and name  HB# )

      2.800     1.000     0.000 peak    90 weight  1.00000E+00 volume  2.37731E+09 ppm1      8.112 ppm2      1.446
 OR {   90}
   (( resid 77   and name  HN  ))
   (  resid 77   and name  HG# )
 ASSI {  220}
   (( resid 62   and name  HN  ))
   (( resid 61   and name  HN  ))

      2.800     1.000     0.000 peak   220 weight  1.00000E+00 volume  2.24105E+09 ppm1      7.712 ppm2      7.998
 OR {  220}
   (( resid 62   and name  HN  ))
   (  resid 62   and name  HZ# )
 ASSI {  245}
   (( resid 82   and name  HN  ))
   (  resid 22   and name  HD# )

      5.000     3.200     0.000 peak   245 weight  1.00000E+00 volume  2.66365E+08 ppm1      8.581 ppm2      6.946
 OR {  245}
   (( resid 82   and name  HN  ))
   (  resid 24   and name  HD# )
 ASSI {  300}
   (( resid 65   and name  HN  ))
   (  resid 65   and name  HB# )

      4.000     2.200     0.000 peak   300 weight  1.00000E+00 volume  2.17075E+09 ppm1      8.226 ppm2      1.406
 OR {  300}
   (( resid 65   and name  HN  ))
   (  resid 64   and name  HB# )
 ASSI {  348}
   (( resid 45   and name  HN  ))
   (( resid 45   and name  HB1 ))

      2.800     1.000     0.000 peak   348 weight  1.00000E+00 volume  1.38921E+09 ppm1      8.095 ppm2      3.812
 OR {  348}
   (( resid 45   and name  HN  ))
   (  resid 44   and name  HB# )
 ASSI {  418}
   (( resid 19   and name  HN  ))
   (( resid 16   and name  HA  ))

      2.800     1.000     0.000 peak   418 weight  1.00000E+00 volume  1.70786E+09 ppm1      8.113 ppm2      4.065
 OR {  418}
   (( resid 19   and name  HN  ))
   (( resid 18   and name  HA  ))
 ASSI {  427}
   (( resid 23   and name  HN  ))
   (( resid 22   and name  HA  ))

      2.800     1.000     0.000 peak   427 weight  1.00000E+00 volume  1.33280E+09 ppm1      8.074 ppm2      3.613
 OR {  427}
   (( resid 23   and name  HN  ))
   (( resid 30   and name  HD1 ))
 OR {  427}
   (( resid 29   and name  HN  ))
   (( resid 22   and name  HA  ))
 OR {  427}
   (( resid 29   and name  HN  ))
   (( resid 30   and name  HD1 ))
 ASSI {  436}
   (( resid 93   and name  HN  ))
   (( resid 75   and name  HB2 ))

      4.000     2.200     0.000 peak   436 weight  1.00000E+00 volume  8.34505E+08 ppm1      8.519 ppm2      1.736
 OR {  436}
   (( resid 93   and name  HN  ))
   (( resid 74   and name  HB2 ))
 OR {  436}
   (( resid 93   and name  HN  ))
   (( resid 92   and name  HG2 ))
 OR {  436}
   (( resid 93   and name  HN  ))
   (( resid 92   and name  HB1 ))
 ASSI {  459}
   (( resid 28   and name  HN  ))
   (( resid 24   and name  HA  ))

      2.800     1.000     0.000 peak   459 weight  1.00000E+00 volume  1.31169E+09 ppm1      7.868 ppm2      4.224
 OR {  459}
   (( resid 28   and name  HN  ))
   (( resid 27   and name  HA  ))
 ASSI {  481}
   (( resid 43   and name  HN  ))
   (( resid 42   and name  HB2 ))

      2.800     1.000     0.000 peak   481 weight  1.00000E+00 volume  2.15463E+09 ppm1      8.012 ppm2      2.065
 OR {  481}
   (( resid 43   and name  HN  ))
   (( resid 43   and name  HB1 ))
 ASSI {  541}
   (( resid 74   and name  HN  ))
   (( resid 74   and name  HG  ))

      2.800     1.000     0.000 peak   541 weight  1.00000E+00 volume  1.87606E+09 ppm1      7.594 ppm2      1.588
 OR {  541}
   (( resid 74   and name  HN  ))
   (( resid 74   and name  HB1 ))
 ASSI {  553}
   (( resid 76   and name  HN  ))
   (( resid 75   and name  HB2 ))

      2.800     1.000     0.000 peak   553 weight  1.00000E+00 volume  1.52403E+09 ppm1      8.007 ppm2      1.741
 OR {  553}
   (( resid 76   and name  HN  ))
   (( resid 74   and name  HB2 ))
 ASSI {  587}
   (( resid 86   and name  HN  ))
   (  resid 86   and name  HG# )

      2.800     1.000     0.000 peak   587 weight  1.00000E+00 volume  2.61263E+09 ppm1      8.478 ppm2      1.621
 OR {  587}
   (( resid 86   and name  HN  ))
   (( resid 86   and name  HB1 ))
 ASSI {  710}
   (( resid 25   and name  HN  ))
   (  resid 25   and name  HD2#)

      4.000     2.200     0.000 peak   710 weight  1.00000E+00 volume  1.72070E+09 ppm1      8.110 ppm2      0.741
 OR {  710}
   (( resid 25   and name  HN  ))
   (  resid 25   and name  HD1#)
 ASSI {  747}
   (( resid 60   and name  HN  ))
   (  resid 59   and name  HD# )

      4.000     2.200     0.000 peak   747 weight  1.00000E+00 volume  5.69979E+08 ppm1      7.723 ppm2      1.608
 OR {  747}
   (( resid 60   and name  HN  ))
   (( resid 74   and name  HB1 ))
 ASSI {  750}
   (( resid 54   and name  HN  ))
   (  resid 53   and name  HD2#)

      5.000     3.200     0.000 peak   750 weight  1.00000E+00 volume  5.00073E+08 ppm1      8.498 ppm2      0.865
 OR {  750}
   (( resid 54   and name  HN  ))
   (  resid 48   and name  HD1#)
 ASSI {  764}
   (( resid 49   and name  HN  ))
   (  resid 48   and name  HD1#)

      6.000     4.200     0.000 peak   764 weight  1.00000E+00 volume  1.77550E+08 ppm1      8.834 ppm2      0.869
 OR {  764}
   (( resid 49   and name  HN  ))
   (  resid 57   and name  HG2#)
 ASSI {  772}
   (( resid 44   and name  HN  ))
   (  resid 17   and name  HD1#)

      6.000     4.200     0.000 peak   772 weight  1.00000E+00 volume  2.67312E+08 ppm1      7.900 ppm2      0.867
 OR {  772}
   (( resid 44   and name  HN  ))
   (  resid 48   and name  HD1#)
 ASSI {  797}
   (( resid 84   and name  HN  ))
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak   797 weight  1.00000E+00 volume  1.99341E+08 ppm1      7.492 ppm2      0.453
 OR {  797}
   (( resid 84   and name  HN  ))
   (  resid 85   and name  HD1#)
 ASSI {  846}
   (( resid 48   and name  HN  ))
   (( resid 45   and name  HB1 ))

      4.000     2.200     0.000 peak   846 weight  1.00000E+00 volume  3.20586E+08 ppm1      7.959 ppm2      3.811
 OR {  846}
   (( resid 48   and name  HN  ))
   (( resid 44   and name  HB1 ))
 ASSI {  859}
   (( resid 25   and name  HN  ))
   (( resid 76   and name  HA  ))

      4.000     2.200     0.000 peak   859 weight  1.00000E+00 volume  8.26758E+08 ppm1      8.113 ppm2      4.066
 OR {  859}
   (( resid 25   and name  HN  ))
   (( resid 21   and name  HA  ))
 ASSI { 1023}
   (( resid 27   and name  HN  ))
   (( resid 25   and name  HN  ))

      5.000     3.200     0.000 peak  1023 weight  1.00000E+00 volume  2.70961E+08 ppm1      7.533 ppm2      8.091
 OR { 1023}
   (( resid 27   and name  HN  ))
   (( resid 29   and name  HN  ))
 ASSI { 1057}
   (( resid 45   and name  HN  ))
   (  resid 17   and name  HD1#)

      5.000     3.200     0.000 peak  1057 weight  1.00000E+00 volume  3.76862E+08 ppm1      8.095 ppm2      0.865
 OR { 1057}
   (( resid 45   and name  HN  ))
   (  resid 48   and name  HD1#)
 ASSI { 1116}
   (( resid 35   and name  HN  ))
   (  resid 65   and name  HB# )

      5.000     3.200     0.000 peak  1116 weight  1.00000E+00 volume  2.77649E+08 ppm1      7.904 ppm2      1.400
 OR { 1116}
   (( resid 35   and name  HN  ))
   (  resid 64   and name  HB# )
 ASSI {  147}
   (( resid 85   and name  HA  ))
   (  resid 85   and name  HG2#)

      5.000     3.200     0.000 peak   147 weight  1.00000E+00 volume  1.50740E+09 ppm1      3.641 ppm2      0.473
 OR {  147}
   (( resid 85   and name  HA  ))
   (  resid 85   and name  HD1#)
 ASSI {  148}
   (( resid 85   and name  HB  ))
   (  resid 85   and name  HG2#)

      5.000     3.200     0.000 peak   148 weight  1.00000E+00 volume  1.21877E+09 ppm1      1.608 ppm2      0.465
 OR {  148}
   (( resid 85   and name  HB  ))
   (  resid 85   and name  HD1#)
 ASSI {  210}
   (( resid 51   and name  HB1 ))
   (  resid 53   and name  HB# )

      5.000     3.200     0.000 peak   210 weight  1.00000E+00 volume  2.44577E+08 ppm1      3.468 ppm2      1.698
 OR {  210}
   (( resid 51   and name  HB1 ))
   (( resid 53   and name  HG  ))
 ASSI {  238}
   (( resid 62   and name  HE2 ))
   (( resid 62   and name  HB2 ))

      4.000     2.200     0.000 peak   238 weight  1.00000E+00 volume  7.14976E+08 ppm1      2.907 ppm2      1.830
 OR {  238}
   (( resid 62   and name  HE2 ))
   (( resid 62   and name  HE1 ))
 ASSI {  262}
   (( resid 54   and name  HA  ))
   (  resid 53   and name  HD2#)

      5.000     3.200     0.000 peak   262 weight  1.00000E+00 volume  8.82168E+08 ppm1      3.769 ppm2      0.869
 OR {  262}
   (( resid 54   and name  HA  ))
   (  resid 17   and name  HD1#)
 OR {  262}
   (( resid 54   and name  HA  ))
   (  resid 48   and name  HD1#)
 ASSI {  270}
   (( resid 52   and name  HA1 ))
   (( resid 51   and name  HB2 ))

      6.000     4.200     0.000 peak   270 weight  1.00000E+00 volume  2.04361E+08 ppm1      4.257 ppm2      2.383
 OR {  270}
   (( resid 52   and name  HA1 ))
   (( resid 49   and name  HG2 ))
 ASSI {  271}
   (( resid 51   and name  HB1 ))
   (  resid 53   and name  HD1#)

      6.000     4.200     0.000 peak   271 weight  1.00000E+00 volume  3.13482E+08 ppm1      3.465 ppm2      0.765
 OR {  271}
   (( resid 51   and name  HB1 ))
   (( resid 85   and name  HG12))
 ASSI {  272}
   (( resid 51   and name  HB1 ))
   (  resid 85   and name  HG2#)

      6.000     4.200     0.000 peak   272 weight  1.00000E+00 volume  2.51255E+08 ppm1      3.465 ppm2      0.431
 OR {  272}
   (( resid 51   and name  HB1 ))
   (  resid 85   and name  HD1#)
 ASSI {  295}
   (( resid 47   and name  HB1 ))
   (  resid 53   and name  HD2#)

      6.000     4.200     0.000 peak   295 weight  1.00000E+00 volume  1.93997E+08 ppm1      3.165 ppm2      0.862
 OR {  295}
   (( resid 47   and name  HB1 ))
   (  resid 17   and name  HD1#)
 OR {  295}
   (( resid 47   and name  HB1 ))
   (  resid 48   and name  HD1#)
 ASSI {  471}
   (( resid 98   and name  HA  ))
   (  resid 70   and name  HG2#)

      5.000     3.200     0.000 peak   471 weight  1.00000E+00 volume  1.42781E+09 ppm1      4.273 ppm2      0.943
 OR {  471}
   (( resid 98   and name  HA  ))
   (  resid 78   and name  HG2#)
 OR {  471}
   (( resid 98   and name  HA  ))
   (  resid 74   and name  HD# )
 ASSI {  472}
   (( resid 64   and name  HA  ))
   (  resid 70   and name  HG2#)

      6.000     4.200     0.000 peak   472 weight  1.00000E+00 volume  1.22451E+08 ppm1      4.341 ppm2      0.944
 OR {  472}
   (( resid 64   and name  HA  ))
   (  resid 74   and name  HD# )
 ASSI {    5}
   (( resid 75   and name  HB1 ))
   (( resid 75   and name  HN  ))

      4.000     2.200     0.000 peak     5 weight  1.00000E+00 volume  3.84162E+08 ppm1      1.881 ppm2      8.698
 OR {    5}
   (( resid 63   and name  HB2 ))
   (( resid 75   and name  HN  ))
 ASSI {   48}
   (( resid 41   and name  HB1 ))
   (( resid 38   and name  HA  ))

      4.000     2.200     0.000 peak    48 weight  1.00000E+00 volume  2.83376E+08 ppm1      2.834 ppm2      3.865
 OR {   48}
   (( resid 37   and name  HB1 ))
   (( resid 38   and name  HA  ))
 ASSI {   58}
   (( resid 60   and name  HB1 ))
   (( resid 37   and name  HZ  ))

      4.000     2.200     0.000 peak    58 weight  1.00000E+00 volume  2.74708E+08 ppm1      1.981 ppm2      7.000
 OR {   58}
   (( resid 60   and name  HB1 ))
   (  resid 37   and name  HE# )
 ASSI {   88}
   (( resid 84   and name  HB2 ))
   (( resid 81   and name  HA  ))

      2.800     1.000     0.000 peak    88 weight  1.00000E+00 volume  9.84077E+08 ppm1      2.032 ppm2      4.235
 OR {   88}
   (( resid 81   and name  HB2 ))
   (( resid 81   and name  HA  ))
 ASSI {  119}
   (( resid 62   and name  HE2 ))
   (  resid 62   and name  HD# )

      4.000     2.200     0.000 peak   119 weight  1.00000E+00 volume  6.05314E+08 ppm1      2.935 ppm2      1.413
 OR {  119}
   (( resid 62   and name  HE2 ))
   (  resid 62   and name  HG# )
 ASSI {  132}
   (( resid 67   and name  HB1 ))
   (( resid 77   and name  HN  ))

      2.800     1.000     0.000 peak   132 weight  1.00000E+00 volume  8.57450E+08 ppm1      1.988 ppm2      8.129
 OR {  132}
   (( resid 67   and name  HB1 ))
   (( resid 67   and name  HN  ))
 OR {  132}
   (( resid 77   and name  HB2 ))
   (( resid 77   and name  HN  ))
 OR {  132}
   (( resid 77   and name  HB2 ))
   (( resid 67   and name  HN  ))
 ASSI {  145}
   (( resid 91   and name  HB  ))
   (( resid 44   and name  HA  ))

      4.000     2.200     0.000 peak   145 weight  1.00000E+00 volume  1.87132E+08 ppm1      2.105 ppm2      4.496
 OR {  145}
   (( resid 91   and name  HB  ))
   (( resid 91   and name  HA  ))
 OR {  145}
   (( resid 46   and name  HB2 ))
   (( resid 44   and name  HA  ))
 OR {  145}
   (( resid 46   and name  HB2 ))
   (( resid 91   and name  HA  ))
 ASSI {  200}
   (( resid 16   and name  HA  ))
   (( resid 20   and name  HD2 ))

      5.000     3.200     0.000 peak   200 weight  1.00000E+00 volume  1.20922E+08 ppm1      4.073 ppm2      7.122
 OR {  200}
   (( resid 23   and name  HA  ))
   (( resid 20   and name  HD2 ))
 ASSI {  236}
   (( resid 39   and name  HA  ))
   (( resid 43   and name  HN  ))

      4.000     2.200     0.000 peak   236 weight  1.00000E+00 volume  1.56454E+08 ppm1      4.429 ppm2      8.022
 OR {  236}
   (( resid 40   and name  HA  ))
   (( resid 43   and name  HN  ))
! C 14  Phi Psi
assign (resid  13 and name C ) (resid  14 and name N)
       (resid  14 and name CA) (resid  14 and name C) 1.0  -117.74    45.88  2
!assign (resid  14 and name N) (resid  14 and name CA)
!       (resid  14 and name C) (resid  15 and name  N) 1.0   167.13    25.60  2
! S 15  Phi Psi
!assign (resid  14 and name C ) (resid  15 and name N)
!       (resid  15 and name CA) (resid  15 and name C) 1.0   -65.16    25.00  2
assign (resid  15 and name N) (resid  15 and name CA)
       (resid  15 and name C) (resid  16 and name  N) 1.0   -34.89    25.00  2
! E 16  Phi Psi
assign (resid  15 and name C ) (resid  16 and name N)
       (resid  16 and name CA) (resid  16 and name C) 1.0   -66.10    25.00  2
assign (resid  16 and name N) (resid  16 and name CA)
       (resid  16 and name C) (resid  17 and name  N) 1.0   -41.79    25.00  2
! I 17  Phi Psi
assign (resid  16 and name C ) (resid  17 and name N)
       (resid  17 and name CA) (resid  17 and name C) 1.0   -63.92    25.00  2
assign (resid  17 and name N) (resid  17 and name CA)
       (resid  17 and name C) (resid  18 and name  N) 1.0   -41.07    25.00  2
! L 18  Phi Psi
assign (resid  17 and name C ) (resid  18 and name N)
       (resid  18 and name CA) (resid  18 and name C) 1.0   -63.34    25.00  2
assign (resid  18 and name N) (resid  18 and name CA)
       (resid  18 and name C) (resid  19 and name  N) 1.0   -41.56    25.00  2
! D 19  Phi Psi
assign (resid  18 and name C ) (resid  19 and name N)
       (resid  19 and name CA) (resid  19 and name C) 1.0   -67.33    30.00  2
assign (resid  19 and name N) (resid  19 and name CA)
       (resid  19 and name C) (resid  20 and name  N) 1.0   -38.13    25.00  2
! H 20  Phi Psi
assign (resid  19 and name C ) (resid  20 and name N)
       (resid  20 and name CA) (resid  20 and name C) 1.0   -67.25    25.00  2
assign (resid  20 and name N) (resid  20 and name CA)
       (resid  20 and name C) (resid  21 and name  N) 1.0   -38.00    25.00  2
! L 21  Phi Psi
assign (resid  20 and name C ) (resid  21 and name N)
       (resid  21 and name CA) (resid  21 and name C) 1.0   -64.21    25.00  2
assign (resid  21 and name N) (resid  21 and name CA)
       (resid  21 and name C) (resid  22 and name  N) 1.0   -42.24    25.00  2
! Y 22  Phi Psi
assign (resid  21 and name C ) (resid  22 and name N)
       (resid  22 and name CA) (resid  22 and name C) 1.0   -60.95    25.00  2
assign (resid  22 and name N) (resid  22 and name CA)
       (resid  22 and name C) (resid  23 and name  N) 1.0   -42.98    30.00  2
! E 23  Phi Psi
assign (resid  22 and name C ) (resid  23 and name N)
       (resid  23 and name CA) (resid  23 and name C) 1.0   -61.23    25.00  2
assign (resid  23 and name N) (resid  23 and name CA)
       (resid  23 and name C) (resid  24 and name  N) 1.0   -33.76    25.00  2
! F 24  Phi Psi
assign (resid  23 and name C ) (resid  24 and name N)
       (resid  24 and name CA) (resid  24 and name C) 1.0   -63.85    25.00  2
assign (resid  24 and name N) (resid  24 and name CA)
       (resid  24 and name C) (resid  25 and name  N) 1.0   -44.18    25.00  2
! L 25  Phi Psi
assign (resid  24 and name C ) (resid  25 and name N)
       (resid  25 and name CA) (resid  25 and name C) 1.0   -66.86    25.00  2
assign (resid  25 and name N) (resid  25 and name CA)
       (resid  25 and name C) (resid  26 and name  N) 1.0   -40.71    25.00  2
! D 26  Phi Psi
assign (resid  25 and name C ) (resid  26 and name N)
       (resid  26 and name CA) (resid  26 and name C) 1.0   -64.96    25.00  2
assign (resid  26 and name N) (resid  26 and name CA)
       (resid  26 and name C) (resid  27 and name  N) 1.0   -34.22    25.00  2
! K 27  Phi Psi
assign (resid  26 and name C ) (resid  27 and name N)
       (resid  27 and name CA) (resid  27 and name C) 1.0   -92.40    40.28  2
assign (resid  27 and name N) (resid  27 and name CA)
       (resid  27 and name C) (resid  28 and name  N) 1.0    -4.44    28.78  2
! D 31  Phi Psi
assign (resid  30 and name C ) (resid  31 and name N)
       (resid  31 and name CA) (resid  31 and name C) 1.0   -62.91    25.50  2
assign (resid  31 and name N) (resid  31 and name CA)
       (resid  31 and name C) (resid  32 and name  N) 1.0   -31.79    29.06  2
! A 34  Phi Psi
assign (resid  33 and name C ) (resid  34 and name N)
       (resid  34 and name CA) (resid  34 and name C) 1.0   -61.49    25.00  2
assign (resid  34 and name N) (resid  34 and name CA)
       (resid  34 and name C) (resid  35 and name  N) 1.0   -42.28    25.00  2
! V 35  Phi Psi
assign (resid  34 and name C ) (resid  35 and name N)
       (resid  35 and name CA) (resid  35 and name C) 1.0   -68.96    28.74  2
assign (resid  35 and name N) (resid  35 and name CA)
       (resid  35 and name C) (resid  36 and name  N) 1.0   -40.99    25.00  2
! K 36  Phi Psi
assign (resid  35 and name C ) (resid  36 and name N)
       (resid  36 and name CA) (resid  36 and name C) 1.0   -66.34    25.00  2
assign (resid  36 and name N) (resid  36 and name CA)
       (resid  36 and name C) (resid  37 and name  N) 1.0   -37.12    25.00  2
! F 37  Phi Psi
assign (resid  36 and name C ) (resid  37 and name N)
       (resid  37 and name CA) (resid  37 and name C) 1.0   -71.08    29.78  2
!assign (resid  37 and name N) (resid  37 and name CA)
!       (resid  37 and name C) (resid  38 and name  N) 1.0   -40.09    25.00  2
! F 41  Phi Psi
assign (resid  40 and name C ) (resid  41 and name N)
       (resid  41 and name CA) (resid  41 and name C) 1.0   -65.19    25.00  2
assign (resid  41 and name N) (resid  41 and name CA)
       (resid  41 and name C) (resid  42 and name  N) 1.0   -43.65    25.00  2
! E 42  Phi Psi
assign (resid  41 and name C ) (resid  42 and name N)
       (resid  42 and name CA) (resid  42 and name C) 1.0   -63.48    25.00  2
assign (resid  42 and name N) (resid  42 and name CA)
       (resid  42 and name C) (resid  43 and name  N) 1.0   -39.68    25.00  2
! E 43  Phi Psi
assign (resid  42 and name C ) (resid  43 and name N)
       (resid  43 and name CA) (resid  43 and name C) 1.0   -71.60    27.18  2
assign (resid  43 and name N) (resid  43 and name CA)
       (resid  43 and name C) (resid  44 and name  N) 1.0   -29.01    25.00  2
! S 45  Phi Psi
assign (resid  44 and name C ) (resid  45 and name N)
       (resid  45 and name CA) (resid  45 and name C) 1.0   -60.99    30.00  2
assign (resid  45 and name N) (resid  45 and name CA)
       (resid  45 and name C) (resid  46 and name  N) 1.0   -34.83    25.00  2
! P 46  Phi Psi
assign (resid  45 and name C ) (resid  46 and name N)
       (resid  46 and name CA) (resid  46 and name C) 1.0   -78.24    27.48  2
assign (resid  46 and name N) (resid  46 and name CA)
       (resid  46 and name C) (resid  47 and name  N) 1.0   -23.47    29.04  2
! L 48  Phi Psi
assign (resid  47 and name C ) (resid  48 and name N)
       (resid  48 and name CA) (resid  48 and name C) 1.0   -60.66    25.00  2
assign (resid  48 and name N) (resid  48 and name CA)
       (resid  48 and name C) (resid  49 and name  N) 1.0   -36.23    30.00  2
! E 49  Phi Psi
!assign (resid  48 and name C ) (resid  49 and name N)
!       (resid  49 and name CA) (resid  49 and name C) 1.0   -63.64    30.00  2
!assign (resid  49 and name N) (resid  49 and name CA)
!       (resid  49 and name C) (resid  50 and name  N) 1.0   -43.03    30.00  2
! K 50  Phi Psi
assign (resid  49 and name C ) (resid  50 and name N)
       (resid  50 and name CA) (resid  50 and name C) 1.0   -65.54    30.00  2
assign (resid  50 and name N) (resid  50 and name CA)
       (resid  50 and name C) (resid  51 and name  N) 1.0   -31.60    30.50  2
! E 54  Phi Psi
assign (resid  53 and name C ) (resid  54 and name N)
       (resid  54 and name CA) (resid  54 and name C) 1.0   -60.98    25.00  2
assign (resid  54 and name N) (resid  54 and name CA)
       (resid  54 and name C) (resid  55 and name  N) 1.0   -34.58    25.00  2
! Q 55  Phi Psi
assign (resid  54 and name C ) (resid  55 and name N)
       (resid  55 and name CA) (resid  55 and name C) 1.0   -62.79    25.00  2
assign (resid  55 and name N) (resid  55 and name CA)
       (resid  55 and name C) (resid  56 and name  N) 1.0   -41.58    25.00  2
! A 56  Phi Psi
assign (resid  55 and name C ) (resid  56 and name N)
       (resid  56 and name CA) (resid  56 and name C) 1.0   -67.65    25.00  2
assign (resid  56 and name N) (resid  56 and name CA)
       (resid  56 and name C) (resid  57 and name  N) 1.0   -43.34    25.00  2
! V 57  Phi Psi
assign (resid  56 and name C ) (resid  57 and name N)
       (resid  57 and name CA) (resid  57 and name C) 1.0   -64.80    25.00  2
assign (resid  57 and name N) (resid  57 and name CA)
       (resid  57 and name C) (resid  58 and name  N) 1.0   -43.50    25.00  2
! K 58  Phi Psi
assign (resid  57 and name C ) (resid  58 and name N)
       (resid  58 and name CA) (resid  58 and name C) 1.0   -59.63    25.00  2
assign (resid  58 and name N) (resid  58 and name CA)
       (resid  58 and name C) (resid  59 and name  N) 1.0   -44.34    25.00  2
! K 59  Phi Psi
assign (resid  58 and name C ) (resid  59 and name N)
       (resid  59 and name CA) (resid  59 and name C) 1.0   -62.99    25.00  2
assign (resid  59 and name N) (resid  59 and name CA)
       (resid  59 and name C) (resid  60 and name  N) 1.0   -42.50    25.00  2
! D 73  Phi Psi
assign (resid  72 and name C ) (resid  73 and name N)
       (resid  73 and name CA) (resid  73 and name C) 1.0   -77.93    39.08  2
assign (resid  73 and name N) (resid  73 and name CA)
       (resid  73 and name C) (resid  74 and name  N) 1.0   -21.27    49.70  2
! L 74  Phi Psi
assign (resid  73 and name C ) (resid  74 and name N)
       (resid  74 and name CA) (resid  74 and name C) 1.0   -60.54    25.00  2
assign (resid  74 and name N) (resid  74 and name CA)
       (resid  74 and name C) (resid  75 and name  N) 1.0   -38.91    25.00  2
! R 75  Phi Psi
assign (resid  74 and name C ) (resid  75 and name N)
       (resid  75 and name CA) (resid  75 and name C) 1.0   -62.07    25.00  2
assign (resid  75 and name N) (resid  75 and name CA)
       (resid  75 and name C) (resid  76 and name  N) 1.0   -43.05    25.00  2
! A 76  Phi Psi
assign (resid  75 and name C ) (resid  76 and name N)
       (resid  76 and name CA) (resid  76 and name C) 1.0   -64.29    25.00  2
assign (resid  76 and name N) (resid  76 and name CA)
       (resid  76 and name C) (resid  77 and name  N) 1.0   -38.56    25.00  2
! K 77  Phi Psi
assign (resid  76 and name C ) (resid  77 and name N)
       (resid  77 and name CA) (resid  77 and name C) 1.0   -67.52    25.00  2
assign (resid  77 and name N) (resid  77 and name CA)
       (resid  77 and name C) (resid  78 and name  N) 1.0   -37.90    25.00  2
! V 78  Phi Psi
assign (resid  77 and name C ) (resid  78 and name N)
       (resid  78 and name CA) (resid  78 and name C) 1.0   -65.74    25.00  2
assign (resid  78 and name N) (resid  78 and name CA)
       (resid  78 and name C) (resid  79 and name  N) 1.0   -45.93    25.00  2
! M 79  Phi Psi
assign (resid  78 and name C ) (resid  79 and name N)
       (resid  79 and name CA) (resid  79 and name C) 1.0   -60.01    25.00  2
assign (resid  79 and name N) (resid  79 and name CA)
       (resid  79 and name C) (resid  80 and name  N) 1.0   -42.45    25.00  2
! G 80  Phi Psi
assign (resid  79 and name C ) (resid  80 and name N)
       (resid  80 and name CA) (resid  80 and name C) 1.0   -64.74    25.00  2
assign (resid  80 and name N) (resid  80 and name CA)
       (resid  80 and name C) (resid  81 and name  N) 1.0   -39.20    25.00  2
! R 81  Phi Psi
assign (resid  80 and name C ) (resid  81 and name N)
       (resid  81 and name CA) (resid  81 and name C) 1.0   -63.14    25.00  2
assign (resid  81 and name N) (resid  81 and name CA)
       (resid  81 and name C) (resid  82 and name  N) 1.0   -41.22    25.32  2
! L 82  Phi Psi
assign (resid  81 and name C ) (resid  82 and name N)
       (resid  82 and name CA) (resid  82 and name C) 1.0   -63.01    25.00  2
assign (resid  82 and name N) (resid  82 and name CA)
       (resid  82 and name C) (resid  83 and name  N) 1.0   -41.63    25.00  2
! D 83  Phi Psi
assign (resid  82 and name C ) (resid  83 and name N)
       (resid  83 and name CA) (resid  83 and name C) 1.0   -66.80    25.00  2
assign (resid  83 and name N) (resid  83 and name CA)
       (resid  83 and name C) (resid  84 and name  N) 1.0   -39.05    25.00  2
! L 84  Phi Psi
assign (resid  83 and name C ) (resid  84 and name N)
       (resid  84 and name CA) (resid  84 and name C) 1.0   -67.32    25.00  2
assign (resid  84 and name N) (resid  84 and name CA)
       (resid  84 and name C) (resid  85 and name  N) 1.0   -40.30    25.00  2
! I 85  Phi Psi
assign (resid  84 and name C ) (resid  85 and name N)
       (resid  85 and name CA) (resid  85 and name C) 1.0   -63.33    25.00  2
assign (resid  85 and name N) (resid  85 and name CA)
       (resid  85 and name C) (resid  86 and name  N) 1.0   -41.26    25.00  2
! R 86  Phi Psi
assign (resid  85 and name C ) (resid  86 and name N)
       (resid  86 and name CA) (resid  86 and name C) 1.0   -67.99    25.00  2
assign (resid  86 and name N) (resid  86 and name CA)
       (resid  86 and name C) (resid  87 and name  N) 1.0   -27.88    25.00  2
! S 87  Phi Psi
assign (resid  86 and name C ) (resid  87 and name N)
       (resid  87 and name CA) (resid  87 and name C) 1.0   -93.51    33.42  2
assign (resid  87 and name N) (resid  87 and name CA)
       (resid  87 and name C) (resid  88 and name  N) 1.0    -3.47    31.34  2
! S 102 Phi Psi
assign (resid  101 and name C ) (resid  102 and name N)
       (resid  102 and name CA) (resid  102 and name C) 1.0   -75.73    25.68  2
assign (resid  102 and name N) (resid  102 and name CA)
       (resid  102 and name C) (resid  103 and name  N) 1.0   -21.04    29.86  2
! A 104 Phi Psi
assign (resid  103 and name C ) (resid  104 and name N)
       (resid  104 and name CA) (resid  104 and name C) 1.0   -88.91    50.70  2
!assign (resid  104 and name N) (resid  104 and name CA)
!       (resid  104 and name C) (resid  105 and name  N) 1.0   135.66    40.50  2
  set echo on message on end

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 17   and name N   )
         ( resid 17   and name HN  ) 5.4900 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 18   and name N   )
         ( resid 18   and name HN  ) 11.0400 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 19   and name N   )
         ( resid 19   and name HN  ) 8.4700 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 20   and name N   )
         ( resid 20   and name HN  ) -0.6300 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 21   and name N   )
         ( resid 21   and name HN  ) 2.2700 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 23   and name N   )
         ( resid 23   and name HN  ) 6.3700 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 25   and name N   )
         ( resid 25   and name HN  ) 10.9500 1.0
 
  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 26   and name N   )
         ( resid 26   and name HN  ) 10.3300 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 33   and name N   )
         ( resid 33   and name HN  ) 0.1300 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 34   and name N   )
         ( resid 34   and name HN  ) 3.9400 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 35   and name N   )
         ( resid 35   and name HN  ) 1.6400 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 36   and name N   )
         ( resid 36   and name HN  ) -1.6200 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 38   and name N   )
         ( resid 38   and name HN  ) 3.5200 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 47   and name N   )
         ( resid 47   and name HN  ) 2.6400 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 48   and name N   )
         ( resid 48   and name HN  ) -2.6400 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 49   and name N   )
         ( resid 49   and name HN  ) 0.3400 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 50   and name N   )
         ( resid 50   and name HN  ) 4.6800 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 51   and name N   )
         ( resid 51   and name HN  ) 0.7600 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 54   and name N   )
         ( resid 54   and name HN  ) 7.5000 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 55   and name N   )
         ( resid 55   and name HN  ) 9.1500 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 57   and name N   )
         ( resid 57   and name HN  ) 9.4200 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 58   and name N   )
         ( resid 58   and name HN  ) 5.2100 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 59   and name N   )
         ( resid 59   and name HN  ) 6.6600 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 60   and name N   )
         ( resid 60   and name HN  ) 11.2300 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 61   and name N   )
         ( resid 61   and name HN  ) 5.1500 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 62   and name N   )
         ( resid 62   and name HN  ) 4.4600 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 73   and name N   )
         ( resid 73   and name HN  ) 2.4700 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 74   and name N   )
         ( resid 74   and name HN  ) 6.0300 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 75   and name N   )
         ( resid 75   and name HN  ) 10.5600 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 76   and name N   )
         ( resid 76   and name HN  ) 9.7700 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 77   and name N   )
         ( resid 77   and name HN  ) 5.1500 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 78   and name N   )
         ( resid 78   and name HN  ) 8.8500 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 79   and name N   )
         ( resid 79   and name HN  ) 11.0500 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 80   and name N   )
         ( resid 80   and name HN  ) 6.3200 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 81   and name N   )
         ( resid 81   and name HN  ) 5.0300 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 82   and name N   )
         ( resid 82   and name HN  ) 10.1000 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 83   and name N   )
         ( resid 83   and name HN  ) 9.9600 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 84   and name N   )
         ( resid 84   and name HN  ) 2.9800 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 85   and name N   )
         ( resid 85   and name HN  ) 8.5600 1.0

  assign ( resid 500  and name OO  )
         ( resid 500  and name Z   )
         ( resid 500  and name X   )
         ( resid 500  and name Y   )
         ( resid 86   and name N   )
         ( resid 86   and name HN  ) 10.1400 1.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA2  GLY  -2           HA2      GLY  -2 -20.982  11.364   0.056
  Start of MODEL    1
    2    HA3  GLY  -2           HA3      GLY  -2 -20.173  12.915  -0.102
  Start of MODEL    1
    3    H    SER  -1           H        SER  -1 -21.774  10.814   2.279
  Start of MODEL    1
    4    HA   SER  -1           HA       SER  -1 -20.179  12.047   4.414
  Start of MODEL    1
    5    HB3  SER  -1           HB2      SER  -1 -21.704  10.842   5.957
  Start of MODEL    1
    6    HB2  SER  -1           HB3      SER  -1 -22.548  10.163   4.565
  Start of MODEL    1
    7    HG   SER  -1           HG       SER  -1 -23.583  12.038   5.385
  Start of MODEL    1
    8    H    HIS   0           H        HIS   0 -21.084   8.803   3.218
  Start of MODEL    1
    9    HA   HIS   0           HA       HIS   0 -18.839   7.632   4.678
  Start of MODEL    1
   10    HB3  HIS   0           HB2      HIS   0 -20.822   6.130   2.970
  Start of MODEL    1
   11    HB2  HIS   0           HB3      HIS   0 -21.201   6.623   4.617
  Start of MODEL    1
   12    HD1  HIS   0           HD1      HIS   0 -19.749   5.520   6.535
  Start of MODEL    1
   13    HD2  HIS   0           HD2      HIS   0 -19.246   3.879   2.750
  Start of MODEL    1
   14    HE1  HIS   0           HE1      HIS   0 -18.600   3.314   6.906
  Start of MODEL    1
   15    HE2  HIS   0           HE2      HIS   0 -18.385   2.300   4.609
  Start of MODEL    1
   16    H    MET   1           H        MET   1 -20.107   7.693   1.337
  Start of MODEL    1
   17    HA   MET   1           HA       MET   1 -17.447   6.900   0.363
  Start of MODEL    1
   18    HB2  MET   1           HB2      MET   1 -19.591   5.633  -0.290
  Start of MODEL    1
   19    HB3  MET   1           HB3      MET   1 -19.959   7.025  -1.298
  Start of MODEL    1
   20    HG3  MET   1           HG2      MET   1 -17.494   5.306  -1.509
  Start of MODEL    1
   21    HG2  MET   1           HG3      MET   1 -17.879   6.691  -2.529
  Start of MODEL    1
   22    HE1  MET   1           HE1      MET   1 -17.135   3.849  -3.725
  Start of MODEL    1
   23    HE3  MET   1           HE2      MET   1 -17.559   5.242  -4.720
  Start of MODEL    1
   24    HE2  MET   1           HE3      MET   1 -18.352   3.690  -4.991
  Start of MODEL    1
   25    H    SER   2           H        SER   2 -16.198   8.285  -0.748
  Start of MODEL    1
   26    HA   SER   2           HA       SER   2 -17.386  10.676  -1.952
  Start of MODEL    1
   27    HB2  SER   2           HB2      SER   2 -15.085  10.731   0.018
  Start of MODEL    1
   28    HB3  SER   2           HB3      SER   2 -15.604  12.105  -0.958
  Start of MODEL    1
   29    HG   SER   2           HG       SER   2 -16.512  12.113   1.158
  Start of MODEL    1
   30    H    ALA   3           H        ALA   3 -16.678  10.884  -3.971
  Start of MODEL    1
   31    HA   ALA   3           HA       ALA   3 -13.936  10.049  -4.631
  Start of MODEL    1
   32    HB2  ALA   3           HB1      ALA   3 -14.692   8.978  -6.677
  Start of MODEL    1
   33    HB1  ALA   3           HB2      ALA   3 -16.367   9.364  -6.283
  Start of MODEL    1
   34    HB3  ALA   3           HB3      ALA   3 -15.462   8.235  -5.275
  Start of MODEL    1
   35    H    GLY   4           H        GLY   4 -14.683  12.671  -4.134
  Start of MODEL    1
   36    HA2  GLY   4           HA2      GLY   4 -15.109  13.936  -6.745
  Start of MODEL    1
   37    HA3  GLY   4           HA3      GLY   4 -15.151  14.739  -5.183
  Start of MODEL    1
   38    H    GLU   5           H        GLU   5 -13.098  13.540  -7.749
  Start of MODEL    1
   39    HA   GLU   5           HA       GLU   5 -10.628  14.261  -6.531
  Start of MODEL    1
   40    HB3  GLU   5           HB2      GLU   5 -10.761  12.555  -8.295
  Start of MODEL    1
   41    HB2  GLU   5           HB3      GLU   5  -9.627  13.835  -8.711
  Start of MODEL    1
   42    HG3  GLU   5           HG2      GLU   5 -11.143  14.784 -10.277
  Start of MODEL    1
   43    HG2  GLU   5           HG3      GLU   5 -12.459  13.750  -9.724
  Start of MODEL    1
   44    HA   PRO   6           HA       PRO   6 -10.683  18.622  -7.400
  Start of MODEL    1
   45    HB2  PRO   6           HB2      PRO   6  -8.109  19.225  -6.976
  Start of MODEL    1
   46    HB3  PRO   6           HB3      PRO   6  -9.142  18.650  -5.656
  Start of MODEL    1
   47    HG2  PRO   6           HG2      PRO   6  -7.201  17.091  -7.332
  Start of MODEL    1
   48    HG3  PRO   6           HG3      PRO   6  -7.359  17.132  -5.566
  Start of MODEL    1
   49    HD2  PRO   6           HD2      PRO   6  -8.461  15.174  -7.080
  Start of MODEL    1
   50    HD3  PRO   6           HD3      PRO   6  -9.208  15.761  -5.574
  Start of MODEL    1
   51    H    HIS   7           H        HIS   7  -8.964  20.233  -8.624
  Start of MODEL    1
   52    HA   HIS   7           HA       HIS   7  -9.101  19.423 -11.391
  Start of MODEL    1
   53    HB3  HIS   7           HB2      HIS   7  -8.125  21.717 -11.801
  Start of MODEL    1
   54    HB2  HIS   7           HB3      HIS   7  -8.118  21.955 -10.057
  Start of MODEL    1
   55    HD1  HIS   7           HD1      HIS   7 -10.442  21.684 -12.987
  Start of MODEL    1
   56    HD2  HIS   7           HD2      HIS   7 -10.601  22.506  -8.917
  Start of MODEL    1
   57    HE1  HIS   7           HE1      HIS   7 -12.758  22.567 -12.570
  Start of MODEL    1
   58    HE2  HIS   7           HE2      HIS   7 -12.804  23.137 -10.117
  Start of MODEL    1
   59    H    GLU   8           H        GLU   8  -7.568  18.247 -12.347
  Start of MODEL    1
   60    HA   GLU   8           HA       GLU   8  -4.764  18.614 -11.496
  Start of MODEL    1
   61    HB2  GLU   8           HB2      GLU   8  -5.570  16.011 -12.687
  Start of MODEL    1
   62    HB3  GLU   8           HB3      GLU   8  -4.367  16.361 -11.455
  Start of MODEL    1
   63    HG3  GLU   8           HG2      GLU   8  -6.558  16.945 -10.053
  Start of MODEL    1
   64    HG2  GLU   8           HG3      GLU   8  -5.867  15.328 -10.137
  Start of MODEL    1
   65    H    THR   9           H        THR   9  -3.397  17.265 -13.355
  Start of MODEL    1
   66    HA   THR   9           HA       THR   9  -4.287  18.213 -15.969
  Start of MODEL    1
   67    HB   THR   9           HB       THR   9  -2.186  19.244 -16.467
  Start of MODEL    1
   68    HG1  THR   9           HG1      THR   9  -0.425  18.777 -15.429
  Start of MODEL    1
   69   HG21  THR   9          HG21      THR   9  -2.917  20.085 -13.671
  Start of MODEL    1
   70   HG23  THR   9          HG22      THR   9  -3.683  20.666 -15.151
  Start of MODEL    1
   71   HG22  THR   9          HG23      THR   9  -1.982  21.019 -14.841
  Start of MODEL    1
   72    H    ASP  10           H        ASP  10  -1.578  16.484 -14.399
  Start of MODEL    1
   73    HA   ASP  10           HA       ASP  10  -1.912  14.322 -16.378
  Start of MODEL    1
   74    HB2  ASP  10           HB2      ASP  10   0.783  15.140 -15.278
  Start of MODEL    1
   75    HB3  ASP  10           HB3      ASP  10   0.438  14.069 -16.636
  Start of MODEL    1
   76    H    CYS  11           H        CYS  11  -1.212  12.203 -15.630
  Start of MODEL    1
   77    HA   CYS  11           HA       CYS  11  -0.742  11.927 -12.769
  Start of MODEL    1
   78    HB2  CYS  11           HB2      CYS  11  -3.202  11.947 -13.010
  Start of MODEL    1
   79    HB3  CYS  11           HB3      CYS  11  -3.096  10.577 -14.107
  Start of MODEL    1
   80    H    SER  12           H        SER  12  -1.354  10.120 -15.805
  Start of MODEL    1
   81    HA   SER  12           HA       SER  12  -0.262   7.687 -15.119
  Start of MODEL    1
   82    HB2  SER  12           HB2      SER  12  -0.131   9.101 -17.785
  Start of MODEL    1
   83    HB3  SER  12           HB3      SER  12   0.306   7.409 -17.535
  Start of MODEL    1
   84    HG   SER  12           HG       SER  12  -1.874   7.680 -18.235
  Start of MODEL    1
   85    H    GLU  13           H        GLU  13   1.445  10.642 -15.984
  Start of MODEL    1
   86    HA   GLU  13           HA       GLU  13   3.987   9.499 -16.366
  Start of MODEL    1
   87    HB2  GLU  13           HB2      GLU  13   3.305  12.263 -15.411
  Start of MODEL    1
   88    HB3  GLU  13           HB3      GLU  13   4.873  11.763 -16.008
  Start of MODEL    1
   89    HG3  GLU  13           HG2      GLU  13   2.302  11.922 -17.564
  Start of MODEL    1
   90    HG2  GLU  13           HG3      GLU  13   3.805  11.247 -18.192
  Start of MODEL    1
   91    H    ILE  14           H        ILE  14   2.336  10.694 -13.489
  Start of MODEL    1
   92    HA   ILE  14           HA       ILE  14   4.538  10.410 -11.711
  Start of MODEL    1
   93    HB   ILE  14           HB       ILE  14   1.556  10.408 -11.212
  Start of MODEL    1
   94   HD12  ILE  14          HD11      ILE  14   4.207  13.622 -10.344
  Start of MODEL    1
   95   HD11  ILE  14          HD12      ILE  14   4.724  11.952 -10.115
  Start of MODEL    1
   96   HD13  ILE  14          HD13      ILE  14   3.603  12.691  -8.973
  Start of MODEL    1
   97    H    LEU  15           H        LEU  15   1.989   8.165 -12.837
  Start of MODEL    1
   98    HA   LEU  15           HA       LEU  15   2.809   6.060 -11.148
  Start of MODEL    1
   99    HB3  LEU  15           HB2      LEU  15   1.456   4.665 -12.477
  Start of MODEL    1
  100    HB2  LEU  15           HB3      LEU  15   1.699   5.639 -13.913
  Start of MODEL    1
  101    HG   LEU  15           HG       LEU  15   0.245   7.390 -12.970
  Start of MODEL    1
  102   HD11  LEU  15          HD11      LEU  15  -0.643   5.533 -14.376
  Start of MODEL    1
  103   HD13  LEU  15          HD12      LEU  15  -1.828   6.268 -13.298
  Start of MODEL    1
  104   HD12  LEU  15          HD13      LEU  15  -1.114   4.707 -12.890
  Start of MODEL    1
  105   HD22  LEU  15          HD21      LEU  15  -1.093   6.904 -10.957
  Start of MODEL    1
  106   HD21  LEU  15          HD22      LEU  15   0.628   7.050 -10.605
  Start of MODEL    1
  107   HD23  LEU  15          HD23      LEU  15  -0.124   5.456 -10.685
  Start of MODEL    1
  108    H    ASP  16           H        ASP  16   3.462   6.849 -14.602
  Start of MODEL    1
  109    HA   ASP  16           HA       ASP  16   5.276   5.042 -15.318
  Start of MODEL    1
  110    HB2  ASP  16           HB2      ASP  16   4.568   7.105 -16.603
  Start of MODEL    1
  111    HB3  ASP  16           HB3      ASP  16   5.820   7.988 -15.732
  Start of MODEL    1
  112    H    HIS  17           H        HIS  17   6.034   7.645 -12.901
  Start of MODEL    1
  113    HA   HIS  17           HA       HIS  17   8.796   6.867 -12.814
  Start of MODEL    1
  114    HB3  HIS  17           HB2      HIS  17   9.101   8.427 -11.136
  Start of MODEL    1
  115    HB2  HIS  17           HB3      HIS  17   7.524   8.129 -10.418
  Start of MODEL    1
  116    HD1  HIS  17           HD1      HIS  17   7.055  10.600 -10.188
  Start of MODEL    1
  117    HD2  HIS  17           HD2      HIS  17   7.670   9.403 -14.115
  Start of MODEL    1
  118    HE1  HIS  17           HE1      HIS  17   6.360  12.554 -11.590
  Start of MODEL    1
  119    HE2  HIS  17           HE2      HIS  17   6.663  11.782 -13.976
  Start of MODEL    1
  120    H    LEU  18           H        LEU  18   5.985   6.527 -10.643
  Start of MODEL    1
  121    HA   LEU  18           HA       LEU  18   6.908   4.935  -8.686
  Start of MODEL    1
  122    HB2  LEU  18           HB2      LEU  18   4.312   4.984 -10.129
  Start of MODEL    1
  123    HB3  LEU  18           HB3      LEU  18   4.600   3.589  -9.113
  Start of MODEL    1
  124    HG   LEU  18           HG       LEU  18   3.323   5.255  -7.911
  Start of MODEL    1
  125   HD13  LEU  18          HD11      LEU  18   4.374   7.440  -7.346
  Start of MODEL    1
  126   HD12  LEU  18          HD12      LEU  18   3.916   7.251  -9.037
  Start of MODEL    1
  127   HD11  LEU  18          HD13      LEU  18   5.614   7.099  -8.559
  Start of MODEL    1
  128   HD22  LEU  18          HD21      LEU  18   4.780   5.556  -5.943
  Start of MODEL    1
  129   HD21  LEU  18          HD22      LEU  18   6.153   5.014  -6.904
  Start of MODEL    1
  130   HD23  LEU  18          HD23      LEU  18   4.815   3.915  -6.583
  Start of MODEL    1
  131    H    TYR  19           H        TYR  19   6.478   3.865 -12.010
  Start of MODEL    1
  132    HA   TYR  19           HA       TYR  19   6.990   1.101 -11.312
  Start of MODEL    1
  133    HB3  TYR  19           HB2      TYR  19   6.926   2.137 -14.138
  Start of MODEL    1
  134    HB2  TYR  19           HB3      TYR  19   5.435   2.017 -13.207
  Start of MODEL    1
  135    HD1  TYR  19           HD1      TYR  19   4.197   0.062 -13.418
  Start of MODEL    1
  136    HD2  TYR  19           HD2      TYR  19   8.411  -0.082 -14.055
  Start of MODEL    1
  137    HE1  TYR  19           HE1      TYR  19   4.029  -2.317 -14.021
  Start of MODEL    1
  138    HE2  TYR  19           HE2      TYR  19   8.248  -2.455 -14.659
  Start of MODEL    1
  139    HH   TYR  19           HH       TYR  19   6.130  -4.401 -13.926
  Start of MODEL    1
  140    H    GLU  20           H        GLU  20   8.566   3.252 -13.720
  Start of MODEL    1
  141    HA   GLU  20           HA       GLU  20  10.957   1.722 -13.756
  Start of MODEL    1
  142    HB2  GLU  20           HB2      GLU  20  10.736   4.602 -14.630
  Start of MODEL    1
  143    HB3  GLU  20           HB3      GLU  20  11.849   3.376 -15.223
  Start of MODEL    1
  144    HG3  GLU  20           HG2      GLU  20   8.887   3.552 -15.696
  Start of MODEL    1
  145    HG2  GLU  20           HG3      GLU  20   9.857   2.139 -16.116
  Start of MODEL    1
  146    H    PHE  21           H        PHE  21   9.984   4.526 -11.918
  Start of MODEL    1
  147    HA   PHE  21           HA       PHE  21  12.505   5.346 -10.931
  Start of MODEL    1
  148    HB3  PHE  21           HB2      PHE  21   9.953   5.575  -9.346
  Start of MODEL    1
  149    HB2  PHE  21           HB3      PHE  21  10.139   6.503 -10.821
  Start of MODEL    1
  150    HD1  PHE  21           HD1      PHE  21  11.978   5.771  -7.677
  Start of MODEL    1
  151    HD2  PHE  21           HD2      PHE  21  10.939   8.632 -10.640
  Start of MODEL    1
  152    HE1  PHE  21           HE1      PHE  21  13.177   7.516  -6.406
  Start of MODEL    1
  153    HE2  PHE  21           HE2      PHE  21  12.132  10.384  -9.386
  Start of MODEL    1
  154    HZ   PHE  21           HZ       PHE  21  13.252   9.826  -7.263
  Start of MODEL    1
  155    H    LEU  22           H        LEU  22   9.970   3.367  -9.686
  Start of MODEL    1
  156    HA   LEU  22           HA       LEU  22  11.287   2.609  -7.279
  Start of MODEL    1
  157    HB2  LEU  22           HB2      LEU  22   8.846   2.729  -7.608
  Start of MODEL    1
  158    HB3  LEU  22           HB3      LEU  22   8.936   1.304  -8.622
  Start of MODEL    1
  159    HG   LEU  22           HG       LEU  22   9.461  -0.099  -6.798
  Start of MODEL    1
  160   HD12  LEU  22          HD11      LEU  22   7.574   0.259  -5.291
  Start of MODEL    1
  161   HD11  LEU  22          HD12      LEU  22   7.116   0.561  -6.969
  Start of MODEL    1
  162   HD13  LEU  22          HD13      LEU  22   7.414   1.915  -5.877
  Start of MODEL    1
  163   HD22  LEU  22          HD21      LEU  22   9.716   2.308  -5.007
  Start of MODEL    1
  164   HD21  LEU  22          HD22      LEU  22  11.085   1.448  -5.707
  Start of MODEL    1
  165   HD23  LEU  22          HD23      LEU  22  10.007   0.622  -4.586
  Start of MODEL    1
  166    H    ASP  23           H        ASP  23  10.637   0.740 -10.297
  Start of MODEL    1
  167    HA   ASP  23           HA       ASP  23  12.225  -1.460  -9.289
  Start of MODEL    1
  168    HB2  ASP  23           HB2      ASP  23  10.092  -1.202 -11.055
  Start of MODEL    1
  169    HB3  ASP  23           HB3      ASP  23  11.451  -1.650 -12.084
  Start of MODEL    1
  170    H    LYS  24           H        LYS  24  12.738   1.114 -11.652
  Start of MODEL    1
  171    HA   LYS  24           HA       LYS  24  15.226  -0.189 -12.460
  Start of MODEL    1
  172    HB2  LYS  24           HB2      LYS  24  13.267   1.522 -13.830
  Start of MODEL    1
  173    HB3  LYS  24           HB3      LYS  24  14.947   1.764 -14.270
  Start of MODEL    1
  174    HG3  LYS  24           HG2      LYS  24  14.956  -0.835 -14.541
  Start of MODEL    1
  175    HG2  LYS  24           HG3      LYS  24  14.293   0.193 -15.813
  Start of MODEL    1
  176    HD3  LYS  24           HD2      LYS  24  12.065  -0.271 -15.171
  Start of MODEL    1
  177    HD2  LYS  24           HD3      LYS  24  12.573  -0.975 -13.635
  Start of MODEL    1
  178    HE2  LYS  24           HE2      LYS  24  13.769  -2.746 -15.013
  Start of MODEL    1
  179    HE3  LYS  24           HE3      LYS  24  12.007  -2.806 -14.994
  Start of MODEL    1
  180    HZ1  LYS  24           HZ1      LYS  24  13.698  -1.675 -17.159
  Start of MODEL    1
  181    HZ3  LYS  24           HZ2      LYS  24  12.007  -1.643 -17.136
  Start of MODEL    1
  182    HZ2  LYS  24           HZ3      LYS  24  12.823  -3.122 -17.221
  Start of MODEL    1
  183    H    GLU  25           H        GLU  25  14.879   1.550 -10.072
  Start of MODEL    1
  184    HA   GLU  25           HA       GLU  25  17.125   3.310 -10.649
  Start of MODEL    1
  185    HB2  GLU  25           HB2      GLU  25  14.590   4.303 -10.266
  Start of MODEL    1
  186    HB3  GLU  25           HB3      GLU  25  15.299   4.451  -8.664
  Start of MODEL    1
  187    HG2  GLU  25           HG2      GLU  25  17.164   5.708  -9.608
  Start of MODEL    1
  188    HG3  GLU  25           HG3      GLU  25  16.454   5.552 -11.213
  Start of MODEL    1
  189    H    MET  26           H        MET  26  15.173   2.600  -7.727
  Start of MODEL    1
  190    HA   MET  26           HA       MET  26  17.054   0.940  -6.482
  Start of MODEL    1
  191    HB3  MET  26           HB2      MET  26  17.383   3.177  -4.768
  Start of MODEL    1
  192    HB2  MET  26           HB3      MET  26  17.754   3.729  -6.394
  Start of MODEL    1
  193    HG3  MET  26           HG2      MET  26  19.237   1.620  -6.524
  Start of MODEL    1
  194    HG2  MET  26           HG3      MET  26  19.095   1.607  -4.768
  Start of MODEL    1
  195    HE2  MET  26           HE1      MET  26  22.706   2.997  -5.243
  Start of MODEL    1
  196    HE1  MET  26           HE2      MET  26  21.906   1.739  -6.185
  Start of MODEL    1
  197    HE3  MET  26           HE3      MET  26  21.697   1.797  -4.435
  Start of MODEL    1
  198    HA   PRO  27           HA       PRO  27  12.693   0.607  -4.928
  Start of MODEL    1
  199    HB3  PRO  27           HB2      PRO  27  12.690  -1.587  -4.135
  Start of MODEL    1
  200    HB2  PRO  27           HB3      PRO  27  14.370  -1.490  -3.577
  Start of MODEL    1
  201    HG3  PRO  27           HG2      PRO  27  13.304  -1.787  -6.357
  Start of MODEL    1
  202    HG2  PRO  27           HG3      PRO  27  14.709  -2.563  -5.608
  Start of MODEL    1
  203    HD3  PRO  27           HD2      PRO  27  14.778  -0.303  -7.255
  Start of MODEL    1
  204    HD2  PRO  27           HD3      PRO  27  16.078  -0.838  -6.169
  Start of MODEL    1
  205    H    ASP  28           H        ASP  28  15.611   0.396  -2.832
  Start of MODEL    1
  206    HA   ASP  28           HA       ASP  28  14.074   1.442  -0.588
  Start of MODEL    1
  207    HB2  ASP  28           HB2      ASP  28  16.167   1.099   0.715
  Start of MODEL    1
  208    HB3  ASP  28           HB3      ASP  28  15.607  -0.364  -0.087
  Start of MODEL    1
  209    H    SER  29           H        SER  29  16.747   2.506  -2.667
  Start of MODEL    1
  210    HA   SER  29           HA       SER  29  16.904   5.048  -1.268
  Start of MODEL    1
  211    HB3  SER  29           HB2      SER  29  18.371   5.075  -3.730
  Start of MODEL    1
  212    HB2  SER  29           HB3      SER  29  18.671   3.549  -2.899
  Start of MODEL    1
  213    HG   SER  29           HG       SER  29  20.117   5.199  -2.239
  Start of MODEL    1
  214    H    ASP  30           H        ASP  30  14.387   4.745  -2.124
  Start of MODEL    1
  215    HA   ASP  30           HA       ASP  30  14.163   6.761  -4.235
  Start of MODEL    1
  216    HB2  ASP  30           HB2      ASP  30  12.841   4.064  -4.191
  Start of MODEL    1
  217    HB3  ASP  30           HB3      ASP  30  12.066   5.422  -4.999
  Start of MODEL    1
  218    H    ALA  31           H        ALA  31  12.957   5.383  -1.246
  Start of MODEL    1
  219    HA   ALA  31           HA       ALA  31  10.429   6.571  -1.143
  Start of MODEL    1
  220    HB1  ALA  31           HB1      ALA  31  11.893   5.017   0.535
  Start of MODEL    1
  221    HB3  ALA  31           HB2      ALA  31  10.357   5.776   0.942
  Start of MODEL    1
  222    HB2  ALA  31           HB3      ALA  31  11.870   6.553   1.400
  Start of MODEL    1
  223    H    VAL  32           H        VAL  32  13.603   7.929  -0.301
  Start of MODEL    1
  224    HA   VAL  32           HA       VAL  32  12.497  10.401   0.629
  Start of MODEL    1
  225    HB   VAL  32           HB       VAL  32  15.327   9.637  -0.015
  Start of MODEL    1
  226    H    LYS  33           H        LYS  33  13.789   9.183  -2.388
  Start of MODEL    1
  227    HA   LYS  33           HA       LYS  33  13.866  11.773  -3.657
  Start of MODEL    1
  228    HB2  LYS  33           HB2      LYS  33  13.900   9.153  -5.128
  Start of MODEL    1
  229    HB3  LYS  33           HB3      LYS  33  14.695  10.665  -5.546
  Start of MODEL    1
  230    HG2  LYS  33           HG2      LYS  33  15.907  10.092  -3.191
  Start of MODEL    1
  231    HG3  LYS  33           HG3      LYS  33  15.587   8.468  -3.801
  Start of MODEL    1
  232    HD3  LYS  33           HD2      LYS  33  17.816   9.600  -4.413
  Start of MODEL    1
  233    HD2  LYS  33           HD3      LYS  33  16.857  10.574  -5.528
  Start of MODEL    1
  234    HE2  LYS  33           HE2      LYS  33  17.373   7.623  -5.560
  Start of MODEL    1
  235    HE3  LYS  33           HE3      LYS  33  15.957   8.294  -6.368
  Start of MODEL    1
  236    HZ3  LYS  33           HZ1      LYS  33  17.415   9.695  -7.688
  Start of MODEL    1
  237    HZ2  LYS  33           HZ2      LYS  33  17.818   8.064  -7.887
  Start of MODEL    1
  238    HZ1  LYS  33           HZ3      LYS  33  18.776   9.057  -6.909
  Start of MODEL    1
  239    H    PHE  34           H        PHE  34  11.576   9.244  -3.151
  Start of MODEL    1
  240    HA   PHE  34           HA       PHE  34   9.804   9.717  -5.288
  Start of MODEL    1
  241    HB3  PHE  34           HB2      PHE  34   8.111   8.758  -3.469
  Start of MODEL    1
  242    HB2  PHE  34           HB3      PHE  34   9.592   8.438  -2.578
  Start of MODEL    1
  243    HD1  PHE  34           HD1      PHE  34   9.352   6.072  -2.572
  Start of MODEL    1
  244    HD2  PHE  34           HD2      PHE  34   9.363   8.212  -6.251
  Start of MODEL    1
  245    HE1  PHE  34           HE1      PHE  34   9.553   3.962  -3.798
  Start of MODEL    1
  246    HE2  PHE  34           HE2      PHE  34   9.570   6.107  -7.477
  Start of MODEL    1
  247    HZ   PHE  34           HZ       PHE  34   9.671   3.974  -6.258
  Start of MODEL    1
  248    H    GLU  35           H        GLU  35   9.250  10.570  -1.876
  Start of MODEL    1
  249    HA   GLU  35           HA       GLU  35   7.228  12.177  -1.747
  Start of MODEL    1
  250    HB3  GLU  35           HB2      GLU  35   9.705  13.482  -0.702
  Start of MODEL    1
  251    HB2  GLU  35           HB3      GLU  35   9.271  11.888  -0.104
  Start of MODEL    1
  252    HG3  GLU  35           HG2      GLU  35   8.209  13.152   1.443
  Start of MODEL    1
  253    HG2  GLU  35           HG3      GLU  35   6.920  13.043   0.245
  Start of MODEL    1
  254    H    HIS  36           H        HIS  36  10.255  13.457  -3.162
  Start of MODEL    1
  255    HA   HIS  36           HA       HIS  36   9.469  16.069  -3.637
  Start of MODEL    1
  256    HB3  HIS  36           HB2      HIS  36  11.224  16.218  -5.251
  Start of MODEL    1
  257    HB2  HIS  36           HB3      HIS  36  11.164  14.489  -5.574
  Start of MODEL    1
  258    HD1  HIS  36           HD1      HIS  36  11.726  16.498  -2.374
  Start of MODEL    1
  259    HD2  HIS  36           HD2      HIS  36  13.317  13.354  -4.572
  Start of MODEL    1
  260    HE1  HIS  36           HE1      HIS  36  13.717  15.703  -1.055
  Start of MODEL    1
  261    HE2  HIS  36           HE2      HIS  36  14.609  13.737  -2.355
  Start of MODEL    1
  262    H    HIS  37           H        HIS  37   9.332  13.428  -6.035
  Start of MODEL    1
  263    HA   HIS  37           HA       HIS  37   7.770  14.978  -7.873
  Start of MODEL    1
  264    HB2  HIS  37           HB2      HIS  37   8.055  12.003  -8.091
  Start of MODEL    1
  265    HB3  HIS  37           HB3      HIS  37   8.003  13.215  -9.368
  Start of MODEL    1
  266    HD1  HIS  37           HD1      HIS  37  10.197  14.478  -9.845
  Start of MODEL    1
  267    HD2  HIS  37           HD2      HIS  37  10.499  11.505  -6.968
  Start of MODEL    1
  268    HE1  HIS  37           HE1      HIS  37  12.630  14.150  -9.478
  Start of MODEL    1
  269    HE2  HIS  37           HE2      HIS  37  12.823  12.228  -7.868
  Start of MODEL    1
  270    H    PHE  38           H        PHE  38   7.085  12.754  -5.312
  Start of MODEL    1
  271    HA   PHE  38           HA       PHE  38   4.463  12.020  -6.175
  Start of MODEL    1
  272    HB2  PHE  38           HB2      PHE  38   5.947  11.729  -3.564
  Start of MODEL    1
  273    HB3  PHE  38           HB3      PHE  38   4.286  11.177  -3.776
  Start of MODEL    1
  274    HD1  PHE  38           HD1      PHE  38   6.314  10.838  -6.758
  Start of MODEL    1
  275    HD2  PHE  38           HD2      PHE  38   5.280   8.953  -3.049
  Start of MODEL    1
  276    HE1  PHE  38           HE1      PHE  38   7.069   8.674  -7.631
  Start of MODEL    1
  277    HE2  PHE  38           HE2      PHE  38   6.066   6.810  -3.924
  Start of MODEL    1
  278    HZ   PHE  38           HZ       PHE  38   6.948   6.665  -6.219
  Start of MODEL    1
  279    H    GLU  39           H        GLU  39   5.760  14.715  -4.401
  Start of MODEL    1
  280    HA   GLU  39           HA       GLU  39   3.168  15.460  -3.302
  Start of MODEL    1
  281    HB2  GLU  39           HB2      GLU  39   5.474  15.773  -2.163
  Start of MODEL    1
  282    HB3  GLU  39           HB3      GLU  39   5.643  17.169  -3.216
  Start of MODEL    1
  283    HG3  GLU  39           HG2      GLU  39   4.616  17.297  -0.756
  Start of MODEL    1
  284    HG2  GLU  39           HG3      GLU  39   3.136  16.969  -1.655
  Start of MODEL    1
  285    H    GLU  40           H        GLU  40   5.233  16.312  -6.001
  Start of MODEL    1
  286    HA   GLU  40           HA       GLU  40   4.115  18.812  -6.626
  Start of MODEL    1
  287    HB2  GLU  40           HB2      GLU  40   5.155  18.612  -8.766
  Start of MODEL    1
  288    HB3  GLU  40           HB3      GLU  40   6.235  17.902  -7.581
  Start of MODEL    1
  289    HG2  GLU  40           HG2      GLU  40   6.342  16.081  -8.820
  Start of MODEL    1
  290    HG3  GLU  40           HG3      GLU  40   4.626  15.809  -8.544
  Start of MODEL    1
  291    H    SER  41           H        SER  41   2.991  15.557  -7.302
  Start of MODEL    1
  292    HA   SER  41           HA       SER  41   0.619  16.722  -8.598
  Start of MODEL    1
  293    HB3  SER  41           HB2      SER  41   0.856  14.070  -9.518
  Start of MODEL    1
  294    HB2  SER  41           HB3      SER  41   2.456  14.800  -9.673
  Start of MODEL    1
  295    HG   SER  41           HG       SER  41   1.151  15.166 -11.521
  Start of MODEL    1
  296    H    SER  42           H        SER  42   0.342  16.524  -6.003
  Start of MODEL    1
  297    HA   SER  42           HA       SER  42  -0.350  14.059  -4.885
  Start of MODEL    1
  298    HB3  SER  42           HB2      SER  42  -1.858  16.552  -4.152
  Start of MODEL    1
  299    HB2  SER  42           HB3      SER  42  -0.139  16.422  -3.780
  Start of MODEL    1
  300    HG   SER  42           HG       SER  42  -1.470  15.682  -2.062
  Start of MODEL    1
  301    HA   PRO  43           HA       PRO  43  -4.906  15.167  -6.515
  Start of MODEL    1
  302    HB2  PRO  43           HB2      PRO  43  -4.073  16.393  -9.072
  Start of MODEL    1
  303    HB3  PRO  43           HB3      PRO  43  -5.421  16.809  -8.011
  Start of MODEL    1
  304    HG2  PRO  43           HG2      PRO  43  -3.279  18.360  -8.089
  Start of MODEL    1
  305    HG3  PRO  43           HG3      PRO  43  -4.058  17.988  -6.537
  Start of MODEL    1
  306    HD2  PRO  43           HD2      PRO  43  -1.581  16.803  -7.743
  Start of MODEL    1
  307    HD3  PRO  43           HD3      PRO  43  -1.873  17.336  -6.074
  Start of MODEL    1
  308    H    CYS  44           H        CYS  44  -2.150  13.927  -8.301
  Start of MODEL    1
  309    HA   CYS  44           HA       CYS  44  -3.764  12.408 -10.150
  Start of MODEL    1
  310    HB3  CYS  44           HB2      CYS  44  -0.838  12.538  -9.486
  Start of MODEL    1
  311    HB2  CYS  44           HB3      CYS  44  -1.637  12.785 -11.037
  Start of MODEL    1
  312    H    LEU  45           H        LEU  45  -2.044  11.945  -7.138
  Start of MODEL    1
  313    HA   LEU  45           HA       LEU  45  -2.716   9.171  -6.895
  Start of MODEL    1
  314    HB2  LEU  45           HB2      LEU  45  -2.118  10.318  -4.336
  Start of MODEL    1
  315    HB3  LEU  45           HB3      LEU  45  -1.232   9.133  -5.258
  Start of MODEL    1
  316    HG   LEU  45           HG       LEU  45  -0.900  12.035  -5.800
  Start of MODEL    1
  317   HD11  LEU  45          HD11      LEU  45  -0.060  10.271  -7.399
  Start of MODEL    1
  318   HD13  LEU  45          HD12      LEU  45   1.051   9.778  -6.119
  Start of MODEL    1
  319   HD12  LEU  45          HD13      LEU  45   1.151  11.403  -6.798
  Start of MODEL    1
  320   HD22  LEU  45          HD21      LEU  45   1.036  12.011  -4.306
  Start of MODEL    1
  321   HD21  LEU  45          HD22      LEU  45   0.552  10.410  -3.756
  Start of MODEL    1
  322   HD23  LEU  45          HD23      LEU  45  -0.492  11.795  -3.454
  Start of MODEL    1
  323    H    GLU  46           H        GLU  46  -4.672  11.869  -6.684
  Start of MODEL    1
  324    HA   GLU  46           HA       GLU  46  -6.371  10.675  -4.601
  Start of MODEL    1
  325    HB2  GLU  46           HB2      GLU  46  -6.531  13.463  -5.753
  Start of MODEL    1
  326    HB3  GLU  46           HB3      GLU  46  -7.389  12.847  -4.347
  Start of MODEL    1
  327    HG3  GLU  46           HG2      GLU  46  -4.718  13.938  -4.572
  Start of MODEL    1
  328    HG2  GLU  46           HG3      GLU  46  -4.730  12.371  -3.764
  Start of MODEL    1
  329    H    LYS  47           H        LYS  47  -5.981  10.215  -7.558
  Start of MODEL    1
  330    HA   LYS  47           HA       LYS  47  -8.743  10.518  -8.528
  Start of MODEL    1
  331    HB3  LYS  47           HB2      LYS  47  -7.671   9.344 -10.646
  Start of MODEL    1
  332    HB2  LYS  47           HB3      LYS  47  -6.175   9.954  -9.959
  Start of MODEL    1
  333    HG3  LYS  47           HG2      LYS  47  -8.283  11.962 -10.066
  Start of MODEL    1
  334    HG2  LYS  47           HG3      LYS  47  -7.863  11.303 -11.649
  Start of MODEL    1
  335    HD3  LYS  47           HD2      LYS  47  -5.554  11.879  -9.965
  Start of MODEL    1
  336    HD2  LYS  47           HD3      LYS  47  -6.524  13.306 -10.339
  Start of MODEL    1
  337    HE2  LYS  47           HE2      LYS  47  -4.707  12.903 -11.977
  Start of MODEL    1
  338    HE3  LYS  47           HE3      LYS  47  -5.461  11.365 -12.390
  Start of MODEL    1
  339    HZ1  LYS  47           HZ1      LYS  47  -7.483  13.176 -12.650
  Start of MODEL    1
  340    HZ3  LYS  47           HZ2      LYS  47  -6.571  12.524 -13.914
  Start of MODEL    1
  341    HZ2  LYS  47           HZ3      LYS  47  -6.139  14.014 -13.244
  Start of MODEL    1
  342    H    TYR  48           H        TYR  48  -6.222   8.055  -8.284
  Start of MODEL    1
  343    HA   TYR  48           HA       TYR  48  -8.290   5.965  -8.266
  Start of MODEL    1
  344    HB3  TYR  48           HB2      TYR  48  -6.539   4.417  -8.902
  Start of MODEL    1
  345    HB2  TYR  48           HB3      TYR  48  -5.305   5.653  -8.648
  Start of MODEL    1
  346    HD1  TYR  48           HD1      TYR  48  -7.894   4.412 -10.914
  Start of MODEL    1
  347    HD2  TYR  48           HD2      TYR  48  -5.056   7.512 -10.234
  Start of MODEL    1
  348    HE1  TYR  48           HE1      TYR  48  -8.130   5.136 -13.252
  Start of MODEL    1
  349    HE2  TYR  48           HE2      TYR  48  -5.283   8.243 -12.569
  Start of MODEL    1
  350    HH   TYR  48           HH       TYR  48  -7.551   7.793 -14.427
  Start of MODEL    1
  351    H    GLY  49           H        GLY  49  -6.357   7.683  -6.090
  Start of MODEL    1
  352    HA3  GLY  49           HA2      GLY  49  -6.950   5.751  -4.008
  Start of MODEL    1
  353    HA2  GLY  49           HA3      GLY  49  -6.400   7.404  -3.772
  Start of MODEL    1
  354    H    LEU  50           H        LEU  50  -4.141   7.365  -5.424
  Start of MODEL    1
  355    HA   LEU  50           HA       LEU  50  -2.452   5.188  -4.502
  Start of MODEL    1
  356    HB3  LEU  50           HB2      LEU  50  -1.136   7.342  -5.954
  Start of MODEL    1
  357    HB2  LEU  50           HB3      LEU  50  -2.544   6.737  -6.799
  Start of MODEL    1
  358    HG   LEU  50           HG       LEU  50  -0.104   5.170  -5.969
  Start of MODEL    1
  359   HD12  LEU  50          HD11      LEU  50   0.318   6.424  -7.921
  Start of MODEL    1
  360   HD11  LEU  50          HD12      LEU  50  -1.271   6.051  -8.592
  Start of MODEL    1
  361   HD13  LEU  50          HD13      LEU  50  -0.045   4.785  -8.466
  Start of MODEL    1
  362   HD22  LEU  50          HD21      LEU  50  -1.328   3.344  -7.340
  Start of MODEL    1
  363   HD21  LEU  50          HD22      LEU  50  -2.787   4.250  -6.936
  Start of MODEL    1
  364   HD23  LEU  50          HD23      LEU  50  -1.773   3.590  -5.652
  Start of MODEL    1
  365    H    GLU  51           H        GLU  51  -3.097   8.512  -3.696
  Start of MODEL    1
  366    HA   GLU  51           HA       GLU  51  -0.736   9.356  -2.582
  Start of MODEL    1
  367    HB3  GLU  51           HB2      GLU  51  -2.160  11.065  -2.271
  Start of MODEL    1
  368    HB2  GLU  51           HB3      GLU  51  -2.419  10.330  -0.697
  Start of MODEL    1
  369    HG3  GLU  51           HG2      GLU  51  -4.209   8.976  -2.158
  Start of MODEL    1
  370    HG2  GLU  51           HG3      GLU  51  -4.180  10.502  -3.027
  Start of MODEL    1
  371    H    GLN  52           H        GLN  52  -3.297   7.692  -0.913
  Start of MODEL    1
  372    HA   GLN  52           HA       GLN  52  -2.167   7.219   1.564
  Start of MODEL    1
  373    HB3  GLN  52           HB2      GLN  52  -3.832   5.643   1.970
  Start of MODEL    1
  374    HB2  GLN  52           HB3      GLN  52  -3.800   5.035   0.323
  Start of MODEL    1
  375    HG2  GLN  52           HG2      GLN  52  -4.628   7.769   0.314
  Start of MODEL    1
  376    HG3  GLN  52           HG3      GLN  52  -5.477   6.338  -0.259
  Start of MODEL    1
  377   HE21  GLN  52          HE21      GLN  52  -6.856   5.217   1.192
  Start of MODEL    1
  378   HE22  GLN  52          HE22      GLN  52  -7.513   6.007   2.580
  Start of MODEL    1
  379    H    ALA  53           H        ALA  53  -1.734   5.363  -1.410
  Start of MODEL    1
  380    HA   ALA  53           HA       ALA  53  -0.167   3.342  -0.086
  Start of MODEL    1
  381    HB2  ALA  53           HB1      ALA  53  -0.207   3.716  -3.056
  Start of MODEL    1
  382    HB1  ALA  53           HB2      ALA  53  -1.576   3.016  -2.191
  Start of MODEL    1
  383    HB3  ALA  53           HB3      ALA  53   0.006   2.235  -2.118
  Start of MODEL    1
  384    H    VAL  54           H        VAL  54   0.684   5.838  -2.530
  Start of MODEL    1
  385    HA   VAL  54           HA       VAL  54   3.434   5.360  -2.472
  Start of MODEL    1
  386    HB   VAL  54           HB       VAL  54   3.724   7.606  -3.437
  Start of MODEL    1
  387    H    LYS  55           H        LYS  55   1.475   7.327  -0.278
  Start of MODEL    1
  388    HA   LYS  55           HA       LYS  55   3.553   8.726   1.013
  Start of MODEL    1
  389    HB3  LYS  55           HB2      LYS  55   2.074   8.730   3.027
  Start of MODEL    1
  390    HB2  LYS  55           HB3      LYS  55   1.022   7.573   2.232
  Start of MODEL    1
  391    HG3  LYS  55           HG2      LYS  55   0.689  10.277   2.259
  Start of MODEL    1
  392    HG2  LYS  55           HG3      LYS  55  -0.069   9.156   1.128
  Start of MODEL    1
  393    HD3  LYS  55           HD2      LYS  55   1.659   9.577  -0.511
  Start of MODEL    1
  394    HD2  LYS  55           HD3      LYS  55   2.567  10.558   0.641
  Start of MODEL    1
  395    HE2  LYS  55           HE2      LYS  55   1.148  11.765  -1.122
  Start of MODEL    1
  396    HE3  LYS  55           HE3      LYS  55  -0.240  11.264  -0.158
  Start of MODEL    1
  397    HZ3  LYS  55           HZ1      LYS  55   0.657  12.440   1.728
  Start of MODEL    1
  398    HZ2  LYS  55           HZ2      LYS  55   0.546  13.496   0.413
  Start of MODEL    1
  399    HZ1  LYS  55           HZ3      LYS  55   2.048  12.862   0.862
  Start of MODEL    1
  400    H    LYS  56           H        LYS  56   2.243   5.548   1.385
  Start of MODEL    1
  401    HA   LYS  56           HA       LYS  56   3.776   4.701   3.608
  Start of MODEL    1
  402    HB3  LYS  56           HB2      LYS  56   3.158   2.351   2.461
  Start of MODEL    1
  403    HB2  LYS  56           HB3      LYS  56   2.006   3.395   1.652
  Start of MODEL    1
  404    HG2  LYS  56           HG2      LYS  56   0.747   2.761   3.431
  Start of MODEL    1
  405    HG3  LYS  56           HG3      LYS  56   2.142   2.576   4.487
  Start of MODEL    1
  406    HD2  LYS  56           HD2      LYS  56   1.628   4.521   5.426
  Start of MODEL    1
  407    HD3  LYS  56           HD3      LYS  56   2.026   5.315   3.909
  Start of MODEL    1
  408    HE3  LYS  56           HE2      LYS  56  -0.609   4.189   3.758
  Start of MODEL    1
  409    HE2  LYS  56           HE3      LYS  56  -0.080   5.859   3.553
  Start of MODEL    1
  410    HZ2  LYS  56           HZ1      LYS  56  -1.672   5.648   5.356
  Start of MODEL    1
  411    HZ1  LYS  56           HZ2      LYS  56  -0.168   6.144   5.951
  Start of MODEL    1
  412    HZ3  LYS  56           HZ3      LYS  56  -0.669   4.541   6.151
  Start of MODEL    1
  413    H    LEU  57           H        LEU  57   4.314   4.479   0.098
  Start of MODEL    1
  414    HA   LEU  57           HA       LEU  57   6.615   2.854   0.194
  Start of MODEL    1
  415    HB2  LEU  57           HB2      LEU  57   6.037   5.030  -1.795
  Start of MODEL    1
  416    HB3  LEU  57           HB3      LEU  57   7.134   3.688  -2.009
  Start of MODEL    1
  417    HG   LEU  57           HG       LEU  57   4.164   3.719  -2.133
  Start of MODEL    1
  418   HD13  LEU  57          HD11      LEU  57   4.477   2.883  -4.239
  Start of MODEL    1
  419   HD12  LEU  57          HD12      LEU  57   5.972   2.047  -3.808
  Start of MODEL    1
  420   HD11  LEU  57          HD13      LEU  57   5.973   3.806  -4.057
  Start of MODEL    1
  421   HD22  LEU  57          HD21      LEU  57   4.520   1.990  -0.518
  Start of MODEL    1
  422   HD21  LEU  57          HD22      LEU  57   5.854   1.320  -1.456
  Start of MODEL    1
  423   HD23  LEU  57          HD23      LEU  57   4.206   1.226  -2.075
  Start of MODEL    1
  424    H    VAL  58           H        VAL  58   6.103   6.305   0.453
  Start of MODEL    1
  425    HA   VAL  58           HA       VAL  58   8.864   7.028   0.458
  Start of MODEL    1
  426    HB   VAL  58           HB       VAL  58   6.415   8.518   1.422
  Start of MODEL    1
  427    H    LYS  59           H        LYS  59   6.554   6.105   2.888
  Start of MODEL    1
  428    HA   LYS  59           HA       LYS  59   7.673   6.967   5.246
  Start of MODEL    1
  429    HB3  LYS  59           HB2      LYS  59   6.206   4.400   4.711
  Start of MODEL    1
  430    HB2  LYS  59           HB3      LYS  59   5.448   5.977   4.849
  Start of MODEL    1
  431    HG3  LYS  59           HG2      LYS  59   6.409   6.088   7.178
  Start of MODEL    1
  432    HG2  LYS  59           HG3      LYS  59   6.809   4.373   6.979
  Start of MODEL    1
  433    HD3  LYS  59           HD2      LYS  59   4.098   5.218   6.199
  Start of MODEL    1
  434    HD2  LYS  59           HD3      LYS  59   4.444   5.232   7.937
  Start of MODEL    1
  435    HE3  LYS  59           HE2      LYS  59   5.254   2.867   7.701
  Start of MODEL    1
  436    HE2  LYS  59           HE3      LYS  59   4.665   2.893   6.033
  Start of MODEL    1
  437    HZ3  LYS  59           HZ1      LYS  59   3.096   1.894   7.645
  Start of MODEL    1
  438    HZ2  LYS  59           HZ2      LYS  59   2.444   3.213   6.812
  Start of MODEL    1
  439    HZ1  LYS  59           HZ3      LYS  59   2.956   3.395   8.414
  Start of MODEL    1
  440    H    ARG  60           H        ARG  60   8.541   4.114   3.332
  Start of MODEL    1
  441    HA   ARG  60           HA       ARG  60  10.000   2.888   5.440
  Start of MODEL    1
  442    HB2  ARG  60           HB2      ARG  60  10.785   1.285   3.803
  Start of MODEL    1
  443    HB3  ARG  60           HB3      ARG  60   9.057   1.546   3.670
  Start of MODEL    1
  444    HG3  ARG  60           HG2      ARG  60  11.210   2.081   1.753
  Start of MODEL    1
  445    HG2  ARG  60           HG3      ARG  60   9.944   3.307   1.840
  Start of MODEL    1
  446    HD3  ARG  60           HD2      ARG  60   8.272   1.473   1.598
  Start of MODEL    1
  447    HD2  ARG  60           HD3      ARG  60   9.616   0.376   1.295
  Start of MODEL    1
  448    HE   ARG  60           HE       ARG  60   9.713   2.616  -0.451
  Start of MODEL    1
  449   HH11  ARG  60          HH11      ARG  60   8.040  -0.419   0.037
  Start of MODEL    1
  450   HH12  ARG  60          HH12      ARG  60   7.655  -0.616  -1.638
  Start of MODEL    1
  451   HH21  ARG  60          HH21      ARG  60   9.199   2.350  -2.651
  Start of MODEL    1
  452   HH22  ARG  60          HH22      ARG  60   8.310   0.955  -3.162
  Start of MODEL    1
  453    H    ALA  61           H        ALA  61  11.335   4.338   2.409
  Start of MODEL    1
  454    HA   ALA  61           HA       ALA  61  13.375   5.259   1.982
  Start of MODEL    1
  455    HB1  ALA  61           HB1      ALA  61  12.493   6.916   3.594
  Start of MODEL    1
  456    HB3  ALA  61           HB2      ALA  61  14.252   6.798   3.625
  Start of MODEL    1
  457    HB2  ALA  61           HB3      ALA  61  13.295   6.036   4.897
  Start of MODEL    1
  458    H    ALA  62           H        ALA  62  15.764   5.409   2.856
  Start of MODEL    1
  459    HA   ALA  62           HA       ALA  62  16.705   2.743   3.094
  Start of MODEL    1
  460    HB3  ALA  62           HB1      ALA  62  17.971   4.466   1.914
  Start of MODEL    1
  461    HB2  ALA  62           HB2      ALA  62  18.933   3.739   3.200
  Start of MODEL    1
  462    HB1  ALA  62           HB3      ALA  62  18.215   5.334   3.430
  Start of MODEL    1
  463    H    GLY  63           H        GLY  63  17.452   1.599   4.827
  Start of MODEL    1
  464    HA2  GLY  63           HA2      GLY  63  18.287   1.335   7.032
  Start of MODEL    1
  465    HA3  GLY  63           HA3      GLY  63  17.671   2.935   7.434
  Start of MODEL    1
  466    H    GLN  64           H        GLN  64  15.045   2.749   6.615
  Start of MODEL    1
  467    HA   GLN  64           HA       GLN  64  13.928   1.112   8.703
  Start of MODEL    1
  468    HB3  GLN  64           HB2      GLN  64  12.038   2.465   6.920
  Start of MODEL    1
  469    HB2  GLN  64           HB3      GLN  64  13.256   3.538   7.589
  Start of MODEL    1
  470    HG2  GLN  64           HG2      GLN  64  11.578   1.708   9.278
  Start of MODEL    1
  471    HG3  GLN  64           HG3      GLN  64  12.619   3.028   9.811
  Start of MODEL    1
  472   HE22  GLN  64          HE21      GLN  64  10.293   5.567   9.153
  Start of MODEL    1
  473   HE21  GLN  64          HE22      GLN  64  11.954   5.184   9.429
  Start of MODEL    1
  474    H    ASP  65           H        ASP  65  11.352   0.732   7.218
  Start of MODEL    1
  475    HA   ASP  65           HA       ASP  65  11.549  -1.908   6.523
  Start of MODEL    1
  476    HB3  ASP  65           HB2      ASP  65   9.487  -1.378   5.015
  Start of MODEL    1
  477    HB2  ASP  65           HB3      ASP  65   9.641   0.252   5.666
  Start of MODEL    1
  478    H    ASP  66           H        ASP  66  12.619   0.805   4.678
  Start of MODEL    1
  479    HA   ASP  66           HA       ASP  66  13.656   1.041   2.685
  Start of MODEL    1
  480    HB2  ASP  66           HB2      ASP  66  14.280  -1.722   3.481
  Start of MODEL    1
  481    HB3  ASP  66           HB3      ASP  66  14.605  -1.310   1.808
  Start of MODEL    1
  482    H    VAL  67           H        VAL  67  11.957  -2.068   2.374
  Start of MODEL    1
  483    HA   VAL  67           HA       VAL  67   9.941  -1.368   0.652
  Start of MODEL    1
  484    HB   VAL  67           HB       VAL  67  11.365  -0.647  -1.077
  Start of MODEL    1
  485    HA   PRO  68           HA       PRO  68   9.716  -5.611   2.209
  Start of MODEL    1
  486    HB3  PRO  68           HB2      PRO  68   8.008  -5.006   3.581
  Start of MODEL    1
  487    HB2  PRO  68           HB3      PRO  68   7.006  -5.701   2.304
  Start of MODEL    1
  488    HG3  PRO  68           HG2      PRO  68   6.696  -3.165   3.079
  Start of MODEL    1
  489    HG2  PRO  68           HG3      PRO  68   6.528  -3.636   1.384
  Start of MODEL    1
  490    HD3  PRO  68           HD2      PRO  68   8.744  -2.212   2.723
  Start of MODEL    1
  491    HD2  PRO  68           HD3      PRO  68   8.131  -2.048   1.073
  Start of MODEL    1
  492    H    GLY  69           H        GLY  69   8.816  -4.290  -0.773
  Start of MODEL    1
  493    HA3  GLY  69           HA2      GLY  69   8.767  -6.908  -1.989
  Start of MODEL    1
  494    HA2  GLY  69           HA3      GLY  69   8.632  -5.364  -2.821
  Start of MODEL    1
  495    H    ASP  70           H        ASP  70   6.551  -5.801  -0.140
  Start of MODEL    1
  496    HA   ASP  70           HA       ASP  70   4.350  -6.859  -1.689
  Start of MODEL    1
  497    HB3  ASP  70           HB2      ASP  70   4.202  -5.868   1.159
  Start of MODEL    1
  498    HB2  ASP  70           HB3      ASP  70   4.879  -7.449   0.764
  Start of MODEL    1
  499    H    LEU  71           H        LEU  71   5.596  -3.754  -0.634
  Start of MODEL    1
  500    HA   LEU  71           HA       LEU  71   3.025  -2.464  -1.127
  Start of MODEL    1
  501    HB3  LEU  71           HB2      LEU  71   4.114  -0.357  -0.689
  Start of MODEL    1
  502    HB2  LEU  71           HB3      LEU  71   5.698  -1.112  -0.728
  Start of MODEL    1
  503    HG   LEU  71           HG       LEU  71   4.891  -2.471   1.293
  Start of MODEL    1
  504   HD11  LEU  71          HD11      LEU  71   6.517  -0.605   1.345
  Start of MODEL    1
  505   HD13  LEU  71          HD12      LEU  71   5.559  -0.733   2.822
  Start of MODEL    1
  506   HD12  LEU  71          HD13      LEU  71   5.181   0.511   1.629
  Start of MODEL    1
  507   HD22  LEU  71          HD21      LEU  71   2.675  -2.250   1.684
  Start of MODEL    1
  508   HD21  LEU  71          HD22      LEU  71   2.579  -0.700   0.840
  Start of MODEL    1
  509   HD23  LEU  71          HD23      LEU  71   3.150  -0.764   2.509
  Start of MODEL    1
  510    H    ARG  72           H        ARG  72   6.254  -2.622  -2.588
  Start of MODEL    1
  511    HA   ARG  72           HA       ARG  72   5.796  -1.049  -4.827
  Start of MODEL    1
  512    HB2  ARG  72           HB2      ARG  72   8.002  -1.905  -4.123
  Start of MODEL    1
  513    HB3  ARG  72           HB3      ARG  72   7.501  -3.508  -4.605
  Start of MODEL    1
  514    HG3  ARG  72           HG2      ARG  72   8.865  -1.706  -6.141
  Start of MODEL    1
  515    HG2  ARG  72           HG3      ARG  72   7.211  -1.556  -6.730
  Start of MODEL    1
  516    HD2  ARG  72           HD2      ARG  72   7.107  -3.900  -7.219
  Start of MODEL    1
  517    HD3  ARG  72           HD3      ARG  72   8.576  -3.245  -7.941
  Start of MODEL    1
  518    HE   ARG  72           HE       ARG  72   8.396  -5.218  -5.863
  Start of MODEL    1
  519   HH22  ARG  72          HH11      ARG  72  11.843  -5.398  -5.447
  Start of MODEL    1
  520   HH21  ARG  72          HH12      ARG  72  10.324  -6.151  -5.093
  Start of MODEL    1
  521   HH21  ARG  72          HH21      ARG  72  11.918  -3.475  -6.681
  Start of MODEL    1
  522   HH22  ARG  72          HH22      ARG  72  10.459  -2.757  -7.273
  Start of MODEL    1
  523    H    ALA  73           H        ALA  73   5.740  -4.579  -4.674
  Start of MODEL    1
  524    HA   ALA  73           HA       ALA  73   4.703  -5.181  -7.140
  Start of MODEL    1
  525    HB1  ALA  73           HB1      ALA  73   4.116  -6.608  -4.540
  Start of MODEL    1
  526    HB3  ALA  73           HB2      ALA  73   5.472  -6.915  -5.626
  Start of MODEL    1
  527    HB2  ALA  73           HB3      ALA  73   3.827  -7.271  -6.150
  Start of MODEL    1
  528    H    LYS  74           H        LYS  74   3.100  -4.019  -4.323
  Start of MODEL    1
  529    HA   LYS  74           HA       LYS  74   0.430  -4.367  -5.297
  Start of MODEL    1
  530    HB3  LYS  74           HB2      LYS  74   0.985  -2.418  -3.165
  Start of MODEL    1
  531    HB2  LYS  74           HB3      LYS  74   1.430  -4.072  -2.836
  Start of MODEL    1
  532    HG2  LYS  74           HG2      LYS  74  -1.052  -2.958  -2.442
  Start of MODEL    1
  533    HG3  LYS  74           HG3      LYS  74  -1.243  -3.839  -3.956
  Start of MODEL    1
  534    HD3  LYS  74           HD2      LYS  74  -1.635  -5.020  -1.631
  Start of MODEL    1
  535    HD2  LYS  74           HD3      LYS  74   0.121  -5.191  -1.674
  Start of MODEL    1
  536    HE2  LYS  74           HE2      LYS  74  -1.793  -6.138  -3.806
  Start of MODEL    1
  537    HE3  LYS  74           HE3      LYS  74  -0.039  -6.314  -3.841
  Start of MODEL    1
  538    HZ3  LYS  74           HZ1      LYS  74  -0.174  -7.691  -1.859
  Start of MODEL    1
  539    HZ2  LYS  74           HZ2      LYS  74  -1.113  -8.344  -3.105
  Start of MODEL    1
  540    HZ1  LYS  74           HZ3      LYS  74  -1.858  -7.523  -1.827
  Start of MODEL    1
  541    H    VAL  75           H        VAL  75   2.739  -1.701  -5.067
  Start of MODEL    1
  542    HA   VAL  75           HA       VAL  75   0.876   0.212  -6.129
  Start of MODEL    1
  543    HB   VAL  75           HB       VAL  75   2.889   0.803  -4.672
  Start of MODEL    1
  544    H    MET  76           H        MET  76   3.769  -1.436  -7.578
  Start of MODEL    1
  545    HA   MET  76           HA       MET  76   3.479  -0.410 -10.132
  Start of MODEL    1
  546    HB2  MET  76           HB2      MET  76   4.348  -3.201  -9.447
  Start of MODEL    1
  547    HB3  MET  76           HB3      MET  76   4.727  -2.333 -10.919
  Start of MODEL    1
  548    HG2  MET  76           HG2      MET  76   5.680  -0.659  -8.957
  Start of MODEL    1
  549    HG3  MET  76           HG3      MET  76   6.014  -2.262  -8.304
  Start of MODEL    1
  550    HE2  MET  76           HE1      MET  76   6.466  -3.884 -11.186
  Start of MODEL    1
  551    HE1  MET  76           HE2      MET  76   7.285  -4.128  -9.644
  Start of MODEL    1
  552    HE3  MET  76           HE3      MET  76   8.227  -3.852 -11.108
  Start of MODEL    1
  553    H    GLY  77           H        GLY  77   2.111  -3.388  -8.787
  Start of MODEL    1
  554    HA2  GLY  77           HA2      GLY  77   0.646  -4.196 -11.036
  Start of MODEL    1
  555    HA3  GLY  77           HA3      GLY  77   0.264  -4.632  -9.380
  Start of MODEL    1
  556    H    ARG  78           H        ARG  78  -0.011  -1.776  -8.600
  Start of MODEL    1
  557    HA   ARG  78           HA       ARG  78  -2.770  -1.459  -9.257
  Start of MODEL    1
  558    HB3  ARG  78           HB2      ARG  78  -0.947   0.497  -7.855
  Start of MODEL    1
  559    HB2  ARG  78           HB3      ARG  78  -1.782  -0.827  -7.070
  Start of MODEL    1
  560    HG3  ARG  78           HG2      ARG  78  -3.730   0.613  -8.510
  Start of MODEL    1
  561    HG2  ARG  78           HG3      ARG  78  -2.736   1.789  -7.652
  Start of MODEL    1
  562    HD2  ARG  78           HD2      ARG  78  -4.397  -0.444  -6.549
  Start of MODEL    1
  563    HD3  ARG  78           HD3      ARG  78  -3.052   0.223  -5.618
  Start of MODEL    1
  564    HE   ARG  78           HE       ARG  78  -4.574   2.382  -6.431
  Start of MODEL    1
  565   HH12  ARG  78          HH11      ARG  78  -6.245   0.286  -3.445
  Start of MODEL    1
  566   HH11  ARG  78          HH12      ARG  78  -5.066  -0.471  -4.461
  Start of MODEL    1
  567   HH22  ARG  78          HH21      ARG  78  -6.849   2.463  -3.802
  Start of MODEL    1
  568   HH21  ARG  78          HH22      ARG  78  -6.128   3.369  -5.091
  Start of MODEL    1
  569    H    LEU  79           H        LEU  79   0.312   0.096 -10.139
  Start of MODEL    1
  570    HA   LEU  79           HA       LEU  79  -0.734   2.170 -11.726
  Start of MODEL    1
  571    HB3  LEU  79           HB2      LEU  79   1.816   0.598 -11.793
  Start of MODEL    1
  572    HB2  LEU  79           HB3      LEU  79   1.586   2.303 -11.491
  Start of MODEL    1
  573    HG   LEU  79           HG       LEU  79   0.804   2.195 -14.061
  Start of MODEL    1
  574   HD13  LEU  79          HD11      LEU  79   2.501   3.584 -14.315
  Start of MODEL    1
  575   HD12  LEU  79          HD12      LEU  79   3.673   2.292 -14.069
  Start of MODEL    1
  576   HD11  LEU  79          HD13      LEU  79   3.020   3.164 -12.683
  Start of MODEL    1
  577   HD23  LEU  79          HD21      LEU  79   2.885   0.647 -14.933
  Start of MODEL    1
  578   HD22  LEU  79          HD22      LEU  79   1.184   0.194 -14.950
  Start of MODEL    1
  579   HD21  LEU  79          HD23      LEU  79   2.213  -0.309 -13.612
  Start of MODEL    1
  580    H    ASP  80           H        ASP  80   0.305  -1.090 -12.582
  Start of MODEL    1
  581    HA   ASP  80           HA       ASP  80  -0.518  -1.193 -15.206
  Start of MODEL    1
  582    HB3  ASP  80           HB2      ASP  80  -0.604  -3.488 -13.209
  Start of MODEL    1
  583    HB2  ASP  80           HB3      ASP  80   0.854  -2.922 -14.024
  Start of MODEL    1
  584    H    LEU  81           H        LEU  81  -2.421  -1.363 -12.264
  Start of MODEL    1
  585    HA   LEU  81           HA       LEU  81  -4.800  -2.285 -13.613
  Start of MODEL    1
  586    HB2  LEU  81           HB2      LEU  81  -5.024  -3.030 -11.497
  Start of MODEL    1
  587    HB3  LEU  81           HB3      LEU  81  -3.866  -1.875 -10.877
  Start of MODEL    1
  588    HG   LEU  81           HG       LEU  81  -5.618  -0.163 -10.758
  Start of MODEL    1
  589   HD12  LEU  81          HD11      LEU  81  -6.886  -1.157  -8.913
  Start of MODEL    1
  590   HD11  LEU  81          HD12      LEU  81  -5.168  -1.537  -8.813
  Start of MODEL    1
  591   HD13  LEU  81          HD13      LEU  81  -6.308  -2.755  -9.384
  Start of MODEL    1
  592   HD21  LEU  81          HD21      LEU  81  -6.937  -1.584 -12.621
  Start of MODEL    1
  593   HD23  LEU  81          HD22      LEU  81  -7.701  -0.393 -11.569
  Start of MODEL    1
  594   HD22  LEU  81          HD23      LEU  81  -7.787  -2.110 -11.171
  Start of MODEL    1
  595    H    ILE  82           H        ILE  82  -3.449   0.626 -12.199
  Start of MODEL    1
  596    HA   ILE  82           HA       ILE  82  -5.619   2.388 -12.635
  Start of MODEL    1
  597    HB   ILE  82           HB       ILE  82  -2.651   2.940 -12.408
  Start of MODEL    1
  598   HD11  ILE  82          HD11      ILE  82  -2.128   4.224 -10.395
  Start of MODEL    1
  599   HD13  ILE  82          HD12      ILE  82  -2.134   2.680  -9.544
  Start of MODEL    1
  600   HD12  ILE  82          HD13      ILE  82  -3.107   4.021  -8.943
  Start of MODEL    1
  601    H    ARG  83           H        ARG  83  -2.591   2.045 -14.466
  Start of MODEL    1
  602    HA   ARG  83           HA       ARG  83  -3.238   3.658 -16.629
  Start of MODEL    1
  603    HB3  ARG  83           HB2      ARG  83  -0.979   2.810 -16.047
  Start of MODEL    1
  604    HB2  ARG  83           HB3      ARG  83  -1.370   2.661 -17.752
  Start of MODEL    1
  605    HG3  ARG  83           HG2      ARG  83  -2.070   0.262 -16.303
  Start of MODEL    1
  606    HG2  ARG  83           HG3      ARG  83  -0.381   0.700 -16.045
  Start of MODEL    1
  607    HD3  ARG  83           HD2      ARG  83   0.000   0.796 -18.427
  Start of MODEL    1
  608    HD2  ARG  83           HD3      ARG  83  -1.710   0.484 -18.725
  Start of MODEL    1
  609    HE   ARG  83           HE       ARG  83  -0.428  -1.569 -17.181
  Start of MODEL    1
  610   HH12  ARG  83          HH11      ARG  83  -0.863  -2.013 -21.147
  Start of MODEL    1
  611   HH11  ARG  83          HH12      ARG  83  -1.053  -0.444 -20.442
  Start of MODEL    1
  612   HH21  ARG  83          HH21      ARG  83  -0.177  -3.629 -18.123
  Start of MODEL    1
  613   HH22  ARG  83          HH22      ARG  83  -0.367  -3.818 -19.835
  Start of MODEL    1
  614    H    SER  84           H        SER  84  -4.187   0.354 -15.977
  Start of MODEL    1
  615    HA   SER  84           HA       SER  84  -5.548   0.268 -18.575
  Start of MODEL    1
  616    HB3  SER  84           HB2      SER  84  -4.805  -2.190 -17.009
  Start of MODEL    1
  617    HB2  SER  84           HB3      SER  84  -3.658  -1.416 -18.107
  Start of MODEL    1
  618    HG   SER  84           HG       SER  84  -6.021  -2.794 -18.672
  Start of MODEL    1
  619    H    GLY  85           H        GLY  85  -6.605   1.365 -16.002
  Start of MODEL    1
  620    HA3  GLY  85           HA2      GLY  85  -8.527  -0.561 -15.053
  Start of MODEL    1
  621    HA2  GLY  85           HA3      GLY  85  -9.228   0.653 -16.114
  Start of MODEL    1
  622    H    GLN  86           H        GLN  86 -10.469   0.909 -13.963
  Start of MODEL    1
  623    HA   GLN  86           HA       GLN  86  -9.095   2.908 -12.323
  Start of MODEL    1
  624    HB3  GLN  86           HB2      GLN  86 -10.904   3.777 -13.788
  Start of MODEL    1
  625    HB2  GLN  86           HB3      GLN  86 -11.153   4.092 -12.074
  Start of MODEL    1
  626    HG3  GLN  86           HG2      GLN  86 -12.853   2.476 -11.920
  Start of MODEL    1
  627    HG2  GLN  86           HG3      GLN  86 -12.420   1.754 -13.470
  Start of MODEL    1
  628   HE21  GLN  86          HE21      GLN  86 -12.959   2.874 -15.398
  Start of MODEL    1
  629   HE22  GLN  86          HE22      GLN  86 -14.221   4.054 -15.414
  Start of MODEL    1
  630    H    SER  87           H        SER  87 -11.436   0.239 -12.235
  Start of MODEL    1
  631    HA   SER  87           HA       SER  87 -12.192   0.279  -9.589
  Start of MODEL    1
  632    HB3  SER  87           HB2      SER  87 -11.536  -2.373 -10.810
  Start of MODEL    1
  633    HB2  SER  87           HB3      SER  87 -12.780  -1.377 -11.565
  Start of MODEL    1
  634    HG   SER  87           HG       SER  87 -13.630  -2.807  -9.978
  Start of MODEL    1
  635    H    VAL  88           H        VAL  88 -11.115   0.181  -7.723
  Start of MODEL    1
  636    HA   VAL  88           HA       VAL  88  -8.517  -1.177  -7.678
  Start of MODEL    1
  637    HB   VAL  88           HB       VAL  88  -8.020   0.439  -5.717
  Start of MODEL    1
  638    HA   PRO  89           HA       PRO  89 -10.141  -3.487  -4.246
  Start of MODEL    1
  639    HB3  PRO  89           HB2      PRO  89  -8.827  -5.069  -5.337
  Start of MODEL    1
  640    HB2  PRO  89           HB3      PRO  89  -7.989  -4.972  -3.780
  Start of MODEL    1
  641    HG3  PRO  89           HG2      PRO  89  -6.739  -4.523  -6.149
  Start of MODEL    1
  642    HG2  PRO  89           HG3      PRO  89  -6.257  -3.729  -4.636
  Start of MODEL    1
  643    HD2  PRO  89           HD2      PRO  89  -6.798  -1.748  -5.587
  Start of MODEL    1
  644    HD3  PRO  89           HD3      PRO  89  -7.450  -2.581  -7.012
  Start of MODEL    1
  645    H    GLU  90           H        GLU  90  -9.133  -4.343  -2.045
  Start of MODEL    1
  646    HA   GLU  90           HA       GLU  90  -8.596  -2.005  -0.442
  Start of MODEL    1
  647    HB3  GLU  90           HB2      GLU  90 -10.235  -3.500   0.428
  Start of MODEL    1
  648    HB2  GLU  90           HB3      GLU  90  -8.829  -3.564   1.474
  Start of MODEL    1
  649    HG3  GLU  90           HG2      GLU  90  -9.126  -5.742   1.349
  Start of MODEL    1
  650    HG2  GLU  90           HG3      GLU  90  -8.248  -5.584  -0.159
  Start of MODEL    1
  651    H    HIS  91           H        HIS  91  -6.425  -1.787  -1.587
  Start of MODEL    1
  652    HA   HIS  91           HA       HIS  91  -4.332  -3.591  -0.690
  Start of MODEL    1
  653    HB3  HIS  91           HB2      HIS  91  -2.870  -1.783  -1.865
  Start of MODEL    1
  654    HB2  HIS  91           HB3      HIS  91  -4.405  -1.159  -2.458
  Start of MODEL    1
  655    HD1  HIS  91           HD1      HIS  91  -3.349  -1.788  -4.848
  Start of MODEL    1
  656    HD2  HIS  91           HD2      HIS  91  -4.342  -4.990  -2.392
  Start of MODEL    1
  657    HE1  HIS  91           HE1      HIS  91  -3.413  -3.798  -6.356
  Start of MODEL    1
  658    HE2  HIS  91           HE2      HIS  91  -4.098  -5.708  -4.864
  Start of MODEL    1
  659    H    ASP  92           H        ASP  92  -5.943  -1.007   0.680
  Start of MODEL    1
  660    HA   ASP  92           HA       ASP  92  -3.827   0.367   1.978
  Start of MODEL    1
  661    HB2  ASP  92           HB2      ASP  92  -6.742   0.075   2.717
  Start of MODEL    1
  662    HB3  ASP  92           HB3      ASP  92  -5.627   1.184   3.507
  Start of MODEL    1
  663    H    VAL  93           H        VAL  93  -5.323  -2.689   2.518
  Start of MODEL    1
  664    HA   VAL  93           HA       VAL  93  -5.057  -3.059   5.251
  Start of MODEL    1
  665    HB   VAL  93           HB       VAL  93  -6.166  -4.661   3.714
  Start of MODEL    1
  666    H    ALA  94           H        ALA  94  -2.613  -2.899   2.828
  Start of MODEL    1
  667    HA   ALA  94           HA       ALA  94  -0.564  -4.274   4.178
  Start of MODEL    1
  668    HB1  ALA  94           HB1      ALA  94  -0.831  -2.976   1.735
  Start of MODEL    1
  669    HB3  ALA  94           HB2      ALA  94   0.595  -3.832   2.329
  Start of MODEL    1
  670    HB2  ALA  94           HB3      ALA  94   0.448  -2.093   2.574
  Start of MODEL    1
  671    H    ALA  95           H        ALA  95  -1.870  -1.092   4.533
  Start of MODEL    1
  672    HA   ALA  95           HA       ALA  95  -0.301  -0.652   6.924
  Start of MODEL    1
  673    HB3  ALA  95           HB1      ALA  95   1.061   0.419   5.199
  Start of MODEL    1
  674    HB2  ALA  95           HB2      ALA  95   0.352   1.623   6.275
  Start of MODEL    1
  675    HB1  ALA  95           HB3      ALA  95  -0.334   1.360   4.672
  Start of MODEL    1
  676    H    ALA  96           H        ALA  96  -2.454  -1.153   7.728
  Start of MODEL    1
  677    HA   ALA  96           HA       ALA  96  -4.320  -0.453   8.843
  Start of MODEL    1
  678    HB2  ALA  96           HB1      ALA  96  -4.203   2.252   7.546
  Start of MODEL    1
  679    HB1  ALA  96           HB2      ALA  96  -3.118   1.830   8.871
  Start of MODEL    1
  680    HB3  ALA  96           HB3      ALA  96  -4.863   1.796   9.117
  Start of MODEL    1
  681    HA   PRO  97           HA       PRO  97  -6.675  -1.434   5.077
  Start of MODEL    1
  682    HB2  PRO  97           HB2      PRO  97  -8.260  -3.307   6.163
  Start of MODEL    1
  683    HB3  PRO  97           HB3      PRO  97  -6.560  -3.633   5.784
  Start of MODEL    1
  684    HG3  PRO  97           HG2      PRO  97  -6.616  -4.192   8.046
  Start of MODEL    1
  685    HG2  PRO  97           HG3      PRO  97  -7.809  -2.934   8.419
  Start of MODEL    1
  686    HD3  PRO  97           HD2      PRO  97  -4.862  -2.707   8.067
  Start of MODEL    1
  687    HD2  PRO  97           HD3      PRO  97  -5.956  -1.762   9.096
  Start of MODEL    1
  688    H    SER  98           H        SER  98  -8.107   0.074   4.480
  Start of MODEL    1
  689    HA   SER  98           HA       SER  98 -10.692   0.219   5.641
  Start of MODEL    1
  690    HB3  SER  98           HB2      SER  98  -9.591   1.526   7.370
  Start of MODEL    1
  691    HB2  SER  98           HB3      SER  98 -10.603   2.592   6.396
  Start of MODEL    1
  692    HG   SER  98           HG       SER  98  -8.536   3.490   6.764
  Start of MODEL    1
  693    H    SER  99           H        SER  99  -9.862  -0.271   3.040
  Start of MODEL    1
  694    HA   SER  99           HA       SER  99  -9.944   2.100   1.436
  Start of MODEL    1
  695    HB2  SER  99           HB2      SER  99  -9.998   0.604  -0.467
  Start of MODEL    1
  696    HB3  SER  99           HB3      SER  99  -8.850  -0.032   0.716
  Start of MODEL    1
  697    HG   SER  99           HG       SER  99 -11.252  -1.075  -0.160
  Start of MODEL    1
  698    H    SER 100           H        SER 100 -12.306  -0.431   2.253
  Start of MODEL    1
  699    HA   SER 100           HA       SER 100 -14.476   1.443   1.742
  Start of MODEL    1
  700    HB3  SER 100           HB2      SER 100 -14.465  -1.278   0.413
  Start of MODEL    1
  701    HB2  SER 100           HB3      SER 100 -14.068   0.226  -0.419
  Start of MODEL    1
  702    HG   SER 100           HG       SER 100 -16.268  -0.355  -0.682
  Start of MODEL    1
  703    H    ALA 101           H        ALA 101 -13.707  -1.939   2.595
  Start of MODEL    1
  704    HA   ALA 101           HA       ALA 101 -15.699  -1.751   4.766
  Start of MODEL    1
  705    HB3  ALA 101           HB1      ALA 101 -16.473  -3.259   3.012
  Start of MODEL    1
  706    HB2  ALA 101           HB2      ALA 101 -16.121  -4.145   4.496
  Start of MODEL    1
  707    HB1  ALA 101           HB3      ALA 101 -14.985  -4.196   3.147
  Start of MODEL    1
  708    HA   PRO 102           HA       PRO 102 -11.513  -2.129   6.778
  Start of MODEL    1
  709    HB2  PRO 102           HB2      PRO 102 -13.361  -1.337   8.994
  Start of MODEL    1
  710    HB3  PRO 102           HB3      PRO 102 -11.718  -0.785   8.646
  Start of MODEL    1
  711    HG2  PRO 102           HG2      PRO 102 -13.769   0.761   8.032
  Start of MODEL    1
  712    HG3  PRO 102           HG3      PRO 102 -12.416   0.587   6.896
  Start of MODEL    1
  713    HD2  PRO 102           HD2      PRO 102 -15.141  -0.646   6.801
  Start of MODEL    1
  714    HD3  PRO 102           HD3      PRO 102 -14.145  -0.003   5.477
  Start of MODEL    1
  715    H    GLN 103           H        GLN 103 -14.644  -3.202   8.138
  Start of MODEL    1
  716    HA   GLN 103           HA       GLN 103 -13.320  -5.455   9.448
  Start of MODEL    1
  717    HB3  GLN 103           HB2      GLN 103 -16.271  -4.916   9.596
  Start of MODEL    1
  718    HB2  GLN 103           HB3      GLN 103 -15.148  -3.905  10.494
  Start of MODEL    1
  719    HG2  GLN 103           HG2      GLN 103 -14.233  -6.181  11.377
  Start of MODEL    1
  720    HG3  GLN 103           HG3      GLN 103 -15.689  -5.468  12.069
  Start of MODEL    1
  721   HE21  GLN 103          HE21      GLN 103 -14.350  -8.185  10.557
  Start of MODEL    1
  722   HE22  GLN 103          HE22      GLN 103 -15.810  -9.081  10.334
  Start of MODEL    1
  723    H    GLU 104           H        GLU 104 -15.980  -4.864   7.147
  Start of MODEL    1
  724    HA   GLU 104           HA       GLU 104 -17.056  -6.202   5.664
  Start of MODEL    1
  725    HB2  GLU 104           HB2      GLU 104 -14.602  -5.992   4.852
  Start of MODEL    1
  726    HB3  GLU 104           HB3      GLU 104 -14.472  -7.687   5.299
  Start of MODEL    1
  727    HG3  GLU 104           HG2      GLU 104 -16.435  -6.529   3.327
  Start of MODEL    1
  728    HG2  GLU 104           HG3      GLU 104 -16.309  -8.229   3.777
  Start of MODEL    1
  729    H    SER 105           H        SER 105 -18.444  -7.266   7.114
  Start of MODEL    1
  730    HA   SER 105           HA       SER 105 -17.640  -9.758   8.343
  Start of MODEL    1
  731    HB2  SER 105           HB2      SER 105 -19.987  -9.825   9.164
  Start of MODEL    1
  732    HB3  SER 105           HB3      SER 105 -19.174  -8.310   9.555
  Start of MODEL    1
  733    HG   SER 105           HG       SER 105 -21.287  -7.982   8.722
  Start of MODEL    2
  734    HA3  GLY  -2           HA2      GLY  -2 -11.678  26.594   9.598
  Start of MODEL    2
  735    HA2  GLY  -2           HA3      GLY  -2 -11.256  24.890   9.629
  Start of MODEL    2
  736    H    SER  -1           H        SER  -1  -9.699  24.133   7.986
  Start of MODEL    2
  737    HA   SER  -1           HA       SER  -1 -10.112  25.570   5.450
  Start of MODEL    2
  738    HB3  SER  -1           HB2      SER  -1  -7.810  24.939   4.758
  Start of MODEL    2
  739    HB2  SER  -1           HB3      SER  -1  -7.522  24.299   6.376
  Start of MODEL    2
  740    HG   SER  -1           HG       SER  -1  -6.754  26.449   6.130
  Start of MODEL    2
  741    H    HIS   0           H        HIS   0 -10.663  24.321   3.731
  Start of MODEL    2
  742    HA   HIS   0           HA       HIS   0 -10.956  21.435   4.228
  Start of MODEL    2
  743    HB2  HIS   0           HB2      HIS   0 -12.383  23.293   2.316
  Start of MODEL    2
  744    HB3  HIS   0           HB3      HIS   0 -12.582  21.543   2.300
  Start of MODEL    2
  745    HD1  HIS   0           HD1      HIS   0 -13.832  20.474   4.334
  Start of MODEL    2
  746    HD2  HIS   0           HD2      HIS   0 -13.764  24.629   4.321
  Start of MODEL    2
  747    HE1  HIS   0           HE1      HIS   0 -15.558  21.181   6.022
  Start of MODEL    2
  748    HE2  HIS   0           HE2      HIS   0 -15.438  23.697   6.057
  Start of MODEL    2
  749    H    MET   1           H        MET   1 -10.047  19.931   2.903
  Start of MODEL    2
  750    HA   MET   1           HA       MET   1  -8.292  20.938   0.755
  Start of MODEL    2
  751    HB2  MET   1           HB2      MET   1  -8.028  18.506   2.531
  Start of MODEL    2
  752    HB3  MET   1           HB3      MET   1  -7.010  18.799   1.127
  Start of MODEL    2
  753    HG2  MET   1           HG2      MET   1  -6.210  20.875   2.144
  Start of MODEL    2
  754    HG3  MET   1           HG3      MET   1  -7.220  20.566   3.556
  Start of MODEL    2
  755    HE2  MET   1           HE1      MET   1  -3.628  19.933   4.961
  Start of MODEL    2
  756    HE1  MET   1           HE2      MET   1  -5.147  20.799   5.184
  Start of MODEL    2
  757    HE3  MET   1           HE3      MET   1  -4.122  21.162   3.796
  Start of MODEL    2
  758    H    SER   2           H        SER   2  -8.266  19.909  -1.238
  Start of MODEL    2
  759    HA   SER   2           HA       SER   2 -10.657  18.350  -1.849
  Start of MODEL    2
  760    HB3  SER   2           HB2      SER   2  -8.582  19.434  -3.770
  Start of MODEL    2
  761    HB2  SER   2           HB3      SER   2 -10.000  20.337  -3.239
  Start of MODEL    2
  762    HG   SER   2           HG       SER   2 -10.416  19.292  -5.202
  Start of MODEL    2
  763    H    ALA   3           H        ALA   3 -10.628  16.209  -2.070
  Start of MODEL    2
  764    HA   ALA   3           HA       ALA   3  -8.052  14.870  -2.615
  Start of MODEL    2
  765    HB1  ALA   3           HB1      ALA   3 -10.307  13.858  -0.883
  Start of MODEL    2
  766    HB3  ALA   3           HB2      ALA   3  -8.770  14.503  -0.308
  Start of MODEL    2
  767    HB2  ALA   3           HB3      ALA   3  -8.804  13.003  -1.235
  Start of MODEL    2
  768    H    GLY   4           H        GLY   4 -11.591  14.627  -2.979
  Start of MODEL    2
  769    HA2  GLY   4           HA2      GLY   4 -11.486  12.416  -4.784
  Start of MODEL    2
  770    HA3  GLY   4           HA3      GLY   4 -12.880  13.437  -4.469
  Start of MODEL    2
  771    H    GLU   5           H        GLU   5 -10.051  12.963  -6.458
  Start of MODEL    2
  772    HA   GLU   5           HA       GLU   5  -9.330  13.883  -8.407
  Start of MODEL    2
  773    HB2  GLU   5           HB2      GLU   5 -11.478  12.636  -8.956
  Start of MODEL    2
  774    HB3  GLU   5           HB3      GLU   5 -12.266  14.209  -9.022
  Start of MODEL    2
  775    HG3  GLU   5           HG2      GLU   5  -9.975  13.288 -10.750
  Start of MODEL    2
  776    HG2  GLU   5           HG3      GLU   5 -10.700  14.895 -10.792
  Start of MODEL    2
  777    HA   PRO   6           HA       PRO   6  -9.934  18.307  -7.266
  Start of MODEL    2
  778    HB3  PRO   6           HB2      PRO   6  -8.164  18.695  -5.886
  Start of MODEL    2
  779    HB2  PRO   6           HB3      PRO   6  -7.022  18.463  -7.216
  Start of MODEL    2
  780    HG2  PRO   6           HG2      PRO   6  -6.478  16.587  -5.983
  Start of MODEL    2
  781    HG3  PRO   6           HG3      PRO   6  -8.104  16.462  -5.283
  Start of MODEL    2
  782    HD3  PRO   6           HD2      PRO   6  -8.099  14.737  -6.911
  Start of MODEL    2
  783    HD2  PRO   6           HD3      PRO   6  -7.206  15.747  -8.069
  Start of MODEL    2
  784    H    HIS   7           H        HIS   7  -7.778  20.001  -8.240
  Start of MODEL    2
  785    HA   HIS   7           HA       HIS   7  -8.623  20.486 -10.858
  Start of MODEL    2
  786    HB2  HIS   7           HB2      HIS   7  -6.098  21.318  -9.418
  Start of MODEL    2
  787    HB3  HIS   7           HB3      HIS   7  -6.529  21.905 -11.021
  Start of MODEL    2
  788    HD1  HIS   7           HD1      HIS   7  -8.635  23.471 -11.178
  Start of MODEL    2
  789    HD2  HIS   7           HD2      HIS   7  -7.429  22.528  -7.315
  Start of MODEL    2
  790    HE1  HIS   7           HE1      HIS   7  -9.816  25.113  -9.684
  Start of MODEL    2
  791    HE2  HIS   7           HE2      HIS   7  -9.139  24.467  -7.345
  Start of MODEL    2
  792    H    GLU   8           H        GLU   8  -5.664  18.854  -9.723
  Start of MODEL    2
  793    HA   GLU   8           HA       GLU   8  -4.227  17.401 -10.698
  Start of MODEL    2
  794    HB2  GLU   8           HB2      GLU   8  -6.503  16.903 -12.611
  Start of MODEL    2
  795    HB3  GLU   8           HB3      GLU   8  -5.107  15.861 -12.386
  Start of MODEL    2
  796    HG3  GLU   8           HG2      GLU   8  -7.035  16.505 -10.171
  Start of MODEL    2
  797    HG2  GLU   8           HG3      GLU   8  -5.811  15.235 -10.206
  Start of MODEL    2
  798    H    THR   9           H        THR   9  -3.041  16.847 -12.759
  Start of MODEL    2
  799    HA   THR   9           HA       THR   9  -3.170  18.647 -14.964
  Start of MODEL    2
  800    HB   THR   9           HB       THR   9  -2.108  20.267 -13.636
  Start of MODEL    2
  801    HG1  THR   9           HG1      THR   9  -0.891  20.290 -15.399
  Start of MODEL    2
  802   HG21  THR   9          HG21      THR   9  -1.497  18.708 -11.758
  Start of MODEL    2
  803   HG23  THR   9          HG22      THR   9  -0.323  19.970 -12.132
  Start of MODEL    2
  804   HG22  THR   9          HG23      THR   9  -0.040  18.316 -12.673
  Start of MODEL    2
  805    H    ASP  10           H        ASP  10  -0.981  16.493 -13.149
  Start of MODEL    2
  806    HA   ASP  10           HA       ASP  10  -0.318  15.150 -15.694
  Start of MODEL    2
  807    HB3  ASP  10           HB2      ASP  10   1.843  14.488 -14.507
  Start of MODEL    2
  808    HB2  ASP  10           HB3      ASP  10   1.423  15.682 -13.279
  Start of MODEL    2
  809    H    CYS  11           H        CYS  11  -1.008  13.103 -15.811
  Start of MODEL    2
  810    HA   CYS  11           HA       CYS  11  -1.650  11.706 -13.292
  Start of MODEL    2
  811    HB2  CYS  11           HB2      CYS  11  -3.152  12.123 -15.733
  Start of MODEL    2
  812    HB3  CYS  11           HB3      CYS  11  -2.952  10.401 -15.437
  Start of MODEL    2
  813    H    SER  12           H        SER  12  -1.016  10.666 -16.671
  Start of MODEL    2
  814    HA   SER  12           HA       SER  12   0.022   8.167 -15.990
  Start of MODEL    2
  815    HB2  SER  12           HB2      SER  12   0.489   9.839 -18.458
  Start of MODEL    2
  816    HB3  SER  12           HB3      SER  12   1.018   8.164 -18.285
  Start of MODEL    2
  817    HG   SER  12           HG       SER  12  -1.033   8.355 -19.321
  Start of MODEL    2
  818    H    GLU  13           H        GLU  13   1.664  11.263 -16.311
  Start of MODEL    2
  819    HA   GLU  13           HA       GLU  13   4.297  10.356 -16.423
  Start of MODEL    2
  820    HB2  GLU  13           HB2      GLU  13   3.182  12.782 -16.564
  Start of MODEL    2
  821    HB3  GLU  13           HB3      GLU  13   3.743  12.831 -14.902
  Start of MODEL    2
  822    HG2  GLU  13           HG2      GLU  13   6.003  12.367 -15.615
  Start of MODEL    2
  823    HG3  GLU  13           HG3      GLU  13   5.462  12.243 -17.287
  Start of MODEL    2
  824    H    ILE  14           H        ILE  14   2.312  11.149 -13.612
  Start of MODEL    2
  825    HA   ILE  14           HA       ILE  14   4.276  10.684 -11.632
  Start of MODEL    2
  826    HB   ILE  14           HB       ILE  14   1.268  10.342 -11.475
  Start of MODEL    2
  827   HD11  ILE  14          HD11      ILE  14   3.536  12.182  -9.311
  Start of MODEL    2
  828   HD13  ILE  14          HD12      ILE  14   1.918  12.728  -8.870
  Start of MODEL    2
  829   HD12  ILE  14          HD13      ILE  14   2.995  13.794  -9.768
  Start of MODEL    2
  830    H    LEU  15           H        LEU  15   2.026   8.517 -13.335
  Start of MODEL    2
  831    HA   LEU  15           HA       LEU  15   2.716   6.239 -11.828
  Start of MODEL    2
  832    HB3  LEU  15           HB2      LEU  15   1.506   5.021 -13.390
  Start of MODEL    2
  833    HB2  LEU  15           HB3      LEU  15   2.037   6.012 -14.730
  Start of MODEL    2
  834    HG   LEU  15           HG       LEU  15   0.453   7.728 -14.202
  Start of MODEL    2
  835   HD11  LEU  15          HD11      LEU  15  -0.881   5.038 -13.980
  Start of MODEL    2
  836   HD13  LEU  15          HD12      LEU  15  -0.394   5.836 -15.478
  Start of MODEL    2
  837   HD12  LEU  15          HD13      LEU  15  -1.655   6.546 -14.470
  Start of MODEL    2
  838   HD22  LEU  15          HD21      LEU  15  -0.646   8.048 -12.256
  Start of MODEL    2
  839   HD21  LEU  15          HD22      LEU  15   0.691   7.104 -11.600
  Start of MODEL    2
  840   HD23  LEU  15          HD23      LEU  15  -0.846   6.321 -11.957
  Start of MODEL    2
  841    H    ASP  16           H        ASP  16   3.779   7.473 -15.024
  Start of MODEL    2
  842    HA   ASP  16           HA       ASP  16   5.746   5.787 -15.692
  Start of MODEL    2
  843    HB2  ASP  16           HB2      ASP  16   5.035   7.969 -16.813
  Start of MODEL    2
  844    HB3  ASP  16           HB3      ASP  16   6.223   8.764 -15.788
  Start of MODEL    2
  845    H    HIS  17           H        HIS  17   6.043   8.049 -12.890
  Start of MODEL    2
  846    HA   HIS  17           HA       HIS  17   8.858   7.426 -12.658
  Start of MODEL    2
  847    HB3  HIS  17           HB2      HIS  17   8.978   8.975 -10.968
  Start of MODEL    2
  848    HB2  HIS  17           HB3      HIS  17   7.421   8.517 -10.292
  Start of MODEL    2
  849    HD1  HIS  17           HD1      HIS  17   6.575  10.835  -9.981
  Start of MODEL    2
  850    HD2  HIS  17           HD2      HIS  17   7.661  10.047 -13.904
  Start of MODEL    2
  851    HE1  HIS  17           HE1      HIS  17   5.802  12.823 -11.294
  Start of MODEL    2
  852    HE2  HIS  17           HE2      HIS  17   6.609  12.395 -13.645
  Start of MODEL    2
  853    H    LEU  18           H        LEU  18   5.964   6.970 -10.636
  Start of MODEL    2
  854    HA   LEU  18           HA       LEU  18   6.846   5.263  -8.745
  Start of MODEL    2
  855    HB2  LEU  18           HB2      LEU  18   4.248   5.440 -10.192
  Start of MODEL    2
  856    HB3  LEU  18           HB3      LEU  18   4.496   4.067  -9.132
  Start of MODEL    2
  857    HG   LEU  18           HG       LEU  18   5.086   5.810  -7.329
  Start of MODEL    2
  858   HD11  LEU  18          HD11      LEU  18   3.595   7.564  -9.271
  Start of MODEL    2
  859   HD13  LEU  18          HD12      LEU  18   5.313   7.703  -8.872
  Start of MODEL    2
  860   HD12  LEU  18          HD13      LEU  18   4.087   8.000  -7.635
  Start of MODEL    2
  861   HD23  LEU  18          HD21      LEU  18   2.544   6.296  -7.051
  Start of MODEL    2
  862   HD22  LEU  18          HD22      LEU  18   3.132   4.637  -6.953
  Start of MODEL    2
  863   HD21  LEU  18          HD23      LEU  18   2.371   5.216  -8.435
  Start of MODEL    2
  864    H    TYR  19           H        TYR  19   6.444   4.379 -12.119
  Start of MODEL    2
  865    HA   TYR  19           HA       TYR  19   6.689   1.558 -11.522
  Start of MODEL    2
  866    HB3  TYR  19           HB2      TYR  19   6.835   2.721 -14.293
  Start of MODEL    2
  867    HB2  TYR  19           HB3      TYR  19   5.303   2.639 -13.434
  Start of MODEL    2
  868    HD1  TYR  19           HD1      TYR  19   4.318   0.419 -12.833
  Start of MODEL    2
  869    HD2  TYR  19           HD2      TYR  19   7.863   0.786 -15.180
  Start of MODEL    2
  870    HE1  TYR  19           HE1      TYR  19   4.095  -1.927 -13.545
  Start of MODEL    2
  871    HE2  TYR  19           HE2      TYR  19   7.648  -1.554 -15.890
  Start of MODEL    2
  872    HH   TYR  19           HH       TYR  19   6.197  -3.765 -14.546
  Start of MODEL    2
  873    H    GLU  20           H        GLU  20   8.556   3.601 -13.800
  Start of MODEL    2
  874    HA   GLU  20           HA       GLU  20  10.790   1.865 -13.793
  Start of MODEL    2
  875    HB2  GLU  20           HB2      GLU  20  10.868   4.784 -14.543
  Start of MODEL    2
  876    HB3  GLU  20           HB3      GLU  20  11.893   3.489 -15.148
  Start of MODEL    2
  877    HG3  GLU  20           HG2      GLU  20   8.979   3.942 -15.725
  Start of MODEL    2
  878    HG2  GLU  20           HG3      GLU  20   9.849   2.478 -16.184
  Start of MODEL    2
  879    H    PHE  21           H        PHE  21   9.963   4.629 -11.849
  Start of MODEL    2
  880    HA   PHE  21           HA       PHE  21  12.536   5.146 -10.760
  Start of MODEL    2
  881    HB3  PHE  21           HB2      PHE  21  10.029   5.736  -9.236
  Start of MODEL    2
  882    HB2  PHE  21           HB3      PHE  21  10.273   6.571 -10.755
  Start of MODEL    2
  883    HD1  PHE  21           HD1      PHE  21  10.605   6.850  -7.384
  Start of MODEL    2
  884    HD2  PHE  21           HD2      PHE  21  12.825   7.557 -10.934
  Start of MODEL    2
  885    HE1  PHE  21           HE1      PHE  21  11.976   8.512  -6.184
  Start of MODEL    2
  886    HE2  PHE  21           HE2      PHE  21  14.203   9.220  -9.753
  Start of MODEL    2
  887    HZ   PHE  21           HZ       PHE  21  13.779   9.699  -7.374
  Start of MODEL    2
  888    H    LEU  22           H        LEU  22   9.720   3.486  -9.641
  Start of MODEL    2
  889    HA   LEU  22           HA       LEU  22  10.870   2.589  -7.182
  Start of MODEL    2
  890    HB3  LEU  22           HB2      LEU  22   8.361   1.724  -8.589
  Start of MODEL    2
  891    HB2  LEU  22           HB3      LEU  22   8.494   3.012  -7.407
  Start of MODEL    2
  892    HG   LEU  22           HG       LEU  22   8.887   0.058  -6.876
  Start of MODEL    2
  893   HD11  LEU  22          HD11      LEU  22   6.570   0.594  -7.280
  Start of MODEL    2
  894   HD13  LEU  22          HD12      LEU  22   6.655   1.950  -6.153
  Start of MODEL    2
  895   HD12  LEU  22          HD13      LEU  22   6.814   0.298  -5.557
  Start of MODEL    2
  896   HD22  LEU  22          HD21      LEU  22   8.755   2.250  -4.826
  Start of MODEL    2
  897   HD21  LEU  22          HD22      LEU  22  10.280   1.647  -5.474
  Start of MODEL    2
  898   HD23  LEU  22          HD23      LEU  22   9.203   0.561  -4.598
  Start of MODEL    2
  899    H    ASP  23           H        ASP  23  10.064   0.828 -10.228
  Start of MODEL    2
  900    HA   ASP  23           HA       ASP  23  11.043  -1.631  -9.232
  Start of MODEL    2
  901    HB2  ASP  23           HB2      ASP  23   9.409  -0.968 -11.247
  Start of MODEL    2
  902    HB3  ASP  23           HB3      ASP  23  10.895  -1.222 -12.161
  Start of MODEL    2
  903    H    LYS  24           H        LYS  24  12.578   0.684 -11.535
  Start of MODEL    2
  904    HA   LYS  24           HA       LYS  24  14.950  -1.028 -11.364
  Start of MODEL    2
  905    HB3  LYS  24           HB2      LYS  24  14.714  -1.089 -13.557
  Start of MODEL    2
  906    HB2  LYS  24           HB3      LYS  24  15.482   0.480 -13.546
  Start of MODEL    2
  907    HG3  LYS  24           HG2      LYS  24  13.713   1.031 -14.819
  Start of MODEL    2
  908    HG2  LYS  24           HG3      LYS  24  12.913   1.218 -13.264
  Start of MODEL    2
  909    HD2  LYS  24           HD2      LYS  24  12.248  -1.234 -13.485
  Start of MODEL    2
  910    HD3  LYS  24           HD3      LYS  24  11.433  -0.085 -14.549
  Start of MODEL    2
  911    HE3  LYS  24           HE2      LYS  24  13.710  -1.932 -15.250
  Start of MODEL    2
  912    HE2  LYS  24           HE3      LYS  24  13.105  -0.666 -16.318
  Start of MODEL    2
  913    HZ1  LYS  24           HZ1      LYS  24  10.938  -1.740 -16.305
  Start of MODEL    2
  914    HZ3  LYS  24           HZ2      LYS  24  11.521  -2.957 -15.284
  Start of MODEL    2
  915    HZ2  LYS  24           HZ3      LYS  24  12.132  -2.806 -16.853
  Start of MODEL    2
  916    H    GLU  25           H        GLU  25  14.018   2.372 -11.197
  Start of MODEL    2
  917    HA   GLU  25           HA       GLU  25  16.562   3.489 -11.215
  Start of MODEL    2
  918    HB2  GLU  25           HB2      GLU  25  14.228   4.628 -11.123
  Start of MODEL    2
  919    HB3  GLU  25           HB3      GLU  25  14.462   4.594  -9.383
  Start of MODEL    2
  920    HG2  GLU  25           HG2      GLU  25  15.283   6.658  -9.887
  Start of MODEL    2
  921    HG3  GLU  25           HG3      GLU  25  16.755   5.695  -9.963
  Start of MODEL    2
  922    H    MET  26           H        MET  26  14.696   2.726  -8.242
  Start of MODEL    2
  923    HA   MET  26           HA       MET  26  16.756   1.414  -6.899
  Start of MODEL    2
  924    HB2  MET  26           HB2      MET  26  17.007   4.319  -6.863
  Start of MODEL    2
  925    HB3  MET  26           HB3      MET  26  16.876   3.656  -5.241
  Start of MODEL    2
  926    HG3  MET  26           HG2      MET  26  18.766   2.312  -7.076
  Start of MODEL    2
  927    HG2  MET  26           HG3      MET  26  18.879   2.608  -5.344
  Start of MODEL    2
  928    HE1  MET  26           HE1      MET  26  21.341   2.892  -7.362
  Start of MODEL    2
  929    HE3  MET  26           HE2      MET  26  21.465   3.184  -5.627
  Start of MODEL    2
  930    HE2  MET  26           HE3      MET  26  22.078   4.380  -6.767
  Start of MODEL    2
  931    HA   PRO  27           HA       PRO  27  12.485   0.765  -5.241
  Start of MODEL    2
  932    HB2  PRO  27           HB2      PRO  27  14.198  -1.328  -3.944
  Start of MODEL    2
  933    HB3  PRO  27           HB3      PRO  27  12.551  -1.457  -4.580
  Start of MODEL    2
  934    HG2  PRO  27           HG2      PRO  27  14.622  -2.359  -5.986
  Start of MODEL    2
  935    HG3  PRO  27           HG3      PRO  27  13.273  -1.533  -6.786
  Start of MODEL    2
  936    HD3  PRO  27           HD2      PRO  27  14.913  -0.129  -7.554
  Start of MODEL    2
  937    HD2  PRO  27           HD3      PRO  27  16.030  -0.570  -6.246
  Start of MODEL    2
  938    H    ASP  28           H        ASP  28  15.364   0.312  -3.128
  Start of MODEL    2
  939    HA   ASP  28           HA       ASP  28  13.889   1.466  -0.897
  Start of MODEL    2
  940    HB3  ASP  28           HB2      ASP  28  15.188  -0.529  -0.438
  Start of MODEL    2
  941    HB2  ASP  28           HB3      ASP  28  15.869   0.827   0.454
  Start of MODEL    2
  942    H    SER  29           H        SER  29  16.587   2.350  -2.990
  Start of MODEL    2
  943    HA   SER  29           HA       SER  29  17.165   4.712  -1.406
  Start of MODEL    2
  944    HB2  SER  29           HB2      SER  29  18.607   3.146  -3.277
  Start of MODEL    2
  945    HB3  SER  29           HB3      SER  29  18.491   4.777  -3.939
  Start of MODEL    2
  946    HG   SER  29           HG       SER  29  20.309   4.494  -2.555
  Start of MODEL    2
  947    H    ASP  30           H        ASP  30  14.547   4.782  -2.216
  Start of MODEL    2
  948    HA   ASP  30           HA       ASP  30  14.569   7.124  -3.958
  Start of MODEL    2
  949    HB3  ASP  30           HB2      ASP  30  12.331   6.052  -4.939
  Start of MODEL    2
  950    HB2  ASP  30           HB3      ASP  30  13.183   4.560  -4.558
  Start of MODEL    2
  951    H    ALA  31           H        ALA  31  13.314   5.538  -1.171
  Start of MODEL    2
  952    HA   ALA  31           HA       ALA  31  10.781   6.661  -0.950
  Start of MODEL    2
  953    HB1  ALA  31           HB1      ALA  31  12.333   5.102   0.640
  Start of MODEL    2
  954    HB3  ALA  31           HB2      ALA  31  10.775   5.788   1.095
  Start of MODEL    2
  955    HB2  ALA  31           HB3      ALA  31  12.267   6.603   1.564
  Start of MODEL    2
  956    H    VAL  32           H        VAL  32  13.927   8.102  -0.093
  Start of MODEL    2
  957    HA   VAL  32           HA       VAL  32  12.803  10.494   0.963
  Start of MODEL    2
  958    HB   VAL  32           HB       VAL  32  15.585  10.115  -0.099
  Start of MODEL    2
  959    H    LYS  33           H        LYS  33  13.641   9.416  -2.236
  Start of MODEL    2
  960    HA   LYS  33           HA       LYS  33  13.383  12.082  -3.371
  Start of MODEL    2
  961    HB2  LYS  33           HB2      LYS  33  13.696   9.444  -4.819
  Start of MODEL    2
  962    HB3  LYS  33           HB3      LYS  33  13.939  11.052  -5.485
  Start of MODEL    2
  963    HG3  LYS  33           HG2      LYS  33  16.032   9.794  -4.986
  Start of MODEL    2
  964    HG2  LYS  33           HG3      LYS  33  15.616   9.882  -3.273
  Start of MODEL    2
  965    HD2  LYS  33           HD2      LYS  33  15.982  12.272  -5.083
  Start of MODEL    2
  966    HD3  LYS  33           HD3      LYS  33  15.690  12.303  -3.343
  Start of MODEL    2
  967    HE2  LYS  33           HE2      LYS  33  17.816  11.152  -2.965
  Start of MODEL    2
  968    HE3  LYS  33           HE3      LYS  33  18.109  11.118  -4.703
  Start of MODEL    2
  969    HZ2  LYS  33           HZ1      LYS  33  19.298  12.928  -3.638
  Start of MODEL    2
  970    HZ1  LYS  33           HZ2      LYS  33  17.850  13.570  -3.046
  Start of MODEL    2
  971    HZ3  LYS  33           HZ3      LYS  33  18.138  13.533  -4.713
  Start of MODEL    2
  972    H    PHE  34           H        PHE  34  11.471   9.397  -2.563
  Start of MODEL    2
  973    HA   PHE  34           HA       PHE  34   9.428   9.611  -4.519
  Start of MODEL    2
  974    HB3  PHE  34           HB2      PHE  34   8.154   8.422  -2.448
  Start of MODEL    2
  975    HB2  PHE  34           HB3      PHE  34   9.818   8.167  -1.946
  Start of MODEL    2
  976    HD1  PHE  34           HD1      PHE  34   9.523   5.772  -2.056
  Start of MODEL    2
  977    HD2  PHE  34           HD2      PHE  34   8.981   8.196  -5.514
  Start of MODEL    2
  978    HE1  PHE  34           HE1      PHE  34   9.582   3.770  -3.470
  Start of MODEL    2
  979    HE2  PHE  34           HE2      PHE  34   9.031   6.198  -6.926
  Start of MODEL    2
  980    HZ   PHE  34           HZ       PHE  34   9.344   3.981  -5.910
  Start of MODEL    2
  981    H    GLU  35           H        GLU  35  10.253  11.766  -2.057
  Start of MODEL    2
  982    HA   GLU  35           HA       GLU  35   7.451  12.545  -1.609
  Start of MODEL    2
  983    HB2  GLU  35           HB2      GLU  35   9.765  12.539   0.039
  Start of MODEL    2
  984    HB3  GLU  35           HB3      GLU  35   9.315  14.221  -0.192
  Start of MODEL    2
  985    HG3  GLU  35           HG2      GLU  35   8.331  13.019   1.810
  Start of MODEL    2
  986    HG2  GLU  35           HG3      GLU  35   7.334  12.131   0.659
  Start of MODEL    2
  987    H    HIS  36           H        HIS  36   9.501  13.146  -3.992
  Start of MODEL    2
  988    HA   HIS  36           HA       HIS  36   8.939  16.043  -4.136
  Start of MODEL    2
  989    HB3  HIS  36           HB2      HIS  36  10.813  16.298  -5.574
  Start of MODEL    2
  990    HB2  HIS  36           HB3      HIS  36  10.927  14.564  -5.860
  Start of MODEL    2
  991    HD1  HIS  36           HD1      HIS  36  11.257  16.867  -2.834
  Start of MODEL    2
  992    HD2  HIS  36           HD2      HIS  36  12.890  13.436  -4.508
  Start of MODEL    2
  993    HE1  HIS  36           HE1      HIS  36  13.146  16.214  -1.305
  Start of MODEL    2
  994    HE2  HIS  36           HE2      HIS  36  14.062  14.080  -2.286
  Start of MODEL    2
  995    H    HIS  37           H        HIS  37   9.150  13.131  -6.159
  Start of MODEL    2
  996    HA   HIS  37           HA       HIS  37   7.692  14.266  -8.348
  Start of MODEL    2
  997    HB2  HIS  37           HB2      HIS  37   8.008  11.308  -7.959
  Start of MODEL    2
  998    HB3  HIS  37           HB3      HIS  37   8.048  12.248  -9.452
  Start of MODEL    2
  999    HD1  HIS  37           HD1      HIS  37  10.275  13.491  -9.954
  Start of MODEL    2
 1000    HD2  HIS  37           HD2      HIS  37  10.343  10.986  -6.652
  Start of MODEL    2
 1001    HE1  HIS  37           HE1      HIS  37  12.674  13.227  -9.375
  Start of MODEL    2
 1002    HE2  HIS  37           HE2      HIS  37  12.720  11.799  -7.304
  Start of MODEL    2
 1003    H    PHE  38           H        PHE  38   6.910  12.640  -5.437
  Start of MODEL    2
 1004    HA   PHE  38           HA       PHE  38   4.310  11.713  -6.256
  Start of MODEL    2
 1005    HB2  PHE  38           HB2      PHE  38   5.860  11.702  -3.674
  Start of MODEL    2
 1006    HB3  PHE  38           HB3      PHE  38   4.196  11.146  -3.743
  Start of MODEL    2
 1007    HD1  PHE  38           HD1      PHE  38   6.038  10.484  -6.771
  Start of MODEL    2
 1008    HD2  PHE  38           HD2      PHE  38   5.283   8.964  -2.827
  Start of MODEL    2
 1009    HE1  PHE  38           HE1      PHE  38   6.735   8.248  -7.491
  Start of MODEL    2
 1010    HE2  PHE  38           HE2      PHE  38   6.012   6.749  -3.556
  Start of MODEL    2
 1011    HZ   PHE  38           HZ       PHE  38   6.717   6.380  -5.887
  Start of MODEL    2
 1012    H    GLU  39           H        GLU  39   5.626  14.586  -4.825
  Start of MODEL    2
 1013    HA   GLU  39           HA       GLU  39   3.049  15.473  -3.798
  Start of MODEL    2
 1014    HB2  GLU  39           HB2      GLU  39   5.344  15.849  -2.679
  Start of MODEL    2
 1015    HB3  GLU  39           HB3      GLU  39   5.557  17.130  -3.864
  Start of MODEL    2
 1016    HG3  GLU  39           HG2      GLU  39   3.310  16.944  -1.866
  Start of MODEL    2
 1017    HG2  GLU  39           HG3      GLU  39   3.546  18.237  -3.041
  Start of MODEL    2
 1018    H    GLU  40           H        GLU  40   5.136  16.097  -6.570
  Start of MODEL    2
 1019    HA   GLU  40           HA       GLU  40   4.191  18.565  -7.381
  Start of MODEL    2
 1020    HB2  GLU  40           HB2      GLU  40   4.876  17.947  -9.669
  Start of MODEL    2
 1021    HB3  GLU  40           HB3      GLU  40   6.093  17.574  -8.467
  Start of MODEL    2
 1022    HG3  GLU  40           HG2      GLU  40   4.228  15.636  -9.807
  Start of MODEL    2
 1023    HG2  GLU  40           HG3      GLU  40   5.367  15.235  -8.532
  Start of MODEL    2
 1024    H    SER  41           H        SER  41   2.806  15.388  -8.335
  Start of MODEL    2
 1025    HA   SER  41           HA       SER  41   0.332  16.846  -9.000
  Start of MODEL    2
 1026    HB2  SER  41           HB2      SER  41   0.480  14.403 -10.508
  Start of MODEL    2
 1027    HB3  SER  41           HB3      SER  41   0.289  16.058 -11.085
  Start of MODEL    2
 1028    HG   SER  41           HG       SER  41   2.443  16.258 -11.310
  Start of MODEL    2
 1029    H    SER  42           H        SER  42   0.227  16.173  -6.585
  Start of MODEL    2
 1030    HA   SER  42           HA       SER  42  -0.364  13.482  -5.963
  Start of MODEL    2
 1031    HB3  SER  42           HB2      SER  42   0.226  14.717  -4.093
  Start of MODEL    2
 1032    HB2  SER  42           HB3      SER  42  -1.525  14.622  -3.915
  Start of MODEL    2
 1033    HG   SER  42           HG       SER  42  -0.705  16.752  -3.612
  Start of MODEL    2
 1034    HA   PRO  43           HA       PRO  43  -5.001  15.236  -6.454
  Start of MODEL    2
 1035    HB3  PRO  43           HB2      PRO  43  -5.567  17.071  -7.707
  Start of MODEL    2
 1036    HB2  PRO  43           HB3      PRO  43  -4.460  16.647  -9.016
  Start of MODEL    2
 1037    HG2  PRO  43           HG2      PRO  43  -3.310  18.400  -7.982
  Start of MODEL    2
 1038    HG3  PRO  43           HG3      PRO  43  -3.853  17.907  -6.365
  Start of MODEL    2
 1039    HD3  PRO  43           HD2      PRO  43  -1.713  17.002  -6.387
  Start of MODEL    2
 1040    HD2  PRO  43           HD3      PRO  43  -1.776  16.656  -8.127
  Start of MODEL    2
 1041    H    CYS  44           H        CYS  44  -2.860  13.857  -8.887
  Start of MODEL    2
 1042    HA   CYS  44           HA       CYS  44  -5.168  12.724 -10.319
  Start of MODEL    2
 1043    HB3  CYS  44           HB2      CYS  44  -2.796  11.699 -11.449
  Start of MODEL    2
 1044    HB2  CYS  44           HB3      CYS  44  -2.435  13.378 -11.080
  Start of MODEL    2
 1045    H    LEU  45           H        LEU  45  -2.255  11.714  -8.628
  Start of MODEL    2
 1046    HA   LEU  45           HA       LEU  45  -3.027   8.942  -8.747
  Start of MODEL    2
 1047    HB3  LEU  45           HB2      LEU  45  -0.629  10.183  -8.417
  Start of MODEL    2
 1048    HB2  LEU  45           HB3      LEU  45  -0.937   8.500  -8.061
  Start of MODEL    2
 1049    HG   LEU  45           HG       LEU  45  -1.273   9.076  -5.684
  Start of MODEL    2
 1050   HD12  LEU  45          HD11      LEU  45   1.058   9.489  -5.167
  Start of MODEL    2
 1051   HD11  LEU  45          HD12      LEU  45   1.342  10.067  -6.808
  Start of MODEL    2
 1052   HD13  LEU  45          HD13      LEU  45   0.930   8.376  -6.529
  Start of MODEL    2
 1053   HD22  LEU  45          HD21      LEU  45  -1.904  11.185  -5.323
  Start of MODEL    2
 1054   HD21  LEU  45          HD22      LEU  45  -1.062  11.798  -6.746
  Start of MODEL    2
 1055   HD23  LEU  45          HD23      LEU  45  -0.170  11.489  -5.257
  Start of MODEL    2
 1056    H    GLU  46           H        GLU  46  -3.988  11.643  -6.986
  Start of MODEL    2
 1057    HA   GLU  46           HA       GLU  46  -4.328  10.647  -4.426
  Start of MODEL    2
 1058    HB2  GLU  46           HB2      GLU  46  -4.933  13.022  -5.691
  Start of MODEL    2
 1059    HB3  GLU  46           HB3      GLU  46  -6.514  12.407  -5.237
  Start of MODEL    2
 1060    HG3  GLU  46           HG2      GLU  46  -4.391  12.296  -3.186
  Start of MODEL    2
 1061    HG2  GLU  46           HG3      GLU  46  -6.123  12.593  -3.025
  Start of MODEL    2
 1062    H    LYS  47           H        LYS  47  -7.020  10.747  -6.967
  Start of MODEL    2
 1063    HA   LYS  47           HA       LYS  47  -8.874   9.480  -5.477
  Start of MODEL    2
 1064    HB2  LYS  47           HB2      LYS  47  -8.463   8.872  -8.397
  Start of MODEL    2
 1065    HB3  LYS  47           HB3      LYS  47  -9.974   8.869  -7.503
  Start of MODEL    2
 1066    HG2  LYS  47           HG2      LYS  47 -10.320  10.951  -8.157
  Start of MODEL    2
 1067    HG3  LYS  47           HG3      LYS  47  -8.916  11.455  -7.216
  Start of MODEL    2
 1068    HD2  LYS  47           HD2      LYS  47  -8.481  12.237  -9.383
  Start of MODEL    2
 1069    HD3  LYS  47           HD3      LYS  47  -7.523  10.764  -9.247
  Start of MODEL    2
 1070    HE2  LYS  47           HE2      LYS  47  -9.262   9.520 -10.437
  Start of MODEL    2
 1071    HE3  LYS  47           HE3      LYS  47 -10.230  10.988 -10.562
  Start of MODEL    2
 1072    HZ2  LYS  47           HZ1      LYS  47  -9.028  10.566 -12.603
  Start of MODEL    2
 1073    HZ1  LYS  47           HZ2      LYS  47  -7.552  10.567 -11.777
  Start of MODEL    2
 1074    HZ3  LYS  47           HZ3      LYS  47  -8.461  11.990 -11.883
  Start of MODEL    2
 1075    H    TYR  48           H        TYR  48  -6.742   7.767  -7.718
  Start of MODEL    2
 1076    HA   TYR  48           HA       TYR  48  -7.561   5.205  -7.227
  Start of MODEL    2
 1077    HB3  TYR  48           HB2      TYR  48  -5.429   4.457  -8.111
  Start of MODEL    2
 1078    HB2  TYR  48           HB3      TYR  48  -4.703   6.029  -7.771
  Start of MODEL    2
 1079    HD1  TYR  48           HD1      TYR  48  -5.354   8.014  -9.107
  Start of MODEL    2
 1080    HD2  TYR  48           HD2      TYR  48  -6.798   4.125 -10.065
  Start of MODEL    2
 1081    HE1  TYR  48           HE1      TYR  48  -6.014   8.812 -11.338
  Start of MODEL    2
 1082    HE2  TYR  48           HE2      TYR  48  -7.466   4.916 -12.295
  Start of MODEL    2
 1083    HH   TYR  48           HH       TYR  48  -8.056   7.686 -13.166
  Start of MODEL    2
 1084    H    GLY  49           H        GLY  49  -6.031   7.275  -5.013
  Start of MODEL    2
 1085    HA3  GLY  49           HA2      GLY  49  -6.012   5.198  -3.016
  Start of MODEL    2
 1086    HA2  GLY  49           HA3      GLY  49  -5.672   6.907  -2.774
  Start of MODEL    2
 1087    H    LEU  50           H        LEU  50  -3.767   6.867  -5.017
  Start of MODEL    2
 1088    HA   LEU  50           HA       LEU  50  -1.654   5.100  -4.254
  Start of MODEL    2
 1089    HB2  LEU  50           HB2      LEU  50  -2.172   6.932  -6.395
  Start of MODEL    2
 1090    HB3  LEU  50           HB3      LEU  50  -0.596   7.272  -5.718
  Start of MODEL    2
 1091    HG   LEU  50           HG       LEU  50   0.243   5.143  -6.276
  Start of MODEL    2
 1092   HD12  LEU  50          HD11      LEU  50  -0.238   4.982  -8.700
  Start of MODEL    2
 1093   HD11  LEU  50          HD12      LEU  50   0.119   6.622  -8.151
  Start of MODEL    2
 1094   HD13  LEU  50          HD13      LEU  50  -1.553   6.146  -8.476
  Start of MODEL    2
 1095   HD23  LEU  50          HD21      LEU  50  -1.467   3.653  -5.586
  Start of MODEL    2
 1096   HD22  LEU  50          HD22      LEU  50  -1.245   3.381  -7.313
  Start of MODEL    2
 1097   HD21  LEU  50          HD23      LEU  50  -2.620   4.327  -6.738
  Start of MODEL    2
 1098    H    GLU  51           H        GLU  51  -2.383   8.566  -3.654
  Start of MODEL    2
 1099    HA   GLU  51           HA       GLU  51  -0.026   9.305  -2.378
  Start of MODEL    2
 1100    HB3  GLU  51           HB2      GLU  51  -1.766  10.593  -0.798
  Start of MODEL    2
 1101    HB2  GLU  51           HB3      GLU  51  -2.888  10.096  -2.056
  Start of MODEL    2
 1102    HG3  GLU  51           HG2      GLU  51  -2.201  11.701  -3.407
  Start of MODEL    2
 1103    HG2  GLU  51           HG3      GLU  51  -0.515  11.230  -3.216
  Start of MODEL    2
 1104    H    GLN  52           H        GLN  52  -2.913   8.072  -0.841
  Start of MODEL    2
 1105    HA   GLN  52           HA       GLN  52  -2.001   7.604   1.723
  Start of MODEL    2
 1106    HB2  GLN  52           HB2      GLN  52  -3.824   5.559   0.520
  Start of MODEL    2
 1107    HB3  GLN  52           HB3      GLN  52  -3.896   6.317   2.103
  Start of MODEL    2
 1108    HG3  GLN  52           HG2      GLN  52  -5.223   7.026  -0.350
  Start of MODEL    2
 1109    HG2  GLN  52           HG3      GLN  52  -4.302   8.386   0.282
  Start of MODEL    2
 1110   HE22  GLN  52          HE21      GLN  52  -7.609   7.024   2.224
  Start of MODEL    2
 1111   HE21  GLN  52          HE22      GLN  52  -6.879   6.115   0.948
  Start of MODEL    2
 1112    H    ALA  53           H        ALA  53  -1.503   5.682  -1.159
  Start of MODEL    2
 1113    HA   ALA  53           HA       ALA  53  -0.278   3.515   0.329
  Start of MODEL    2
 1114    HB2  ALA  53           HB1      ALA  53  -0.368   3.842  -2.661
  Start of MODEL    2
 1115    HB1  ALA  53           HB2      ALA  53  -1.634   3.072  -1.703
  Start of MODEL    2
 1116    HB3  ALA  53           HB3      ALA  53  -0.013   2.372  -1.749
  Start of MODEL    2
 1117    H    VAL  54           H        VAL  54   0.862   5.841  -2.171
  Start of MODEL    2
 1118    HA   VAL  54           HA       VAL  54   3.549   5.120  -2.027
  Start of MODEL    2
 1119    HB   VAL  54           HB       VAL  54   4.025   7.393  -2.972
  Start of MODEL    2
 1120    H    LYS  55           H        LYS  55   1.725   7.434  -0.061
  Start of MODEL    2
 1121    HA   LYS  55           HA       LYS  55   3.842   8.720   1.236
  Start of MODEL    2
 1122    HB2  LYS  55           HB2      LYS  55   1.246   7.771   2.478
  Start of MODEL    2
 1123    HB3  LYS  55           HB3      LYS  55   2.306   9.001   3.149
  Start of MODEL    2
 1124    HG2  LYS  55           HG2      LYS  55   1.384   9.506   0.404
  Start of MODEL    2
 1125    HG3  LYS  55           HG3      LYS  55   0.117   9.496   1.637
  Start of MODEL    2
 1126    HD2  LYS  55           HD2      LYS  55   1.773  11.053   2.933
  Start of MODEL    2
 1127    HD3  LYS  55           HD3      LYS  55   2.507  11.292   1.344
  Start of MODEL    2
 1128    HE2  LYS  55           HE2      LYS  55   0.332  12.026   0.467
  Start of MODEL    2
 1129    HE3  LYS  55           HE3      LYS  55  -0.379  11.811   2.066
  Start of MODEL    2
 1130    HZ1  LYS  55           HZ1      LYS  55   1.803  13.709   1.381
  Start of MODEL    2
 1131    HZ3  LYS  55           HZ2      LYS  55   1.129  13.500   2.920
  Start of MODEL    2
 1132    HZ2  LYS  55           HZ3      LYS  55   0.186  14.119   1.660
  Start of MODEL    2
 1133    H    LYS  56           H        LYS  56   2.378   5.645   1.690
  Start of MODEL    2
 1134    HA   LYS  56           HA       LYS  56   3.799   4.824   3.993
  Start of MODEL    2
 1135    HB3  LYS  56           HB2      LYS  56   3.146   2.440   3.095
  Start of MODEL    2
 1136    HB2  LYS  56           HB3      LYS  56   2.127   3.381   2.023
  Start of MODEL    2
 1137    HG2  LYS  56           HG2      LYS  56   0.889   2.689   3.989
  Start of MODEL    2
 1138    HG3  LYS  56           HG3      LYS  56   2.079   3.474   5.029
  Start of MODEL    2
 1139    HD2  LYS  56           HD2      LYS  56   1.043   5.259   2.994
  Start of MODEL    2
 1140    HD3  LYS  56           HD3      LYS  56  -0.238   4.617   4.019
  Start of MODEL    2
 1141    HE2  LYS  56           HE2      LYS  56   2.247   5.706   5.269
  Start of MODEL    2
 1142    HE3  LYS  56           HE3      LYS  56   1.028   6.826   4.648
  Start of MODEL    2
 1143    HZ2  LYS  56           HZ1      LYS  56   0.684   6.339   6.992
  Start of MODEL    2
 1144    HZ1  LYS  56           HZ2      LYS  56   0.547   4.687   6.660
  Start of MODEL    2
 1145    HZ3  LYS  56           HZ3      LYS  56  -0.614   5.766   6.071
  Start of MODEL    2
 1146    H    LEU  57           H        LEU  57   4.473   4.596   0.525
  Start of MODEL    2
 1147    HA   LEU  57           HA       LEU  57   6.693   2.855   0.717
  Start of MODEL    2
 1148    HB2  LEU  57           HB2      LEU  57   6.131   4.960  -1.364
  Start of MODEL    2
 1149    HB3  LEU  57           HB3      LEU  57   7.267   3.630  -1.513
  Start of MODEL    2
 1150    HG   LEU  57           HG       LEU  57   4.302   3.590  -1.686
  Start of MODEL    2
 1151   HD12  LEU  57          HD11      LEU  57   6.139   1.834  -3.223
  Start of MODEL    2
 1152   HD11  LEU  57          HD12      LEU  57   6.154   3.568  -3.577
  Start of MODEL    2
 1153   HD13  LEU  57          HD13      LEU  57   4.657   2.647  -3.733
  Start of MODEL    2
 1154   HD22  LEU  57          HD21      LEU  57   4.603   1.974   0.025
  Start of MODEL    2
 1155   HD21  LEU  57          HD22      LEU  57   5.996   1.273  -0.798
  Start of MODEL    2
 1156   HD23  LEU  57          HD23      LEU  57   4.384   1.103  -1.490
  Start of MODEL    2
 1157    H    VAL  58           H        VAL  58   6.292   6.348   0.724
  Start of MODEL    2
 1158    HA   VAL  58           HA       VAL  58   8.982   7.121   0.659
  Start of MODEL    2
 1159    HB   VAL  58           HB       VAL  58   6.953   8.536   2.390
  Start of MODEL    2
 1160    H    LYS  59           H        LYS  59   6.932   6.172   3.324
  Start of MODEL    2
 1161    HA   LYS  59           HA       LYS  59   8.598   6.681   5.474
  Start of MODEL    2
 1162    HB3  LYS  59           HB2      LYS  59   6.298   4.838   4.956
  Start of MODEL    2
 1163    HB2  LYS  59           HB3      LYS  59   6.357   6.277   5.950
  Start of MODEL    2
 1164    HG3  LYS  59           HG2      LYS  59   6.376   4.793   7.642
  Start of MODEL    2
 1165    HG2  LYS  59           HG3      LYS  59   8.098   4.681   7.274
  Start of MODEL    2
 1166    HD2  LYS  59           HD2      LYS  59   7.386   2.850   5.596
  Start of MODEL    2
 1167    HD3  LYS  59           HD3      LYS  59   7.457   2.456   7.315
  Start of MODEL    2
 1168    HE3  LYS  59           HE2      LYS  59   5.440   1.535   6.412
  Start of MODEL    2
 1169    HE2  LYS  59           HE3      LYS  59   5.006   3.078   5.673
  Start of MODEL    2
 1170    HZ1  LYS  59           HZ1      LYS  59   5.360   2.892   8.594
  Start of MODEL    2
 1171    HZ3  LYS  59           HZ2      LYS  59   3.914   2.373   7.888
  Start of MODEL    2
 1172    HZ2  LYS  59           HZ3      LYS  59   4.418   3.976   7.698
  Start of MODEL    2
 1173    H    ARG  60           H        ARG  60   8.502   4.000   3.245
  Start of MODEL    2
 1174    HA   ARG  60           HA       ARG  60   9.807   1.999   4.596
  Start of MODEL    2
 1175    HB2  ARG  60           HB2      ARG  60  10.279   2.645   1.709
  Start of MODEL    2
 1176    HB3  ARG  60           HB3      ARG  60  10.477   1.085   2.474
  Start of MODEL    2
 1177    HG3  ARG  60           HG2      ARG  60   8.343   1.680   1.048
  Start of MODEL    2
 1178    HG2  ARG  60           HG3      ARG  60   7.797   2.372   2.574
  Start of MODEL    2
 1179    HD2  ARG  60           HD2      ARG  60   7.890  -0.367   1.746
  Start of MODEL    2
 1180    HD3  ARG  60           HD3      ARG  60   8.877  -0.148   3.191
  Start of MODEL    2
 1181    HE   ARG  60           HE       ARG  60   6.216   1.014   3.272
  Start of MODEL    2
 1182   HH12  ARG  60          HH11      ARG  60   7.133  -2.312   5.324
  Start of MODEL    2
 1183   HH11  ARG  60          HH12      ARG  60   8.240  -1.720   4.132
  Start of MODEL    2
 1184   HH22  ARG  60          HH21      ARG  60   5.174  -1.211   5.730
  Start of MODEL    2
 1185   HH21  ARG  60          HH22      ARG  60   4.777   0.223   4.844
  Start of MODEL    2
 1186    H    ALA  61           H        ALA  61  11.528   4.142   2.301
  Start of MODEL    2
 1187    HA   ALA  61           HA       ALA  61  13.676   4.891   2.241
  Start of MODEL    2
 1188    HB1  ALA  61           HB1      ALA  61  12.927   5.985   4.358
  Start of MODEL    2
 1189    HB3  ALA  61           HB2      ALA  61  14.663   5.694   4.264
  Start of MODEL    2
 1190    HB2  ALA  61           HB3      ALA  61  13.644   4.640   5.245
  Start of MODEL    2
 1191    H    ALA  62           H        ALA  62  15.954   4.297   2.552
  Start of MODEL    2
 1192    HA   ALA  62           HA       ALA  62  16.259   1.425   2.521
  Start of MODEL    2
 1193    HB1  ALA  62           HB1      ALA  62  18.300   3.588   2.029
  Start of MODEL    2
 1194    HB3  ALA  62           HB2      ALA  62  17.335   2.780   0.795
  Start of MODEL    2
 1195    HB2  ALA  62           HB3      ALA  62  18.520   1.864   1.726
  Start of MODEL    2
 1196    H    GLY  63           H        GLY  63  16.280   0.527   4.531
  Start of MODEL    2
 1197    HA2  GLY  63           HA2      GLY  63  18.351   0.213   6.132
  Start of MODEL    2
 1198    HA3  GLY  63           HA3      GLY  63  17.838   1.814   6.655
  Start of MODEL    2
 1199    H    GLN  64           H        GLN  64  15.031   1.446   6.516
  Start of MODEL    2
 1200    HA   GLN  64           HA       GLN  64  14.685  -0.234   8.875
  Start of MODEL    2
 1201    HB2  GLN  64           HB2      GLN  64  12.843   1.820   7.643
  Start of MODEL    2
 1202    HB3  GLN  64           HB3      GLN  64  12.516   0.940   9.129
  Start of MODEL    2
 1203    HG2  GLN  64           HG2      GLN  64  14.969   2.632   8.806
  Start of MODEL    2
 1204    HG3  GLN  64           HG3      GLN  64  13.425   3.313   9.315
  Start of MODEL    2
 1205   HE22  GLN  64          HE21      GLN  64  13.517   1.952  12.549
  Start of MODEL    2
 1206   HE21  GLN  64          HE22      GLN  64  12.520   2.629  11.310
  Start of MODEL    2
 1207    H    ASP  65           H        ASP  65  11.703   0.198   7.376
  Start of MODEL    2
 1208    HA   ASP  65           HA       ASP  65  11.566  -2.628   6.749
  Start of MODEL    2
 1209    HB3  ASP  65           HB2      ASP  65   9.140  -2.140   6.356
  Start of MODEL    2
 1210    HB2  ASP  65           HB3      ASP  65   9.465  -0.445   6.714
  Start of MODEL    2
 1211    H    ASP  66           H        ASP  66  13.190  -0.843   5.048
  Start of MODEL    2
 1212    HA   ASP  66           HA       ASP  66  12.397   0.091   2.770
  Start of MODEL    2
 1213    HB3  ASP  66           HB2      ASP  66  14.745  -0.206   3.225
  Start of MODEL    2
 1214    HB2  ASP  66           HB3      ASP  66  14.354  -0.858   1.637
  Start of MODEL    2
 1215    H    VAL  67           H        VAL  67  11.513  -0.375   0.998
  Start of MODEL    2
 1216    HA   VAL  67           HA       VAL  67   9.640  -1.593   0.046
  Start of MODEL    2
 1217    HB   VAL  67           HB       VAL  67  10.953  -2.822  -1.885
  Start of MODEL    2
 1218    HA   PRO  68           HA       PRO  68   9.726  -5.681   2.039
  Start of MODEL    2
 1219    HB3  PRO  68           HB2      PRO  68   8.076  -4.966   3.447
  Start of MODEL    2
 1220    HB2  PRO  68           HB3      PRO  68   7.057  -5.883   2.334
  Start of MODEL    2
 1221    HG2  PRO  68           HG2      PRO  68   6.409  -3.989   1.164
  Start of MODEL    2
 1222    HG3  PRO  68           HG3      PRO  68   6.586  -3.308   2.792
  Start of MODEL    2
 1223    HD3  PRO  68           HD2      PRO  68   8.575  -2.266   2.273
  Start of MODEL    2
 1224    HD2  PRO  68           HD3      PRO  68   7.910  -2.322   0.632
  Start of MODEL    2
 1225    H    GLY  69           H        GLY  69   8.606  -4.633  -0.979
  Start of MODEL    2
 1226    HA2  GLY  69           HA2      GLY  69   8.450  -5.916  -2.922
  Start of MODEL    2
 1227    HA3  GLY  69           HA3      GLY  69   8.522  -7.373  -1.941
  Start of MODEL    2
 1228    H    ASP  70           H        ASP  70   6.361  -6.214  -0.168
  Start of MODEL    2
 1229    HA   ASP  70           HA       ASP  70   4.117  -7.219  -1.702
  Start of MODEL    2
 1230    HB2  ASP  70           HB2      ASP  70   4.404  -6.348   1.185
  Start of MODEL    2
 1231    HB3  ASP  70           HB3      ASP  70   2.878  -6.886   0.480
  Start of MODEL    2
 1232    H    LEU  71           H        LEU  71   5.376  -4.148  -0.545
  Start of MODEL    2
 1233    HA   LEU  71           HA       LEU  71   2.914  -2.724  -1.083
  Start of MODEL    2
 1234    HB3  LEU  71           HB2      LEU  71   4.238  -0.669  -0.806
  Start of MODEL    2
 1235    HB2  LEU  71           HB3      LEU  71   5.704  -1.624  -0.692
  Start of MODEL    2
 1236    HG   LEU  71           HG       LEU  71   5.350  -2.136   1.466
  Start of MODEL    2
 1237   HD11  LEU  71          HD11      LEU  71   3.444  -3.564   1.085
  Start of MODEL    2
 1238   HD13  LEU  71          HD12      LEU  71   2.382  -2.160   0.944
  Start of MODEL    2
 1239   HD12  LEU  71          HD13      LEU  71   3.140  -2.542   2.491
  Start of MODEL    2
 1240   HD23  LEU  71          HD21      LEU  71   5.206   0.297   1.406
  Start of MODEL    2
 1241   HD22  LEU  71          HD22      LEU  71   4.196  -0.346   2.700
  Start of MODEL    2
 1242   HD21  LEU  71          HD23      LEU  71   3.456   0.202   1.193
  Start of MODEL    2
 1243    H    ARG  72           H        ARG  72   6.072  -3.060  -2.577
  Start of MODEL    2
 1244    HA   ARG  72           HA       ARG  72   5.670  -1.442  -4.816
  Start of MODEL    2
 1245    HB2  ARG  72           HB2      ARG  72   7.806  -2.675  -4.005
  Start of MODEL    2
 1246    HB3  ARG  72           HB3      ARG  72   7.210  -3.990  -4.994
  Start of MODEL    2
 1247    HG2  ARG  72           HG2      ARG  72   7.127  -1.582  -6.514
  Start of MODEL    2
 1248    HG3  ARG  72           HG3      ARG  72   8.725  -1.762  -5.792
  Start of MODEL    2
 1249    HD2  ARG  72           HD2      ARG  72   7.276  -3.729  -7.565
  Start of MODEL    2
 1250    HD3  ARG  72           HD3      ARG  72   8.744  -2.818  -7.938
  Start of MODEL    2
 1251    HE   ARG  72           HE       ARG  72   9.392  -4.283  -5.721
  Start of MODEL    2
 1252   HH11  ARG  72          HH11      ARG  72   8.223  -5.057  -8.933
  Start of MODEL    2
 1253   HH12  ARG  72          HH12      ARG  72   8.995  -6.605  -8.970
  Start of MODEL    2
 1254   HH22  ARG  72          HH21      ARG  72  10.232  -7.322  -7.185
  Start of MODEL    2
 1255   HH21  ARG  72          HH22      ARG  72  10.405  -6.321  -5.782
  Start of MODEL    2
 1256    H    ALA  73           H        ALA  73   5.317  -4.965  -4.602
  Start of MODEL    2
 1257    HA   ALA  73           HA       ALA  73   4.239  -5.442  -7.106
  Start of MODEL    2
 1258    HB1  ALA  73           HB1      ALA  73   3.593  -6.918  -4.549
  Start of MODEL    2
 1259    HB3  ALA  73           HB2      ALA  73   4.960  -7.239  -5.615
  Start of MODEL    2
 1260    HB2  ALA  73           HB3      ALA  73   3.314  -7.517  -6.184
  Start of MODEL    2
 1261    H    LYS  74           H        LYS  74   2.711  -4.332  -4.190
  Start of MODEL    2
 1262    HA   LYS  74           HA       LYS  74   0.021  -4.497  -5.182
  Start of MODEL    2
 1263    HB2  LYS  74           HB2      LYS  74   0.895  -4.397  -2.702
  Start of MODEL    2
 1264    HB3  LYS  74           HB3      LYS  74   0.814  -2.660  -2.945
  Start of MODEL    2
 1265    HG3  LYS  74           HG2      LYS  74  -1.624  -3.248  -3.783
  Start of MODEL    2
 1266    HG2  LYS  74           HG3      LYS  74  -1.254  -3.019  -2.073
  Start of MODEL    2
 1267    HD3  LYS  74           HD2      LYS  74  -1.054  -5.745  -3.302
  Start of MODEL    2
 1268    HD2  LYS  74           HD3      LYS  74  -2.626  -5.101  -2.827
  Start of MODEL    2
 1269    HE2  LYS  74           HE2      LYS  74  -0.239  -5.347  -1.000
  Start of MODEL    2
 1270    HE3  LYS  74           HE3      LYS  74  -1.856  -4.806  -0.549
  Start of MODEL    2
 1271    HZ2  LYS  74           HZ1      LYS  74  -1.504  -7.111   0.059
  Start of MODEL    2
 1272    HZ1  LYS  74           HZ2      LYS  74  -1.153  -7.516  -1.545
  Start of MODEL    2
 1273    HZ3  LYS  74           HZ3      LYS  74  -2.708  -6.997  -1.124
  Start of MODEL    2
 1274    H    VAL  75           H        VAL  75   2.463  -2.004  -4.818
  Start of MODEL    2
 1275    HA   VAL  75           HA       VAL  75   0.872   0.140  -5.850
  Start of MODEL    2
 1276    HB   VAL  75           HB       VAL  75   3.891  -0.047  -5.685
  Start of MODEL    2
 1277    H    MET  76           H        MET  76   3.620  -1.699  -7.272
  Start of MODEL    2
 1278    HA   MET  76           HA       MET  76   3.508  -0.637  -9.826
  Start of MODEL    2
 1279    HB3  MET  76           HB2      MET  76   4.405  -3.076 -10.389
  Start of MODEL    2
 1280    HB2  MET  76           HB3      MET  76   4.475  -3.211  -8.647
  Start of MODEL    2
 1281    HG3  MET  76           HG2      MET  76   6.424  -2.188  -8.652
  Start of MODEL    2
 1282    HG2  MET  76           HG3      MET  76   5.660  -0.750  -9.319
  Start of MODEL    2
 1283    HE2  MET  76           HE1      MET  76   5.911  -4.131 -11.722
  Start of MODEL    2
 1284    HE1  MET  76           HE2      MET  76   6.750  -4.254 -10.176
  Start of MODEL    2
 1285    HE3  MET  76           HE3      MET  76   7.674  -4.115 -11.672
  Start of MODEL    2
 1286    H    GLY  77           H        GLY  77   1.953  -3.589  -8.584
  Start of MODEL    2
 1287    HA2  GLY  77           HA2      GLY  77   0.600  -4.296 -10.936
  Start of MODEL    2
 1288    HA3  GLY  77           HA3      GLY  77   0.119  -4.769  -9.319
  Start of MODEL    2
 1289    H    ARG  78           H        ARG  78  -0.275  -2.032  -8.359
  Start of MODEL    2
 1290    HA   ARG  78           HA       ARG  78  -2.945  -1.655  -9.324
  Start of MODEL    2
 1291    HB2  ARG  78           HB2      ARG  78  -2.378  -1.244  -6.997
  Start of MODEL    2
 1292    HB3  ARG  78           HB3      ARG  78  -1.268   0.030  -7.460
  Start of MODEL    2
 1293    HG3  ARG  78           HG2      ARG  78  -3.200   1.270  -8.417
  Start of MODEL    2
 1294    HG2  ARG  78           HG3      ARG  78  -3.283   1.034  -6.673
  Start of MODEL    2
 1295    HD3  ARG  78           HD2      ARG  78  -4.904  -0.678  -6.888
  Start of MODEL    2
 1296    HD2  ARG  78           HD3      ARG  78  -4.647  -0.803  -8.628
  Start of MODEL    2
 1297    HE   ARG  78           HE       ARG  78  -6.126   0.897  -8.928
  Start of MODEL    2
 1298   HH12  ARG  78          HH11      ARG  78  -6.152   2.269  -5.159
  Start of MODEL    2
 1299   HH11  ARG  78          HH12      ARG  78  -5.031   1.027  -5.601
  Start of MODEL    2
 1300   HH22  ARG  78          HH21      ARG  78  -7.600   3.124  -6.706
  Start of MODEL    2
 1301   HH21  ARG  78          HH22      ARG  78  -7.587   2.536  -8.335
  Start of MODEL    2
 1302    H    LEU  79           H        LEU  79   0.200  -0.068  -9.696
  Start of MODEL    2
 1303    HA   LEU  79           HA       LEU  79  -0.683   2.175 -11.141
  Start of MODEL    2
 1304    HB3  LEU  79           HB2      LEU  79   1.887   0.754 -11.786
  Start of MODEL    2
 1305    HB2  LEU  79           HB3      LEU  79   1.690   1.556 -10.238
  Start of MODEL    2
 1306    HG   LEU  79           HG       LEU  79   1.197   3.019 -12.804
  Start of MODEL    2
 1307   HD12  LEU  79          HD11      LEU  79   3.378   2.230 -13.151
  Start of MODEL    2
 1308   HD11  LEU  79          HD12      LEU  79   3.831   2.489 -11.466
  Start of MODEL    2
 1309   HD13  LEU  79          HD13      LEU  79   3.560   3.868 -12.529
  Start of MODEL    2
 1310   HD21  LEU  79          HD21      LEU  79   1.047   3.655 -10.037
  Start of MODEL    2
 1311   HD23  LEU  79          HD22      LEU  79   0.763   4.707 -11.422
  Start of MODEL    2
 1312   HD22  LEU  79          HD23      LEU  79   2.381   4.574 -10.733
  Start of MODEL    2
 1313    H    ASP  80           H        ASP  80   0.535  -0.965 -12.213
  Start of MODEL    2
 1314    HA   ASP  80           HA       ASP  80   0.027  -0.802 -14.930
  Start of MODEL    2
 1315    HB3  ASP  80           HB2      ASP  80  -0.209  -3.248 -13.131
  Start of MODEL    2
 1316    HB2  ASP  80           HB3      ASP  80   1.286  -2.637 -13.842
  Start of MODEL    2
 1317    H    LEU  81           H        LEU  81  -2.182  -1.289 -12.239
  Start of MODEL    2
 1318    HA   LEU  81           HA       LEU  81  -4.410  -2.107 -13.843
  Start of MODEL    2
 1319    HB2  LEU  81           HB2      LEU  81  -3.767  -2.412 -11.270
  Start of MODEL    2
 1320    HB3  LEU  81           HB3      LEU  81  -4.655  -0.916 -11.127
  Start of MODEL    2
 1321    HG   LEU  81           HG       LEU  81  -5.700  -3.499 -12.171
  Start of MODEL    2
 1322   HD13  LEU  81          HD11      LEU  81  -7.043  -3.514 -10.175
  Start of MODEL    2
 1323   HD12  LEU  81          HD12      LEU  81  -6.424  -1.925  -9.716
  Start of MODEL    2
 1324   HD11  LEU  81          HD13      LEU  81  -5.348  -3.322  -9.726
  Start of MODEL    2
 1325   HD22  LEU  81          HD21      LEU  81  -6.763  -1.794 -13.417
  Start of MODEL    2
 1326   HD21  LEU  81          HD22      LEU  81  -6.929  -0.768 -11.992
  Start of MODEL    2
 1327   HD23  LEU  81          HD23      LEU  81  -7.892  -2.242 -12.138
  Start of MODEL    2
 1328    H    ILE  82           H        ILE  82  -3.208   0.759 -12.241
  Start of MODEL    2
 1329    HA   ILE  82           HA       ILE  82  -5.354   2.513 -12.809
  Start of MODEL    2
 1330    HB   ILE  82           HB       ILE  82  -2.446   3.098 -12.204
  Start of MODEL    2
 1331   HD12  ILE  82          HD11      ILE  82  -3.244   3.532  -8.642
  Start of MODEL    2
 1332   HD11  ILE  82          HD12      ILE  82  -2.349   4.361  -9.915
  Start of MODEL    2
 1333   HD13  ILE  82          HD13      ILE  82  -2.054   2.651  -9.596
  Start of MODEL    2
 1334    H    ARG  83           H        ARG  83  -2.122   2.289 -14.311
  Start of MODEL    2
 1335    HA   ARG  83           HA       ARG  83  -2.456   4.102 -16.371
  Start of MODEL    2
 1336    HB3  ARG  83           HB2      ARG  83  -0.298   3.173 -15.779
  Start of MODEL    2
 1337    HB2  ARG  83           HB3      ARG  83  -0.603   2.941 -17.489
  Start of MODEL    2
 1338    HG2  ARG  83           HG2      ARG  83   0.230   1.049 -15.651
  Start of MODEL    2
 1339    HG3  ARG  83           HG3      ARG  83  -1.477   0.679 -15.898
  Start of MODEL    2
 1340    HD2  ARG  83           HD2      ARG  83  -0.961  -0.318 -17.799
  Start of MODEL    2
 1341    HD3  ARG  83           HD3      ARG  83  -0.400   1.227 -18.431
  Start of MODEL    2
 1342    HE   ARG  83           HE       ARG  83   1.667   0.170 -16.904
  Start of MODEL    2
 1343   HH12  ARG  83          HH11      ARG  83   1.270  -1.497 -20.533
  Start of MODEL    2
 1344   HH11  ARG  83          HH12      ARG  83  -0.072  -0.661 -19.830
  Start of MODEL    2
 1345   HH22  ARG  83          HH21      ARG  83   3.255  -1.650 -19.406
  Start of MODEL    2
 1346   HH21  ARG  83          HH22      ARG  83   3.428  -0.931 -17.840
  Start of MODEL    2
 1347    H    SER  84           H        SER  84  -3.479   0.736 -16.213
  Start of MODEL    2
 1348    HA   SER  84           HA       SER  84  -4.095   0.392 -18.945
  Start of MODEL    2
 1349    HB2  SER  84           HB2      SER  84  -3.895  -1.481 -17.325
  Start of MODEL    2
 1350    HB3  SER  84           HB3      SER  84  -5.402  -0.957 -16.566
  Start of MODEL    2
 1351    HG   SER  84           HG       SER  84  -5.741  -2.626 -18.096
  Start of MODEL    2
 1352    H    GLY  85           H        GLY  85  -5.918   1.766 -16.259
  Start of MODEL    2
 1353    HA3  GLY  85           HA2      GLY  85  -8.020   2.540 -18.163
  Start of MODEL    2
 1354    HA2  GLY  85           HA3      GLY  85  -7.493   3.544 -16.822
  Start of MODEL    2
 1355    H    GLN  86           H        GLN  86  -7.573   2.027 -14.653
  Start of MODEL    2
 1356    HA   GLN  86           HA       GLN  86 -10.369   1.529 -14.291
  Start of MODEL    2
 1357    HB2  GLN  86           HB2      GLN  86  -8.350  -0.664 -14.319
  Start of MODEL    2
 1358    HB3  GLN  86           HB3      GLN  86  -9.671  -0.757 -13.157
  Start of MODEL    2
 1359    HG2  GLN  86           HG2      GLN  86 -10.997  -0.144 -15.441
  Start of MODEL    2
 1360    HG3  GLN  86           HG3      GLN  86  -9.667  -1.109 -16.061
  Start of MODEL    2
 1361   HE22  GLN  86          HE21      GLN  86 -10.787  -4.143 -14.698
  Start of MODEL    2
 1362   HE21  GLN  86          HE22      GLN  86  -9.443  -3.279 -15.356
  Start of MODEL    2
 1363    H    SER  87           H        SER  87 -10.976   2.168 -12.372
  Start of MODEL    2
 1364    HA   SER  87           HA       SER  87  -8.961   2.660 -10.308
  Start of MODEL    2
 1365    HB3  SER  87           HB2      SER  87 -11.534   3.796  -9.674
  Start of MODEL    2
 1366    HB2  SER  87           HB3      SER  87 -11.056   4.269 -11.303
  Start of MODEL    2
 1367    HG   SER  87           HG       SER  87  -9.846   4.842  -8.850
  Start of MODEL    2
 1368    H    VAL  88           H        VAL  88  -8.810   0.904  -9.023
  Start of MODEL    2
 1369    HA   VAL  88           HA       VAL  88 -11.279  -0.425  -8.196
  Start of MODEL    2
 1370    HB   VAL  88           HB       VAL  88 -10.202  -2.448  -8.078
  Start of MODEL    2
 1371    HA   PRO  89           HA       PRO  89 -10.294   0.934  -4.055
  Start of MODEL    2
 1372    HB3  PRO  89           HB2      PRO  89 -12.508   1.581  -4.202
  Start of MODEL    2
 1373    HB2  PRO  89           HB3      PRO  89 -12.647   0.327  -2.961
  Start of MODEL    2
 1374    HG3  PRO  89           HG2      PRO  89 -14.019   0.286  -5.346
  Start of MODEL    2
 1375    HG2  PRO  89           HG3      PRO  89 -13.638  -1.156  -4.383
  Start of MODEL    2
 1376    HD3  PRO  89           HD2      PRO  89 -12.657  -0.449  -6.978
  Start of MODEL    2
 1377    HD2  PRO  89           HD3      PRO  89 -12.257  -1.878  -6.012
  Start of MODEL    2
 1378    H    GLU  90           H        GLU  90  -8.821  -0.246  -2.942
  Start of MODEL    2
 1379    HA   GLU  90           HA       GLU  90  -9.568  -2.180  -1.081
  Start of MODEL    2
 1380    HB2  GLU  90           HB2      GLU  90  -8.349  -4.173  -2.021
  Start of MODEL    2
 1381    HB3  GLU  90           HB3      GLU  90  -9.864  -3.784  -2.817
  Start of MODEL    2
 1382    HG3  GLU  90           HG2      GLU  90  -7.082  -3.244  -3.821
  Start of MODEL    2
 1383    HG2  GLU  90           HG3      GLU  90  -8.542  -2.617  -4.585
  Start of MODEL    2
 1384    H    HIS  91           H        HIS  91  -8.078   0.110  -0.950
  Start of MODEL    2
 1385    HA   HIS  91           HA       HIS  91  -5.340  -0.869  -0.416
  Start of MODEL    2
 1386    HB2  HIS  91           HB2      HIS  91  -4.683   1.584  -0.642
  Start of MODEL    2
 1387    HB3  HIS  91           HB3      HIS  91  -5.141   0.759  -2.127
  Start of MODEL    2
 1388    HD1  HIS  91           HD1      HIS  91  -7.388   1.464  -3.235
  Start of MODEL    2
 1389    HD2  HIS  91           HD2      HIS  91  -6.350   3.688   0.119
  Start of MODEL    2
 1390    HE1  HIS  91           HE1      HIS  91  -8.898   3.474  -3.267
  Start of MODEL    2
 1391    HE2  HIS  91           HE2      HIS  91  -8.194   4.847  -1.275
  Start of MODEL    2
 1392    H    ASP  92           H        ASP  92  -6.677  -1.539   1.600
  Start of MODEL    2
 1393    HA   ASP  92           HA       ASP  92  -7.279   0.529   3.501
  Start of MODEL    2
 1394    HB3  ASP  92           HB2      ASP  92  -7.538  -1.411   5.093
  Start of MODEL    2
 1395    HB2  ASP  92           HB3      ASP  92  -7.058  -2.478   3.777
  Start of MODEL    2
 1396    H    VAL  93           H        VAL  93  -4.901  -2.136   3.616
  Start of MODEL    2
 1397    HA   VAL  93           HA       VAL  93  -3.121  -0.392   5.155
  Start of MODEL    2
 1398    HB   VAL  93           HB       VAL  93  -3.027  -3.391   5.287
  Start of MODEL    2
 1399    H    ALA  94           H        ALA  94  -3.515  -1.789   2.180
  Start of MODEL    2
 1400    HA   ALA  94           HA       ALA  94  -2.166  -2.152   0.396
  Start of MODEL    2
 1401    HB1  ALA  94           HB1      ALA  94  -0.115  -0.625   1.996
  Start of MODEL    2
 1402    HB3  ALA  94           HB2      ALA  94  -1.316   0.076   0.911
  Start of MODEL    2
 1403    HB2  ALA  94           HB3      ALA  94  -0.045  -0.964   0.267
  Start of MODEL    2
 1404    H    ALA  95           H        ALA  95  -1.992  -3.794   3.068
  Start of MODEL    2
 1405    HA   ALA  95           HA       ALA  95   0.123  -5.570   2.103
  Start of MODEL    2
 1406    HB3  ALA  95           HB1      ALA  95   1.067  -4.307   3.966
  Start of MODEL    2
 1407    HB2  ALA  95           HB2      ALA  95   0.870  -6.007   4.390
  Start of MODEL    2
 1408    HB1  ALA  95           HB3      ALA  95  -0.276  -4.809   4.993
  Start of MODEL    2
 1409    H    ALA  96           H        ALA  96  -2.653  -5.210   4.291
  Start of MODEL    2
 1410    HA   ALA  96           HA       ALA  96  -3.542  -7.908   3.530
  Start of MODEL    2
 1411    HB2  ALA  96           HB1      ALA  96  -4.239  -8.335   5.851
  Start of MODEL    2
 1412    HB1  ALA  96           HB2      ALA  96  -3.492  -6.814   6.342
  Start of MODEL    2
 1413    HB3  ALA  96           HB3      ALA  96  -2.494  -8.122   5.708
  Start of MODEL    2
 1414    HA   PRO  97           HA       PRO  97  -6.946  -4.746   3.221
  Start of MODEL    2
 1415    HB2  PRO  97           HB2      PRO  97  -7.443  -4.921   0.592
  Start of MODEL    2
 1416    HB3  PRO  97           HB3      PRO  97  -6.115  -3.940   1.222
  Start of MODEL    2
 1417    HG3  PRO  97           HG2      PRO  97  -4.924  -5.298  -0.231
  Start of MODEL    2
 1418    HG2  PRO  97           HG3      PRO  97  -6.042  -6.658  -0.020
  Start of MODEL    2
 1419    HD3  PRO  97           HD2      PRO  97  -3.705  -5.873   1.611
  Start of MODEL    2
 1420    HD2  PRO  97           HD3      PRO  97  -4.479  -7.459   1.433
  Start of MODEL    2
 1421    H    SER  98           H        SER  98  -9.162  -5.120   3.075
  Start of MODEL    2
 1422    HA   SER  98           HA       SER  98 -10.183  -7.631   2.060
  Start of MODEL    2
 1423    HB2  SER  98           HB2      SER  98  -9.400  -8.166   4.386
  Start of MODEL    2
 1424    HB3  SER  98           HB3      SER  98 -10.559  -6.985   4.996
  Start of MODEL    2
 1425    HG   SER  98           HG       SER  98 -11.396  -9.121   5.006
  Start of MODEL    2
 1426    H    SER  99           H        SER  99 -10.855  -5.442   0.881
  Start of MODEL    2
 1427    HA   SER  99           HA       SER  99 -13.129  -4.133   2.115
  Start of MODEL    2
 1428    HB3  SER  99           HB2      SER  99 -11.639  -2.763   0.780
  Start of MODEL    2
 1429    HB2  SER  99           HB3      SER  99 -13.215  -2.834  -0.017
  Start of MODEL    2
 1430    HG   SER  99           HG       SER  99 -11.685  -3.199  -1.573
  Start of MODEL    2
 1431    H    SER 100           H        SER 100 -12.589  -6.145  -0.793
  Start of MODEL    2
 1432    HA   SER 100           HA       SER 100 -15.137  -7.432  -0.459
  Start of MODEL    2
 1433    HB3  SER 100           HB2      SER 100 -14.755  -5.730  -2.935
  Start of MODEL    2
 1434    HB2  SER 100           HB3      SER 100 -15.779  -5.286  -1.571
  Start of MODEL    2
 1435    HG   SER 100           HG       SER 100 -16.957  -6.304  -3.255
  Start of MODEL    2
 1436    H    ALA 101           H        ALA 101 -12.682  -6.735  -2.970
  Start of MODEL    2
 1437    HA   ALA 101           HA       ALA 101 -12.302  -9.636  -3.293
  Start of MODEL    2
 1438    HB2  ALA 101           HB1      ALA 101 -12.142  -9.325  -5.741
  Start of MODEL    2
 1439    HB1  ALA 101           HB2      ALA 101 -12.646  -7.647  -5.537
  Start of MODEL    2
 1440    HB3  ALA 101           HB3      ALA 101 -13.746  -8.958  -5.106
  Start of MODEL    2
 1441    HA   PRO 102           HA       PRO 102  -8.281  -7.345  -2.437
  Start of MODEL    2
 1442    HB3  PRO 102           HB2      PRO 102  -7.336  -8.512  -0.685
  Start of MODEL    2
 1443    HB2  PRO 102           HB3      PRO 102  -7.807 -10.085  -1.339
  Start of MODEL    2
 1444    HG2  PRO 102           HG2      PRO 102  -9.387  -9.793   0.370
  Start of MODEL    2
 1445    HG3  PRO 102           HG3      PRO 102  -9.491  -8.046   0.075
  Start of MODEL    2
 1446    HD2  PRO 102           HD2      PRO 102 -10.668 -10.305  -1.506
  Start of MODEL    2
 1447    HD3  PRO 102           HD3      PRO 102 -11.391  -8.741  -1.064
  Start of MODEL    2
 1448    H    GLN 103           H        GLN 103  -8.504 -10.819  -3.302
  Start of MODEL    2
 1449    HA   GLN 103           HA       GLN 103  -7.239 -10.424  -5.835
  Start of MODEL    2
 1450    HB3  GLN 103           HB2      GLN 103  -5.619 -12.026  -3.863
  Start of MODEL    2
 1451    HB2  GLN 103           HB3      GLN 103  -5.325 -10.319  -4.130
  Start of MODEL    2
 1452    HG2  GLN 103           HG2      GLN 103  -4.991 -12.600  -6.040
  Start of MODEL    2
 1453    HG3  GLN 103           HG3      GLN 103  -5.073 -10.927  -6.572
  Start of MODEL    2
 1454   HE21  GLN 103          HE21      GLN 103  -3.228 -13.256  -4.739
  Start of MODEL    2
 1455   HE22  GLN 103          HE22      GLN 103  -1.754 -12.355  -4.709
  Start of MODEL    2
 1456    H    GLU 104           H        GLU 104  -9.592 -11.486  -5.602
  Start of MODEL    2
 1457    HA   GLU 104           HA       GLU 104  -9.459 -14.370  -5.263
  Start of MODEL    2
 1458    HB3  GLU 104           HB2      GLU 104 -11.423 -13.177  -4.420
  Start of MODEL    2
 1459    HB2  GLU 104           HB3      GLU 104 -11.872 -14.348  -5.649
  Start of MODEL    2
 1460    HG2  GLU 104           HG2      GLU 104 -11.581 -11.383  -6.097
  Start of MODEL    2
 1461    HG3  GLU 104           HG3      GLU 104 -12.093 -12.572  -7.293
  Start of MODEL    2
 1462    H    SER 105           H        SER 105  -9.766 -12.024  -7.880
  Start of MODEL    2
 1463    HA   SER 105           HA       SER 105  -9.034 -14.089  -9.794
  Start of MODEL    2
 1464    HB3  SER 105           HB2      SER 105 -11.494 -12.386 -10.264
  Start of MODEL    2
 1465    HB2  SER 105           HB3      SER 105 -11.547 -14.063  -9.721
  Start of MODEL    2
 1466    HG   SER 105           HG       SER 105 -11.762 -13.867 -11.999
  Start of MODEL    3
 1467    HA2  GLY  -2           HA2      GLY  -2 -10.891   5.247   8.529
  Start of MODEL    3
 1468    HA3  GLY  -2           HA3      GLY  -2  -9.789   6.615   8.501
  Start of MODEL    3
 1469    H    SER  -1           H        SER  -1 -10.382   8.432   7.044
  Start of MODEL    3
 1470    HA   SER  -1           HA       SER  -1 -13.265   8.643   6.530
  Start of MODEL    3
 1471    HB3  SER  -1           HB2      SER  -1 -11.690  10.807   7.946
  Start of MODEL    3
 1472    HB2  SER  -1           HB3      SER  -1 -12.736   9.652   8.771
  Start of MODEL    3
 1473    HG   SER  -1           HG       SER  -1 -13.803  11.631   8.301
  Start of MODEL    3
 1474    H    HIS   0           H        HIS   0 -13.809   9.834   4.750
  Start of MODEL    3
 1475    HA   HIS   0           HA       HIS   0 -11.631  11.207   3.311
  Start of MODEL    3
 1476    HB2  HIS   0           HB2      HIS   0 -13.719   9.338   2.172
  Start of MODEL    3
 1477    HB3  HIS   0           HB3      HIS   0 -12.719  10.396   1.182
  Start of MODEL    3
 1478    HD1  HIS   0           HD1      HIS   0 -12.547   7.308   3.298
  Start of MODEL    3
 1479    HD2  HIS   0           HD2      HIS   0 -10.082   9.563   0.826
  Start of MODEL    3
 1480    HE1  HIS   0           HE1      HIS   0 -10.495   5.901   2.930
  Start of MODEL    3
 1481    HE2  HIS   0           HE2      HIS   0  -9.056   7.250   1.363
  Start of MODEL    3
 1482    H    MET   1           H        MET   1 -12.097  13.196   2.558
  Start of MODEL    3
 1483    HA   MET   1           HA       MET   1 -14.878  14.140   2.831
  Start of MODEL    3
 1484    HB3  MET   1           HB2      MET   1 -13.818  16.431   2.975
  Start of MODEL    3
 1485    HB2  MET   1           HB3      MET   1 -12.256  15.627   3.053
  Start of MODEL    3
 1486    HG2  MET   1           HG2      MET   1 -14.510  15.285   5.022
  Start of MODEL    3
 1487    HG3  MET   1           HG3      MET   1 -12.940  14.489   5.102
  Start of MODEL    3
 1488    HE3  MET   1           HE1      MET   1 -14.259  16.218   7.482
  Start of MODEL    3
 1489    HE2  MET   1           HE2      MET   1 -12.838  17.090   8.058
  Start of MODEL    3
 1490    HE1  MET   1           HE3      MET   1 -12.711  15.387   7.618
  Start of MODEL    3
 1491    H    SER   2           H        SER   2 -11.937  14.755   0.885
  Start of MODEL    3
 1492    HA   SER   2           HA       SER   2 -13.584  14.835  -1.527
  Start of MODEL    3
 1493    HB2  SER   2           HB2      SER   2 -11.766  17.105  -0.676
  Start of MODEL    3
 1494    HB3  SER   2           HB3      SER   2 -12.488  16.949  -2.279
  Start of MODEL    3
 1495    HG   SER   2           HG       SER   2 -13.724  18.298  -0.903
  Start of MODEL    3
 1496    H    ALA   3           H        ALA   3 -12.656  13.179  -2.588
  Start of MODEL    3
 1497    HA   ALA   3           HA       ALA   3  -9.840  13.426  -3.320
  Start of MODEL    3
 1498    HB2  ALA   3           HB1      ALA   3  -9.335  11.106  -2.765
  Start of MODEL    3
 1499    HB1  ALA   3           HB2      ALA   3 -10.959  10.896  -2.109
  Start of MODEL    3
 1500    HB3  ALA   3           HB3      ALA   3  -9.828  11.999  -1.327
  Start of MODEL    3
 1501    H    GLY   4           H        GLY   4 -11.807  14.030  -5.025
  Start of MODEL    3
 1502    HA3  GLY   4           HA2      GLY   4 -13.171  13.165  -6.793
  Start of MODEL    3
 1503    HA2  GLY   4           HA3      GLY   4 -12.313  11.638  -6.667
  Start of MODEL    3
 1504    H    GLU   5           H        GLU   5 -12.067  14.980  -7.762
  Start of MODEL    3
 1505    HA   GLU   5           HA       GLU   5  -9.631  14.419  -9.234
  Start of MODEL    3
 1506    HB2  GLU   5           HB2      GLU   5 -12.287  15.004 -10.526
  Start of MODEL    3
 1507    HB3  GLU   5           HB3      GLU   5 -10.770  15.390 -11.336
  Start of MODEL    3
 1508    HG3  GLU   5           HG2      GLU   5 -11.715  12.666 -10.468
  Start of MODEL    3
 1509    HG2  GLU   5           HG3      GLU   5 -10.117  13.004 -11.131
  Start of MODEL    3
 1510    HA   PRO   6           HA       PRO   6  -9.674  18.747  -7.687
  Start of MODEL    3
 1511    HB3  PRO   6           HB2      PRO   6  -8.070  18.679  -6.069
  Start of MODEL    3
 1512    HB2  PRO   6           HB3      PRO   6  -6.810  18.330  -7.261
  Start of MODEL    3
 1513    HG3  PRO   6           HG2      PRO   6  -8.532  16.439  -5.724
  Start of MODEL    3
 1514    HG2  PRO   6           HG3      PRO   6  -6.822  16.292  -6.179
  Start of MODEL    3
 1515    HD3  PRO   6           HD2      PRO   6  -8.631  14.906  -7.506
  Start of MODEL    3
 1516    HD2  PRO   6           HD3      PRO   6  -7.348  15.753  -8.402
  Start of MODEL    3
 1517    H    HIS   7           H        HIS   7  -7.299  20.237  -8.102
  Start of MODEL    3
 1518    HA   HIS   7           HA       HIS   7  -7.489  20.712 -10.944
  Start of MODEL    3
 1519    HB2  HIS   7           HB2      HIS   7  -7.295  22.513  -9.143
  Start of MODEL    3
 1520    HB3  HIS   7           HB3      HIS   7  -5.596  22.070  -9.015
  Start of MODEL    3
 1521    HD1  HIS   7           HD1      HIS   7  -8.063  23.606 -11.414
  Start of MODEL    3
 1522    HD2  HIS   7           HD2      HIS   7  -3.960  23.080 -11.001
  Start of MODEL    3
 1523    HE1  HIS   7           HE1      HIS   7  -7.018  25.034 -13.201
  Start of MODEL    3
 1524    HE2  HIS   7           HE2      HIS   7  -4.534  24.768 -12.876
  Start of MODEL    3
 1525    H    GLU   8           H        GLU   8  -6.628  18.703 -11.717
  Start of MODEL    3
 1526    HA   GLU   8           HA       GLU   8  -3.733  18.340 -11.326
  Start of MODEL    3
 1527    HB2  GLU   8           HB2      GLU   8  -5.197  16.233 -12.778
  Start of MODEL    3
 1528    HB3  GLU   8           HB3      GLU   8  -4.010  16.099 -11.491
  Start of MODEL    3
 1529    HG3  GLU   8           HG2      GLU   8  -6.139  17.088 -10.124
  Start of MODEL    3
 1530    HG2  GLU   8           HG3      GLU   8  -5.733  15.379 -10.264
  Start of MODEL    3
 1531    H    THR   9           H        THR   9  -2.700  17.241 -13.367
  Start of MODEL    3
 1532    HA   THR   9           HA       THR   9  -3.676  18.320 -15.869
  Start of MODEL    3
 1533    HB   THR   9           HB       THR   9  -2.433  20.215 -15.355
  Start of MODEL    3
 1534    HG1  THR   9           HG1      THR   9  -1.581  19.758 -17.260
  Start of MODEL    3
 1535   HG21  THR   9          HG21      THR   9  -1.368  19.208 -13.287
  Start of MODEL    3
 1536   HG23  THR   9          HG22      THR   9  -0.406  20.372 -14.198
  Start of MODEL    3
 1537   HG22  THR   9          HG23      THR   9  -0.081  18.647 -14.356
  Start of MODEL    3
 1538    H    ASP  10           H        ASP  10  -0.852  16.750 -14.343
  Start of MODEL    3
 1539    HA   ASP  10           HA       ASP  10  -0.939  14.710 -16.470
  Start of MODEL    3
 1540    HB3  ASP  10           HB2      ASP  10   1.415  14.650 -16.658
  Start of MODEL    3
 1541    HB2  ASP  10           HB3      ASP  10   1.645  15.579 -15.176
  Start of MODEL    3
 1542    H    CYS  11           H        CYS  11  -1.430  12.790 -15.603
  Start of MODEL    3
 1543    HA   CYS  11           HA       CYS  11  -0.587  12.275 -12.827
  Start of MODEL    3
 1544    HB3  CYS  11           HB2      CYS  11  -2.953  11.112 -14.308
  Start of MODEL    3
 1545    HB2  CYS  11           HB3      CYS  11  -3.024  12.393 -13.104
  Start of MODEL    3
 1546    H    SER  12           H        SER  12  -1.144  10.635 -15.964
  Start of MODEL    3
 1547    HA   SER  12           HA       SER  12  -0.167   8.144 -15.310
  Start of MODEL    3
 1548    HB3  SER  12           HB2      SER  12   0.437   7.902 -17.728
  Start of MODEL    3
 1549    HB2  SER  12           HB3      SER  12   0.032   9.604 -17.930
  Start of MODEL    3
 1550    HG   SER  12           HG       SER  12  -1.727   8.211 -18.433
  Start of MODEL    3
 1551    H    GLU  13           H        GLU  13   1.672  11.052 -16.006
  Start of MODEL    3
 1552    HA   GLU  13           HA       GLU  13   4.176   9.802 -16.369
  Start of MODEL    3
 1553    HB2  GLU  13           HB2      GLU  13   3.601  12.569 -15.349
  Start of MODEL    3
 1554    HB3  GLU  13           HB3      GLU  13   5.156  12.008 -15.931
  Start of MODEL    3
 1555    HG2  GLU  13           HG2      GLU  13   3.999  11.545 -18.137
  Start of MODEL    3
 1556    HG3  GLU  13           HG3      GLU  13   2.633  12.458 -17.495
  Start of MODEL    3
 1557    H    ILE  14           H        ILE  14   2.417  10.873 -13.532
  Start of MODEL    3
 1558    HA   ILE  14           HA       ILE  14   4.550  10.456 -11.660
  Start of MODEL    3
 1559    HB   ILE  14           HB       ILE  14   1.547  10.617 -11.324
  Start of MODEL    3
 1560   HD12  ILE  14          HD11      ILE  14   4.270  13.699 -10.210
  Start of MODEL    3
 1561   HD11  ILE  14          HD12      ILE  14   4.866  12.047 -10.366
  Start of MODEL    3
 1562   HD13  ILE  14          HD13      ILE  14   3.860  12.495  -8.989
  Start of MODEL    3
 1563    H    LEU  15           H        LEU  15   1.895   8.378 -12.973
  Start of MODEL    3
 1564    HA   LEU  15           HA       LEU  15   2.552   6.189 -11.328
  Start of MODEL    3
 1565    HB2  LEU  15           HB2      LEU  15   1.596   5.861 -14.157
  Start of MODEL    3
 1566    HB3  LEU  15           HB3      LEU  15   1.189   4.909 -12.744
  Start of MODEL    3
 1567    HG   LEU  15           HG       LEU  15   0.224   7.740 -13.157
  Start of MODEL    3
 1568   HD11  LEU  15          HD11      LEU  15  -1.097   5.140 -13.888
  Start of MODEL    3
 1569   HD13  LEU  15          HD12      LEU  15  -0.651   6.459 -14.972
  Start of MODEL    3
 1570   HD12  LEU  15          HD13      LEU  15  -1.937   6.688 -13.786
  Start of MODEL    3
 1571   HD21  LEU  15          HD21      LEU  15   0.183   7.051 -10.843
  Start of MODEL    3
 1572   HD23  LEU  15          HD22      LEU  15  -0.634   5.548 -11.273
  Start of MODEL    3
 1573   HD22  LEU  15          HD23      LEU  15  -1.464   7.091 -11.473
  Start of MODEL    3
 1574    H    ASP  16           H        ASP  16   3.352   7.020 -14.723
  Start of MODEL    3
 1575    HA   ASP  16           HA       ASP  16   5.210   5.190 -15.355
  Start of MODEL    3
 1576    HB3  ASP  16           HB2      ASP  16   5.724   8.113 -15.890
  Start of MODEL    3
 1577    HB2  ASP  16           HB3      ASP  16   4.417   7.238 -16.680
  Start of MODEL    3
 1578    H    HIS  17           H        HIS  17   5.635   7.669 -12.849
  Start of MODEL    3
 1579    HA   HIS  17           HA       HIS  17   8.483   7.417 -12.694
  Start of MODEL    3
 1580    HB2  HIS  17           HB2      HIS  17   6.299   8.553 -10.932
  Start of MODEL    3
 1581    HB3  HIS  17           HB3      HIS  17   7.929   8.388 -10.325
  Start of MODEL    3
 1582    HD1  HIS  17           HD1      HIS  17   7.769  10.943  -9.955
  Start of MODEL    3
 1583    HD2  HIS  17           HD2      HIS  17   7.795   9.743 -13.932
  Start of MODEL    3
 1584    HE1  HIS  17           HE1      HIS  17   8.241  13.015 -11.253
  Start of MODEL    3
 1585    HE2  HIS  17           HE2      HIS  17   8.392  12.255 -13.666
  Start of MODEL    3
 1586    H    LEU  18           H        LEU  18   5.805   6.607 -10.529
  Start of MODEL    3
 1587    HA   LEU  18           HA       LEU  18   6.995   5.005  -8.710
  Start of MODEL    3
 1588    HB2  LEU  18           HB2      LEU  18   4.261   4.907  -9.920
  Start of MODEL    3
 1589    HB3  LEU  18           HB3      LEU  18   4.732   3.676  -8.764
  Start of MODEL    3
 1590    HG   LEU  18           HG       LEU  18   5.299   5.585  -7.171
  Start of MODEL    3
 1591   HD13  LEU  18          HD11      LEU  18   5.397   7.392  -8.788
  Start of MODEL    3
 1592   HD12  LEU  18          HD12      LEU  18   4.132   7.704  -7.595
  Start of MODEL    3
 1593   HD11  LEU  18          HD13      LEU  18   3.697   7.129  -9.206
  Start of MODEL    3
 1594   HD22  LEU  18          HD21      LEU  18   3.020   5.797  -6.422
  Start of MODEL    3
 1595   HD21  LEU  18          HD22      LEU  18   3.295   4.154  -6.997
  Start of MODEL    3
 1596   HD23  LEU  18          HD23      LEU  18   2.415   5.302  -8.003
  Start of MODEL    3
 1597    H    TYR  19           H        TYR  19   6.455   4.091 -12.042
  Start of MODEL    3
 1598    HA   TYR  19           HA       TYR  19   6.943   1.295 -11.457
  Start of MODEL    3
 1599    HB3  TYR  19           HB2      TYR  19   6.850   2.403 -14.247
  Start of MODEL    3
 1600    HB2  TYR  19           HB3      TYR  19   5.369   2.274 -13.303
  Start of MODEL    3
 1601    HD1  TYR  19           HD1      TYR  19   4.207   0.199 -13.153
  Start of MODEL    3
 1602    HD2  TYR  19           HD2      TYR  19   8.232   0.308 -14.579
  Start of MODEL    3
 1603    HE1  TYR  19           HE1      TYR  19   4.058  -2.173 -13.795
  Start of MODEL    3
 1604    HE2  TYR  19           HE2      TYR  19   8.086  -2.052 -15.218
  Start of MODEL    3
 1605    HH   TYR  19           HH       TYR  19   5.646  -3.654 -15.802
  Start of MODEL    3
 1606    H    GLU  20           H        GLU  20   8.512   3.514 -13.805
  Start of MODEL    3
 1607    HA   GLU  20           HA       GLU  20  10.895   1.967 -13.882
  Start of MODEL    3
 1608    HB2  GLU  20           HB2      GLU  20  10.641   4.858 -14.727
  Start of MODEL    3
 1609    HB3  GLU  20           HB3      GLU  20  11.796   3.670 -15.313
  Start of MODEL    3
 1610    HG2  GLU  20           HG2      GLU  20   8.829   3.430 -15.724
  Start of MODEL    3
 1611    HG3  GLU  20           HG3      GLU  20   9.908   4.228 -16.867
  Start of MODEL    3
 1612    H    PHE  21           H        PHE  21   9.897   4.733 -12.020
  Start of MODEL    3
 1613    HA   PHE  21           HA       PHE  21  12.404   5.569 -11.008
  Start of MODEL    3
 1614    HB3  PHE  21           HB2      PHE  21   9.823   5.773  -9.462
  Start of MODEL    3
 1615    HB2  PHE  21           HB3      PHE  21  10.025   6.698 -10.939
  Start of MODEL    3
 1616    HD1  PHE  21           HD1      PHE  21  10.735   8.834 -10.749
  Start of MODEL    3
 1617    HD2  PHE  21           HD2      PHE  21  11.842   6.018  -7.767
  Start of MODEL    3
 1618    HE1  PHE  21           HE1      PHE  21  11.853  10.631  -9.486
  Start of MODEL    3
 1619    HE2  PHE  21           HE2      PHE  21  12.968   7.809  -6.490
  Start of MODEL    3
 1620    HZ   PHE  21           HZ       PHE  21  12.972  10.117  -7.351
  Start of MODEL    3
 1621    H    LEU  22           H        LEU  22   9.868   3.585  -9.778
  Start of MODEL    3
 1622    HA   LEU  22           HA       LEU  22  11.168   2.807  -7.365
  Start of MODEL    3
 1623    HB2  LEU  22           HB2      LEU  22   8.753   2.901  -7.622
  Start of MODEL    3
 1624    HB3  LEU  22           HB3      LEU  22   8.815   1.586  -8.778
  Start of MODEL    3
 1625    HG   LEU  22           HG       LEU  22   9.381   0.001  -7.110
  Start of MODEL    3
 1626   HD12  LEU  22          HD11      LEU  22   7.037   0.516  -7.200
  Start of MODEL    3
 1627   HD11  LEU  22          HD12      LEU  22   7.253   1.897  -6.124
  Start of MODEL    3
 1628   HD13  LEU  22          HD13      LEU  22   7.491   0.261  -5.516
  Start of MODEL    3
 1629   HD22  LEU  22          HD21      LEU  22   9.737   0.632  -4.748
  Start of MODEL    3
 1630   HD21  LEU  22          HD22      LEU  22   9.728   2.329  -5.225
  Start of MODEL    3
 1631   HD23  LEU  22          HD23      LEU  22  10.990   1.251  -5.820
  Start of MODEL    3
 1632    H    ASP  23           H        ASP  23  10.538   0.970 -10.399
  Start of MODEL    3
 1633    HA   ASP  23           HA       ASP  23  12.086  -1.255  -9.414
  Start of MODEL    3
 1634    HB2  ASP  23           HB2      ASP  23  10.006  -0.952 -11.208
  Start of MODEL    3
 1635    HB3  ASP  23           HB3      ASP  23  11.383  -1.318 -12.246
  Start of MODEL    3
 1636    H    LYS  24           H        LYS  24  12.608   1.241 -11.907
  Start of MODEL    3
 1637    HA   LYS  24           HA       LYS  24  15.101  -0.057 -12.635
  Start of MODEL    3
 1638    HB2  LYS  24           HB2      LYS  24  13.278   1.867 -13.936
  Start of MODEL    3
 1639    HB3  LYS  24           HB3      LYS  24  14.980   1.991 -14.358
  Start of MODEL    3
 1640    HG3  LYS  24           HG2      LYS  24  14.795  -0.574 -14.752
  Start of MODEL    3
 1641    HG2  LYS  24           HG3      LYS  24  14.187   0.552 -15.967
  Start of MODEL    3
 1642    HD3  LYS  24           HD2      LYS  24  11.942   0.185 -15.345
  Start of MODEL    3
 1643    HD2  LYS  24           HD3      LYS  24  12.403  -0.581 -13.824
  Start of MODEL    3
 1644    HE2  LYS  24           HE2      LYS  24  13.489  -2.393 -15.232
  Start of MODEL    3
 1645    HE3  LYS  24           HE3      LYS  24  11.726  -2.341 -15.227
  Start of MODEL    3
 1646    HZ1  LYS  24           HZ1      LYS  24  13.504  -1.275 -17.355
  Start of MODEL    3
 1647    HZ3  LYS  24           HZ2      LYS  24  11.818  -1.135 -17.343
  Start of MODEL    3
 1648    HZ2  LYS  24           HZ3      LYS  24  12.539  -2.661 -17.454
  Start of MODEL    3
 1649    H    GLU  25           H        GLU  25  14.088   3.003 -11.127
  Start of MODEL    3
 1650    HA   GLU  25           HA       GLU  25  16.646   4.207 -11.391
  Start of MODEL    3
 1651    HB2  GLU  25           HB2      GLU  25  14.295   5.264 -10.841
  Start of MODEL    3
 1652    HB3  GLU  25           HB3      GLU  25  14.822   5.044  -9.181
  Start of MODEL    3
 1653    HG2  GLU  25           HG2      GLU  25  16.839   6.357  -9.663
  Start of MODEL    3
 1654    HG3  GLU  25           HG3      GLU  25  16.263   6.608 -11.310
  Start of MODEL    3
 1655    H    MET  26           H        MET  26  15.136   3.372  -8.248
  Start of MODEL    3
 1656    HA   MET  26           HA       MET  26  17.194   1.685  -7.341
  Start of MODEL    3
 1657    HB2  MET  26           HB2      MET  26  17.862   4.471  -7.257
  Start of MODEL    3
 1658    HB3  MET  26           HB3      MET  26  17.665   3.903  -5.607
  Start of MODEL    3
 1659    HG2  MET  26           HG2      MET  26  19.305   2.175  -5.952
  Start of MODEL    3
 1660    HG3  MET  26           HG3      MET  26  19.439   2.597  -7.657
  Start of MODEL    3
 1661    HE2  MET  26           HE1      MET  26  22.891   3.712  -6.124
  Start of MODEL    3
 1662    HE1  MET  26           HE2      MET  26  22.100   2.703  -7.335
  Start of MODEL    3
 1663    HE3  MET  26           HE3      MET  26  21.919   2.328  -5.622
  Start of MODEL    3
 1664    HA   PRO  27           HA       PRO  27  13.072   1.171  -5.311
  Start of MODEL    3
 1665    HB3  PRO  27           HB2      PRO  27  13.218  -1.036  -4.574
  Start of MODEL    3
 1666    HB2  PRO  27           HB3      PRO  27  14.945  -0.901  -4.193
  Start of MODEL    3
 1667    HG2  PRO  27           HG2      PRO  27  15.111  -1.906  -6.272
  Start of MODEL    3
 1668    HG3  PRO  27           HG3      PRO  27  13.601  -1.182  -6.848
  Start of MODEL    3
 1669    HD3  PRO  27           HD2      PRO  27  14.893   0.394  -7.860
  Start of MODEL    3
 1670    HD2  PRO  27           HD3      PRO  27  16.333  -0.119  -6.958
  Start of MODEL    3
 1671    H    ASP  28           H        ASP  28  15.867   0.431  -3.168
  Start of MODEL    3
 1672    HA   ASP  28           HA       ASP  28  14.583   1.593  -0.921
  Start of MODEL    3
 1673    HB2  ASP  28           HB2      ASP  28  16.735   1.238   0.252
  Start of MODEL    3
 1674    HB3  ASP  28           HB3      ASP  28  16.206  -0.193  -0.627
  Start of MODEL    3
 1675    H    SER  29           H        SER  29  16.941   2.884  -3.201
  Start of MODEL    3
 1676    HA   SER  29           HA       SER  29  17.203   5.325  -1.635
  Start of MODEL    3
 1677    HB2  SER  29           HB2      SER  29  18.838   3.981  -3.524
  Start of MODEL    3
 1678    HB3  SER  29           HB3      SER  29  18.438   5.558  -4.205
  Start of MODEL    3
 1679    HG   SER  29           HG       SER  29  20.309   5.622  -2.879
  Start of MODEL    3
 1680    H    ASP  30           H        ASP  30  14.582   4.958  -2.356
  Start of MODEL    3
 1681    HA   ASP  30           HA       ASP  30  14.184   7.167  -4.228
  Start of MODEL    3
 1682    HB3  ASP  30           HB2      ASP  30  12.130   5.838  -5.080
  Start of MODEL    3
 1683    HB2  ASP  30           HB3      ASP  30  12.960   4.430  -4.428
  Start of MODEL    3
 1684    H    ALA  31           H        ALA  31  13.224   5.492  -1.315
  Start of MODEL    3
 1685    HA   ALA  31           HA       ALA  31  10.626   6.426  -0.997
  Start of MODEL    3
 1686    HB2  ALA  31           HB1      ALA  31  12.508   6.283   1.315
  Start of MODEL    3
 1687    HB1  ALA  31           HB2      ALA  31  12.029   4.823   0.451
  Start of MODEL    3
 1688    HB3  ALA  31           HB3      ALA  31  10.806   5.831   1.224
  Start of MODEL    3
 1689    H    VAL  32           H        VAL  32  13.682   8.040  -0.177
  Start of MODEL    3
 1690    HA   VAL  32           HA       VAL  32  12.321  10.381   0.817
  Start of MODEL    3
 1691    HB   VAL  32           HB       VAL  32  14.448   9.652   1.823
  Start of MODEL    3
 1692    H    LYS  33           H        LYS  33  13.691   9.295  -2.168
  Start of MODEL    3
 1693    HA   LYS  33           HA       LYS  33  13.826  11.921  -3.362
  Start of MODEL    3
 1694    HB3  LYS  33           HB2      LYS  33  14.704  10.847  -5.258
  Start of MODEL    3
 1695    HB2  LYS  33           HB3      LYS  33  13.943   9.314  -4.855
  Start of MODEL    3
 1696    HG2  LYS  33           HG2      LYS  33  15.763  10.152  -2.773
  Start of MODEL    3
 1697    HG3  LYS  33           HG3      LYS  33  15.709   8.644  -3.681
  Start of MODEL    3
 1698    HD3  LYS  33           HD2      LYS  33  17.266  11.127  -4.165
  Start of MODEL    3
 1699    HD2  LYS  33           HD3      LYS  33  16.723  10.220  -5.576
  Start of MODEL    3
 1700    HE2  LYS  33           HE2      LYS  33  18.170   8.895  -3.301
  Start of MODEL    3
 1701    HE3  LYS  33           HE3      LYS  33  17.929   8.302  -4.943
  Start of MODEL    3
 1702    HZ1  LYS  33           HZ1      LYS  33  19.625  10.617  -4.174
  Start of MODEL    3
 1703    HZ3  LYS  33           HZ2      LYS  33  19.395  10.047  -5.750
  Start of MODEL    3
 1704    HZ2  LYS  33           HZ3      LYS  33  20.187   9.081  -4.610
  Start of MODEL    3
 1705    H    PHE  34           H        PHE  34  11.532   9.372  -2.994
  Start of MODEL    3
 1706    HA   PHE  34           HA       PHE  34   9.836   9.873  -5.185
  Start of MODEL    3
 1707    HB3  PHE  34           HB2      PHE  34   8.078   8.902  -3.425
  Start of MODEL    3
 1708    HB2  PHE  34           HB3      PHE  34   9.534   8.555  -2.503
  Start of MODEL    3
 1709    HD1  PHE  34           HD1      PHE  34   9.201   8.390  -6.189
  Start of MODEL    3
 1710    HD2  PHE  34           HD2      PHE  34   9.481   6.206  -2.545
  Start of MODEL    3
 1711    HE1  PHE  34           HE1      PHE  34   9.410   6.310  -7.458
  Start of MODEL    3
 1712    HE2  PHE  34           HE2      PHE  34   9.685   4.119  -3.811
  Start of MODEL    3
 1713    HZ   PHE  34           HZ       PHE  34   9.659   4.164  -6.274
  Start of MODEL    3
 1714    H    GLU  35           H        GLU  35   9.151  10.690  -1.783
  Start of MODEL    3
 1715    HA   GLU  35           HA       GLU  35   7.131  12.303  -1.722
  Start of MODEL    3
 1716    HB2  GLU  35           HB2      GLU  35   9.036  11.978   0.031
  Start of MODEL    3
 1717    HB3  GLU  35           HB3      GLU  35   9.604  13.533  -0.561
  Start of MODEL    3
 1718    HG2  GLU  35           HG2      GLU  35   7.427  14.523  -0.004
  Start of MODEL    3
 1719    HG3  GLU  35           HG3      GLU  35   6.891  12.963   0.619
  Start of MODEL    3
 1720    H    HIS  36           H        HIS  36  10.229  13.628  -2.945
  Start of MODEL    3
 1721    HA   HIS  36           HA       HIS  36   9.471  16.235  -3.425
  Start of MODEL    3
 1722    HB3  HIS  36           HB2      HIS  36  11.278  16.405  -4.977
  Start of MODEL    3
 1723    HB2  HIS  36           HB3      HIS  36  11.217  14.684  -5.340
  Start of MODEL    3
 1724    HD1  HIS  36           HD1      HIS  36  11.696  16.622  -2.083
  Start of MODEL    3
 1725    HD2  HIS  36           HD2      HIS  36  13.326  13.508  -4.296
  Start of MODEL    3
 1726    HE1  HIS  36           HE1      HIS  36  13.639  15.783  -0.721
  Start of MODEL    3
 1727    HE2  HIS  36           HE2      HIS  36  14.555  13.836  -2.034
  Start of MODEL    3
 1728    H    HIS  37           H        HIS  37   9.442  13.672  -5.904
  Start of MODEL    3
 1729    HA   HIS  37           HA       HIS  37   7.933  15.239  -7.760
  Start of MODEL    3
 1730    HB2  HIS  37           HB2      HIS  37   8.186  12.261  -7.977
  Start of MODEL    3
 1731    HB3  HIS  37           HB3      HIS  37   8.186  13.474  -9.253
  Start of MODEL    3
 1732    HD1  HIS  37           HD1      HIS  37  10.410  14.734  -9.639
  Start of MODEL    3
 1733    HD2  HIS  37           HD2      HIS  37  10.594  11.697  -6.820
  Start of MODEL    3
 1734    HE1  HIS  37           HE1      HIS  37  12.828  14.364  -9.215
  Start of MODEL    3
 1735    HE2  HIS  37           HE2      HIS  37  12.950  12.406  -7.641
  Start of MODEL    3
 1736    H    PHE  38           H        PHE  38   7.203  12.805  -5.374
  Start of MODEL    3
 1737    HA   PHE  38           HA       PHE  38   4.595  12.144  -6.232
  Start of MODEL    3
 1738    HB2  PHE  38           HB2      PHE  38   6.093  11.841  -3.640
  Start of MODEL    3
 1739    HB3  PHE  38           HB3      PHE  38   4.404  11.361  -3.776
  Start of MODEL    3
 1740    HD1  PHE  38           HD1      PHE  38   5.202   9.095  -3.099
  Start of MODEL    3
 1741    HD2  PHE  38           HD2      PHE  38   6.428  10.919  -6.795
  Start of MODEL    3
 1742    HE1  PHE  38           HE1      PHE  38   5.870   6.906  -3.965
  Start of MODEL    3
 1743    HE2  PHE  38           HE2      PHE  38   7.043   8.702  -7.657
  Start of MODEL    3
 1744    HZ   PHE  38           HZ       PHE  38   6.770   6.701  -6.250
  Start of MODEL    3
 1745    H    GLU  39           H        GLU  39   5.831  14.862  -4.458
  Start of MODEL    3
 1746    HA   GLU  39           HA       GLU  39   3.220  15.588  -3.392
  Start of MODEL    3
 1747    HB2  GLU  39           HB2      GLU  39   5.446  15.943  -2.182
  Start of MODEL    3
 1748    HB3  GLU  39           HB3      GLU  39   5.730  17.261  -3.311
  Start of MODEL    3
 1749    HG2  GLU  39           HG2      GLU  39   3.732  18.395  -2.520
  Start of MODEL    3
 1750    HG3  GLU  39           HG3      GLU  39   3.385  17.054  -1.431
  Start of MODEL    3
 1751    H    GLU  40           H        GLU  40   5.259  16.364  -6.116
  Start of MODEL    3
 1752    HA   GLU  40           HA       GLU  40   4.209  18.869  -6.800
  Start of MODEL    3
 1753    HB2  GLU  40           HB2      GLU  40   5.383  18.687  -8.761
  Start of MODEL    3
 1754    HB3  GLU  40           HB3      GLU  40   6.233  17.509  -7.785
  Start of MODEL    3
 1755    HG3  GLU  40           HG2      GLU  40   4.283  17.069 -10.015
  Start of MODEL    3
 1756    HG2  GLU  40           HG3      GLU  40   4.657  15.806  -8.853
  Start of MODEL    3
 1757    H    SER  41           H        SER  41   3.050  15.612  -7.539
  Start of MODEL    3
 1758    HA   SER  41           HA       SER  41   0.601  16.821  -8.643
  Start of MODEL    3
 1759    HB3  SER  41           HB2      SER  41   0.743  14.208  -9.652
  Start of MODEL    3
 1760    HB2  SER  41           HB3      SER  41   2.366  14.882  -9.835
  Start of MODEL    3
 1761    HG   SER  41           HG       SER  41   0.990  15.339 -11.627
  Start of MODEL    3
 1762    H    SER  42           H        SER  42   0.373  16.599  -6.079
  Start of MODEL    3
 1763    HA   SER  42           HA       SER  42  -0.218  14.108  -4.949
  Start of MODEL    3
 1764    HB3  SER  42           HB2      SER  42  -1.783  16.537  -4.146
  Start of MODEL    3
 1765    HB2  SER  42           HB3      SER  42  -0.043  16.503  -3.865
  Start of MODEL    3
 1766    HG   SER  42           HG       SER  42  -1.267  15.697  -2.084
  Start of MODEL    3
 1767    HA   PRO  43           HA       PRO  43  -4.849  15.120  -6.425
  Start of MODEL    3
 1768    HB3  PRO  43           HB2      PRO  43  -5.449  16.803  -7.864
  Start of MODEL    3
 1769    HB2  PRO  43           HB3      PRO  43  -4.113  16.469  -8.975
  Start of MODEL    3
 1770    HG3  PRO  43           HG2      PRO  43  -4.080  17.956  -6.371
  Start of MODEL    3
 1771    HG2  PRO  43           HG3      PRO  43  -3.363  18.421  -7.927
  Start of MODEL    3
 1772    HD3  PRO  43           HD2      PRO  43  -1.854  17.362  -6.014
  Start of MODEL    3
 1773    HD2  PRO  43           HD3      PRO  43  -1.613  16.891  -7.709
  Start of MODEL    3
 1774    H    CYS  44           H        CYS  44  -2.109  14.019  -8.310
  Start of MODEL    3
 1775    HA   CYS  44           HA       CYS  44  -3.689  12.547 -10.217
  Start of MODEL    3
 1776    HB3  CYS  44           HB2      CYS  44  -0.770  12.618  -9.494
  Start of MODEL    3
 1777    HB2  CYS  44           HB3      CYS  44  -1.535  13.010 -11.031
  Start of MODEL    3
 1778    H    LEU  45           H        LEU  45  -2.091  11.999  -7.168
  Start of MODEL    3
 1779    HA   LEU  45           HA       LEU  45  -2.730   9.191  -7.118
  Start of MODEL    3
 1780    HB2  LEU  45           HB2      LEU  45  -2.084  10.243  -4.507
  Start of MODEL    3
 1781    HB3  LEU  45           HB3      LEU  45  -1.292   9.013  -5.452
  Start of MODEL    3
 1782    HG   LEU  45           HG       LEU  45  -0.780  11.909  -5.914
  Start of MODEL    3
 1783   HD12  LEU  45          HD11      LEU  45   1.072  11.226  -7.152
  Start of MODEL    3
 1784   HD11  LEU  45          HD12      LEU  45  -0.179  10.072  -7.614
  Start of MODEL    3
 1785   HD13  LEU  45          HD13      LEU  45   1.060   9.609  -6.442
  Start of MODEL    3
 1786   HD22  LEU  45          HD21      LEU  45   1.385  11.300  -4.613
  Start of MODEL    3
 1787   HD21  LEU  45          HD22      LEU  45   0.346  10.089  -3.867
  Start of MODEL    3
 1788   HD23  LEU  45          HD23      LEU  45  -0.067  11.799  -3.750
  Start of MODEL    3
 1789    H    GLU  46           H        GLU  46  -4.685  11.856  -6.788
  Start of MODEL    3
 1790    HA   GLU  46           HA       GLU  46  -6.408  10.560  -4.784
  Start of MODEL    3
 1791    HB3  GLU  46           HB2      GLU  46  -7.431  12.681  -4.405
  Start of MODEL    3
 1792    HB2  GLU  46           HB3      GLU  46  -6.662  13.379  -5.825
  Start of MODEL    3
 1793    HG3  GLU  46           HG2      GLU  46  -4.613  13.549  -4.805
  Start of MODEL    3
 1794    HG2  GLU  46           HG3      GLU  46  -4.981  12.305  -3.612
  Start of MODEL    3
 1795    H    LYS  47           H        LYS  47  -5.935  10.236  -7.743
  Start of MODEL    3
 1796    HA   LYS  47           HA       LYS  47  -8.676  10.516  -8.779
  Start of MODEL    3
 1797    HB3  LYS  47           HB2      LYS  47  -7.510   9.460 -10.914
  Start of MODEL    3
 1798    HB2  LYS  47           HB3      LYS  47  -6.056  10.090 -10.160
  Start of MODEL    3
 1799    HG3  LYS  47           HG2      LYS  47  -8.244  12.020 -10.264
  Start of MODEL    3
 1800    HG2  LYS  47           HG3      LYS  47  -7.716  11.454 -11.850
  Start of MODEL    3
 1801    HD3  LYS  47           HD2      LYS  47  -5.509  12.037 -10.044
  Start of MODEL    3
 1802    HD2  LYS  47           HD3      LYS  47  -6.532  13.443 -10.359
  Start of MODEL    3
 1803    HE2  LYS  47           HE2      LYS  47  -4.669  13.274 -11.959
  Start of MODEL    3
 1804    HE3  LYS  47           HE3      LYS  47  -5.268  11.697 -12.471
  Start of MODEL    3
 1805    HZ1  LYS  47           HZ1      LYS  47  -7.374  13.543 -12.645
  Start of MODEL    3
 1806    HZ3  LYS  47           HZ2      LYS  47  -6.605  12.707 -13.897
  Start of MODEL    3
 1807    HZ2  LYS  47           HZ3      LYS  47  -6.024  14.219 -13.410
  Start of MODEL    3
 1808    H    TYR  48           H        TYR  48  -6.095   8.125  -8.572
  Start of MODEL    3
 1809    HA   TYR  48           HA       TYR  48  -8.065   5.955  -8.731
  Start of MODEL    3
 1810    HB3  TYR  48           HB2      TYR  48  -6.175   4.499  -9.221
  Start of MODEL    3
 1811    HB2  TYR  48           HB3      TYR  48  -5.046   5.810  -8.879
  Start of MODEL    3
 1812    HD1  TYR  48           HD1      TYR  48  -4.728   7.635 -10.460
  Start of MODEL    3
 1813    HD2  TYR  48           HD2      TYR  48  -7.446   4.469 -11.308
  Start of MODEL    3
 1814    HE1  TYR  48           HE1      TYR  48  -4.820   8.352 -12.808
  Start of MODEL    3
 1815    HE2  TYR  48           HE2      TYR  48  -7.543   5.177 -13.660
  Start of MODEL    3
 1816    HH   TYR  48           HH       TYR  48  -6.950   7.841 -14.808
  Start of MODEL    3
 1817    H    GLY  49           H        GLY  49  -6.156   7.632  -6.427
  Start of MODEL    3
 1818    HA3  GLY  49           HA2      GLY  49  -6.937   5.703  -4.392
  Start of MODEL    3
 1819    HA2  GLY  49           HA3      GLY  49  -6.391   7.350  -4.110
  Start of MODEL    3
 1820    H    LEU  50           H        LEU  50  -4.028   7.364  -5.561
  Start of MODEL    3
 1821    HA   LEU  50           HA       LEU  50  -2.416   5.156  -4.546
  Start of MODEL    3
 1822    HB3  LEU  50           HB2      LEU  50  -0.570   6.334  -5.827
  Start of MODEL    3
 1823    HB2  LEU  50           HB3      LEU  50  -1.798   7.436  -6.414
  Start of MODEL    3
 1824    HG   LEU  50           HG       LEU  50  -2.909   5.694  -7.622
  Start of MODEL    3
 1825   HD11  LEU  50          HD11      LEU  50   0.077   5.710  -7.954
  Start of MODEL    3
 1826   HD13  LEU  50          HD12      LEU  50  -1.134   6.614  -8.861
  Start of MODEL    3
 1827   HD12  LEU  50          HD13      LEU  50  -0.998   4.869  -9.069
  Start of MODEL    3
 1828   HD21  LEU  50          HD21      LEU  50  -1.114   3.861  -6.074
  Start of MODEL    3
 1829   HD23  LEU  50          HD22      LEU  50  -1.793   3.366  -7.626
  Start of MODEL    3
 1830   HD22  LEU  50          HD23      LEU  50  -2.863   3.791  -6.291
  Start of MODEL    3
 1831    H    GLU  51           H        GLU  51  -3.116   8.487  -3.801
  Start of MODEL    3
 1832    HA   GLU  51           HA       GLU  51  -0.890   9.446  -2.542
  Start of MODEL    3
 1833    HB2  GLU  51           HB2      GLU  51  -3.799   9.736  -2.105
  Start of MODEL    3
 1834    HB3  GLU  51           HB3      GLU  51  -2.814  10.126  -0.703
  Start of MODEL    3
 1835    HG2  GLU  51           HG2      GLU  51  -1.473  11.551  -2.448
  Start of MODEL    3
 1836    HG3  GLU  51           HG3      GLU  51  -2.992  11.478  -3.338
  Start of MODEL    3
 1837    H    GLN  52           H        GLN  52  -3.400   7.612  -0.973
  Start of MODEL    3
 1838    HA   GLN  52           HA       GLN  52  -2.313   7.126   1.514
  Start of MODEL    3
 1839    HB2  GLN  52           HB2      GLN  52  -3.830   4.902   0.201
  Start of MODEL    3
 1840    HB3  GLN  52           HB3      GLN  52  -3.932   5.492   1.853
  Start of MODEL    3
 1841    HG2  GLN  52           HG2      GLN  52  -4.763   7.609   0.215
  Start of MODEL    3
 1842    HG3  GLN  52           HG3      GLN  52  -5.524   6.160  -0.431
  Start of MODEL    3
 1843   HE21  GLN  52          HE21      GLN  52  -5.187   8.206   2.393
  Start of MODEL    3
 1844   HE22  GLN  52          HE22      GLN  52  -6.608   7.650   3.201
  Start of MODEL    3
 1845    H    ALA  53           H        ALA  53  -1.708   5.379  -1.487
  Start of MODEL    3
 1846    HA   ALA  53           HA       ALA  53  -0.121   3.364  -0.173
  Start of MODEL    3
 1847    HB3  ALA  53           HB1      ALA  53   0.246   2.391  -2.288
  Start of MODEL    3
 1848    HB2  ALA  53           HB2      ALA  53  -0.185   3.884  -3.130
  Start of MODEL    3
 1849    HB1  ALA  53           HB3      ALA  53  -1.424   2.962  -2.276
  Start of MODEL    3
 1850    H    VAL  54           H        VAL  54   0.700   6.024  -2.449
  Start of MODEL    3
 1851    HA   VAL  54           HA       VAL  54   3.454   5.636  -2.425
  Start of MODEL    3
 1852    HB   VAL  54           HB       VAL  54   3.720   7.680  -3.469
  Start of MODEL    3
 1853    H    LYS  55           H        LYS  55   1.449   7.347  -0.067
  Start of MODEL    3
 1854    HA   LYS  55           HA       LYS  55   3.437   8.682   1.391
  Start of MODEL    3
 1855    HB3  LYS  55           HB2      LYS  55   1.941   8.493   3.344
  Start of MODEL    3
 1856    HB2  LYS  55           HB3      LYS  55   1.005   7.261   2.518
  Start of MODEL    3
 1857    HG3  LYS  55           HG2      LYS  55   0.293   9.831   2.659
  Start of MODEL    3
 1858    HG2  LYS  55           HG3      LYS  55  -0.193   8.742   1.361
  Start of MODEL    3
 1859    HD3  LYS  55           HD2      LYS  55   1.516   9.606  -0.084
  Start of MODEL    3
 1860    HD2  LYS  55           HD3      LYS  55   2.254  10.513   1.236
  Start of MODEL    3
 1861    HE3  LYS  55           HE2      LYS  55  -0.576  11.021   0.368
  Start of MODEL    3
 1862    HE2  LYS  55           HE3      LYS  55   0.788  11.787  -0.445
  Start of MODEL    3
 1863    HZ3  LYS  55           HZ1      LYS  55   0.092  12.032   2.431
  Start of MODEL    3
 1864    HZ2  LYS  55           HZ2      LYS  55  -0.057  13.235   1.252
  Start of MODEL    3
 1865    HZ1  LYS  55           HZ3      LYS  55   1.476  12.694   1.717
  Start of MODEL    3
 1866    H    LYS  56           H        LYS  56   2.315   5.407   1.424
  Start of MODEL    3
 1867    HA   LYS  56           HA       LYS  56   3.848   4.495   3.613
  Start of MODEL    3
 1868    HB3  LYS  56           HB2      LYS  56   3.406   2.175   2.469
  Start of MODEL    3
 1869    HB2  LYS  56           HB3      LYS  56   2.294   3.123   1.498
  Start of MODEL    3
 1870    HG2  LYS  56           HG2      LYS  56   1.163   2.095   3.396
  Start of MODEL    3
 1871    HG3  LYS  56           HG3      LYS  56   2.259   2.929   4.500
  Start of MODEL    3
 1872    HD2  LYS  56           HD2      LYS  56   1.028   4.752   2.630
  Start of MODEL    3
 1873    HD3  LYS  56           HD3      LYS  56  -0.186   3.867   3.549
  Start of MODEL    3
 1874    HE2  LYS  56           HE2      LYS  56   2.125   5.097   4.981
  Start of MODEL    3
 1875    HE3  LYS  56           HE3      LYS  56   0.818   6.141   4.411
  Start of MODEL    3
 1876    HZ1  LYS  56           HZ1      LYS  56   0.494   3.786   6.203
  Start of MODEL    3
 1877    HZ3  LYS  56           HZ2      LYS  56  -0.751   4.799   5.667
  Start of MODEL    3
 1878    HZ2  LYS  56           HZ3      LYS  56   0.453   5.407   6.688
  Start of MODEL    3
 1879    H    LEU  57           H        LEU  57   4.426   4.579   0.106
  Start of MODEL    3
 1880    HA   LEU  57           HA       LEU  57   6.802   3.064   0.124
  Start of MODEL    3
 1881    HB2  LEU  57           HB2      LEU  57   6.122   5.276  -1.783
  Start of MODEL    3
 1882    HB3  LEU  57           HB3      LEU  57   7.207   3.946  -2.060
  Start of MODEL    3
 1883    HG   LEU  57           HG       LEU  57   4.266   4.043  -2.252
  Start of MODEL    3
 1884   HD13  LEU  57          HD11      LEU  57   4.632   3.123  -4.287
  Start of MODEL    3
 1885   HD12  LEU  57          HD12      LEU  57   5.952   2.096  -3.714
  Start of MODEL    3
 1886   HD11  LEU  57          HD13      LEU  57   6.236   3.819  -4.044
  Start of MODEL    3
 1887   HD23  LEU  57          HD21      LEU  57   4.242   1.501  -2.074
  Start of MODEL    3
 1888   HD22  LEU  57          HD22      LEU  57   4.271   2.415  -0.569
  Start of MODEL    3
 1889   HD21  LEU  57          HD23      LEU  57   5.750   1.668  -1.175
  Start of MODEL    3
 1890    H    VAL  58           H        VAL  58   6.137   6.511   0.440
  Start of MODEL    3
 1891    HA   VAL  58           HA       VAL  58   8.793   7.411   0.358
  Start of MODEL    3
 1892    HB   VAL  58           HB       VAL  58   6.404   8.596   1.789
  Start of MODEL    3
 1893    H    LYS  59           H        LYS  59   6.872   6.094   2.953
  Start of MODEL    3
 1894    HA   LYS  59           HA       LYS  59   8.521   6.710   5.139
  Start of MODEL    3
 1895    HB3  LYS  59           HB2      LYS  59   6.356   4.703   4.607
  Start of MODEL    3
 1896    HB2  LYS  59           HB3      LYS  59   6.284   6.163   5.569
  Start of MODEL    3
 1897    HG3  LYS  59           HG2      LYS  59   6.483   4.779   7.321
  Start of MODEL    3
 1898    HG2  LYS  59           HG3      LYS  59   8.189   4.711   6.879
  Start of MODEL    3
 1899    HD2  LYS  59           HD2      LYS  59   7.442   2.815   5.275
  Start of MODEL    3
 1900    HD3  LYS  59           HD3      LYS  59   7.659   2.469   6.992
  Start of MODEL    3
 1901    HE3  LYS  59           HE2      LYS  59   5.589   1.490   6.032
  Start of MODEL    3
 1902    HE2  LYS  59           HE3      LYS  59   5.014   3.125   5.691
  Start of MODEL    3
 1903    HZ1  LYS  59           HZ1      LYS  59   5.778   2.278   8.424
  Start of MODEL    3
 1904    HZ3  LYS  59           HZ2      LYS  59   4.218   2.033   7.821
  Start of MODEL    3
 1905    HZ2  LYS  59           HZ3      LYS  59   4.832   3.603   7.959
  Start of MODEL    3
 1906    H    ARG  60           H        ARG  60   8.574   4.104   2.804
  Start of MODEL    3
 1907    HA   ARG  60           HA       ARG  60   9.852   2.017   3.865
  Start of MODEL    3
 1908    HB3  ARG  60           HB2      ARG  60  11.261   1.856   1.771
  Start of MODEL    3
 1909    HB2  ARG  60           HB3      ARG  60  10.623   3.426   1.311
  Start of MODEL    3
 1910    HG2  ARG  60           HG2      ARG  60   9.193   0.807   1.525
  Start of MODEL    3
 1911    HG3  ARG  60           HG3      ARG  60   8.311   2.336   1.563
  Start of MODEL    3
 1912    HD2  ARG  60           HD2      ARG  60   8.813   2.842  -0.607
  Start of MODEL    3
 1913    HD3  ARG  60           HD3      ARG  60  10.318   1.928  -0.586
  Start of MODEL    3
 1914    HE   ARG  60           HE       ARG  60   8.479  -0.015  -0.417
  Start of MODEL    3
 1915   HH11  ARG  60          HH11      ARG  60   8.774   2.719  -2.578
  Start of MODEL    3
 1916   HH12  ARG  60          HH12      ARG  60   8.023   1.905  -3.906
  Start of MODEL    3
 1917   HH21  ARG  60          HH21      ARG  60   7.518  -1.088  -2.180
  Start of MODEL    3
 1918   HH22  ARG  60          HH22      ARG  60   7.309  -0.254  -3.680
  Start of MODEL    3
 1919    H    ALA  61           H        ALA  61  11.812   4.690   2.556
  Start of MODEL    3
 1920    HA   ALA  61           HA       ALA  61  13.822   5.564   3.150
  Start of MODEL    3
 1921    HB3  ALA  61           HB1      ALA  61  14.365   5.792   5.455
  Start of MODEL    3
 1922    HB2  ALA  61           HB2      ALA  61  13.371   4.402   5.895
  Start of MODEL    3
 1923    HB1  ALA  61           HB3      ALA  61  12.608   5.887   5.326
  Start of MODEL    3
 1924    H    ALA  62           H        ALA  62  16.067   4.997   3.937
  Start of MODEL    3
 1925    HA   ALA  62           HA       ALA  62  16.684   2.284   3.085
  Start of MODEL    3
 1926    HB3  ALA  62           HB1      ALA  62  17.854   4.118   1.979
  Start of MODEL    3
 1927    HB2  ALA  62           HB2      ALA  62  18.980   3.076   2.849
  Start of MODEL    3
 1928    HB1  ALA  62           HB3      ALA  62  18.517   4.636   3.530
  Start of MODEL    3
 1929    H    GLY  63           H        GLY  63  17.337   0.721   4.441
  Start of MODEL    3
 1930    HA3  GLY  63           HA2      GLY  63  18.641   1.391   6.960
  Start of MODEL    3
 1931    HA2  GLY  63           HA3      GLY  63  18.456  -0.217   6.270
  Start of MODEL    3
 1932    H    GLN  64           H        GLN  64  15.500   0.336   5.868
  Start of MODEL    3
 1933    HA   GLN  64           HA       GLN  64  14.701  -0.444   8.561
  Start of MODEL    3
 1934    HB3  GLN  64           HB2      GLN  64  12.716   1.092   8.451
  Start of MODEL    3
 1935    HB2  GLN  64           HB3      GLN  64  13.437   1.837   7.031
  Start of MODEL    3
 1936    HG2  GLN  64           HG2      GLN  64  14.761   1.726   9.732
  Start of MODEL    3
 1937    HG3  GLN  64           HG3      GLN  64  15.301   2.621   8.314
  Start of MODEL    3
 1938   HE21  GLN  64          HE21      GLN  64  12.902   2.448  10.854
  Start of MODEL    3
 1939   HE22  GLN  64          HE22      GLN  64  12.349   4.078  10.705
  Start of MODEL    3
 1940    H    ASP  65           H        ASP  65  11.952   0.328   6.829
  Start of MODEL    3
 1941    HA   ASP  65           HA       ASP  65  11.545  -2.474   6.136
  Start of MODEL    3
 1942    HB2  ASP  65           HB2      ASP  65   9.848  -0.896   7.356
  Start of MODEL    3
 1943    HB3  ASP  65           HB3      ASP  65   9.493  -0.308   5.735
  Start of MODEL    3
 1944    H    ASP  66           H        ASP  66  13.399  -0.794   4.617
  Start of MODEL    3
 1945    HA   ASP  66           HA       ASP  66  12.760   0.348   2.366
  Start of MODEL    3
 1946    HB3  ASP  66           HB2      ASP  66  15.056  -0.011   2.883
  Start of MODEL    3
 1947    HB2  ASP  66           HB3      ASP  66  14.744  -0.682   1.285
  Start of MODEL    3
 1948    H    VAL  67           H        VAL  67  12.016   0.030   0.523
  Start of MODEL    3
 1949    HA   VAL  67           HA       VAL  67  10.132  -1.062  -0.602
  Start of MODEL    3
 1950    HB   VAL  67           HB       VAL  67  11.322  -1.868  -2.667
  Start of MODEL    3
 1951    HA   PRO  68           HA       PRO  68  10.299  -5.419   0.737
  Start of MODEL    3
 1952    HB2  PRO  68           HB2      PRO  68   7.802  -5.531   1.722
  Start of MODEL    3
 1953    HB3  PRO  68           HB3      PRO  68   9.134  -4.849   2.664
  Start of MODEL    3
 1954    HG2  PRO  68           HG2      PRO  68   6.981  -3.453   1.135
  Start of MODEL    3
 1955    HG3  PRO  68           HG3      PRO  68   7.696  -3.035   2.701
  Start of MODEL    3
 1956    HD3  PRO  68           HD2      PRO  68   9.403  -1.870   1.727
  Start of MODEL    3
 1957    HD2  PRO  68           HD3      PRO  68   8.382  -1.868   0.282
  Start of MODEL    3
 1958    H    GLY  69           H        GLY  69   8.903  -7.225  -0.073
  Start of MODEL    3
 1959    HA3  GLY  69           HA2      GLY  69   8.023  -8.280  -1.930
  Start of MODEL    3
 1960    HA2  GLY  69           HA3      GLY  69   8.189  -6.770  -2.809
  Start of MODEL    3
 1961    H    ASP  70           H        ASP  70   6.489  -5.923  -0.137
  Start of MODEL    3
 1962    HA   ASP  70           HA       ASP  70   3.910  -6.754  -1.234
  Start of MODEL    3
 1963    HB2  ASP  70           HB2      ASP  70   4.560  -5.636   1.497
  Start of MODEL    3
 1964    HB3  ASP  70           HB3      ASP  70   2.963  -6.157   0.956
  Start of MODEL    3
 1965    H    LEU  71           H        LEU  71   5.740  -3.753  -0.638
  Start of MODEL    3
 1966    HA   LEU  71           HA       LEU  71   3.338  -2.189  -1.091
  Start of MODEL    3
 1967    HB3  LEU  71           HB2      LEU  71   4.780  -0.225  -0.999
  Start of MODEL    3
 1968    HB2  LEU  71           HB3      LEU  71   6.200  -1.247  -0.935
  Start of MODEL    3
 1969    HG   LEU  71           HG       LEU  71   5.227  -2.188   1.223
  Start of MODEL    3
 1970   HD13  LEU  71          HD11      LEU  71   6.303  -0.550   2.509
  Start of MODEL    3
 1971   HD12  LEU  71          HD12      LEU  71   5.885   0.737   1.378
  Start of MODEL    3
 1972   HD11  LEU  71          HD13      LEU  71   7.090  -0.471   0.934
  Start of MODEL    3
 1973   HD23  LEU  71          HD21      LEU  71   3.746  -0.374   2.357
  Start of MODEL    3
 1974   HD22  LEU  71          HD22      LEU  71   2.995  -1.534   1.262
  Start of MODEL    3
 1975   HD21  LEU  71          HD23      LEU  71   3.354   0.101   0.701
  Start of MODEL    3
 1976    H    ARG  72           H        ARG  72   6.407  -2.826  -2.728
  Start of MODEL    3
 1977    HA   ARG  72           HA       ARG  72   5.902  -1.403  -5.059
  Start of MODEL    3
 1978    HB2  ARG  72           HB2      ARG  72   8.012  -2.735  -4.140
  Start of MODEL    3
 1979    HB3  ARG  72           HB3      ARG  72   7.383  -3.956  -5.224
  Start of MODEL    3
 1980    HG2  ARG  72           HG2      ARG  72   7.329  -1.710  -6.786
  Start of MODEL    3
 1981    HG3  ARG  72           HG3      ARG  72   8.771  -1.466  -5.802
  Start of MODEL    3
 1982    HD3  ARG  72           HD2      ARG  72   9.083  -2.683  -8.011
  Start of MODEL    3
 1983    HD2  ARG  72           HD3      ARG  72   8.229  -4.039  -7.267
  Start of MODEL    3
 1984    HE   ARG  72           HE       ARG  72  10.346  -3.219  -5.593
  Start of MODEL    3
 1985   HH11  ARG  72          HH11      ARG  72   9.800  -4.854  -8.643
  Start of MODEL    3
 1986   HH12  ARG  72          HH12      ARG  72  11.257  -5.783  -8.543
  Start of MODEL    3
 1987   HH21  ARG  72          HH21      ARG  72  12.260  -4.447  -5.471
  Start of MODEL    3
 1988   HH22  ARG  72          HH22      ARG  72  12.652  -5.553  -6.744
  Start of MODEL    3
 1989    H    ALA  73           H        ALA  73   5.567  -4.902  -4.556
  Start of MODEL    3
 1990    HA   ALA  73           HA       ALA  73   4.366  -5.545  -6.959
  Start of MODEL    3
 1991    HB1  ALA  73           HB1      ALA  73   3.838  -6.876  -4.295
  Start of MODEL    3
 1992    HB3  ALA  73           HB2      ALA  73   5.203  -7.217  -5.359
  Start of MODEL    3
 1993    HB2  ALA  73           HB3      ALA  73   3.562  -7.584  -5.887
  Start of MODEL    3
 1994    H    LYS  74           H        LYS  74   2.980  -4.215  -4.088
  Start of MODEL    3
 1995    HA   LYS  74           HA       LYS  74   0.251  -4.530  -4.949
  Start of MODEL    3
 1996    HB2  LYS  74           HB2      LYS  74   1.108  -4.390  -2.514
  Start of MODEL    3
 1997    HB3  LYS  74           HB3      LYS  74   1.132  -2.653  -2.766
  Start of MODEL    3
 1998    HG3  LYS  74           HG2      LYS  74  -1.316  -2.906  -3.466
  Start of MODEL    3
 1999    HG2  LYS  74           HG3      LYS  74  -0.925  -3.074  -1.754
  Start of MODEL    3
 2000    HD2  LYS  74           HD2      LYS  74  -1.251  -5.381  -3.670
  Start of MODEL    3
 2001    HD3  LYS  74           HD3      LYS  74  -0.999  -5.484  -1.928
  Start of MODEL    3
 2002    HE3  LYS  74           HE2      LYS  74  -3.374  -4.138  -3.207
  Start of MODEL    3
 2003    HE2  LYS  74           HE3      LYS  74  -3.137  -4.490  -1.496
  Start of MODEL    3
 2004    HZ2  LYS  74           HZ1      LYS  74  -4.626  -6.081  -2.545
  Start of MODEL    3
 2005    HZ1  LYS  74           HZ2      LYS  74  -3.221  -6.846  -1.996
  Start of MODEL    3
 2006    HZ3  LYS  74           HZ3      LYS  74  -3.418  -6.522  -3.644
  Start of MODEL    3
 2007    H    VAL  75           H        VAL  75   2.634  -1.931  -4.805
  Start of MODEL    3
 2008    HA   VAL  75           HA       VAL  75   0.802   0.012  -5.865
  Start of MODEL    3
 2009    HB   VAL  75           HB       VAL  75   2.865   0.538  -4.431
  Start of MODEL    3
 2010    H    MET  76           H        MET  76   3.647  -1.703  -7.335
  Start of MODEL    3
 2011    HA   MET  76           HA       MET  76   3.332  -0.667  -9.879
  Start of MODEL    3
 2012    HB3  MET  76           HB2      MET  76   5.247  -2.088  -9.013
  Start of MODEL    3
 2013    HB2  MET  76           HB3      MET  76   4.731  -2.427 -10.656
  Start of MODEL    3
 2014    HG3  MET  76           HG2      MET  76   3.543  -4.060  -8.486
  Start of MODEL    3
 2015    HG2  MET  76           HG3      MET  76   5.243  -4.313  -8.855
  Start of MODEL    3
 2016    HE2  MET  76           HE1      MET  76   3.514  -7.359 -10.611
  Start of MODEL    3
 2017    HE1  MET  76           HE2      MET  76   3.026  -6.605  -9.094
  Start of MODEL    3
 2018    HE3  MET  76           HE3      MET  76   4.737  -6.852  -9.446
  Start of MODEL    3
 2019    H    GLY  77           H        GLY  77   1.873  -3.584  -8.485
  Start of MODEL    3
 2020    HA2  GLY  77           HA2      GLY  77   0.413  -4.386 -10.747
  Start of MODEL    3
 2021    HA3  GLY  77           HA3      GLY  77   0.008  -4.799  -9.093
  Start of MODEL    3
 2022    H    ARG  78           H        ARG  78  -0.201  -1.906  -8.365
  Start of MODEL    3
 2023    HA   ARG  78           HA       ARG  78  -2.957  -1.536  -9.057
  Start of MODEL    3
 2024    HB3  ARG  78           HB2      ARG  78  -2.456   0.741  -7.841
  Start of MODEL    3
 2025    HB2  ARG  78           HB3      ARG  78  -0.970  -0.066  -7.375
  Start of MODEL    3
 2026    HG2  ARG  78           HG2      ARG  78  -2.521  -1.953  -6.531
  Start of MODEL    3
 2027    HG3  ARG  78           HG3      ARG  78  -2.359  -0.479  -5.575
  Start of MODEL    3
 2028    HD2  ARG  78           HD2      ARG  78  -4.416   0.357  -6.838
  Start of MODEL    3
 2029    HD3  ARG  78           HD3      ARG  78  -4.631  -1.315  -7.359
  Start of MODEL    3
 2030    HE   ARG  78           HE       ARG  78  -5.137  -0.224  -4.743
  Start of MODEL    3
 2031   HH22  ARG  78          HH11      ARG  78  -6.045  -3.310  -3.423
  Start of MODEL    3
 2032   HH21  ARG  78          HH12      ARG  78  -6.047  -1.597  -3.171
  Start of MODEL    3
 2033   HH21  ARG  78          HH21      ARG  78  -5.135  -4.196  -5.324
  Start of MODEL    3
 2034   HH22  ARG  78          HH22      ARG  78  -4.441  -3.161  -6.526
  Start of MODEL    3
 2035    H    LEU  79           H        LEU  79   0.196  -0.092  -9.858
  Start of MODEL    3
 2036    HA   LEU  79           HA       LEU  79  -0.733   2.020 -11.466
  Start of MODEL    3
 2037    HB3  LEU  79           HB2      LEU  79   1.774   0.340 -11.645
  Start of MODEL    3
 2038    HB2  LEU  79           HB3      LEU  79   1.603   1.871 -10.817
  Start of MODEL    3
 2039    HG   LEU  79           HG       LEU  79   0.979   2.687 -13.250
  Start of MODEL    3
 2040   HD13  LEU  79          HD11      LEU  79   2.738   3.659 -11.974
  Start of MODEL    3
 2041   HD12  LEU  79          HD12      LEU  79   3.391   3.259 -13.562
  Start of MODEL    3
 2042   HD11  LEU  79          HD13      LEU  79   3.745   2.227 -12.175
  Start of MODEL    3
 2043   HD22  LEU  79          HD21      LEU  79   1.144   1.006 -14.725
  Start of MODEL    3
 2044   HD21  LEU  79          HD22      LEU  79   2.200   0.056 -13.680
  Start of MODEL    3
 2045   HD23  LEU  79          HD23      LEU  79   2.869   1.366 -14.654
  Start of MODEL    3
 2046    H    ASP  80           H        ASP  80   0.388  -1.221 -12.348
  Start of MODEL    3
 2047    HA   ASP  80           HA       ASP  80  -0.338  -1.275 -15.007
  Start of MODEL    3
 2048    HB3  ASP  80           HB2      ASP  80  -0.412  -3.578 -13.011
  Start of MODEL    3
 2049    HB2  ASP  80           HB3      ASP  80   1.014  -3.018 -13.885
  Start of MODEL    3
 2050    H    LEU  81           H        LEU  81  -2.342  -1.579 -12.133
  Start of MODEL    3
 2051    HA   LEU  81           HA       LEU  81  -4.697  -2.587 -13.396
  Start of MODEL    3
 2052    HB3  LEU  81           HB2      LEU  81  -4.844  -0.858 -10.998
  Start of MODEL    3
 2053    HB2  LEU  81           HB3      LEU  81  -3.837  -2.270 -10.844
  Start of MODEL    3
 2054    HG   LEU  81           HG       LEU  81  -5.751  -3.698 -11.387
  Start of MODEL    3
 2055   HD12  LEU  81          HD11      LEU  81  -7.057  -3.259  -9.354
  Start of MODEL    3
 2056   HD11  LEU  81          HD12      LEU  81  -6.307  -1.665  -9.231
  Start of MODEL    3
 2057   HD13  LEU  81          HD13      LEU  81  -5.322  -3.118  -9.061
  Start of MODEL    3
 2058   HD21  LEU  81          HD21      LEU  81  -7.139  -1.042 -11.684
  Start of MODEL    3
 2059   HD23  LEU  81          HD22      LEU  81  -8.016  -2.557 -11.449
  Start of MODEL    3
 2060   HD22  LEU  81          HD23      LEU  81  -6.997  -2.337 -12.873
  Start of MODEL    3
 2061    H    ILE  82           H        ILE  82  -3.415   0.419 -12.317
  Start of MODEL    3
 2062    HA   ILE  82           HA       ILE  82  -5.520   2.174 -12.995
  Start of MODEL    3
 2063    HB   ILE  82           HB       ILE  82  -2.558   2.573 -12.621
  Start of MODEL    3
 2064   HD11  ILE  82          HD11      ILE  82  -1.982   3.840 -10.737
  Start of MODEL    3
 2065   HD13  ILE  82          HD12      ILE  82  -2.482   2.484  -9.725
  Start of MODEL    3
 2066   HD12  ILE  82          HD13      ILE  82  -3.114   4.098  -9.409
  Start of MODEL    3
 2067    H    ARG  83           H        ARG  83  -2.525   1.381 -14.742
  Start of MODEL    3
 2068    HA   ARG  83           HA       ARG  83  -2.974   2.820 -17.047
  Start of MODEL    3
 2069    HB2  ARG  83           HB2      ARG  83  -0.898   2.135 -17.298
  Start of MODEL    3
 2070    HB3  ARG  83           HB3      ARG  83  -1.055   1.223 -15.838
  Start of MODEL    3
 2071    HG3  ARG  83           HG2      ARG  83  -1.929  -0.026 -18.381
  Start of MODEL    3
 2072    HG2  ARG  83           HG3      ARG  83  -1.328  -0.753 -16.889
  Start of MODEL    3
 2073    HD2  ARG  83           HD2      ARG  83   0.127  -0.378 -19.184
  Start of MODEL    3
 2074    HD3  ARG  83           HD3      ARG  83   0.569   1.033 -18.218
  Start of MODEL    3
 2075    HE   ARG  83           HE       ARG  83   0.806  -1.109 -16.517
  Start of MODEL    3
 2076   HH12  ARG  83          HH11      ARG  83   3.713  -1.032 -19.280
  Start of MODEL    3
 2077   HH11  ARG  83          HH12      ARG  83   2.229  -0.194 -19.583
  Start of MODEL    3
 2078   HH22  ARG  83          HH21      ARG  83   4.015  -2.172 -17.320
  Start of MODEL    3
 2079   HH21  ARG  83          HH22      ARG  83   2.762  -2.206 -16.127
  Start of MODEL    3
 2080    H    SER  84           H        SER  84  -3.792  -0.542 -16.233
  Start of MODEL    3
 2081    HA   SER  84           HA       SER  84  -5.177  -0.787 -18.807
  Start of MODEL    3
 2082    HB3  SER  84           HB2      SER  84  -4.326  -3.090 -17.058
  Start of MODEL    3
 2083    HB2  SER  84           HB3      SER  84  -3.267  -2.378 -18.281
  Start of MODEL    3
 2084    HG   SER  84           HG       SER  84  -4.451  -4.178 -19.078
  Start of MODEL    3
 2085    H    GLY  85           H        GLY  85  -6.331   0.428 -16.353
  Start of MODEL    3
 2086    HA3  GLY  85           HA2      GLY  85  -8.147  -1.429 -15.185
  Start of MODEL    3
 2087    HA2  GLY  85           HA3      GLY  85  -8.919  -0.547 -16.497
  Start of MODEL    3
 2088    H    GLN  86           H        GLN  86  -9.861  -0.374 -13.894
  Start of MODEL    3
 2089    HA   GLN  86           HA       GLN  86  -8.838   2.045 -12.694
  Start of MODEL    3
 2090    HB2  GLN  86           HB2      GLN  86 -11.450   1.938 -14.161
  Start of MODEL    3
 2091    HB3  GLN  86           HB3      GLN  86 -11.251   3.024 -12.792
  Start of MODEL    3
 2092    HG3  GLN  86           HG2      GLN  86 -10.246   3.237 -15.517
  Start of MODEL    3
 2093    HG2  GLN  86           HG3      GLN  86  -9.010   3.528 -14.293
  Start of MODEL    3
 2094   HE22  GLN  86          HE21      GLN  86 -12.020   6.187 -14.910
  Start of MODEL    3
 2095   HE21  GLN  86          HE22      GLN  86 -12.017   4.632 -15.663
  Start of MODEL    3
 2096    H    SER  87           H        SER  87 -11.409  -0.408 -12.708
  Start of MODEL    3
 2097    HA   SER  87           HA       SER  87 -12.558  -0.032 -10.253
  Start of MODEL    3
 2098    HB3  SER  87           HB2      SER  87 -11.861  -2.794 -11.246
  Start of MODEL    3
 2099    HB2  SER  87           HB3      SER  87 -13.101  -1.805 -12.019
  Start of MODEL    3
 2100    HG   SER  87           HG       SER  87 -13.961  -3.207 -10.416
  Start of MODEL    3
 2101    H    VAL  88           H        VAL  88 -11.985  -0.218  -8.172
  Start of MODEL    3
 2102    HA   VAL  88           HA       VAL  88  -9.700  -1.831  -7.399
  Start of MODEL    3
 2103    HB   VAL  88           HB       VAL  88  -8.939   0.163  -5.910
  Start of MODEL    3
 2104    HA   PRO  89           HA       PRO  89 -13.091  -2.103  -4.340
  Start of MODEL    3
 2105    HB3  PRO  89           HB2      PRO  89 -14.237  -3.843  -5.192
  Start of MODEL    3
 2106    HB2  PRO  89           HB3      PRO  89 -12.984  -4.944  -4.603
  Start of MODEL    3
 2107    HG3  PRO  89           HG2      PRO  89 -13.373  -3.818  -7.310
  Start of MODEL    3
 2108    HG2  PRO  89           HG3      PRO  89 -12.545  -5.303  -6.818
  Start of MODEL    3
 2109    HD3  PRO  89           HD2      PRO  89 -11.229  -3.148  -7.708
  Start of MODEL    3
 2110    HD2  PRO  89           HD3      PRO  89 -10.576  -4.174  -6.411
  Start of MODEL    3
 2111    H    GLU  90           H        GLU  90 -12.630  -2.094  -2.227
  Start of MODEL    3
 2112    HA   GLU  90           HA       GLU  90 -11.672  -2.495  -0.218
  Start of MODEL    3
 2113    HB3  GLU  90           HB2      GLU  90 -10.842  -4.701   0.292
  Start of MODEL    3
 2114    HB2  GLU  90           HB3      GLU  90 -10.722  -5.075  -1.414
  Start of MODEL    3
 2115    HG2  GLU  90           HG2      GLU  90 -13.288  -4.488   0.036
  Start of MODEL    3
 2116    HG3  GLU  90           HG3      GLU  90 -13.125  -4.977  -1.650
  Start of MODEL    3
 2117    H    HIS  91           H        HIS  91  -9.667  -2.475   0.943
  Start of MODEL    3
 2118    HA   HIS  91           HA       HIS  91  -7.392  -1.669  -0.744
  Start of MODEL    3
 2119    HB2  HIS  91           HB2      HIS  91  -8.585  -0.551   1.621
  Start of MODEL    3
 2120    HB3  HIS  91           HB3      HIS  91  -6.891  -0.919   1.920
  Start of MODEL    3
 2121    HD1  HIS  91           HD1      HIS  91  -5.138   0.484   0.675
  Start of MODEL    3
 2122    HD2  HIS  91           HD2      HIS  91  -9.059   1.468  -0.288
  Start of MODEL    3
 2123    HE1  HIS  91           HE1      HIS  91  -4.995   2.646  -0.600
  Start of MODEL    3
 2124    HE2  HIS  91           HE2      HIS  91  -7.386   3.266  -1.098
  Start of MODEL    3
 2125    H    ASP  92           H        ASP  92  -8.438  -4.270   1.089
  Start of MODEL    3
 2126    HA   ASP  92           HA       ASP  92  -7.418  -6.096   1.989
  Start of MODEL    3
 2127    HB2  ASP  92           HB2      ASP  92  -5.296  -5.143   0.055
  Start of MODEL    3
 2128    HB3  ASP  92           HB3      ASP  92  -5.157  -6.651   0.955
  Start of MODEL    3
 2129    H    VAL  93           H        VAL  93  -4.326  -4.554   1.579
  Start of MODEL    3
 2130    HA   VAL  93           HA       VAL  93  -4.141  -3.492   4.237
  Start of MODEL    3
 2131    HB   VAL  93           HB       VAL  93  -2.399  -5.822   3.399
  Start of MODEL    3
 2132    H    ALA  94           H        ALA  94  -3.961  -2.712   1.372
  Start of MODEL    3
 2133    HA   ALA  94           HA       ALA  94  -1.240  -2.221   0.732
  Start of MODEL    3
 2134    HB2  ALA  94           HB1      ALA  94  -2.096  -0.848  -1.082
  Start of MODEL    3
 2135    HB1  ALA  94           HB2      ALA  94  -3.706  -0.882  -0.364
  Start of MODEL    3
 2136    HB3  ALA  94           HB3      ALA  94  -2.985  -2.367  -0.982
  Start of MODEL    3
 2137    H    ALA  95           H        ALA  95  -3.789  -0.326   2.231
  Start of MODEL    3
 2138    HA   ALA  95           HA       ALA  95  -1.965   1.298   3.678
  Start of MODEL    3
 2139    HB3  ALA  95           HB1      ALA  95  -1.542   2.427   1.608
  Start of MODEL    3
 2140    HB2  ALA  95           HB2      ALA  95  -2.536   3.485   2.608
  Start of MODEL    3
 2141    HB1  ALA  95           HB3      ALA  95  -3.268   2.585   1.281
  Start of MODEL    3
 2142    H    ALA  96           H        ALA  96  -3.224   0.891   5.461
  Start of MODEL    3
 2143    HA   ALA  96           HA       ALA  96  -5.002   0.947   6.894
  Start of MODEL    3
 2144    HB1  ALA  96           HB1      ALA  96  -5.534   3.536   5.436
  Start of MODEL    3
 2145    HB3  ALA  96           HB2      ALA  96  -4.447   3.324   6.808
  Start of MODEL    3
 2146    HB2  ALA  96           HB3      ALA  96  -6.182   3.085   7.013
  Start of MODEL    3
 2147    HA   PRO  97           HA       PRO  97  -8.014  -0.612   3.772
  Start of MODEL    3
 2148    HB2  PRO  97           HB2      PRO  97  -8.060  -3.166   4.505
  Start of MODEL    3
 2149    HB3  PRO  97           HB3      PRO  97  -6.677  -2.512   3.604
  Start of MODEL    3
 2150    HG3  PRO  97           HG2      PRO  97  -5.623  -3.430   5.489
  Start of MODEL    3
 2151    HG2  PRO  97           HG3      PRO  97  -6.959  -2.982   6.563
  Start of MODEL    3
 2152    HD2  PRO  97           HD2      PRO  97  -5.627  -1.182   7.039
  Start of MODEL    3
 2153    HD3  PRO  97           HD3      PRO  97  -4.733  -1.316   5.512
  Start of MODEL    3
 2154    H    SER  98           H        SER  98 -10.029   0.011   4.234
  Start of MODEL    3
 2155    HA   SER  98           HA       SER  98 -11.582  -1.314   6.235
  Start of MODEL    3
 2156    HB2  SER  98           HB2      SER  98 -10.355   0.406   7.601
  Start of MODEL    3
 2157    HB3  SER  98           HB3      SER  98 -11.151   1.657   6.646
  Start of MODEL    3
 2158    HG   SER  98           HG       SER  98 -12.256   1.180   8.611
  Start of MODEL    3
 2159    H    SER  99           H        SER  99 -12.050  -1.364   3.626
  Start of MODEL    3
 2160    HA   SER  99           HA       SER  99 -13.953   0.739   2.930
  Start of MODEL    3
 2161    HB2  SER  99           HB2      SER  99 -12.191  -0.929   1.444
  Start of MODEL    3
 2162    HB3  SER  99           HB3      SER  99 -13.839  -1.274   0.916
  Start of MODEL    3
 2163    HG   SER  99           HG       SER  99 -12.883   0.466  -0.240
  Start of MODEL    3
 2164    H    SER 100           H        SER 100 -13.894  -2.825   3.149
  Start of MODEL    3
 2165    HA   SER 100           HA       SER 100 -16.763  -2.754   3.795
  Start of MODEL    3
 2166    HB2  SER 100           HB2      SER 100 -16.422  -3.385   1.389
  Start of MODEL    3
 2167    HB3  SER 100           HB3      SER 100 -15.518  -4.797   1.939
  Start of MODEL    3
 2168    HG   SER 100           HG       SER 100 -17.734  -5.260   1.535
  Start of MODEL    3
 2169    H    ALA 101           H        ALA 101 -13.887  -4.874   3.668
  Start of MODEL    3
 2170    HA   ALA 101           HA       ALA 101 -14.729  -6.018   6.258
  Start of MODEL    3
 2171    HB3  ALA 101           HB1      ALA 101 -15.040  -7.671   4.521
  Start of MODEL    3
 2172    HB2  ALA 101           HB2      ALA 101 -13.688  -8.140   5.552
  Start of MODEL    3
 2173    HB1  ALA 101           HB3      ALA 101 -13.383  -7.439   3.963
  Start of MODEL    3
 2174    HA   PRO 102           HA       PRO 102 -10.695  -3.767   6.929
  Start of MODEL    3
 2175    HB3  PRO 102           HB2      PRO 102 -10.990  -2.763   8.988
  Start of MODEL    3
 2176    HB2  PRO 102           HB3      PRO 102 -11.794  -4.177   9.682
  Start of MODEL    3
 2177    HG2  PRO 102           HG2      PRO 102 -13.615  -2.757   9.279
  Start of MODEL    3
 2178    HG3  PRO 102           HG3      PRO 102 -12.885  -2.119   7.793
  Start of MODEL    3
 2179    HD2  PRO 102           HD2      PRO 102 -14.251  -4.742   8.256
  Start of MODEL    3
 2180    HD3  PRO 102           HD3      PRO 102 -14.338  -3.655   6.851
  Start of MODEL    3
 2181    H    GLN 103           H        GLN 103 -12.002  -6.375   9.004
  Start of MODEL    3
 2182    HA   GLN 103           HA       GLN 103  -9.718  -8.048   8.493
  Start of MODEL    3
 2183    HB3  GLN 103           HB2      GLN 103 -10.129  -7.426  11.395
  Start of MODEL    3
 2184    HB2  GLN 103           HB3      GLN 103  -9.158  -6.342  10.419
  Start of MODEL    3
 2185    HG3  GLN 103           HG2      GLN 103  -7.531  -7.691  11.195
  Start of MODEL    3
 2186    HG2  GLN 103           HG3      GLN 103  -7.973  -8.563   9.736
  Start of MODEL    3
 2187   HE22  GLN 103          HE21      GLN 103  -8.828 -10.118  13.410
  Start of MODEL    3
 2188   HE21  GLN 103          HE22      GLN 103  -8.456  -8.441  13.220
  Start of MODEL    3
 2189    H    GLU 104           H        GLU 104 -12.139  -8.703   7.758
  Start of MODEL    3
 2190    HA   GLU 104           HA       GLU 104 -13.618 -10.102   9.806
  Start of MODEL    3
 2191    HB2  GLU 104           HB2      GLU 104 -13.929  -9.972   6.801
  Start of MODEL    3
 2192    HB3  GLU 104           HB3      GLU 104 -15.002 -10.892   7.847
  Start of MODEL    3
 2193    HG2  GLU 104           HG2      GLU 104 -14.547  -7.953   8.245
  Start of MODEL    3
 2194    HG3  GLU 104           HG3      GLU 104 -15.749  -8.568   7.113
  Start of MODEL    3
 2195    H    SER 105           H        SER 105 -12.833 -11.940  10.621
  Start of MODEL    3
 2196    HA   SER 105           HA       SER 105 -11.094 -13.662   9.082
  Start of MODEL    3
 2197    HB2  SER 105           HB2      SER 105 -12.194 -13.944  11.891
  Start of MODEL    3
 2198    HB3  SER 105           HB3      SER 105 -10.992 -15.012  11.165
  Start of MODEL    3
 2199    HG   SER 105           HG       SER 105 -10.041 -13.359  12.441
  Start of MODEL    4
 2200    HA2  GLY  -2           HA2      GLY  -2 -25.454   1.309  -5.634
  Start of MODEL    4
 2201    HA3  GLY  -2           HA3      GLY  -2 -25.907   1.626  -7.302
  Start of MODEL    4
 2202    H    SER  -1           H        SER  -1 -23.171   1.787  -5.045
  Start of MODEL    4
 2203    HA   SER  -1           HA       SER  -1 -20.945   1.434  -5.298
  Start of MODEL    4
 2204    HB3  SER  -1           HB2      SER  -1 -21.593   0.041  -7.903
  Start of MODEL    4
 2205    HB2  SER  -1           HB3      SER  -1 -21.824  -0.713  -6.326
  Start of MODEL    4
 2206    HG   SER  -1           HG       SER  -1 -19.785  -1.216  -7.253
  Start of MODEL    4
 2207    H    HIS   0           H        HIS   0 -20.167   3.479  -5.559
  Start of MODEL    4
 2208    HA   HIS   0           HA       HIS   0 -20.040   4.586  -8.282
  Start of MODEL    4
 2209    HB3  HIS   0           HB2      HIS   0 -19.414   6.723  -7.088
  Start of MODEL    4
 2210    HB2  HIS   0           HB3      HIS   0 -19.735   5.891  -5.571
  Start of MODEL    4
 2211    HD1  HIS   0           HD1      HIS   0 -22.221   5.331  -5.027
  Start of MODEL    4
 2212    HD2  HIS   0           HD2      HIS   0 -21.668   7.529  -8.510
  Start of MODEL    4
 2213    HE1  HIS   0           HE1      HIS   0 -24.499   6.198  -5.643
  Start of MODEL    4
 2214    HE2  HIS   0           HE2      HIS   0 -24.125   7.596  -7.706
  Start of MODEL    4
 2215    H    MET   1           H        MET   1 -18.111   5.112  -9.246
  Start of MODEL    4
 2216    HA   MET   1           HA       MET   1 -15.716   3.950  -8.027
  Start of MODEL    4
 2217    HB3  MET   1           HB2      MET   1 -14.739   4.279 -10.328
  Start of MODEL    4
 2218    HB2  MET   1           HB3      MET   1 -16.317   4.854 -10.848
  Start of MODEL    4
 2219    HG3  MET   1           HG2      MET   1 -17.298   2.693 -10.264
  Start of MODEL    4
 2220    HG2  MET   1           HG3      MET   1 -15.716   2.118  -9.742
  Start of MODEL    4
 2221    HE3  MET   1           HE1      MET   1 -18.177   2.553 -12.604
  Start of MODEL    4
 2222    HE2  MET   1           HE2      MET   1 -17.177   2.697 -14.050
  Start of MODEL    4
 2223    HE1  MET   1           HE3      MET   1 -17.247   4.023 -12.890
  Start of MODEL    4
 2224    H    SER   2           H        SER   2 -13.914   5.108  -7.505
  Start of MODEL    4
 2225    HA   SER   2           HA       SER   2 -14.156   8.037  -7.634
  Start of MODEL    4
 2226    HB3  SER   2           HB2      SER   2 -12.325   6.390  -5.871
  Start of MODEL    4
 2227    HB2  SER   2           HB3      SER   2 -13.916   6.970  -5.382
  Start of MODEL    4
 2228    HG   SER   2           HG       SER   2 -12.236   8.375  -4.707
  Start of MODEL    4
 2229    H    ALA   3           H        ALA   3 -13.281   8.612  -9.570
  Start of MODEL    4
 2230    HA   ALA   3           HA       ALA   3 -10.408   8.304  -9.862
  Start of MODEL    4
 2231    HB1  ALA   3           HB1      ALA   3 -12.278   7.334 -12.025
  Start of MODEL    4
 2232    HB3  ALA   3           HB2      ALA   3 -11.271   6.314 -10.997
  Start of MODEL    4
 2233    HB2  ALA   3           HB3      ALA   3 -10.520   7.429 -12.138
  Start of MODEL    4
 2234    H    GLY   4           H        GLY   4 -11.610  10.611  -9.227
  Start of MODEL    4
 2235    HA2  GLY   4           HA2      GLY   4 -11.944  12.129 -11.731
  Start of MODEL    4
 2236    HA3  GLY   4           HA3      GLY   4 -12.484  12.648 -10.143
  Start of MODEL    4
 2237    H    GLU   5           H        GLU   5 -10.208  13.157 -12.475
  Start of MODEL    4
 2238    HA   GLU   5           HA       GLU   5  -7.929  13.697 -10.813
  Start of MODEL    4
 2239    HB2  GLU   5           HB2      GLU   5  -8.437  14.557 -13.669
  Start of MODEL    4
 2240    HB3  GLU   5           HB3      GLU   5  -6.882  14.536 -12.843
  Start of MODEL    4
 2241    HG2  GLU   5           HG2      GLU   5  -6.821  12.175 -12.814
  Start of MODEL    4
 2242    HG3  GLU   5           HG3      GLU   5  -8.514  12.051 -13.286
  Start of MODEL    4
 2243    HA   PRO   6           HA       PRO   6  -9.676  17.757  -9.789
  Start of MODEL    4
 2244    HB2  PRO   6           HB2      PRO   6  -8.087  18.338  -7.720
  Start of MODEL    4
 2245    HB3  PRO   6           HB3      PRO   6  -9.322  17.074  -7.598
  Start of MODEL    4
 2246    HG2  PRO   6           HG2      PRO   6  -6.391  16.778  -8.183
  Start of MODEL    4
 2247    HG3  PRO   6           HG3      PRO   6  -7.365  15.928  -6.970
  Start of MODEL    4
 2248    HD2  PRO   6           HD2      PRO   6  -6.794  14.832  -9.370
  Start of MODEL    4
 2249    HD3  PRO   6           HD3      PRO   6  -8.348  14.552  -8.545
  Start of MODEL    4
 2250    H    HIS   7           H        HIS   7  -8.452  18.053 -12.073
  Start of MODEL    4
 2251    HA   HIS   7           HA       HIS   7  -7.044  19.268 -13.393
  Start of MODEL    4
 2252    HB2  HIS   7           HB2      HIS   7  -8.533  20.977 -12.203
  Start of MODEL    4
 2253    HB3  HIS   7           HB3      HIS   7  -7.137  21.328 -11.188
  Start of MODEL    4
 2254    HD1  HIS   7           HD1      HIS   7  -5.139  22.557 -12.301
  Start of MODEL    4
 2255    HD2  HIS   7           HD2      HIS   7  -8.398  21.966 -14.811
  Start of MODEL    4
 2256    HE1  HIS   7           HE1      HIS   7  -4.729  24.033 -14.295
  Start of MODEL    4
 2257    HE2  HIS   7           HE2      HIS   7  -6.754  23.722 -15.761
  Start of MODEL    4
 2258    H    GLU   8           H        GLU   8  -5.274  17.756 -13.047
  Start of MODEL    4
 2259    HA   GLU   8           HA       GLU   8  -3.051  18.953 -11.518
  Start of MODEL    4
 2260    HB3  GLU   8           HB2      GLU   8  -2.586  16.166 -12.013
  Start of MODEL    4
 2261    HB2  GLU   8           HB3      GLU   8  -4.192  16.344 -11.326
  Start of MODEL    4
 2262    HG3  GLU   8           HG2      GLU   8  -1.538  16.832 -10.107
  Start of MODEL    4
 2263    HG2  GLU   8           HG3      GLU   8  -2.982  16.080  -9.420
  Start of MODEL    4
 2264    H    THR   9           H        THR   9  -1.091  19.174 -12.521
  Start of MODEL    4
 2265    HA   THR   9           HA       THR   9  -1.034  19.352 -15.325
  Start of MODEL    4
 2266    HB   THR   9           HB       THR   9   0.405  20.723 -13.909
  Start of MODEL    4
 2267    HG1  THR   9           HG1      THR   9   1.311  20.658 -15.838
  Start of MODEL    4
 2268   HG21  THR   9          HG21      THR   9   0.977  18.943 -12.231
  Start of MODEL    4
 2269   HG23  THR   9          HG22      THR   9   2.322  19.945 -12.774
  Start of MODEL    4
 2270   HG22  THR   9          HG23      THR   9   2.127  18.313 -13.411
  Start of MODEL    4
 2271    H    ASP  10           H        ASP  10   0.227  16.850 -13.142
  Start of MODEL    4
 2272    HA   ASP  10           HA       ASP  10   0.620  15.114 -15.498
  Start of MODEL    4
 2273    HB3  ASP  10           HB2      ASP  10   2.448  13.989 -14.199
  Start of MODEL    4
 2274    HB2  ASP  10           HB3      ASP  10   2.305  15.261 -12.986
  Start of MODEL    4
 2275    H    CYS  11           H        CYS  11  -0.046  12.983 -15.321
  Start of MODEL    4
 2276    HA   CYS  11           HA       CYS  11  -1.317  12.156 -12.801
  Start of MODEL    4
 2277    HB3  CYS  11           HB2      CYS  11  -2.800  11.345 -15.217
  Start of MODEL    4
 2278    HB2  CYS  11           HB3      CYS  11  -2.812  13.078 -14.919
  Start of MODEL    4
 2279    H    SER  12           H        SER  12  -0.715  10.976 -16.145
  Start of MODEL    4
 2280    HA   SER  12           HA       SER  12  -0.353   8.282 -15.227
  Start of MODEL    4
 2281    HB3  SER  12           HB2      SER  12   0.303   7.814 -17.591
  Start of MODEL    4
 2282    HB2  SER  12           HB3      SER  12   0.113   9.534 -17.930
  Start of MODEL    4
 2283    HG   SER  12           HG       SER  12  -1.778   8.324 -18.427
  Start of MODEL    4
 2284    H    GLU  13           H        GLU  13   1.775  10.943 -16.092
  Start of MODEL    4
 2285    HA   GLU  13           HA       GLU  13   4.170   9.493 -16.294
  Start of MODEL    4
 2286    HB2  GLU  13           HB2      GLU  13   3.777  12.331 -15.390
  Start of MODEL    4
 2287    HB3  GLU  13           HB3      GLU  13   5.310  11.633 -15.874
  Start of MODEL    4
 2288    HG3  GLU  13           HG2      GLU  13   2.901  12.197 -17.576
  Start of MODEL    4
 2289    HG2  GLU  13           HG3      GLU  13   4.230  11.172 -18.116
  Start of MODEL    4
 2290    H    ILE  14           H        ILE  14   2.419  10.783 -13.562
  Start of MODEL    4
 2291    HA   ILE  14           HA       ILE  14   4.425  10.340 -11.577
  Start of MODEL    4
 2292    HB   ILE  14           HB       ILE  14   1.400  10.527 -11.416
  Start of MODEL    4
 2293   HD12  ILE  14          HD11      ILE  14   3.202  13.908  -9.829
  Start of MODEL    4
 2294   HD11  ILE  14          HD12      ILE  14   3.583  12.336  -9.135
  Start of MODEL    4
 2295   HD13  ILE  14          HD13      ILE  14   1.917  12.919  -9.137
  Start of MODEL    4
 2296    H    LEU  15           H        LEU  15   1.852   8.283 -13.018
  Start of MODEL    4
 2297    HA   LEU  15           HA       LEU  15   2.394   6.094 -11.303
  Start of MODEL    4
 2298    HB2  LEU  15           HB2      LEU  15   1.592   5.637 -14.148
  Start of MODEL    4
 2299    HB3  LEU  15           HB3      LEU  15   1.041   4.831 -12.695
  Start of MODEL    4
 2300    HG   LEU  15           HG       LEU  15   0.224   7.644 -13.401
  Start of MODEL    4
 2301   HD11  LEU  15          HD11      LEU  15  -1.138   5.046 -14.071
  Start of MODEL    4
 2302   HD13  LEU  15          HD12      LEU  15  -0.521   6.251 -15.202
  Start of MODEL    4
 2303   HD12  LEU  15          HD13      LEU  15  -1.902   6.633 -14.174
  Start of MODEL    4
 2304   HD21  LEU  15          HD21      LEU  15  -0.049   7.100 -11.067
  Start of MODEL    4
 2305   HD23  LEU  15          HD22      LEU  15  -0.890   5.607 -11.482
  Start of MODEL    4
 2306   HD22  LEU  15          HD23      LEU  15  -1.629   7.167 -11.849
  Start of MODEL    4
 2307    H    ASP  16           H        ASP  16   3.354   6.889 -14.682
  Start of MODEL    4
 2308    HA   ASP  16           HA       ASP  16   5.218   4.990 -15.171
  Start of MODEL    4
 2309    HB3  ASP  16           HB2      ASP  16   5.759   7.875 -15.852
  Start of MODEL    4
 2310    HB2  ASP  16           HB3      ASP  16   4.448   6.978 -16.611
  Start of MODEL    4
 2311    H    HIS  17           H        HIS  17   5.540   7.526 -12.754
  Start of MODEL    4
 2312    HA   HIS  17           HA       HIS  17   8.393   7.355 -12.540
  Start of MODEL    4
 2313    HB2  HIS  17           HB2      HIS  17   6.267   8.307 -10.576
  Start of MODEL    4
 2314    HB3  HIS  17           HB3      HIS  17   7.991   8.479 -10.327
  Start of MODEL    4
 2315    HD1  HIS  17           HD1      HIS  17   6.615  10.946 -10.058
  Start of MODEL    4
 2316    HD2  HIS  17           HD2      HIS  17   7.700   9.575 -13.823
  Start of MODEL    4
 2317    HE1  HIS  17           HE1      HIS  17   6.683  12.982 -11.495
  Start of MODEL    4
 2318    HE2  HIS  17           HE2      HIS  17   7.452  12.156 -13.761
  Start of MODEL    4
 2319    H    LEU  18           H        LEU  18   5.699   6.440 -10.440
  Start of MODEL    4
 2320    HA   LEU  18           HA       LEU  18   6.954   4.851  -8.622
  Start of MODEL    4
 2321    HB2  LEU  18           HB2      LEU  18   4.204   4.737  -9.790
  Start of MODEL    4
 2322    HB3  LEU  18           HB3      LEU  18   4.706   3.508  -8.645
  Start of MODEL    4
 2323    HG   LEU  18           HG       LEU  18   5.238   5.360  -7.022
  Start of MODEL    4
 2324   HD13  LEU  18          HD11      LEU  18   5.474   7.190  -8.595
  Start of MODEL    4
 2325   HD12  LEU  18          HD12      LEU  18   4.184   7.541  -7.440
  Start of MODEL    4
 2326   HD11  LEU  18          HD13      LEU  18   3.779   7.016  -9.074
  Start of MODEL    4
 2327   HD21  LEU  18          HD21      LEU  18   2.604   4.452  -7.921
  Start of MODEL    4
 2328   HD23  LEU  18          HD22      LEU  18   2.571   5.952  -6.997
  Start of MODEL    4
 2329   HD22  LEU  18          HD23      LEU  18   3.298   4.505  -6.301
  Start of MODEL    4
 2330    H    TYR  19           H        TYR  19   6.499   3.973 -11.969
  Start of MODEL    4
 2331    HA   TYR  19           HA       TYR  19   6.898   1.160 -11.385
  Start of MODEL    4
 2332    HB3  TYR  19           HB2      TYR  19   6.969   2.283 -14.170
  Start of MODEL    4
 2333    HB2  TYR  19           HB3      TYR  19   5.444   2.173 -13.306
  Start of MODEL    4
 2334    HD1  TYR  19           HD1      TYR  19   8.357   0.132 -14.370
  Start of MODEL    4
 2335    HD2  TYR  19           HD2      TYR  19   4.211   0.129 -13.329
  Start of MODEL    4
 2336    HE1  TYR  19           HE1      TYR  19   8.197  -2.220 -15.042
  Start of MODEL    4
 2337    HE2  TYR  19           HE2      TYR  19   4.054  -2.228 -14.006
  Start of MODEL    4
 2338    HH   TYR  19           HH       TYR  19   6.209  -4.250 -14.188
  Start of MODEL    4
 2339    H    GLU  20           H        GLU  20   8.619   3.391 -13.609
  Start of MODEL    4
 2340    HA   GLU  20           HA       GLU  20  10.964   1.777 -13.608
  Start of MODEL    4
 2341    HB2  GLU  20           HB2      GLU  20  10.846   4.688 -14.401
  Start of MODEL    4
 2342    HB3  GLU  20           HB3      GLU  20  11.969   3.462 -14.975
  Start of MODEL    4
 2343    HG3  GLU  20           HG2      GLU  20   9.036   3.695 -15.588
  Start of MODEL    4
 2344    HG2  GLU  20           HG3      GLU  20  10.011   2.287 -16.008
  Start of MODEL    4
 2345    H    PHE  21           H        PHE  21   9.954   4.526 -11.733
  Start of MODEL    4
 2346    HA   PHE  21           HA       PHE  21  12.451   5.242 -10.595
  Start of MODEL    4
 2347    HB3  PHE  21           HB2      PHE  21   9.822   5.608  -9.179
  Start of MODEL    4
 2348    HB2  PHE  21           HB3      PHE  21  10.123   6.485 -10.669
  Start of MODEL    4
 2349    HD1  PHE  21           HD1      PHE  21  11.820   5.767  -7.441
  Start of MODEL    4
 2350    HD2  PHE  21           HD2      PHE  21  10.916   8.591 -10.483
  Start of MODEL    4
 2351    HE1  PHE  21           HE1      PHE  21  13.023   7.515  -6.171
  Start of MODEL    4
 2352    HE2  PHE  21           HE2      PHE  21  12.112  10.342  -9.233
  Start of MODEL    4
 2353    HZ   PHE  21           HZ       PHE  21  13.164   9.806  -7.071
  Start of MODEL    4
 2354    H    LEU  22           H        LEU  22   9.755   3.388  -9.518
  Start of MODEL    4
 2355    HA   LEU  22           HA       LEU  22  10.887   2.587  -7.021
  Start of MODEL    4
 2356    HB3  LEU  22           HB2      LEU  22   8.536   1.469  -8.512
  Start of MODEL    4
 2357    HB2  LEU  22           HB3      LEU  22   8.494   2.835  -7.415
  Start of MODEL    4
 2358    HG   LEU  22           HG       LEU  22   8.987  -0.057  -6.734
  Start of MODEL    4
 2359   HD11  LEU  22          HD11      LEU  22   6.661   0.515  -7.076
  Start of MODEL    4
 2360   HD13  LEU  22          HD12      LEU  22   6.812   1.891  -5.981
  Start of MODEL    4
 2361   HD12  LEU  22          HD13      LEU  22   6.966   0.248  -5.359
  Start of MODEL    4
 2362   HD21  LEU  22          HD21      LEU  22   9.252   2.385  -5.000
  Start of MODEL    4
 2363   HD23  LEU  22          HD22      LEU  22  10.481   1.172  -5.349
  Start of MODEL    4
 2364   HD22  LEU  22          HD23      LEU  22   9.080   0.748  -4.368
  Start of MODEL    4
 2365    H    ASP  23           H        ASP  23  10.315   0.762 -10.073
  Start of MODEL    4
 2366    HA   ASP  23           HA       ASP  23  11.627  -1.560  -8.996
  Start of MODEL    4
 2367    HB2  ASP  23           HB2      ASP  23   9.755  -1.085 -10.987
  Start of MODEL    4
 2368    HB3  ASP  23           HB3      ASP  23  11.197  -1.569 -11.878
  Start of MODEL    4
 2369    H    LYS  24           H        LYS  24  12.515   0.884 -11.444
  Start of MODEL    4
 2370    HA   LYS  24           HA       LYS  24  14.995  -0.545 -11.920
  Start of MODEL    4
 2371    HB2  LYS  24           HB2      LYS  24  13.426   1.486 -13.391
  Start of MODEL    4
 2372    HB3  LYS  24           HB3      LYS  24  15.163   1.469 -13.662
  Start of MODEL    4
 2373    HG3  LYS  24           HG2      LYS  24  14.783  -1.092 -14.030
  Start of MODEL    4
 2374    HG2  LYS  24           HG3      LYS  24  14.439   0.065 -15.317
  Start of MODEL    4
 2375    HD3  LYS  24           HD2      LYS  24  12.108  -0.042 -14.932
  Start of MODEL    4
 2376    HD2  LYS  24           HD3      LYS  24  12.323  -0.860 -13.384
  Start of MODEL    4
 2377    HE2  LYS  24           HE2      LYS  24  12.983  -2.017 -16.091
  Start of MODEL    4
 2378    HE3  LYS  24           HE3      LYS  24  13.182  -2.834 -14.542
  Start of MODEL    4
 2379    HZ3  LYS  24           HZ1      LYS  24  10.792  -2.698 -14.203
  Start of MODEL    4
 2380    HZ2  LYS  24           HZ2      LYS  24  11.145  -3.514 -15.641
  Start of MODEL    4
 2381    HZ1  LYS  24           HZ3      LYS  24  10.602  -1.912 -15.691
  Start of MODEL    4
 2382    H    GLU  25           H        GLU  25  14.002   2.578 -10.536
  Start of MODEL    4
 2383    HA   GLU  25           HA       GLU  25  16.639   3.631 -10.552
  Start of MODEL    4
 2384    HB2  GLU  25           HB2      GLU  25  14.265   4.795 -10.202
  Start of MODEL    4
 2385    HB3  GLU  25           HB3      GLU  25  14.728   4.640  -8.515
  Start of MODEL    4
 2386    HG3  GLU  25           HG2      GLU  25  16.351   5.998 -10.658
  Start of MODEL    4
 2387    HG2  GLU  25           HG3      GLU  25  16.787   5.864  -8.955
  Start of MODEL    4
 2388    H    MET  26           H        MET  26  14.722   2.733  -7.644
  Start of MODEL    4
 2389    HA   MET  26           HA       MET  26  16.567   1.005  -6.501
  Start of MODEL    4
 2390    HB2  MET  26           HB2      MET  26  17.413   3.757  -6.329
  Start of MODEL    4
 2391    HB3  MET  26           HB3      MET  26  17.088   3.142  -4.718
  Start of MODEL    4
 2392    HG2  MET  26           HG2      MET  26  18.821   1.660  -6.667
  Start of MODEL    4
 2393    HG3  MET  26           HG3      MET  26  19.455   2.914  -5.606
  Start of MODEL    4
 2394    HE1  MET  26           HE1      MET  26  21.207   1.251  -4.534
  Start of MODEL    4
 2395    HE3  MET  26           HE2      MET  26  20.639  -0.011  -5.627
  Start of MODEL    4
 2396    HE2  MET  26           HE3      MET  26  20.783  -0.339  -3.900
  Start of MODEL    4
 2397    HA   PRO  27           HA       PRO  27  12.366   0.750  -4.653
  Start of MODEL    4
 2398    HB3  PRO  27           HB2      PRO  27  12.344  -1.434  -3.847
  Start of MODEL    4
 2399    HB2  PRO  27           HB3      PRO  27  14.038  -1.363  -3.322
  Start of MODEL    4
 2400    HG2  PRO  27           HG2      PRO  27  14.280  -2.495  -5.345
  Start of MODEL    4
 2401    HG3  PRO  27           HG3      PRO  27  12.917  -1.641  -6.091
  Start of MODEL    4
 2402    HD3  PRO  27           HD2      PRO  27  14.527  -0.304  -7.016
  Start of MODEL    4
 2403    HD2  PRO  27           HD3      PRO  27  15.745  -0.811  -5.826
  Start of MODEL    4
 2404    H    ASP  28           H        ASP  28  15.387   0.547  -2.711
  Start of MODEL    4
 2405    HA   ASP  28           HA       ASP  28  13.969   1.670  -0.420
  Start of MODEL    4
 2406    HB3  ASP  28           HB2      ASP  28  15.456  -0.197   0.039
  Start of MODEL    4
 2407    HB2  ASP  28           HB3      ASP  28  16.072   1.253   0.824
  Start of MODEL    4
 2408    H    SER  29           H        SER  29  16.619   2.590  -2.598
  Start of MODEL    4
 2409    HA   SER  29           HA       SER  29  16.912   5.150  -1.259
  Start of MODEL    4
 2410    HB3  SER  29           HB2      SER  29  18.307   5.043  -3.770
  Start of MODEL    4
 2411    HB2  SER  29           HB3      SER  29  18.582   3.548  -2.875
  Start of MODEL    4
 2412    HG   SER  29           HG       SER  29  19.284   6.174  -2.227
  Start of MODEL    4
 2413    H    ASP  30           H        ASP  30  14.351   4.925  -2.076
  Start of MODEL    4
 2414    HA   ASP  30           HA       ASP  30  14.191   6.904  -4.236
  Start of MODEL    4
 2415    HB2  ASP  30           HB2      ASP  30  12.215   5.769  -5.162
  Start of MODEL    4
 2416    HB3  ASP  30           HB3      ASP  30  13.651   4.764  -5.230
  Start of MODEL    4
 2417    H    ALA  31           H        ALA  31  12.948   5.657  -1.215
  Start of MODEL    4
 2418    HA   ALA  31           HA       ALA  31  10.515   7.009  -1.065
  Start of MODEL    4
 2419    HB1  ALA  31           HB1      ALA  31  12.120   5.517   0.679
  Start of MODEL    4
 2420    HB3  ALA  31           HB2      ALA  31  10.455   6.040   0.916
  Start of MODEL    4
 2421    HB2  ALA  31           HB3      ALA  31  11.782   7.041   1.499
  Start of MODEL    4
 2422    H    VAL  32           H        VAL  32  13.765   8.208  -0.171
  Start of MODEL    4
 2423    HA   VAL  32           HA       VAL  32  12.847  10.722   0.760
  Start of MODEL    4
 2424    HB   VAL  32           HB       VAL  32  15.597  10.104  -0.267
  Start of MODEL    4
 2425    H    LYS  33           H        LYS  33  13.675   9.514  -2.409
  Start of MODEL    4
 2426    HA   LYS  33           HA       LYS  33  13.595  12.185  -3.581
  Start of MODEL    4
 2427    HB3  LYS  33           HB2      LYS  33  14.253  11.136  -5.635
  Start of MODEL    4
 2428    HB2  LYS  33           HB3      LYS  33  13.849   9.540  -5.022
  Start of MODEL    4
 2429    HG3  LYS  33           HG2      LYS  33  16.196   9.676  -4.994
  Start of MODEL    4
 2430    HG2  LYS  33           HG3      LYS  33  15.681   9.854  -3.314
  Start of MODEL    4
 2431    HD3  LYS  33           HD2      LYS  33  15.939  12.277  -3.481
  Start of MODEL    4
 2432    HD2  LYS  33           HD3      LYS  33  16.413  12.121  -5.174
  Start of MODEL    4
 2433    HE2  LYS  33           HE2      LYS  33  17.898  10.961  -2.817
  Start of MODEL    4
 2434    HE3  LYS  33           HE3      LYS  33  18.373  10.819  -4.509
  Start of MODEL    4
 2435    HZ2  LYS  33           HZ1      LYS  33  19.599  12.570  -3.392
  Start of MODEL    4
 2436    HZ1  LYS  33           HZ2      LYS  33  18.160  13.359  -2.984
  Start of MODEL    4
 2437    HZ3  LYS  33           HZ3      LYS  33  18.616  13.222  -4.606
  Start of MODEL    4
 2438    H    PHE  34           H        PHE  34  11.506   9.680  -2.752
  Start of MODEL    4
 2439    HA   PHE  34           HA       PHE  34   9.568   9.987  -4.835
  Start of MODEL    4
 2440    HB3  PHE  34           HB2      PHE  34   8.182   8.760  -2.864
  Start of MODEL    4
 2441    HB2  PHE  34           HB3      PHE  34   9.816   8.427  -2.314
  Start of MODEL    4
 2442    HD1  PHE  34           HD1      PHE  34   9.316   6.054  -2.517
  Start of MODEL    4
 2443    HD2  PHE  34           HD2      PHE  34   9.247   8.620  -5.917
  Start of MODEL    4
 2444    HE1  PHE  34           HE1      PHE  34   9.350   4.101  -3.994
  Start of MODEL    4
 2445    HE2  PHE  34           HE2      PHE  34   9.292   6.669  -7.392
  Start of MODEL    4
 2446    HZ   PHE  34           HZ       PHE  34   9.347   4.401  -6.437
  Start of MODEL    4
 2447    H    GLU  35           H        GLU  35  10.406  12.024  -2.308
  Start of MODEL    4
 2448    HA   GLU  35           HA       GLU  35   7.630  12.863  -1.825
  Start of MODEL    4
 2449    HB2  GLU  35           HB2      GLU  35   9.943  12.769  -0.201
  Start of MODEL    4
 2450    HB3  GLU  35           HB3      GLU  35   9.594  14.475  -0.440
  Start of MODEL    4
 2451    HG2  GLU  35           HG2      GLU  35   7.325  14.140   0.376
  Start of MODEL    4
 2452    HG3  GLU  35           HG3      GLU  35   7.647  12.419   0.581
  Start of MODEL    4
 2453    H    HIS  36           H        HIS  36   9.871  13.501  -4.118
  Start of MODEL    4
 2454    HA   HIS  36           HA       HIS  36   9.388  16.396  -4.242
  Start of MODEL    4
 2455    HB3  HIS  36           HB2      HIS  36  11.172  16.501  -5.840
  Start of MODEL    4
 2456    HB2  HIS  36           HB3      HIS  36  11.160  14.753  -6.058
  Start of MODEL    4
 2457    HD1  HIS  36           HD1      HIS  36  11.792  17.142  -3.149
  Start of MODEL    4
 2458    HD2  HIS  36           HD2      HIS  36  13.116  13.554  -4.764
  Start of MODEL    4
 2459    HE1  HIS  36           HE1      HIS  36  13.711  16.424  -1.688
  Start of MODEL    4
 2460    HE2  HIS  36           HE2      HIS  36  14.439  14.200  -2.628
  Start of MODEL    4
 2461    H    HIS  37           H        HIS  37   9.004  13.439  -6.136
  Start of MODEL    4
 2462    HA   HIS  37           HA       HIS  37   7.563  14.802  -8.256
  Start of MODEL    4
 2463    HB2  HIS  37           HB2      HIS  37   7.825  11.823  -8.039
  Start of MODEL    4
 2464    HB3  HIS  37           HB3      HIS  37   7.770  12.835  -9.483
  Start of MODEL    4
 2465    HD1  HIS  37           HD1      HIS  37   9.974  14.019 -10.137
  Start of MODEL    4
 2466    HD2  HIS  37           HD2      HIS  37  10.256  11.465  -6.882
  Start of MODEL    4
 2467    HE1  HIS  37           HE1      HIS  37  12.408  13.737  -9.722
  Start of MODEL    4
 2468    HE2  HIS  37           HE2      HIS  37  12.587  12.275  -7.685
  Start of MODEL    4
 2469    H    PHE  38           H        PHE  38   6.933  12.853  -5.460
  Start of MODEL    4
 2470    HA   PHE  38           HA       PHE  38   4.254  12.120  -6.141
  Start of MODEL    4
 2471    HB2  PHE  38           HB2      PHE  38   5.885  11.975  -3.608
  Start of MODEL    4
 2472    HB3  PHE  38           HB3      PHE  38   4.220  11.423  -3.679
  Start of MODEL    4
 2473    HD1  PHE  38           HD1      PHE  38   5.321   9.213  -2.864
  Start of MODEL    4
 2474    HD2  PHE  38           HD2      PHE  38   6.013  10.881  -6.776
  Start of MODEL    4
 2475    HE1  PHE  38           HE1      PHE  38   6.063   7.033  -3.681
  Start of MODEL    4
 2476    HE2  PHE  38           HE2      PHE  38   6.712   8.669  -7.571
  Start of MODEL    4
 2477    HZ   PHE  38           HZ       PHE  38   6.739   6.750  -6.032
  Start of MODEL    4
 2478    H    GLU  39           H        GLU  39   5.701  14.936  -4.779
  Start of MODEL    4
 2479    HA   GLU  39           HA       GLU  39   3.249  15.827  -3.487
  Start of MODEL    4
 2480    HB3  GLU  39           HB2      GLU  39   4.750  17.943  -3.137
  Start of MODEL    4
 2481    HB2  GLU  39           HB3      GLU  39   6.054  16.868  -3.623
  Start of MODEL    4
 2482    HG3  GLU  39           HG2      GLU  39   5.698  15.439  -1.778
  Start of MODEL    4
 2483    HG2  GLU  39           HG3      GLU  39   4.152  16.195  -1.400
  Start of MODEL    4
 2484    H    GLU  40           H        GLU  40   5.201  16.663  -6.337
  Start of MODEL    4
 2485    HA   GLU  40           HA       GLU  40   4.007  19.044  -7.062
  Start of MODEL    4
 2486    HB2  GLU  40           HB2      GLU  40   4.576  18.370  -9.467
  Start of MODEL    4
 2487    HB3  GLU  40           HB3      GLU  40   5.892  18.471  -8.307
  Start of MODEL    4
 2488    HG2  GLU  40           HG2      GLU  40   5.965  16.081  -8.097
  Start of MODEL    4
 2489    HG3  GLU  40           HG3      GLU  40   4.541  15.904  -9.118
  Start of MODEL    4
 2490    H    SER  41           H        SER  41   2.959  15.796  -8.174
  Start of MODEL    4
 2491    HA   SER  41           HA       SER  41   0.331  16.995  -8.761
  Start of MODEL    4
 2492    HB2  SER  41           HB2      SER  41   0.735  14.572 -10.258
  Start of MODEL    4
 2493    HB3  SER  41           HB3      SER  41   0.378  16.194 -10.846
  Start of MODEL    4
 2494    HG   SER  41           HG       SER  41   2.488  16.599 -11.095
  Start of MODEL    4
 2495    H    SER  42           H        SER  42   0.679  16.191  -6.271
  Start of MODEL    4
 2496    HA   SER  42           HA       SER  42   0.202  13.477  -5.708
  Start of MODEL    4
 2497    HB3  SER  42           HB2      SER  42  -0.853  15.615  -3.898
  Start of MODEL    4
 2498    HB2  SER  42           HB3      SER  42   0.888  15.496  -4.152
  Start of MODEL    4
 2499    HG   SER  42           HG       SER  42   0.282  14.231  -2.391
  Start of MODEL    4
 2500    HA   PRO  43           HA       PRO  43  -4.510  14.962  -5.475
  Start of MODEL    4
 2501    HB2  PRO  43           HB2      PRO  43  -4.433  16.871  -7.717
  Start of MODEL    4
 2502    HB3  PRO  43           HB3      PRO  43  -5.332  16.947  -6.201
  Start of MODEL    4
 2503    HG3  PRO  43           HG2      PRO  43  -3.482  17.671  -4.993
  Start of MODEL    4
 2504    HG2  PRO  43           HG3      PRO  43  -3.200  18.478  -6.548
  Start of MODEL    4
 2505    HD2  PRO  43           HD2      PRO  43  -1.613  16.905  -7.211
  Start of MODEL    4
 2506    HD3  PRO  43           HD3      PRO  43  -1.326  16.933  -5.458
  Start of MODEL    4
 2507    H    CYS  44           H        CYS  44  -2.568  14.165  -8.248
  Start of MODEL    4
 2508    HA   CYS  44           HA       CYS  44  -4.912  13.141  -9.703
  Start of MODEL    4
 2509    HB2  CYS  44           HB2      CYS  44  -2.391  14.163 -10.563
  Start of MODEL    4
 2510    HB3  CYS  44           HB3      CYS  44  -2.408  12.450 -10.965
  Start of MODEL    4
 2511    H    LEU  45           H        LEU  45  -1.999  12.169  -8.081
  Start of MODEL    4
 2512    HA   LEU  45           HA       LEU  45  -2.552   9.347  -8.492
  Start of MODEL    4
 2513    HB2  LEU  45           HB2      LEU  45  -0.484   8.891  -7.552
  Start of MODEL    4
 2514    HB3  LEU  45           HB3      LEU  45  -0.206  10.444  -8.305
  Start of MODEL    4
 2515    HG   LEU  45           HG       LEU  45  -0.864  11.258  -5.798
  Start of MODEL    4
 2516   HD13  LEU  45          HD11      LEU  45   1.923  10.339  -6.463
  Start of MODEL    4
 2517   HD12  LEU  45          HD12      LEU  45   1.427  11.710  -5.470
  Start of MODEL    4
 2518   HD11  LEU  45          HD13      LEU  45   1.186  11.757  -7.215
  Start of MODEL    4
 2519   HD21  LEU  45          HD21      LEU  45  -1.063   8.867  -5.105
  Start of MODEL    4
 2520   HD23  LEU  45          HD22      LEU  45   0.053   9.837  -4.153
  Start of MODEL    4
 2521   HD22  LEU  45          HD23      LEU  45   0.671   8.718  -5.365
  Start of MODEL    4
 2522    H    GLU  46           H        GLU  46  -3.604  11.861  -6.527
  Start of MODEL    4
 2523    HA   GLU  46           HA       GLU  46  -3.847  10.601  -4.058
  Start of MODEL    4
 2524    HB3  GLU  46           HB2      GLU  46  -5.874  12.633  -4.848
  Start of MODEL    4
 2525    HB2  GLU  46           HB3      GLU  46  -4.183  13.100  -4.785
  Start of MODEL    4
 2526    HG3  GLU  46           HG2      GLU  46  -4.404  11.794  -2.459
  Start of MODEL    4
 2527    HG2  GLU  46           HG3      GLU  46  -6.044  12.423  -2.618
  Start of MODEL    4
 2528    H    LYS  47           H        LYS  47  -6.658  10.989  -6.480
  Start of MODEL    4
 2529    HA   LYS  47           HA       LYS  47  -8.066   9.120  -4.827
  Start of MODEL    4
 2530    HB3  LYS  47           HB2      LYS  47  -9.993   9.702  -6.141
  Start of MODEL    4
 2531    HB2  LYS  47           HB3      LYS  47  -8.992  10.523  -7.329
  Start of MODEL    4
 2532    HG3  LYS  47           HG2      LYS  47  -8.886  11.469  -4.512
  Start of MODEL    4
 2533    HG2  LYS  47           HG3      LYS  47 -10.321  11.839  -5.471
  Start of MODEL    4
 2534    HD3  LYS  47           HD2      LYS  47  -8.757  12.738  -7.240
  Start of MODEL    4
 2535    HD2  LYS  47           HD3      LYS  47  -7.464  12.593  -6.052
  Start of MODEL    4
 2536    HE3  LYS  47           HE2      LYS  47  -9.857  13.986  -5.076
  Start of MODEL    4
 2537    HE2  LYS  47           HE3      LYS  47  -9.031  14.800  -6.401
  Start of MODEL    4
 2538    HZ3  LYS  47           HZ1      LYS  47  -7.793  13.949  -3.838
  Start of MODEL    4
 2539    HZ2  LYS  47           HZ2      LYS  47  -8.175  15.536  -4.281
  Start of MODEL    4
 2540    HZ1  LYS  47           HZ3      LYS  47  -6.972  14.693  -5.118
  Start of MODEL    4
 2541    H    TYR  48           H        TYR  48  -5.824   8.637  -7.097
  Start of MODEL    4
 2542    HA   TYR  48           HA       TYR  48  -7.262   6.620  -8.625
  Start of MODEL    4
 2543    HB2  TYR  48           HB2      TYR  48  -4.573   7.892  -8.757
  Start of MODEL    4
 2544    HB3  TYR  48           HB3      TYR  48  -4.680   6.220  -9.307
  Start of MODEL    4
 2545    HD1  TYR  48           HD1      TYR  48  -5.150   5.859 -11.533
  Start of MODEL    4
 2546    HD2  TYR  48           HD2      TYR  48  -6.514   9.457  -9.717
  Start of MODEL    4
 2547    HE1  TYR  48           HE1      TYR  48  -6.011   6.614 -13.705
  Start of MODEL    4
 2548    HE2  TYR  48           HE2      TYR  48  -7.373  10.230 -11.890
  Start of MODEL    4
 2549    HH   TYR  48           HH       TYR  48  -6.543   9.387 -14.611
  Start of MODEL    4
 2550    H    GLY  49           H        GLY  49  -6.024   6.923  -5.601
  Start of MODEL    4
 2551    HA3  GLY  49           HA2      GLY  49  -5.966   4.061  -5.191
  Start of MODEL    4
 2552    HA2  GLY  49           HA3      GLY  49  -5.884   5.305  -3.953
  Start of MODEL    4
 2553    H    LEU  50           H        LEU  50  -3.714   6.760  -5.108
  Start of MODEL    4
 2554    HA   LEU  50           HA       LEU  50  -1.530   4.823  -4.776
  Start of MODEL    4
 2555    HB3  LEU  50           HB2      LEU  50  -0.365   7.032  -5.909
  Start of MODEL    4
 2556    HB2  LEU  50           HB3      LEU  50  -1.946   7.026  -6.660
  Start of MODEL    4
 2557    HG   LEU  50           HG       LEU  50   0.239   4.974  -6.855
  Start of MODEL    4
 2558   HD11  LEU  50          HD11      LEU  50   0.256   6.744  -8.487
  Start of MODEL    4
 2559   HD13  LEU  50          HD12      LEU  50  -1.445   6.465  -8.858
  Start of MODEL    4
 2560   HD12  LEU  50          HD13      LEU  50  -0.241   5.240  -9.264
  Start of MODEL    4
 2561   HD23  LEU  50          HD21      LEU  50  -1.663   3.620  -6.355
  Start of MODEL    4
 2562   HD22  LEU  50          HD22      LEU  50  -1.394   3.541  -8.094
  Start of MODEL    4
 2563   HD21  LEU  50          HD23      LEU  50  -2.687   4.552  -7.447
  Start of MODEL    4
 2564    H    GLU  51           H        GLU  51  -2.571   8.164  -3.882
  Start of MODEL    4
 2565    HA   GLU  51           HA       GLU  51  -0.382   8.959  -2.439
  Start of MODEL    4
 2566    HB3  GLU  51           HB2      GLU  51  -2.384   9.807  -0.775
  Start of MODEL    4
 2567    HB2  GLU  51           HB3      GLU  51  -3.268   9.511  -2.266
  Start of MODEL    4
 2568    HG2  GLU  51           HG2      GLU  51  -1.590  10.937  -3.444
  Start of MODEL    4
 2569    HG3  GLU  51           HG3      GLU  51  -2.613  11.778  -2.285
  Start of MODEL    4
 2570    H    GLN  52           H        GLN  52  -3.110   7.228  -1.116
  Start of MODEL    4
 2571    HA   GLN  52           HA       GLN  52  -2.200   6.646   1.429
  Start of MODEL    4
 2572    HB3  GLN  52           HB2      GLN  52  -3.859   5.014   1.607
  Start of MODEL    4
 2573    HB2  GLN  52           HB3      GLN  52  -3.660   4.489  -0.057
  Start of MODEL    4
 2574    HG2  GLN  52           HG2      GLN  52  -4.558   7.203  -0.008
  Start of MODEL    4
 2575    HG3  GLN  52           HG3      GLN  52  -5.304   5.784  -0.736
  Start of MODEL    4
 2576   HE21  GLN  52          HE21      GLN  52  -7.336   5.596  -0.094
  Start of MODEL    4
 2577   HE22  GLN  52          HE22      GLN  52  -7.930   5.888   1.501
  Start of MODEL    4
 2578    H    ALA  53           H        ALA  53  -1.425   5.037  -1.594
  Start of MODEL    4
 2579    HA   ALA  53           HA       ALA  53   0.146   2.995  -0.292
  Start of MODEL    4
 2580    HB1  ALA  53           HB1      ALA  53  -1.107   2.607  -2.426
  Start of MODEL    4
 2581    HB3  ALA  53           HB2      ALA  53   0.585   2.104  -2.443
  Start of MODEL    4
 2582    HB2  ALA  53           HB3      ALA  53   0.101   3.606  -3.236
  Start of MODEL    4
 2583    H    VAL  54           H        VAL  54   0.940   5.730  -2.516
  Start of MODEL    4
 2584    HA   VAL  54           HA       VAL  54   3.693   5.442  -2.394
  Start of MODEL    4
 2585    HB   VAL  54           HB       VAL  54   3.902   7.593  -3.349
  Start of MODEL    4
 2586    H    LYS  55           H        LYS  55   1.545   7.317  -0.254
  Start of MODEL    4
 2587    HA   LYS  55           HA       LYS  55   3.497   8.660   1.239
  Start of MODEL    4
 2588    HB3  LYS  55           HB2      LYS  55   1.827   8.790   3.016
  Start of MODEL    4
 2589    HB2  LYS  55           HB3      LYS  55   0.926   7.463   2.298
  Start of MODEL    4
 2590    HG2  LYS  55           HG2      LYS  55   1.006   9.226   0.229
  Start of MODEL    4
 2591    HG3  LYS  55           HG3      LYS  55  -0.330   9.058   1.375
  Start of MODEL    4
 2592    HD2  LYS  55           HD2      LYS  55   2.000  10.875   1.947
  Start of MODEL    4
 2593    HD3  LYS  55           HD3      LYS  55   0.679  11.408   0.908
  Start of MODEL    4
 2594    HE2  LYS  55           HE2      LYS  55  -0.920  10.951   2.714
  Start of MODEL    4
 2595    HE3  LYS  55           HE3      LYS  55   0.409  10.441   3.754
  Start of MODEL    4
 2596    HZ1  LYS  55           HZ1      LYS  55   0.047  13.160   2.613
  Start of MODEL    4
 2597    HZ3  LYS  55           HZ2      LYS  55   1.335  12.673   3.594
  Start of MODEL    4
 2598    HZ2  LYS  55           HZ3      LYS  55  -0.234  12.713   4.220
  Start of MODEL    4
 2599    H    LYS  56           H        LYS  56   2.243   5.467   1.384
  Start of MODEL    4
 2600    HA   LYS  56           HA       LYS  56   3.587   4.580   3.727
  Start of MODEL    4
 2601    HB3  LYS  56           HB2      LYS  56   3.094   2.258   2.466
  Start of MODEL    4
 2602    HB2  LYS  56           HB3      LYS  56   1.989   3.311   1.606
  Start of MODEL    4
 2603    HG2  LYS  56           HG2      LYS  56   0.595   2.652   3.255
  Start of MODEL    4
 2604    HG3  LYS  56           HG3      LYS  56   1.908   2.360   4.390
  Start of MODEL    4
 2605    HD3  LYS  56           HD2      LYS  56   1.855   5.150   3.947
  Start of MODEL    4
 2606    HD2  LYS  56           HD3      LYS  56   1.439   4.274   5.415
  Start of MODEL    4
 2607    HE2  LYS  56           HE2      LYS  56  -0.492   5.434   5.087
  Start of MODEL    4
 2608    HE3  LYS  56           HE3      LYS  56  -0.312   5.465   3.334
  Start of MODEL    4
 2609    HZ3  LYS  56           HZ1      LYS  56  -1.230   3.362   3.129
  Start of MODEL    4
 2610    HZ2  LYS  56           HZ2      LYS  56  -2.150   4.027   4.381
  Start of MODEL    4
 2611    HZ1  LYS  56           HZ3      LYS  56  -0.912   2.933   4.735
  Start of MODEL    4
 2612    H    LEU  57           H        LEU  57   4.407   4.588   0.282
  Start of MODEL    4
 2613    HA   LEU  57           HA       LEU  57   6.731   2.995   0.477
  Start of MODEL    4
 2614    HB2  LEU  57           HB2      LEU  57   6.156   5.174  -1.521
  Start of MODEL    4
 2615    HB3  LEU  57           HB3      LEU  57   7.308   3.866  -1.697
  Start of MODEL    4
 2616    HG   LEU  57           HG       LEU  57   4.354   3.828  -2.001
  Start of MODEL    4
 2617   HD12  LEU  57          HD11      LEU  57   6.181   2.043  -3.495
  Start of MODEL    4
 2618   HD11  LEU  57          HD12      LEU  57   6.361   3.785  -3.772
  Start of MODEL    4
 2619   HD13  LEU  57          HD13      LEU  57   4.807   3.000  -4.059
  Start of MODEL    4
 2620   HD21  LEU  57          HD21      LEU  57   5.982   1.492  -1.040
  Start of MODEL    4
 2621   HD23  LEU  57          HD22      LEU  57   4.434   1.319  -1.869
  Start of MODEL    4
 2622   HD22  LEU  57          HD23      LEU  57   4.516   2.168  -0.327
  Start of MODEL    4
 2623    H    VAL  58           H        VAL  58   6.139   6.472   0.602
  Start of MODEL    4
 2624    HA   VAL  58           HA       VAL  58   8.820   7.317   0.699
  Start of MODEL    4
 2625    HB   VAL  58           HB       VAL  58   6.630   8.749   2.195
  Start of MODEL    4
 2626    H    LYS  59           H        LYS  59   6.587   6.322   3.203
  Start of MODEL    4
 2627    HA   LYS  59           HA       LYS  59   7.916   7.053   5.483
  Start of MODEL    4
 2628    HB3  LYS  59           HB2      LYS  59   6.010   4.855   4.793
  Start of MODEL    4
 2629    HB2  LYS  59           HB3      LYS  59   5.721   6.320   5.705
  Start of MODEL    4
 2630    HG3  LYS  59           HG2      LYS  59   5.785   4.963   7.488
  Start of MODEL    4
 2631    HG2  LYS  59           HG3      LYS  59   7.537   5.042   7.284
  Start of MODEL    4
 2632    HD2  LYS  59           HD2      LYS  59   7.185   3.080   5.631
  Start of MODEL    4
 2633    HD3  LYS  59           HD3      LYS  59   7.173   2.761   7.369
  Start of MODEL    4
 2634    HE3  LYS  59           HE2      LYS  59   5.357   1.591   6.192
  Start of MODEL    4
 2635    HE2  LYS  59           HE3      LYS  59   4.727   3.145   5.638
  Start of MODEL    4
 2636    HZ3  LYS  59           HZ1      LYS  59   3.688   2.086   7.700
  Start of MODEL    4
 2637    HZ2  LYS  59           HZ2      LYS  59   4.080   3.729   7.778
  Start of MODEL    4
 2638    HZ1  LYS  59           HZ3      LYS  59   5.082   2.585   8.520
  Start of MODEL    4
 2639    H    ARG  60           H        ARG  60   8.502   4.287   3.396
  Start of MODEL    4
 2640    HA   ARG  60           HA       ARG  60  10.063   2.682   5.059
  Start of MODEL    4
 2641    HB3  ARG  60           HB2      ARG  60  11.078   1.815   2.973
  Start of MODEL    4
 2642    HB2  ARG  60           HB3      ARG  60  10.320   3.124   2.083
  Start of MODEL    4
 2643    HG2  ARG  60           HG2      ARG  60   8.974   0.846   3.513
  Start of MODEL    4
 2644    HG3  ARG  60           HG3      ARG  60   8.101   2.251   2.897
  Start of MODEL    4
 2645    HD3  ARG  60           HD2      ARG  60   7.943   0.504   1.287
  Start of MODEL    4
 2646    HD2  ARG  60           HD3      ARG  60   9.678   0.227   1.342
  Start of MODEL    4
 2647    HE   ARG  60           HE       ARG  60   9.324   2.852   0.538
  Start of MODEL    4
 2648   HH11  ARG  60          HH11      ARG  60   8.495  -0.326  -0.678
  Start of MODEL    4
 2649   HH12  ARG  60          HH12      ARG  60   8.593   0.155  -2.337
  Start of MODEL    4
 2650   HH21  ARG  60          HH21      ARG  60   9.452   3.472  -1.640
  Start of MODEL    4
 2651   HH22  ARG  60          HH22      ARG  60   9.134   2.311  -2.882
  Start of MODEL    4
 2652    H    ALA  61           H        ALA  61  11.416   4.821   2.527
  Start of MODEL    4
 2653    HA   ALA  61           HA       ALA  61  13.444   5.842   2.337
  Start of MODEL    4
 2654    HB2  ALA  61           HB1      ALA  61  14.026   7.336   4.164
  Start of MODEL    4
 2655    HB1  ALA  61           HB2      ALA  61  12.945   6.459   5.247
  Start of MODEL    4
 2656    HB3  ALA  61           HB3      ALA  61  12.286   7.353   3.878
  Start of MODEL    4
 2657    H    ALA  62           H        ALA  62  13.719   3.067   2.803
  Start of MODEL    4
 2658    HA   ALA  62           HA       ALA  62  15.210   1.462   3.431
  Start of MODEL    4
 2659    HB3  ALA  62           HB1      ALA  62  17.501   1.988   3.071
  Start of MODEL    4
 2660    HB2  ALA  62           HB2      ALA  62  17.226   3.701   3.393
  Start of MODEL    4
 2661    HB1  ALA  62           HB3      ALA  62  16.562   2.959   1.937
  Start of MODEL    4
 2662    H    GLY  63           H        GLY  63  14.000   1.568   5.587
  Start of MODEL    4
 2663    HA2  GLY  63           HA2      GLY  63  15.626   1.023   7.701
  Start of MODEL    4
 2664    HA3  GLY  63           HA3      GLY  63  15.407   2.767   7.806
  Start of MODEL    4
 2665    H    GLN  64           H        GLN  64  12.873   3.276   7.319
  Start of MODEL    4
 2666    HA   GLN  64           HA       GLN  64  11.473   1.875   9.471
  Start of MODEL    4
 2667    HB2  GLN  64           HB2      GLN  64  10.537   4.352   8.026
  Start of MODEL    4
 2668    HB3  GLN  64           HB3      GLN  64  10.021   3.758   9.598
  Start of MODEL    4
 2669    HG3  GLN  64           HG2      GLN  64  12.707   4.914   8.892
  Start of MODEL    4
 2670    HG2  GLN  64           HG3      GLN  64  12.307   4.197  10.453
  Start of MODEL    4
 2671   HE21  GLN  64          HE21      GLN  64  10.776   5.251  11.794
  Start of MODEL    4
 2672   HE22  GLN  64          HE22      GLN  64  10.432   6.932  11.599
  Start of MODEL    4
 2673    H    ASP  65           H        ASP  65  11.354   0.025   7.898
  Start of MODEL    4
 2674    HA   ASP  65           HA       ASP  65   9.478  -1.286   7.179
  Start of MODEL    4
 2675    HB2  ASP  65           HB2      ASP  65   8.000   0.761   6.981
  Start of MODEL    4
 2676    HB3  ASP  65           HB3      ASP  65   8.727   1.052   5.406
  Start of MODEL    4
 2677    H    ASP  66           H        ASP  66  11.773   0.703   5.562
  Start of MODEL    4
 2678    HA   ASP  66           HA       ASP  66  13.146   0.430   3.790
  Start of MODEL    4
 2679    HB2  ASP  66           HB2      ASP  66  12.873  -2.275   4.954
  Start of MODEL    4
 2680    HB3  ASP  66           HB3      ASP  66  13.739  -2.125   3.435
  Start of MODEL    4
 2681    H    VAL  67           H        VAL  67  11.313  -2.564   3.244
  Start of MODEL    4
 2682    HA   VAL  67           HA       VAL  67   9.750  -1.695   1.059
  Start of MODEL    4
 2683    HB   VAL  67           HB       VAL  67  11.077  -3.153  -0.669
  Start of MODEL    4
 2684    HA   PRO  68           HA       PRO  68   8.484  -5.614   3.181
  Start of MODEL    4
 2685    HB3  PRO  68           HB2      PRO  68   6.241  -5.286   3.548
  Start of MODEL    4
 2686    HB2  PRO  68           HB3      PRO  68   5.980  -4.589   1.946
  Start of MODEL    4
 2687    HG2  PRO  68           HG2      PRO  68   5.954  -2.660   3.243
  Start of MODEL    4
 2688    HG3  PRO  68           HG3      PRO  68   7.122  -3.315   4.397
  Start of MODEL    4
 2689    HD3  PRO  68           HD2      PRO  68   8.589  -2.026   3.212
  Start of MODEL    4
 2690    HD2  PRO  68           HD3      PRO  68   7.592  -2.080   1.751
  Start of MODEL    4
 2691    H    GLY  69           H        GLY  69   8.241  -4.478  -0.105
  Start of MODEL    4
 2692    HA2  GLY  69           HA2      GLY  69   8.545  -5.786  -2.027
  Start of MODEL    4
 2693    HA3  GLY  69           HA3      GLY  69   8.298  -7.235  -1.058
  Start of MODEL    4
 2694    H    ASP  70           H        ASP  70   5.901  -6.136   0.207
  Start of MODEL    4
 2695    HA   ASP  70           HA       ASP  70   3.983  -6.902  -1.799
  Start of MODEL    4
 2696    HB2  ASP  70           HB2      ASP  70   3.821  -6.274   1.145
  Start of MODEL    4
 2697    HB3  ASP  70           HB3      ASP  70   2.364  -6.466   0.168
  Start of MODEL    4
 2698    H    LEU  71           H        LEU  71   5.362  -3.926  -0.675
  Start of MODEL    4
 2699    HA   LEU  71           HA       LEU  71   3.005  -2.350  -1.259
  Start of MODEL    4
 2700    HB3  LEU  71           HB2      LEU  71   4.407  -0.399  -0.937
  Start of MODEL    4
 2701    HB2  LEU  71           HB3      LEU  71   5.856  -1.390  -0.945
  Start of MODEL    4
 2702    HG   LEU  71           HG       LEU  71   5.541  -2.102   1.210
  Start of MODEL    4
 2703   HD13  LEU  71          HD11      LEU  71   3.327  -2.133   2.354
  Start of MODEL    4
 2704   HD12  LEU  71          HD12      LEU  71   3.424  -3.179   0.937
  Start of MODEL    4
 2705   HD11  LEU  71          HD13      LEU  71   2.589  -1.629   0.831
  Start of MODEL    4
 2706   HD22  LEU  71          HD21      LEU  71   4.830  -0.221   2.593
  Start of MODEL    4
 2707   HD21  LEU  71          HD22      LEU  71   4.037   0.517   1.199
  Start of MODEL    4
 2708   HD23  LEU  71          HD23      LEU  71   5.792   0.339   1.224
  Start of MODEL    4
 2709    H    ARG  72           H        ARG  72   6.153  -2.926  -2.736
  Start of MODEL    4
 2710    HA   ARG  72           HA       ARG  72   5.837  -1.404  -5.043
  Start of MODEL    4
 2711    HB2  ARG  72           HB2      ARG  72   7.850  -2.825  -4.037
  Start of MODEL    4
 2712    HB3  ARG  72           HB3      ARG  72   7.262  -3.992  -5.202
  Start of MODEL    4
 2713    HG2  ARG  72           HG2      ARG  72   7.387  -1.665  -6.663
  Start of MODEL    4
 2714    HG3  ARG  72           HG3      ARG  72   8.792  -1.566  -5.601
  Start of MODEL    4
 2715    HD2  ARG  72           HD2      ARG  72   8.125  -3.941  -7.340
  Start of MODEL    4
 2716    HD3  ARG  72           HD3      ARG  72   9.256  -2.660  -7.786
  Start of MODEL    4
 2717    HE   ARG  72           HE       ARG  72  10.114  -3.604  -5.341
  Start of MODEL    4
 2718   HH11  ARG  72          HH11      ARG  72   9.635  -4.949  -8.540
  Start of MODEL    4
 2719   HH12  ARG  72          HH12      ARG  72  10.885  -6.133  -8.360
  Start of MODEL    4
 2720   HH21  ARG  72          HH21      ARG  72  11.756  -5.165  -5.114
  Start of MODEL    4
 2721   HH22  ARG  72          HH22      ARG  72  12.088  -6.257  -6.417
  Start of MODEL    4
 2722    H    ALA  73           H        ALA  73   5.439  -4.902  -4.712
  Start of MODEL    4
 2723    HA   ALA  73           HA       ALA  73   4.390  -5.472  -7.197
  Start of MODEL    4
 2724    HB2  ALA  73           HB1      ALA  73   3.453  -7.512  -6.220
  Start of MODEL    4
 2725    HB1  ALA  73           HB2      ALA  73   3.674  -6.847  -4.602
  Start of MODEL    4
 2726    HB3  ALA  73           HB3      ALA  73   5.078  -7.205  -5.608
  Start of MODEL    4
 2727    H    LYS  74           H        LYS  74   2.846  -4.143  -4.416
  Start of MODEL    4
 2728    HA   LYS  74           HA       LYS  74   0.161  -4.376  -5.421
  Start of MODEL    4
 2729    HB2  LYS  74           HB2      LYS  74   0.483  -4.319  -3.020
  Start of MODEL    4
 2730    HB3  LYS  74           HB3      LYS  74   1.316  -2.776  -3.126
  Start of MODEL    4
 2731    HG3  LYS  74           HG2      LYS  74  -1.279  -3.049  -2.470
  Start of MODEL    4
 2732    HG2  LYS  74           HG3      LYS  74  -1.427  -2.835  -4.215
  Start of MODEL    4
 2733    HD2  LYS  74           HD2      LYS  74   0.415  -0.900  -3.448
  Start of MODEL    4
 2734    HD3  LYS  74           HD3      LYS  74  -1.283  -0.638  -3.853
  Start of MODEL    4
 2735    HE3  LYS  74           HE2      LYS  74  -0.441   0.280  -1.620
  Start of MODEL    4
 2736    HE2  LYS  74           HE3      LYS  74  -0.410  -1.397  -1.079
  Start of MODEL    4
 2737    HZ3  LYS  74           HZ1      LYS  74  -2.488  -0.162  -0.546
  Start of MODEL    4
 2738    HZ2  LYS  74           HZ2      LYS  74  -2.738  -1.586  -1.425
  Start of MODEL    4
 2739    HZ1  LYS  74           HZ3      LYS  74  -2.824  -0.086  -2.202
  Start of MODEL    4
 2740    H    VAL  75           H        VAL  75   2.645  -1.907  -5.197
  Start of MODEL    4
 2741    HA   VAL  75           HA       VAL  75   1.133   0.219  -6.332
  Start of MODEL    4
 2742    HB   VAL  75           HB       VAL  75   4.136  -0.159  -6.258
  Start of MODEL    4
 2743    H    MET  76           H        MET  76   3.701  -1.837  -7.790
  Start of MODEL    4
 2744    HA   MET  76           HA       MET  76   3.418  -0.904 -10.391
  Start of MODEL    4
 2745    HB3  MET  76           HB2      MET  76   5.289  -2.324  -9.659
  Start of MODEL    4
 2746    HB2  MET  76           HB3      MET  76   4.535  -2.954 -11.114
  Start of MODEL    4
 2747    HG3  MET  76           HG2      MET  76   3.504  -4.054  -8.594
  Start of MODEL    4
 2748    HG2  MET  76           HG3      MET  76   5.195  -4.410  -8.928
  Start of MODEL    4
 2749    HE2  MET  76           HE1      MET  76   3.526  -6.990  -8.701
  Start of MODEL    4
 2750    HE1  MET  76           HE2      MET  76   5.203  -6.832  -9.223
  Start of MODEL    4
 2751    HE3  MET  76           HE3      MET  76   4.070  -7.789 -10.177
  Start of MODEL    4
 2752    H    GLY  77           H        GLY  77   1.743  -3.589  -8.795
  Start of MODEL    4
 2753    HA2  GLY  77           HA2      GLY  77   0.225  -4.441 -10.999
  Start of MODEL    4
 2754    HA3  GLY  77           HA3      GLY  77  -0.182  -4.728  -9.319
  Start of MODEL    4
 2755    H    ARG  78           H        ARG  78  -0.361  -1.878  -8.613
  Start of MODEL    4
 2756    HA   ARG  78           HA       ARG  78  -3.064  -1.432  -9.396
  Start of MODEL    4
 2757    HB3  ARG  78           HB2      ARG  78  -2.696   0.785  -8.214
  Start of MODEL    4
 2758    HB2  ARG  78           HB3      ARG  78  -1.057   0.237  -7.905
  Start of MODEL    4
 2759    HG3  ARG  78           HG2      ARG  78  -2.071  -0.372  -5.951
  Start of MODEL    4
 2760    HG2  ARG  78           HG3      ARG  78  -2.280  -1.850  -6.890
  Start of MODEL    4
 2761    HD2  ARG  78           HD2      ARG  78  -4.265   0.022  -5.882
  Start of MODEL    4
 2762    HD3  ARG  78           HD3      ARG  78  -4.493  -0.378  -7.582
  Start of MODEL    4
 2763    HE   ARG  78           HE       ARG  78  -5.150  -2.474  -6.965
  Start of MODEL    4
 2764   HH11  ARG  78          HH11      ARG  78  -3.499  -1.019  -4.237
  Start of MODEL    4
 2765   HH12  ARG  78          HH12      ARG  78  -3.895  -2.311  -3.157
  Start of MODEL    4
 2766   HH22  ARG  78          HH21      ARG  78  -5.120  -4.096  -3.889
  Start of MODEL    4
 2767   HH21  ARG  78          HH22      ARG  78  -5.663  -4.168  -5.533
  Start of MODEL    4
 2768    H    LEU  79           H        LEU  79   0.102  -0.070 -10.219
  Start of MODEL    4
 2769    HA   LEU  79           HA       LEU  79  -0.841   1.977 -11.924
  Start of MODEL    4
 2770    HB3  LEU  79           HB2      LEU  79   1.743   0.445 -11.802
  Start of MODEL    4
 2771    HB2  LEU  79           HB3      LEU  79   1.442   2.112 -11.355
  Start of MODEL    4
 2772    HG   LEU  79           HG       LEU  79   1.867   0.936 -14.080
  Start of MODEL    4
 2773   HD12  LEU  79          HD11      LEU  79   3.586   2.471 -14.254
  Start of MODEL    4
 2774   HD11  LEU  79          HD12      LEU  79   3.653   1.984 -12.558
  Start of MODEL    4
 2775   HD13  LEU  79          HD13      LEU  79   2.913   3.519 -13.007
  Start of MODEL    4
 2776   HD22  LEU  79          HD21      LEU  79   1.262   3.481 -14.711
  Start of MODEL    4
 2777   HD21  LEU  79          HD22      LEU  79   0.091   3.200 -13.423
  Start of MODEL    4
 2778   HD23  LEU  79          HD23      LEU  79   0.120   2.146 -14.834
  Start of MODEL    4
 2779    H    ASP  80           H        ASP  80   0.296  -1.319 -12.626
  Start of MODEL    4
 2780    HA   ASP  80           HA       ASP  80  -0.268  -1.458 -15.313
  Start of MODEL    4
 2781    HB3  ASP  80           HB2      ASP  80  -0.643  -3.674 -13.259
  Start of MODEL    4
 2782    HB2  ASP  80           HB3      ASP  80   0.896  -3.218 -13.992
  Start of MODEL    4
 2783    H    LEU  81           H        LEU  81  -2.458  -1.495 -12.582
  Start of MODEL    4
 2784    HA   LEU  81           HA       LEU  81  -4.740  -2.343 -14.125
  Start of MODEL    4
 2785    HB2  LEU  81           HB2      LEU  81  -5.210  -2.999 -12.023
  Start of MODEL    4
 2786    HB3  LEU  81           HB3      LEU  81  -4.048  -1.890 -11.330
  Start of MODEL    4
 2787    HG   LEU  81           HG       LEU  81  -5.672  -0.100 -11.315
  Start of MODEL    4
 2788   HD13  LEU  81          HD11      LEU  81  -7.048  -2.530 -10.213
  Start of MODEL    4
 2789   HD12  LEU  81          HD12      LEU  81  -7.017  -0.891  -9.567
  Start of MODEL    4
 2790   HD11  LEU  81          HD13      LEU  81  -5.565  -1.887  -9.508
  Start of MODEL    4
 2791   HD21  LEU  81          HD21      LEU  81  -6.979  -1.677 -13.280
  Start of MODEL    4
 2792   HD23  LEU  81          HD22      LEU  81  -7.381  -0.052 -12.722
  Start of MODEL    4
 2793   HD22  LEU  81          HD23      LEU  81  -8.087  -1.460 -11.926
  Start of MODEL    4
 2794    H    ILE  82           H        ILE  82  -3.402   0.562 -12.692
  Start of MODEL    4
 2795    HA   ILE  82           HA       ILE  82  -5.458   2.384 -13.371
  Start of MODEL    4
 2796    HB   ILE  82           HB       ILE  82  -2.488   2.887 -13.039
  Start of MODEL    4
 2797   HD12  ILE  82          HD11      ILE  82  -2.838   4.282  -9.853
  Start of MODEL    4
 2798   HD11  ILE  82          HD12      ILE  82  -1.749   3.687 -11.106
  Start of MODEL    4
 2799   HD13  ILE  82          HD13      ILE  82  -2.339   2.592  -9.855
  Start of MODEL    4
 2800    H    ARG  83           H        ARG  83  -2.393   1.692 -15.029
  Start of MODEL    4
 2801    HA   ARG  83           HA       ARG  83  -2.830   3.230 -17.324
  Start of MODEL    4
 2802    HB3  ARG  83           HB2      ARG  83  -0.640   2.394 -16.649
  Start of MODEL    4
 2803    HB2  ARG  83           HB3      ARG  83  -1.003   1.975 -18.311
  Start of MODEL    4
 2804    HG2  ARG  83           HG2      ARG  83  -0.101   0.291 -16.303
  Start of MODEL    4
 2805    HG3  ARG  83           HG3      ARG  83  -1.809  -0.115 -16.476
  Start of MODEL    4
 2806    HD2  ARG  83           HD2      ARG  83  -1.478  -1.097 -18.449
  Start of MODEL    4
 2807    HD3  ARG  83           HD3      ARG  83  -0.500   0.250 -19.026
  Start of MODEL    4
 2808    HE   ARG  83           HE       ARG  83   1.037  -1.244 -17.228
  Start of MODEL    4
 2809   HH11  ARG  83          HH11      ARG  83  -0.378  -1.588 -20.414
  Start of MODEL    4
 2810   HH12  ARG  83          HH12      ARG  83   0.831  -2.702 -20.961
  Start of MODEL    4
 2811   HH22  ARG  83          HH21      ARG  83   2.530  -3.338 -19.569
  Start of MODEL    4
 2812   HH21  ARG  83          HH22      ARG  83   2.621  -2.710 -17.957
  Start of MODEL    4
 2813    H    SER  84           H        SER  84  -3.848  -0.052 -16.557
  Start of MODEL    4
 2814    HA   SER  84           HA       SER  84  -5.130  -0.229 -19.191
  Start of MODEL    4
 2815    HB2  SER  84           HB2      SER  84  -3.325  -1.942 -18.572
  Start of MODEL    4
 2816    HB3  SER  84           HB3      SER  84  -4.513  -2.605 -17.446
  Start of MODEL    4
 2817    HG   SER  84           HG       SER  84  -4.565  -3.633 -19.503
  Start of MODEL    4
 2818    H    GLY  85           H        GLY  85  -6.249   1.055 -16.756
  Start of MODEL    4
 2819    HA2  GLY  85           HA2      GLY  85  -8.888   0.099 -16.935
  Start of MODEL    4
 2820    HA3  GLY  85           HA3      GLY  85  -8.147  -0.598 -15.498
  Start of MODEL    4
 2821    H    GLN  86           H        GLN  86  -9.757   0.567 -14.257
  Start of MODEL    4
 2822    HA   GLN  86           HA       GLN  86  -8.895   3.287 -13.668
  Start of MODEL    4
 2823    HB2  GLN  86           HB2      GLN  86 -11.724   2.491 -14.340
  Start of MODEL    4
 2824    HB3  GLN  86           HB3      GLN  86 -11.331   3.973 -13.477
  Start of MODEL    4
 2825    HG3  GLN  86           HG2      GLN  86 -11.375   3.506 -16.270
  Start of MODEL    4
 2826    HG2  GLN  86           HG3      GLN  86  -9.706   3.836 -15.808
  Start of MODEL    4
 2827   HE21  GLN  86          HE21      GLN  86 -12.970   5.094 -15.867
  Start of MODEL    4
 2828   HE22  GLN  86          HE22      GLN  86 -12.540   6.753 -15.642
  Start of MODEL    4
 2829    H    SER  87           H        SER  87 -11.298   0.821 -12.683
  Start of MODEL    4
 2830    HA   SER  87           HA       SER  87 -11.710   1.574 -10.077
  Start of MODEL    4
 2831    HB3  SER  87           HB2      SER  87 -12.974  -0.236 -11.081
  Start of MODEL    4
 2832    HB2  SER  87           HB3      SER  87 -12.211  -0.824  -9.604
  Start of MODEL    4
 2833    HG   SER  87           HG       SER  87 -11.972  -2.282 -11.364
  Start of MODEL    4
 2834    H    VAL  88           H        VAL  88 -10.743   1.190  -8.079
  Start of MODEL    4
 2835    HA   VAL  88           HA       VAL  88  -8.229  -0.253  -7.959
  Start of MODEL    4
 2836    HB   VAL  88           HB       VAL  88  -7.312   1.854  -6.633
  Start of MODEL    4
 2837    HA   PRO  89           HA       PRO  89 -10.666  -0.803  -4.149
  Start of MODEL    4
 2838    HB2  PRO  89           HB2      PRO  89 -10.875  -3.480  -4.372
  Start of MODEL    4
 2839    HB3  PRO  89           HB3      PRO  89 -11.950  -2.372  -5.242
  Start of MODEL    4
 2840    HG2  PRO  89           HG2      PRO  89  -9.613  -3.924  -6.252
  Start of MODEL    4
 2841    HG3  PRO  89           HG3      PRO  89 -11.124  -3.506  -7.077
  Start of MODEL    4
 2842    HD3  PRO  89           HD2      PRO  89 -10.199  -1.599  -7.881
  Start of MODEL    4
 2843    HD2  PRO  89           HD3      PRO  89  -8.644  -2.250  -7.332
  Start of MODEL    4
 2844    H    GLU  90           H        GLU  90 -10.102  -2.009  -2.194
  Start of MODEL    4
 2845    HA   GLU  90           HA       GLU  90  -8.667  -2.676  -0.575
  Start of MODEL    4
 2846    HB2  GLU  90           HB2      GLU  90  -7.191  -3.978  -2.837
  Start of MODEL    4
 2847    HB3  GLU  90           HB3      GLU  90  -6.976  -4.341  -1.139
  Start of MODEL    4
 2848    HG3  GLU  90           HG2      GLU  90  -9.520  -4.752  -2.696
  Start of MODEL    4
 2849    HG2  GLU  90           HG3      GLU  90  -9.253  -5.167  -1.003
  Start of MODEL    4
 2850    H    HIS  91           H        HIS  91  -7.721  -0.906   0.281
  Start of MODEL    4
 2851    HA   HIS  91           HA       HIS  91  -4.979  -0.343  -0.393
  Start of MODEL    4
 2852    HB2  HIS  91           HB2      HIS  91  -5.414   2.122  -0.794
  Start of MODEL    4
 2853    HB3  HIS  91           HB3      HIS  91  -5.901   1.046  -2.097
  Start of MODEL    4
 2854    HD1  HIS  91           HD1      HIS  91  -8.327   1.074  -2.783
  Start of MODEL    4
 2855    HD2  HIS  91           HD2      HIS  91  -7.616   3.202   0.714
  Start of MODEL    4
 2856    HE1  HIS  91           HE1      HIS  91 -10.472   2.290  -2.288
  Start of MODEL    4
 2857    HE2  HIS  91           HE2      HIS  91 -10.045   3.504  -0.123
  Start of MODEL    4
 2858    H    ASP  92           H        ASP  92  -6.419  -1.238   1.940
  Start of MODEL    4
 2859    HA   ASP  92           HA       ASP  92  -6.314   1.038   3.776
  Start of MODEL    4
 2860    HB2  ASP  92           HB2      ASP  92  -6.903  -1.754   4.678
  Start of MODEL    4
 2861    HB3  ASP  92           HB3      ASP  92  -7.514  -0.231   5.306
  Start of MODEL    4
 2862    H    VAL  93           H        VAL  93  -4.439   1.523   4.655
  Start of MODEL    4
 2863    HA   VAL  93           HA       VAL  93  -2.381   1.436   5.550
  Start of MODEL    4
 2864    HB   VAL  93           HB       VAL  93  -3.884  -0.341   6.913
  Start of MODEL    4
 2865    H    ALA  94           H        ALA  94  -3.104  -0.348   2.900
  Start of MODEL    4
 2866    HA   ALA  94           HA       ALA  94  -1.945  -1.441   1.288
  Start of MODEL    4
 2867    HB1  ALA  94           HB1      ALA  94   0.115   0.482   2.321
  Start of MODEL    4
 2868    HB3  ALA  94           HB2      ALA  94  -0.946   0.648   0.919
  Start of MODEL    4
 2869    HB2  ALA  94           HB3      ALA  94   0.374  -0.523   0.893
  Start of MODEL    4
 2870    H    ALA  95           H        ALA  95  -1.724  -2.468   4.200
  Start of MODEL    4
 2871    HA   ALA  95           HA       ALA  95   0.185  -4.567   3.562
  Start of MODEL    4
 2872    HB1  ALA  95           HB1      ALA  95   1.401  -2.828   4.883
  Start of MODEL    4
 2873    HB3  ALA  95           HB2      ALA  95   1.373  -4.426   5.629
  Start of MODEL    4
 2874    HB2  ALA  95           HB3      ALA  95   0.300  -3.158   6.222
  Start of MODEL    4
 2875    H    ALA  96           H        ALA  96  -2.807  -4.176   3.927
  Start of MODEL    4
 2876    HA   ALA  96           HA       ALA  96  -3.340  -6.674   5.182
  Start of MODEL    4
 2877    HB2  ALA  96           HB1      ALA  96  -4.761  -5.822   7.024
  Start of MODEL    4
 2878    HB1  ALA  96           HB2      ALA  96  -4.179  -4.191   6.683
  Start of MODEL    4
 2879    HB3  ALA  96           HB3      ALA  96  -3.054  -5.433   7.235
  Start of MODEL    4
 2880    HA   PRO  97           HA       PRO  97  -6.449  -5.196   2.074
  Start of MODEL    4
 2881    HB2  PRO  97           HB2      PRO  97  -6.562  -7.515   0.669
  Start of MODEL    4
 2882    HB3  PRO  97           HB3      PRO  97  -5.341  -6.272   0.373
  Start of MODEL    4
 2883    HG2  PRO  97           HG2      PRO  97  -5.123  -8.820   1.927
  Start of MODEL    4
 2884    HG3  PRO  97           HG3      PRO  97  -3.964  -8.092   0.799
  Start of MODEL    4
 2885    HD2  PRO  97           HD2      PRO  97  -3.726  -7.905   3.499
  Start of MODEL    4
 2886    HD3  PRO  97           HD3      PRO  97  -3.127  -6.659   2.388
  Start of MODEL    4
 2887    H    SER  98           H        SER  98  -8.361  -5.117   3.112
  Start of MODEL    4
 2888    HA   SER  98           HA       SER  98  -9.932  -7.512   3.373
  Start of MODEL    4
 2889    HB2  SER  98           HB2      SER  98 -10.398  -7.229   5.800
  Start of MODEL    4
 2890    HB3  SER  98           HB3      SER  98  -8.715  -7.646   5.480
  Start of MODEL    4
 2891    HG   SER  98           HG       SER  98  -8.919  -5.932   6.991
  Start of MODEL    4
 2892    H    SER  99           H        SER  99 -10.434  -5.453   1.727
  Start of MODEL    4
 2893    HA   SER  99           HA       SER  99 -12.264  -3.584   3.006
  Start of MODEL    4
 2894    HB2  SER  99           HB2      SER  99 -12.479  -2.605   0.735
  Start of MODEL    4
 2895    HB3  SER  99           HB3      SER  99 -10.797  -2.716   1.262
  Start of MODEL    4
 2896    HG   SER  99           HG       SER  99 -11.328  -3.457  -0.951
  Start of MODEL    4
 2897    H    SER 100           H        SER 100 -12.422  -6.121   0.499
  Start of MODEL    4
 2898    HA   SER 100           HA       SER 100 -15.250  -6.525   1.187
  Start of MODEL    4
 2899    HB3  SER 100           HB2      SER 100 -15.314  -5.184  -0.822
  Start of MODEL    4
 2900    HB2  SER 100           HB3      SER 100 -15.762  -6.836  -1.247
  Start of MODEL    4
 2901    HG   SER 100           HG       SER 100 -14.242  -5.904  -2.709
  Start of MODEL    4
 2902    H    ALA 101           H        ALA 101 -12.519  -7.838  -0.711
  Start of MODEL    4
 2903    HA   ALA 101           HA       ALA 101 -13.317 -10.538   0.182
  Start of MODEL    4
 2904    HB1  ALA 101           HB1      ALA 101 -12.091  -9.796  -2.473
  Start of MODEL    4
 2905    HB3  ALA 101           HB2      ALA 101 -13.777 -10.235  -2.201
  Start of MODEL    4
 2906    HB2  ALA 101           HB3      ALA 101 -12.503 -11.424  -1.936
  Start of MODEL    4
 2907    HA   PRO 102           HA       PRO 102  -9.153  -9.599   2.053
  Start of MODEL    4
 2908    HB2  PRO 102           HB2      PRO 102 -10.145 -11.961   3.594
  Start of MODEL    4
 2909    HB3  PRO 102           HB3      PRO 102  -9.307 -10.513   4.166
  Start of MODEL    4
 2910    HG2  PRO 102           HG2      PRO 102 -11.914 -10.741   4.527
  Start of MODEL    4
 2911    HG3  PRO 102           HG3      PRO 102 -11.221  -9.193   4.003
  Start of MODEL    4
 2912    HD2  PRO 102           HD2      PRO 102 -12.687 -11.254   2.398
  Start of MODEL    4
 2913    HD3  PRO 102           HD3      PRO 102 -12.785  -9.479   2.319
  Start of MODEL    4
 2914    H    GLN 103           H        GLN 103 -10.509 -12.838   1.351
  Start of MODEL    4
 2915    HA   GLN 103           HA       GLN 103  -7.980 -13.536   0.032
  Start of MODEL    4
 2916    HB2  GLN 103           HB2      GLN 103  -8.024 -15.783   1.033
  Start of MODEL    4
 2917    HB3  GLN 103           HB3      GLN 103  -7.850 -14.532   2.250
  Start of MODEL    4
 2918    HG2  GLN 103           HG2      GLN 103 -10.544 -15.664   1.611
  Start of MODEL    4
 2919    HG3  GLN 103           HG3      GLN 103  -9.432 -16.505   2.688
  Start of MODEL    4
 2920   HE22  GLN 103          HE21      GLN 103 -11.739 -13.696   4.179
  Start of MODEL    4
 2921   HE21  GLN 103          HE22      GLN 103 -12.005 -14.550   2.702
  Start of MODEL    4
 2922    H    GLU 104           H        GLU 104 -10.267 -12.684  -1.280
  Start of MODEL    4
 2923    HA   GLU 104           HA       GLU 104 -11.808 -13.213  -2.864
  Start of MODEL    4
 2924    HB2  GLU 104           HB2      GLU 104  -9.494 -13.985  -3.737
  Start of MODEL    4
 2925    HB3  GLU 104           HB3      GLU 104 -10.113 -15.612  -3.498
  Start of MODEL    4
 2926    HG2  GLU 104           HG2      GLU 104 -10.568 -15.191  -5.727
  Start of MODEL    4
 2927    HG3  GLU 104           HG3      GLU 104 -12.104 -14.847  -4.933
  Start of MODEL    4
 2928    H    SER 105           H        SER 105 -13.472 -13.747  -1.339
  Start of MODEL    4
 2929    HA   SER 105           HA       SER 105 -14.009 -16.633  -1.066
  Start of MODEL    4
 2930    HB3  SER 105           HB2      SER 105 -15.234 -14.380   0.542
  Start of MODEL    4
 2931    HB2  SER 105           HB3      SER 105 -13.807 -15.283   1.047
  Start of MODEL    4
 2932    HG   SER 105           HG       SER 105 -15.704 -16.151   1.958
  Start of MODEL    5
 2933    HA2  GLY  -2           HA2      GLY  -2 -12.146  27.635   5.019
  Start of MODEL    5
 2934    HA3  GLY  -2           HA3      GLY  -2 -12.370  27.975   6.728
  Start of MODEL    5
 2935    H    SER  -1           H        SER  -1 -13.567  25.928   4.084
  Start of MODEL    5
 2936    HA   SER  -1           HA       SER  -1 -14.168  23.834   6.077
  Start of MODEL    5
 2937    HB2  SER  -1           HB2      SER  -1 -15.457  24.320   3.378
  Start of MODEL    5
 2938    HB3  SER  -1           HB3      SER  -1 -15.808  22.949   4.432
  Start of MODEL    5
 2939    HG   SER  -1           HG       SER  -1 -17.313  24.657   4.695
  Start of MODEL    5
 2940    H    HIS   0           H        HIS   0 -13.353  21.803   5.779
  Start of MODEL    5
 2941    HA   HIS   0           HA       HIS   0 -11.346  21.510   3.654
  Start of MODEL    5
 2942    HB3  HIS   0           HB2      HIS   0 -10.556  19.565   5.074
  Start of MODEL    5
 2943    HB2  HIS   0           HB3      HIS   0 -11.732  20.069   6.283
  Start of MODEL    5
 2944    HD1  HIS   0           HD1      HIS   0 -11.280  22.365   7.483
  Start of MODEL    5
 2945    HD2  HIS   0           HD2      HIS   0  -8.219  21.044   5.001
  Start of MODEL    5
 2946    HE1  HIS   0           HE1      HIS   0  -9.274  23.753   8.091
  Start of MODEL    5
 2947    HE2  HIS   0           HE2      HIS   0  -7.459  22.996   6.517
  Start of MODEL    5
 2948    H    MET   1           H        MET   1 -11.384  19.848   2.192
  Start of MODEL    5
 2949    HA   MET   1           HA       MET   1 -13.715  18.038   2.279
  Start of MODEL    5
 2950    HB2  MET   1           HB2      MET   1 -12.498  19.444  -0.103
  Start of MODEL    5
 2951    HB3  MET   1           HB3      MET   1 -13.644  18.118  -0.245
  Start of MODEL    5
 2952    HG3  MET   1           HG2      MET   1 -14.169  20.767   1.088
  Start of MODEL    5
 2953    HG2  MET   1           HG3      MET   1 -15.317  19.435   0.958
  Start of MODEL    5
 2954    HE2  MET   1           HE1      MET   1 -16.773  22.112  -1.516
  Start of MODEL    5
 2955    HE1  MET   1           HE2      MET   1 -15.954  22.418   0.016
  Start of MODEL    5
 2956    HE3  MET   1           HE3      MET   1 -17.108  21.091  -0.116
  Start of MODEL    5
 2957    H    SER   2           H        SER   2 -13.412  15.919   1.573
  Start of MODEL    5
 2958    HA   SER   2           HA       SER   2 -10.646  15.001   1.654
  Start of MODEL    5
 2959    HB2  SER   2           HB2      SER   2 -12.432  13.914   3.048
  Start of MODEL    5
 2960    HB3  SER   2           HB3      SER   2 -13.171  13.334   1.557
  Start of MODEL    5
 2961    HG   SER   2           HG       SER   2 -11.773  11.779   2.496
  Start of MODEL    5
 2962    H    ALA   3           H        ALA   3 -13.472  14.801  -0.499
  Start of MODEL    5
 2963    HA   ALA   3           HA       ALA   3 -11.803  13.618  -2.597
  Start of MODEL    5
 2964    HB2  ALA   3           HB1      ALA   3 -13.893  13.208  -3.782
  Start of MODEL    5
 2965    HB1  ALA   3           HB2      ALA   3 -14.785  14.078  -2.533
  Start of MODEL    5
 2966    HB3  ALA   3           HB3      ALA   3 -13.967  12.567  -2.140
  Start of MODEL    5
 2967    H    GLY   4           H        GLY   4 -10.897  16.079  -2.213
  Start of MODEL    5
 2968    HA3  GLY   4           HA2      GLY   4 -10.886  18.303  -2.974
  Start of MODEL    5
 2969    HA2  GLY   4           HA3      GLY   4 -12.290  17.954  -3.970
  Start of MODEL    5
 2970    H    GLU   5           H        GLU   5 -11.937  16.636  -5.914
  Start of MODEL    5
 2971    HA   GLU   5           HA       GLU   5  -9.350  16.110  -6.928
  Start of MODEL    5
 2972    HB3  GLU   5           HB2      GLU   5 -11.071  14.814  -7.862
  Start of MODEL    5
 2973    HB2  GLU   5           HB3      GLU   5 -10.595  15.908  -9.155
  Start of MODEL    5
 2974    HG3  GLU   5           HG2      GLU   5 -12.541  17.383  -8.326
  Start of MODEL    5
 2975    HG2  GLU   5           HG3      GLU   5 -13.082  15.927  -7.492
  Start of MODEL    5
 2976    HA   PRO   6           HA       PRO   6  -8.668  20.388  -8.244
  Start of MODEL    5
 2977    HB2  PRO   6           HB2      PRO   6  -6.044  20.427  -8.054
  Start of MODEL    5
 2978    HB3  PRO   6           HB3      PRO   6  -7.008  20.167  -6.589
  Start of MODEL    5
 2979    HG2  PRO   6           HG2      PRO   6  -5.618  18.132  -8.293
  Start of MODEL    5
 2980    HG3  PRO   6           HG3      PRO   6  -5.570  18.325  -6.530
  Start of MODEL    5
 2981    HD2  PRO   6           HD2      PRO   6  -7.251  16.584  -7.862
  Start of MODEL    5
 2982    HD3  PRO   6           HD3      PRO   6  -7.566  17.263  -6.246
  Start of MODEL    5
 2983    H    HIS   7           H        HIS   7  -6.874  21.296  -9.900
  Start of MODEL    5
 2984    HA   HIS   7           HA       HIS   7  -7.398  19.944 -12.410
  Start of MODEL    5
 2985    HB3  HIS   7           HB2      HIS   7  -6.163  21.932 -13.380
  Start of MODEL    5
 2986    HB2  HIS   7           HB3      HIS   7  -6.007  22.545 -11.737
  Start of MODEL    5
 2987    HD1  HIS   7           HD1      HIS   7  -8.218  23.319 -10.551
  Start of MODEL    5
 2988    HD2  HIS   7           HD2      HIS   7  -8.643  22.303 -14.558
  Start of MODEL    5
 2989    HE1  HIS   7           HE1      HIS   7 -10.454  24.236 -11.244
  Start of MODEL    5
 2990    HE2  HIS   7           HE2      HIS   7 -10.726  23.536 -13.649
  Start of MODEL    5
 2991    H    GLU   8           H        GLU   8  -6.099  18.419 -13.205
  Start of MODEL    5
 2992    HA   GLU   8           HA       GLU   8  -3.282  18.366 -12.347
  Start of MODEL    5
 2993    HB2  GLU   8           HB2      GLU   8  -4.274  15.988 -13.752
  Start of MODEL    5
 2994    HB3  GLU   8           HB3      GLU   8  -3.361  16.113 -12.258
  Start of MODEL    5
 2995    HG3  GLU   8           HG2      GLU   8  -5.914  17.029 -11.608
  Start of MODEL    5
 2996    HG2  GLU   8           HG3      GLU   8  -5.187  15.484 -11.171
  Start of MODEL    5
 2997    H    THR   9           H        THR   9  -1.867  17.168 -14.094
  Start of MODEL    5
 2998    HA   THR   9           HA       THR   9  -2.535  18.070 -16.782
  Start of MODEL    5
 2999    HB   THR   9           HB       THR   9  -0.502  19.258 -17.108
  Start of MODEL    5
 3000    HG1  THR   9           HG1      THR   9   1.225  18.892 -15.975
  Start of MODEL    5
 3001   HG22  THR   9          HG21      THR   9  -0.504  21.018 -15.458
  Start of MODEL    5
 3002   HG21  THR   9          HG22      THR   9  -1.431  20.009 -14.347
  Start of MODEL    5
 3003   HG23  THR   9          HG23      THR   9  -2.160  20.559 -15.856
  Start of MODEL    5
 3004    H    ASP  10           H        ASP  10   0.124  16.550 -14.938
  Start of MODEL    5
 3005    HA   ASP  10           HA       ASP  10   0.201  14.411 -16.973
  Start of MODEL    5
 3006    HB3  ASP  10           HB2      ASP  10   2.600  14.153 -16.473
  Start of MODEL    5
 3007    HB2  ASP  10           HB3      ASP  10   2.504  15.480 -15.315
  Start of MODEL    5
 3008    H    CYS  11           H        CYS  11  -1.019  12.855 -16.007
  Start of MODEL    5
 3009    HA   CYS  11           HA       CYS  11  -0.532  12.234 -13.193
  Start of MODEL    5
 3010    HB3  CYS  11           HB2      CYS  11  -2.696  11.243 -15.063
  Start of MODEL    5
 3011    HB2  CYS  11           HB3      CYS  11  -2.864  12.542 -13.888
  Start of MODEL    5
 3012    H    SER  12           H        SER  12  -0.885  10.406 -16.256
  Start of MODEL    5
 3013    HA   SER  12           HA       SER  12  -0.098   7.924 -15.371
  Start of MODEL    5
 3014    HB2  SER  12           HB2      SER  12   0.581   9.150 -18.047
  Start of MODEL    5
 3015    HB3  SER  12           HB3      SER  12   0.573   7.426 -17.668
  Start of MODEL    5
 3016    HG   SER  12           HG       SER  12  -1.375   8.109 -18.677
  Start of MODEL    5
 3017    H    GLU  13           H        GLU  13   1.933  10.703 -15.962
  Start of MODEL    5
 3018    HA   GLU  13           HA       GLU  13   4.399   9.350 -16.141
  Start of MODEL    5
 3019    HB2  GLU  13           HB2      GLU  13   3.820  12.163 -15.276
  Start of MODEL    5
 3020    HB3  GLU  13           HB3      GLU  13   5.422  11.547 -15.627
  Start of MODEL    5
 3021    HG3  GLU  13           HG2      GLU  13   3.175  12.179 -17.476
  Start of MODEL    5
 3022    HG2  GLU  13           HG3      GLU  13   4.334  10.931 -17.932
  Start of MODEL    5
 3023    H    ILE  14           H        ILE  14   2.730  10.852 -13.389
  Start of MODEL    5
 3024    HA   ILE  14           HA       ILE  14   4.695  10.342 -11.421
  Start of MODEL    5
 3025    HB   ILE  14           HB       ILE  14   1.667  10.454 -11.189
  Start of MODEL    5
 3026   HD12  ILE  14          HD11      ILE  14   4.899  12.631 -10.573
  Start of MODEL    5
 3027   HD11  ILE  14          HD12      ILE  14   4.081  12.157  -9.083
  Start of MODEL    5
 3028   HD13  ILE  14          HD13      ILE  14   3.833  13.769  -9.754
  Start of MODEL    5
 3029    H    LEU  15           H        LEU  15   1.961   8.302 -12.617
  Start of MODEL    5
 3030    HA   LEU  15           HA       LEU  15   2.620   6.158 -10.917
  Start of MODEL    5
 3031    HB2  LEU  15           HB2      LEU  15   1.502   5.696 -13.653
  Start of MODEL    5
 3032    HB3  LEU  15           HB3      LEU  15   1.080   4.925 -12.136
  Start of MODEL    5
 3033    HG   LEU  15           HG       LEU  15   0.229   7.666 -13.081
  Start of MODEL    5
 3034   HD12  LEU  15          HD11      LEU  15  -2.017   6.724 -12.968
  Start of MODEL    5
 3035   HD11  LEU  15          HD12      LEU  15  -1.340   5.167 -12.489
  Start of MODEL    5
 3036   HD13  LEU  15          HD13      LEU  15  -0.992   5.827 -14.088
  Start of MODEL    5
 3037   HD21  LEU  15          HD21      LEU  15   0.142   6.426 -10.372
  Start of MODEL    5
 3038   HD23  LEU  15          HD22      LEU  15  -1.219   7.420 -10.891
  Start of MODEL    5
 3039   HD22  LEU  15          HD23      LEU  15   0.403   8.108 -10.835
  Start of MODEL    5
 3040    H    ASP  16           H        ASP  16   3.320   6.846 -14.372
  Start of MODEL    5
 3041    HA   ASP  16           HA       ASP  16   5.073   4.879 -14.970
  Start of MODEL    5
 3042    HB2  ASP  16           HB2      ASP  16   4.306   6.880 -16.387
  Start of MODEL    5
 3043    HB3  ASP  16           HB3      ASP  16   5.687   7.734 -15.712
  Start of MODEL    5
 3044    H    HIS  17           H        HIS  17   5.653   7.426 -12.575
  Start of MODEL    5
 3045    HA   HIS  17           HA       HIS  17   8.501   7.087 -12.532
  Start of MODEL    5
 3046    HB2  HIS  17           HB2      HIS  17   6.573   8.181 -10.438
  Start of MODEL    5
 3047    HB3  HIS  17           HB3      HIS  17   8.314   8.308 -10.367
  Start of MODEL    5
 3048    HD1  HIS  17           HD1      HIS  17   6.966  10.791 -10.005
  Start of MODEL    5
 3049    HD2  HIS  17           HD2      HIS  17   7.793   9.381 -13.822
  Start of MODEL    5
 3050    HE1  HIS  17           HE1      HIS  17   6.964  12.815 -11.456
  Start of MODEL    5
 3051    HE2  HIS  17           HE2      HIS  17   7.373  11.941 -13.798
  Start of MODEL    5
 3052    H    LEU  18           H        LEU  18   5.867   6.442 -10.255
  Start of MODEL    5
 3053    HA   LEU  18           HA       LEU  18   6.999   4.844  -8.417
  Start of MODEL    5
 3054    HB2  LEU  18           HB2      LEU  18   4.268   4.772  -9.634
  Start of MODEL    5
 3055    HB3  LEU  18           HB3      LEU  18   4.710   3.562  -8.445
  Start of MODEL    5
 3056    HG   LEU  18           HG       LEU  18   5.350   5.559  -6.937
  Start of MODEL    5
 3057   HD11  LEU  18          HD11      LEU  18   3.637   6.944  -8.994
  Start of MODEL    5
 3058   HD13  LEU  18          HD12      LEU  18   5.322   7.308  -8.593
  Start of MODEL    5
 3059   HD12  LEU  18          HD13      LEU  18   4.045   7.606  -7.411
  Start of MODEL    5
 3060   HD22  LEU  18          HD21      LEU  18   3.548   4.429  -6.126
  Start of MODEL    5
 3061   HD21  LEU  18          HD22      LEU  18   2.641   4.560  -7.632
  Start of MODEL    5
 3062   HD23  LEU  18          HD23      LEU  18   2.758   5.947  -6.550
  Start of MODEL    5
 3063    H    TYR  19           H        TYR  19   6.389   3.810 -11.719
  Start of MODEL    5
 3064    HA   TYR  19           HA       TYR  19   6.837   1.029 -11.027
  Start of MODEL    5
 3065    HB3  TYR  19           HB2      TYR  19   6.711   2.090 -13.849
  Start of MODEL    5
 3066    HB2  TYR  19           HB3      TYR  19   5.253   1.919 -12.878
  Start of MODEL    5
 3067    HD1  TYR  19           HD1      TYR  19   8.259  -0.107 -13.796
  Start of MODEL    5
 3068    HD2  TYR  19           HD2      TYR  19   4.037  -0.060 -13.142
  Start of MODEL    5
 3069    HE1  TYR  19           HE1      TYR  19   8.144  -2.469 -14.436
  Start of MODEL    5
 3070    HE2  TYR  19           HE2      TYR  19   3.922  -2.430 -13.785
  Start of MODEL    5
 3071    HH   TYR  19           HH       TYR  19   5.801  -3.989 -15.455
  Start of MODEL    5
 3072    H    GLU  20           H        GLU  20   8.424   3.155 -13.452
  Start of MODEL    5
 3073    HA   GLU  20           HA       GLU  20  10.774   1.562 -13.559
  Start of MODEL    5
 3074    HB2  GLU  20           HB2      GLU  20  10.594   4.466 -14.349
  Start of MODEL    5
 3075    HB3  GLU  20           HB3      GLU  20  11.684   3.244 -14.992
  Start of MODEL    5
 3076    HG3  GLU  20           HG2      GLU  20   8.721   3.481 -15.427
  Start of MODEL    5
 3077    HG2  GLU  20           HG3      GLU  20   9.658   2.061 -15.891
  Start of MODEL    5
 3078    H    PHE  21           H        PHE  21   9.828   4.242 -11.596
  Start of MODEL    5
 3079    HA   PHE  21           HA       PHE  21  12.395   5.005 -10.633
  Start of MODEL    5
 3080    HB3  PHE  21           HB2      PHE  21   9.804   5.426  -9.149
  Start of MODEL    5
 3081    HB2  PHE  21           HB3      PHE  21  10.099   6.278 -10.653
  Start of MODEL    5
 3082    HD1  PHE  21           HD1      PHE  21  10.603   8.446 -10.325
  Start of MODEL    5
 3083    HD2  PHE  21           HD2      PHE  21  12.123   5.548  -7.615
  Start of MODEL    5
 3084    HE1  PHE  21           HE1      PHE  21  11.803  10.225  -9.115
  Start of MODEL    5
 3085    HE2  PHE  21           HE2      PHE  21  13.334   7.322  -6.392
  Start of MODEL    5
 3086    HZ   PHE  21           HZ       PHE  21  13.168   9.661  -7.146
  Start of MODEL    5
 3087    H    LEU  22           H        LEU  22   9.708   3.290  -9.255
  Start of MODEL    5
 3088    HA   LEU  22           HA       LEU  22  11.046   2.512  -6.860
  Start of MODEL    5
 3089    HB2  LEU  22           HB2      LEU  22   8.610   2.861  -7.140
  Start of MODEL    5
 3090    HB3  LEU  22           HB3      LEU  22   8.539   1.369  -8.053
  Start of MODEL    5
 3091    HG   LEU  22           HG       LEU  22   9.244   0.109  -6.066
  Start of MODEL    5
 3092   HD12  LEU  22          HD11      LEU  22   7.142   0.233  -4.933
  Start of MODEL    5
 3093   HD11  LEU  22          HD12      LEU  22   6.851   0.563  -6.644
  Start of MODEL    5
 3094   HD13  LEU  22          HD13      LEU  22   6.886   1.888  -5.483
  Start of MODEL    5
 3095   HD23  LEU  22          HD21      LEU  22   9.609   1.040  -3.975
  Start of MODEL    5
 3096   HD22  LEU  22          HD22      LEU  22   8.829   2.560  -4.403
  Start of MODEL    5
 3097   HD21  LEU  22          HD23      LEU  22  10.423   2.177  -5.048
  Start of MODEL    5
 3098    H    ASP  23           H        ASP  23  10.059   0.579  -9.736
  Start of MODEL    5
 3099    HA   ASP  23           HA       ASP  23  11.063  -1.838  -8.804
  Start of MODEL    5
 3100    HB2  ASP  23           HB2      ASP  23   9.529  -1.185 -10.860
  Start of MODEL    5
 3101    HB3  ASP  23           HB3      ASP  23  11.055  -1.316 -11.733
  Start of MODEL    5
 3102    H    LYS  24           H        LYS  24  12.892   0.688 -10.559
  Start of MODEL    5
 3103    HA   LYS  24           HA       LYS  24  15.206  -1.081 -10.279
  Start of MODEL    5
 3104    HB3  LYS  24           HB2      LYS  24  15.061  -1.378 -12.475
  Start of MODEL    5
 3105    HB2  LYS  24           HB3      LYS  24  15.903   0.153 -12.552
  Start of MODEL    5
 3106    HG3  LYS  24           HG2      LYS  24  14.254   0.726 -13.953
  Start of MODEL    5
 3107    HG2  LYS  24           HG3      LYS  24  13.306   0.959 -12.489
  Start of MODEL    5
 3108    HD2  LYS  24           HD2      LYS  24  12.620  -1.468 -12.690
  Start of MODEL    5
 3109    HD3  LYS  24           HD3      LYS  24  11.971  -0.379 -13.918
  Start of MODEL    5
 3110    HE3  LYS  24           HE2      LYS  24  14.278  -2.300 -14.197
  Start of MODEL    5
 3111    HE2  LYS  24           HE3      LYS  24  13.861  -1.087 -15.408
  Start of MODEL    5
 3112    HZ3  LYS  24           HZ1      LYS  24  12.088  -3.283 -14.476
  Start of MODEL    5
 3113    HZ2  LYS  24           HZ2      LYS  24  12.911  -3.235 -15.953
  Start of MODEL    5
 3114    HZ1  LYS  24           HZ3      LYS  24  11.682  -2.116 -15.634
  Start of MODEL    5
 3115    H    GLU  25           H        GLU  25  14.188   2.288 -10.546
  Start of MODEL    5
 3116    HA   GLU  25           HA       GLU  25  16.590   3.583 -10.584
  Start of MODEL    5
 3117    HB2  GLU  25           HB2      GLU  25  14.112   4.474 -10.310
  Start of MODEL    5
 3118    HB3  GLU  25           HB3      GLU  25  14.599   4.634  -8.630
  Start of MODEL    5
 3119    HG2  GLU  25           HG2      GLU  25  15.087   6.709  -9.484
  Start of MODEL    5
 3120    HG3  GLU  25           HG3      GLU  25  16.644   5.888  -9.591
  Start of MODEL    5
 3121    H    MET  26           H        MET  26  14.954   2.746  -7.495
  Start of MODEL    5
 3122    HA   MET  26           HA       MET  26  17.139   1.629  -6.215
  Start of MODEL    5
 3123    HB3  MET  26           HB2      MET  26  17.237   4.013  -4.712
  Start of MODEL    5
 3124    HB2  MET  26           HB3      MET  26  17.345   4.514  -6.391
  Start of MODEL    5
 3125    HG3  MET  26           HG2      MET  26  19.167   2.711  -6.593
  Start of MODEL    5
 3126    HG2  MET  26           HG3      MET  26  19.187   2.742  -4.832
  Start of MODEL    5
 3127    HE1  MET  26           HE1      MET  26  21.760   3.346  -6.641
  Start of MODEL    5
 3128    HE3  MET  26           HE2      MET  26  21.768   3.354  -4.878
  Start of MODEL    5
 3129    HE2  MET  26           HE3      MET  26  22.436   4.722  -5.770
  Start of MODEL    5
 3130    HA   PRO  27           HA       PRO  27  12.708   1.015  -4.609
  Start of MODEL    5
 3131    HB2  PRO  27           HB2      PRO  27  14.539  -0.936  -3.275
  Start of MODEL    5
 3132    HB3  PRO  27           HB3      PRO  27  12.913  -1.179  -3.929
  Start of MODEL    5
 3133    HG2  PRO  27           HG2      PRO  27  15.334  -1.738  -5.243
  Start of MODEL    5
 3134    HG3  PRO  27           HG3      PRO  27  13.729  -1.665  -5.988
  Start of MODEL    5
 3135    HD2  PRO  27           HD2      PRO  27  15.878   0.069  -6.515
  Start of MODEL    5
 3136    HD3  PRO  27           HD3      PRO  27  14.186   0.335  -6.968
  Start of MODEL    5
 3137    H    ASP  28           H        ASP  28  15.648   0.828  -2.519
  Start of MODEL    5
 3138    HA   ASP  28           HA       ASP  28  14.122   1.887  -0.288
  Start of MODEL    5
 3139    HB2  ASP  28           HB2      ASP  28  16.219   1.589   1.008
  Start of MODEL    5
 3140    HB3  ASP  28           HB3      ASP  28  15.713   0.117   0.188
  Start of MODEL    5
 3141    H    SER  29           H        SER  29  16.749   3.026  -2.383
  Start of MODEL    5
 3142    HA   SER  29           HA       SER  29  16.815   5.584  -0.994
  Start of MODEL    5
 3143    HB2  SER  29           HB2      SER  29  18.320   5.646  -3.430
  Start of MODEL    5
 3144    HB3  SER  29           HB3      SER  29  18.913   5.672  -1.768
  Start of MODEL    5
 3145    HG   SER  29           HG       SER  29  19.769   3.876  -2.733
  Start of MODEL    5
 3146    H    ASP  30           H        ASP  30  14.326   4.992  -2.039
  Start of MODEL    5
 3147    HA   ASP  30           HA       ASP  30  14.073   6.966  -4.206
  Start of MODEL    5
 3148    HB2  ASP  30           HB2      ASP  30  12.669   4.326  -3.860
  Start of MODEL    5
 3149    HB3  ASP  30           HB3      ASP  30  11.964   5.618  -4.825
  Start of MODEL    5
 3150    H    ALA  31           H        ALA  31  12.818   5.737  -1.147
  Start of MODEL    5
 3151    HA   ALA  31           HA       ALA  31  10.366   7.066  -1.079
  Start of MODEL    5
 3152    HB2  ALA  31           HB1      ALA  31  11.445   7.170   1.519
  Start of MODEL    5
 3153    HB1  ALA  31           HB2      ALA  31  12.032   5.690   0.763
  Start of MODEL    5
 3154    HB3  ALA  31           HB3      ALA  31  10.301   6.009   0.848
  Start of MODEL    5
 3155    H    VAL  32           H        VAL  32  13.596   8.298  -0.319
  Start of MODEL    5
 3156    HA   VAL  32           HA       VAL  32  12.599  10.839   0.561
  Start of MODEL    5
 3157    HB   VAL  32           HB       VAL  32  15.424  10.122  -0.161
  Start of MODEL    5
 3158    H    LYS  33           H        LYS  33  13.620   9.427  -2.441
  Start of MODEL    5
 3159    HA   LYS  33           HA       LYS  33  13.811  11.990  -3.797
  Start of MODEL    5
 3160    HB3  LYS  33           HB2      LYS  33  14.338  10.693  -5.784
  Start of MODEL    5
 3161    HB2  LYS  33           HB3      LYS  33  13.872   9.202  -4.977
  Start of MODEL    5
 3162    HG3  LYS  33           HG2      LYS  33  16.256   9.321  -5.051
  Start of MODEL    5
 3163    HG2  LYS  33           HG3      LYS  33  15.739   9.539  -3.378
  Start of MODEL    5
 3164    HD2  LYS  33           HD2      LYS  33  16.410  11.810  -5.249
  Start of MODEL    5
 3165    HD3  LYS  33           HD3      LYS  33  16.089  11.913  -3.516
  Start of MODEL    5
 3166    HE2  LYS  33           HE2      LYS  33  18.415  12.018  -3.661
  Start of MODEL    5
 3167    HE3  LYS  33           HE3      LYS  33  18.090  10.335  -3.243
  Start of MODEL    5
 3168    HZ2  LYS  33           HZ1      LYS  33  19.755  10.573  -5.008
  Start of MODEL    5
 3169    HZ1  LYS  33           HZ2      LYS  33  18.607  11.326  -5.996
  Start of MODEL    5
 3170    HZ3  LYS  33           HZ3      LYS  33  18.397   9.712  -5.534
  Start of MODEL    5
 3171    H    PHE  34           H        PHE  34  11.519   9.481  -3.158
  Start of MODEL    5
 3172    HA   PHE  34           HA       PHE  34   9.675   9.930  -5.236
  Start of MODEL    5
 3173    HB3  PHE  34           HB2      PHE  34   8.024   8.999  -3.384
  Start of MODEL    5
 3174    HB2  PHE  34           HB3      PHE  34   9.507   8.725  -2.480
  Start of MODEL    5
 3175    HD1  PHE  34           HD1      PHE  34   9.316   6.362  -2.393
  Start of MODEL    5
 3176    HD2  PHE  34           HD2      PHE  34   9.246   8.374  -6.143
  Start of MODEL    5
 3177    HE1  PHE  34           HE1      PHE  34   9.537   4.215  -3.547
  Start of MODEL    5
 3178    HE2  PHE  34           HE2      PHE  34   9.472   6.233  -7.299
  Start of MODEL    5
 3179    HZ   PHE  34           HZ       PHE  34   9.623   4.144  -6.007
  Start of MODEL    5
 3180    H    GLU  35           H        GLU  35   9.204  10.839  -1.821
  Start of MODEL    5
 3181    HA   GLU  35           HA       GLU  35   7.244  12.498  -1.654
  Start of MODEL    5
 3182    HB2  GLU  35           HB2      GLU  35  10.030  13.086  -0.694
  Start of MODEL    5
 3183    HB3  GLU  35           HB3      GLU  35   8.690  14.155  -0.305
  Start of MODEL    5
 3184    HG2  GLU  35           HG2      GLU  35   7.539  12.392   0.845
  Start of MODEL    5
 3185    HG3  GLU  35           HG3      GLU  35   8.752  11.217   0.339
  Start of MODEL    5
 3186    H    HIS  36           H        HIS  36  10.239  13.723  -3.193
  Start of MODEL    5
 3187    HA   HIS  36           HA       HIS  36   9.447  16.309  -3.756
  Start of MODEL    5
 3188    HB2  HIS  36           HB2      HIS  36  11.056  14.646  -5.697
  Start of MODEL    5
 3189    HB3  HIS  36           HB3      HIS  36  11.139  16.386  -5.440
  Start of MODEL    5
 3190    HD1  HIS  36           HD1      HIS  36  11.738  16.739  -2.576
  Start of MODEL    5
 3191    HD2  HIS  36           HD2      HIS  36  13.270  13.562  -4.772
  Start of MODEL    5
 3192    HE1  HIS  36           HE1      HIS  36  13.789  15.993  -1.324
  Start of MODEL    5
 3193    HE2  HIS  36           HE2      HIS  36  14.759  14.133  -2.725
  Start of MODEL    5
 3194    H    HIS  37           H        HIS  37   9.244  13.595  -6.067
  Start of MODEL    5
 3195    HA   HIS  37           HA       HIS  37   7.611  15.066  -7.897
  Start of MODEL    5
 3196    HB2  HIS  37           HB2      HIS  37   7.874  12.081  -7.996
  Start of MODEL    5
 3197    HB3  HIS  37           HB3      HIS  37   7.766  13.235  -9.322
  Start of MODEL    5
 3198    HD1  HIS  37           HD1      HIS  37   9.936  14.486  -9.938
  Start of MODEL    5
 3199    HD2  HIS  37           HD2      HIS  37  10.370  11.608  -6.982
  Start of MODEL    5
 3200    HE1  HIS  37           HE1      HIS  37  12.385  14.162  -9.676
  Start of MODEL    5
 3201    HE2  HIS  37           HE2      HIS  37  12.649  12.294  -8.013
  Start of MODEL    5
 3202    H    PHE  38           H        PHE  38   7.014  12.832  -5.286
  Start of MODEL    5
 3203    HA   PHE  38           HA       PHE  38   4.336  12.181  -6.008
  Start of MODEL    5
 3204    HB2  PHE  38           HB2      PHE  38   5.891  11.883  -3.436
  Start of MODEL    5
 3205    HB3  PHE  38           HB3      PHE  38   4.217  11.362  -3.614
  Start of MODEL    5
 3206    HD1  PHE  38           HD1      PHE  38   5.142   9.126  -2.857
  Start of MODEL    5
 3207    HD2  PHE  38           HD2      PHE  38   6.216  10.925  -6.622
  Start of MODEL    5
 3208    HE1  PHE  38           HE1      PHE  38   5.887   6.955  -3.701
  Start of MODEL    5
 3209    HE2  PHE  38           HE2      PHE  38   6.915   8.722  -7.447
  Start of MODEL    5
 3210    HZ   PHE  38           HZ       PHE  38   6.754   6.743  -5.996
  Start of MODEL    5
 3211    H    GLU  39           H        GLU  39   5.739  14.944  -4.487
  Start of MODEL    5
 3212    HA   GLU  39           HA       GLU  39   3.463  15.721  -2.939
  Start of MODEL    5
 3213    HB2  GLU  39           HB2      GLU  39   5.879  16.515  -2.638
  Start of MODEL    5
 3214    HB3  GLU  39           HB3      GLU  39   5.587  17.590  -3.997
  Start of MODEL    5
 3215    HG3  GLU  39           HG2      GLU  39   4.036  17.576  -1.414
  Start of MODEL    5
 3216    HG2  GLU  39           HG3      GLU  39   3.784  18.673  -2.770
  Start of MODEL    5
 3217    H    GLU  40           H        GLU  40   4.737  16.781  -6.097
  Start of MODEL    5
 3218    HA   GLU  40           HA       GLU  40   2.567  18.526  -6.668
  Start of MODEL    5
 3219    HB2  GLU  40           HB2      GLU  40   3.482  18.672  -8.884
  Start of MODEL    5
 3220    HB3  GLU  40           HB3      GLU  40   4.806  18.688  -7.736
  Start of MODEL    5
 3221    HG3  GLU  40           HG2      GLU  40   4.272  16.896  -9.924
  Start of MODEL    5
 3222    HG2  GLU  40           HG3      GLU  40   4.450  16.005  -8.415
  Start of MODEL    5
 3223    H    SER  41           H        SER  41   3.010  15.155  -6.858
  Start of MODEL    5
 3224    HA   SER  41           HA       SER  41   1.225  14.474  -8.927
  Start of MODEL    5
 3225    HB2  SER  41           HB2      SER  41   1.600  12.283  -8.326
  Start of MODEL    5
 3226    HB3  SER  41           HB3      SER  41   3.025  13.059  -7.643
  Start of MODEL    5
 3227    HG   SER  41           HG       SER  41   2.196  11.793  -6.049
  Start of MODEL    5
 3228    H    SER  42           H        SER  42   0.553  15.649  -5.773
  Start of MODEL    5
 3229    HA   SER  42           HA       SER  42  -1.545  14.454  -4.718
  Start of MODEL    5
 3230    HB3  SER  42           HB2      SER  42  -0.941  17.315  -5.118
  Start of MODEL    5
 3231    HB2  SER  42           HB3      SER  42  -1.300  16.428  -3.639
  Start of MODEL    5
 3232    HG   SER  42           HG       SER  42  -2.942  17.943  -4.203
  Start of MODEL    5
 3233    HA   PRO  43           HA       PRO  43  -4.864  16.078  -7.947
  Start of MODEL    5
 3234    HB2  PRO  43           HB2      PRO  43  -3.119  16.510 -10.289
  Start of MODEL    5
 3235    HB3  PRO  43           HB3      PRO  43  -4.515  17.441  -9.746
  Start of MODEL    5
 3236    HG3  PRO  43           HG2      PRO  43  -3.283  18.561  -8.114
  Start of MODEL    5
 3237    HG2  PRO  43           HG3      PRO  43  -2.079  18.411  -9.409
  Start of MODEL    5
 3238    HD2  PRO  43           HD2      PRO  43  -1.026  16.600  -8.374
  Start of MODEL    5
 3239    HD3  PRO  43           HD3      PRO  43  -1.533  17.543  -6.958
  Start of MODEL    5
 3240    H    CYS  44           H        CYS  44  -2.082  14.194  -9.122
  Start of MODEL    5
 3241    HA   CYS  44           HA       CYS  44  -3.799  12.501 -10.743
  Start of MODEL    5
 3242    HB2  CYS  44           HB2      CYS  44  -1.567  12.903 -11.595
  Start of MODEL    5
 3243    HB3  CYS  44           HB3      CYS  44  -0.847  12.407 -10.066
  Start of MODEL    5
 3244    H    LEU  45           H        LEU  45  -2.007  12.422  -7.747
  Start of MODEL    5
 3245    HA   LEU  45           HA       LEU  45  -2.503   9.730  -7.094
  Start of MODEL    5
 3246    HB3  LEU  45           HB2      LEU  45  -1.868  11.490  -4.877
  Start of MODEL    5
 3247    HB2  LEU  45           HB3      LEU  45  -0.868  11.804  -6.274
  Start of MODEL    5
 3248    HG   LEU  45           HG       LEU  45  -1.194   9.090  -5.161
  Start of MODEL    5
 3249   HD12  LEU  45          HD11      LEU  45   0.987   8.741  -6.332
  Start of MODEL    5
 3250   HD11  LEU  45          HD12      LEU  45   0.760  10.332  -7.059
  Start of MODEL    5
 3251   HD13  LEU  45          HD13      LEU  45  -0.392   9.039  -7.390
  Start of MODEL    5
 3252   HD21  LEU  45          HD21      LEU  45  -0.112  11.063  -3.697
  Start of MODEL    5
 3253   HD23  LEU  45          HD22      LEU  45   1.296  10.556  -4.627
  Start of MODEL    5
 3254   HD22  LEU  45          HD23      LEU  45   0.433   9.390  -3.630
  Start of MODEL    5
 3255    H    GLU  46           H        GLU  46  -4.614  12.364  -7.091
  Start of MODEL    5
 3256    HA   GLU  46           HA       GLU  46  -6.260  11.111  -4.977
  Start of MODEL    5
 3257    HB3  GLU  46           HB2      GLU  46  -7.350  13.326  -4.704
  Start of MODEL    5
 3258    HB2  GLU  46           HB3      GLU  46  -6.223  14.004  -5.872
  Start of MODEL    5
 3259    HG2  GLU  46           HG2      GLU  46  -4.691  12.651  -3.936
  Start of MODEL    5
 3260    HG3  GLU  46           HG3      GLU  46  -4.780  14.386  -4.250
  Start of MODEL    5
 3261    H    LYS  47           H        LYS  47  -5.827  10.975  -7.967
  Start of MODEL    5
 3262    HA   LYS  47           HA       LYS  47  -8.586  11.252  -8.930
  Start of MODEL    5
 3263    HB3  LYS  47           HB2      LYS  47  -7.417  10.549 -11.198
  Start of MODEL    5
 3264    HB2  LYS  47           HB3      LYS  47  -5.972  11.118 -10.379
  Start of MODEL    5
 3265    HG3  LYS  47           HG2      LYS  47  -8.119  12.616 -11.612
  Start of MODEL    5
 3266    HG2  LYS  47           HG3      LYS  47  -6.501  13.137 -11.143
  Start of MODEL    5
 3267    HD3  LYS  47           HD2      LYS  47  -7.324  13.324  -8.788
  Start of MODEL    5
 3268    HD2  LYS  47           HD3      LYS  47  -8.951  12.996  -9.388
  Start of MODEL    5
 3269    HE3  LYS  47           HE2      LYS  47  -7.233  15.290 -10.312
  Start of MODEL    5
 3270    HE2  LYS  47           HE3      LYS  47  -8.476  15.409  -9.072
  Start of MODEL    5
 3271    HZ3  LYS  47           HZ1      LYS  47  -8.887  14.700 -11.925
  Start of MODEL    5
 3272    HZ2  LYS  47           HZ2      LYS  47  -9.383  16.119 -11.150
  Start of MODEL    5
 3273    HZ1  LYS  47           HZ3      LYS  47 -10.099  14.641 -10.746
  Start of MODEL    5
 3274    H    TYR  48           H        TYR  48  -6.448   9.007  -7.740
  Start of MODEL    5
 3275    HA   TYR  48           HA       TYR  48  -8.239   6.811  -8.503
  Start of MODEL    5
 3276    HB2  TYR  48           HB2      TYR  48  -5.220   6.734  -8.720
  Start of MODEL    5
 3277    HB3  TYR  48           HB3      TYR  48  -6.256   5.309  -8.802
  Start of MODEL    5
 3278    HD1  TYR  48           HD1      TYR  48  -7.925   5.113 -10.675
  Start of MODEL    5
 3279    HD2  TYR  48           HD2      TYR  48  -4.897   8.103 -10.638
  Start of MODEL    5
 3280    HE1  TYR  48           HE1      TYR  48  -8.253   5.465 -13.083
  Start of MODEL    5
 3281    HE2  TYR  48           HE2      TYR  48  -5.217   8.462 -13.049
  Start of MODEL    5
 3282    HH   TYR  48           HH       TYR  48  -6.354   6.600 -15.055
  Start of MODEL    5
 3283    H    GLY  49           H        GLY  49  -6.211   8.313  -6.135
  Start of MODEL    5
 3284    HA3  GLY  49           HA2      GLY  49  -7.170   6.414  -4.149
  Start of MODEL    5
 3285    HA2  GLY  49           HA3      GLY  49  -6.507   8.009  -3.825
  Start of MODEL    5
 3286    H    LEU  50           H        LEU  50  -4.156   7.802  -5.367
  Start of MODEL    5
 3287    HA   LEU  50           HA       LEU  50  -2.715   5.488  -4.359
  Start of MODEL    5
 3288    HB3  LEU  50           HB2      LEU  50  -0.782   6.645  -5.622
  Start of MODEL    5
 3289    HB2  LEU  50           HB3      LEU  50  -2.023   7.703  -6.262
  Start of MODEL    5
 3290    HG   LEU  50           HG       LEU  50  -3.153   5.810  -7.301
  Start of MODEL    5
 3291   HD12  LEU  50          HD11      LEU  50  -1.082   5.062  -8.750
  Start of MODEL    5
 3292   HD11  LEU  50          HD12      LEU  50  -0.286   6.364  -7.868
  Start of MODEL    5
 3293   HD13  LEU  50          HD13      LEU  50  -1.720   6.703  -8.836
  Start of MODEL    5
 3294   HD21  LEU  50          HD21      LEU  50  -1.130   4.231  -5.780
  Start of MODEL    5
 3295   HD23  LEU  50          HD22      LEU  50  -1.702   3.623  -7.334
  Start of MODEL    5
 3296   HD22  LEU  50          HD23      LEU  50  -2.850   3.926  -6.032
  Start of MODEL    5
 3297    H    GLU  51           H        GLU  51  -3.197   8.813  -3.477
  Start of MODEL    5
 3298    HA   GLU  51           HA       GLU  51  -0.851   9.546  -2.236
  Start of MODEL    5
 3299    HB2  GLU  51           HB2      GLU  51  -3.723  10.057  -1.647
  Start of MODEL    5
 3300    HB3  GLU  51           HB3      GLU  51  -2.576  10.444  -0.373
  Start of MODEL    5
 3301    HG3  GLU  51           HG2      GLU  51  -2.853  11.646  -3.093
  Start of MODEL    5
 3302    HG2  GLU  51           HG3      GLU  51  -1.317  11.731  -2.232
  Start of MODEL    5
 3303    H    GLN  52           H        GLN  52  -3.462   7.852  -0.642
  Start of MODEL    5
 3304    HA   GLN  52           HA       GLN  52  -2.283   7.203   1.775
  Start of MODEL    5
 3305    HB3  GLN  52           HB2      GLN  52  -3.992   5.670   2.137
  Start of MODEL    5
 3306    HB2  GLN  52           HB3      GLN  52  -4.018   5.145   0.461
  Start of MODEL    5
 3307    HG3  GLN  52           HG2      GLN  52  -5.650   6.542  -0.029
  Start of MODEL    5
 3308    HG2  GLN  52           HG3      GLN  52  -4.761   7.907   0.637
  Start of MODEL    5
 3309   HE21  GLN  52          HE21      GLN  52  -5.037   8.435   2.853
  Start of MODEL    5
 3310   HE22  GLN  52          HE22      GLN  52  -6.449   7.935   3.714
  Start of MODEL    5
 3311    H    ALA  53           H        ALA  53  -1.950   5.609  -1.334
  Start of MODEL    5
 3312    HA   ALA  53           HA       ALA  53  -0.518   3.345  -0.332
  Start of MODEL    5
 3313    HB2  ALA  53           HB1      ALA  53  -0.063   2.846  -2.704
  Start of MODEL    5
 3314    HB1  ALA  53           HB2      ALA  53  -0.786   4.393  -3.143
  Start of MODEL    5
 3315    HB3  ALA  53           HB3      ALA  53  -1.769   3.146  -2.378
  Start of MODEL    5
 3316    H    VAL  54           H        VAL  54   0.605   6.044  -2.402
  Start of MODEL    5
 3317    HA   VAL  54           HA       VAL  54   3.328   5.416  -2.286
  Start of MODEL    5
 3318    HB   VAL  54           HB       VAL  54   3.820   7.394  -3.321
  Start of MODEL    5
 3319    H    LYS  55           H        LYS  55   1.394   7.150   0.062
  Start of MODEL    5
 3320    HA   LYS  55           HA       LYS  55   3.420   8.394   1.542
  Start of MODEL    5
 3321    HB3  LYS  55           HB2      LYS  55   1.871   8.296   3.439
  Start of MODEL    5
 3322    HB2  LYS  55           HB3      LYS  55   0.920   7.066   2.621
  Start of MODEL    5
 3323    HG2  LYS  55           HG2      LYS  55   0.827   8.995   0.769
  Start of MODEL    5
 3324    HG3  LYS  55           HG3      LYS  55  -0.370   8.814   2.057
  Start of MODEL    5
 3325    HD3  LYS  55           HD2      LYS  55   1.882  10.774   1.746
  Start of MODEL    5
 3326    HD2  LYS  55           HD3      LYS  55   1.334  10.349   3.371
  Start of MODEL    5
 3327    HE3  LYS  55           HE2      LYS  55   0.051  12.214   2.877
  Start of MODEL    5
 3328    HE2  LYS  55           HE3      LYS  55  -1.030  10.886   2.462
  Start of MODEL    5
 3329    HZ1  LYS  55           HZ1      LYS  55  -0.423  11.149   0.145
  Start of MODEL    5
 3330    HZ3  LYS  55           HZ2      LYS  55   0.644  12.403   0.533
  Start of MODEL    5
 3331    HZ2  LYS  55           HZ3      LYS  55  -1.018  12.608   0.762
  Start of MODEL    5
 3332    H    LYS  56           H        LYS  56   2.197   5.147   1.512
  Start of MODEL    5
 3333    HA   LYS  56           HA       LYS  56   3.686   4.133   3.692
  Start of MODEL    5
 3334    HB2  LYS  56           HB2      LYS  56   2.248   2.816   1.421
  Start of MODEL    5
 3335    HB3  LYS  56           HB3      LYS  56   3.300   1.858   2.452
  Start of MODEL    5
 3336    HG2  LYS  56           HG2      LYS  56   1.013   1.715   3.222
  Start of MODEL    5
 3337    HG3  LYS  56           HG3      LYS  56   2.001   2.555   4.415
  Start of MODEL    5
 3338    HD2  LYS  56           HD2      LYS  56   0.970   4.492   2.627
  Start of MODEL    5
 3339    HD3  LYS  56           HD3      LYS  56  -0.366   3.449   3.095
  Start of MODEL    5
 3340    HE3  LYS  56           HE2      LYS  56  -0.065   3.956   5.394
  Start of MODEL    5
 3341    HE2  LYS  56           HE3      LYS  56  -0.018   5.490   4.516
  Start of MODEL    5
 3342    HZ3  LYS  56           HZ1      LYS  56   2.328   3.992   5.560
  Start of MODEL    5
 3343    HZ2  LYS  56           HZ2      LYS  56   1.710   5.447   6.154
  Start of MODEL    5
 3344    HZ1  LYS  56           HZ3      LYS  56   2.418   5.397   4.622
  Start of MODEL    5
 3345    H    LEU  57           H        LEU  57   4.364   4.451   0.236
  Start of MODEL    5
 3346    HA   LEU  57           HA       LEU  57   6.801   3.000   0.196
  Start of MODEL    5
 3347    HB2  LEU  57           HB2      LEU  57   6.029   5.323  -1.544
  Start of MODEL    5
 3348    HB3  LEU  57           HB3      LEU  57   7.247   4.132  -1.889
  Start of MODEL    5
 3349    HG   LEU  57           HG       LEU  57   4.427   4.089  -2.448
  Start of MODEL    5
 3350   HD12  LEU  57          HD11      LEU  57   6.391   2.027  -3.348
  Start of MODEL    5
 3351   HD11  LEU  57          HD12      LEU  57   6.575   3.724  -3.873
  Start of MODEL    5
 3352   HD13  LEU  57          HD13      LEU  57   5.095   2.837  -4.246
  Start of MODEL    5
 3353   HD21  LEU  57          HD21      LEU  57   5.545   1.809  -0.875
  Start of MODEL    5
 3354   HD23  LEU  57          HD22      LEU  57   4.267   1.567  -2.064
  Start of MODEL    5
 3355   HD22  LEU  57          HD23      LEU  57   3.999   2.632  -0.687
  Start of MODEL    5
 3356    H    VAL  58           H        VAL  58   5.952   6.373   0.732
  Start of MODEL    5
 3357    HA   VAL  58           HA       VAL  58   8.485   7.521   0.751
  Start of MODEL    5
 3358    HB   VAL  58           HB       VAL  58   6.109   8.215   2.497
  Start of MODEL    5
 3359    H    LYS  59           H        LYS  59   6.797   5.779   3.309
  Start of MODEL    5
 3360    HA   LYS  59           HA       LYS  59   8.449   6.146   5.474
  Start of MODEL    5
 3361    HB3  LYS  59           HB2      LYS  59   6.635   3.982   4.564
  Start of MODEL    5
 3362    HB2  LYS  59           HB3      LYS  59   6.500   5.044   5.944
  Start of MODEL    5
 3363    HG3  LYS  59           HG2      LYS  59   7.110   3.248   7.150
  Start of MODEL    5
 3364    HG2  LYS  59           HG3      LYS  59   8.744   3.549   6.544
  Start of MODEL    5
 3365    HD2  LYS  59           HD2      LYS  59   8.012   2.158   4.513
  Start of MODEL    5
 3366    HD3  LYS  59           HD3      LYS  59   8.401   1.321   6.016
  Start of MODEL    5
 3367    HE2  LYS  59           HE2      LYS  59   6.178   0.843   6.483
  Start of MODEL    5
 3368    HE3  LYS  59           HE3      LYS  59   5.578   2.130   5.432
  Start of MODEL    5
 3369    HZ2  LYS  59           HZ1      LYS  59   5.247  -0.126   4.527
  Start of MODEL    5
 3370    HZ1  LYS  59           HZ2      LYS  59   6.924  -0.330   4.454
  Start of MODEL    5
 3371    HZ3  LYS  59           HZ3      LYS  59   6.176   0.860   3.514
  Start of MODEL    5
 3372    H    ARG  60           H        ARG  60   8.949   4.011   2.709
  Start of MODEL    5
 3373    HA   ARG  60           HA       ARG  60  10.767   2.194   3.512
  Start of MODEL    5
 3374    HB3  ARG  60           HB2      ARG  60  11.877   2.365   1.317
  Start of MODEL    5
 3375    HB2  ARG  60           HB3      ARG  60  11.090   3.911   1.044
  Start of MODEL    5
 3376    HG2  ARG  60           HG2      ARG  60   9.011   2.145   1.650
  Start of MODEL    5
 3377    HG3  ARG  60           HG3      ARG  60   9.425   2.818   0.071
  Start of MODEL    5
 3378    HD3  ARG  60           HD2      ARG  60   9.928   0.134   1.189
  Start of MODEL    5
 3379    HD2  ARG  60           HD3      ARG  60  11.198   0.814   0.174
  Start of MODEL    5
 3380    HE   ARG  60           HE       ARG  60   8.802   1.153  -1.186
  Start of MODEL    5
 3381   HH11  ARG  60          HH11      ARG  60  10.769  -1.518  -0.059
  Start of MODEL    5
 3382   HH12  ARG  60          HH12      ARG  60  10.253  -2.586  -1.318
  Start of MODEL    5
 3383   HH22  ARG  60          HH21      ARG  60   8.758  -1.875  -2.894
  Start of MODEL    5
 3384   HH21  ARG  60          HH22      ARG  60   8.130  -0.262  -2.838
  Start of MODEL    5
 3385    H    ALA  61           H        ALA  61  11.574   5.566   2.787
  Start of MODEL    5
 3386    HA   ALA  61           HA       ALA  61  13.775   6.491   2.931
  Start of MODEL    5
 3387    HB2  ALA  61           HB1      ALA  61  13.726   7.470   5.262
  Start of MODEL    5
 3388    HB1  ALA  61           HB2      ALA  61  12.297   6.472   5.550
  Start of MODEL    5
 3389    HB3  ALA  61           HB3      ALA  61  12.276   7.705   4.286
  Start of MODEL    5
 3390    H    ALA  62           H        ALA  62  13.978   5.524   6.259
  Start of MODEL    5
 3391    HA   ALA  62           HA       ALA  62  15.946   3.464   5.775
  Start of MODEL    5
 3392    HB3  ALA  62           HB1      ALA  62  17.272   5.498   5.543
  Start of MODEL    5
 3393    HB2  ALA  62           HB2      ALA  62  17.738   4.601   6.988
  Start of MODEL    5
 3394    HB1  ALA  62           HB3      ALA  62  16.729   6.041   7.131
  Start of MODEL    5
 3395    H    GLY  63           H        GLY  63  14.697   5.659   8.327
  Start of MODEL    5
 3396    HA2  GLY  63           HA2      GLY  63  15.148   4.048  10.539
  Start of MODEL    5
 3397    HA3  GLY  63           HA3      GLY  63  13.820   5.198  10.408
  Start of MODEL    5
 3398    H    GLN  64           H        GLN  64  11.907   4.386   9.101
  Start of MODEL    5
 3399    HA   GLN  64           HA       GLN  64  10.925   1.969  10.226
  Start of MODEL    5
 3400    HB2  GLN  64           HB2      GLN  64   9.939   3.789   8.032
  Start of MODEL    5
 3401    HB3  GLN  64           HB3      GLN  64   9.063   2.333   8.500
  Start of MODEL    5
 3402    HG3  GLN  64           HG2      GLN  64   9.635   4.760  10.178
  Start of MODEL    5
 3403    HG2  GLN  64           HG3      GLN  64   9.005   3.252  10.842
  Start of MODEL    5
 3404   HE21  GLN  64          HE21      GLN  64   6.902   2.593  10.291
  Start of MODEL    5
 3405   HE22  GLN  64          HE22      GLN  64   5.746   3.705   9.650
  Start of MODEL    5
 3406    H    ASP  65           H        ASP  65  11.323   2.758   6.796
  Start of MODEL    5
 3407    HA   ASP  65           HA       ASP  65  11.676   1.419   4.979
  Start of MODEL    5
 3408    HB3  ASP  65           HB2      ASP  65  13.926   0.413   6.717
  Start of MODEL    5
 3409    HB2  ASP  65           HB3      ASP  65  13.884   2.018   5.995
  Start of MODEL    5
 3410    H    ASP  66           H        ASP  66   9.734   0.178   6.677
  Start of MODEL    5
 3411    HA   ASP  66           HA       ASP  66   9.999  -2.407   7.353
  Start of MODEL    5
 3412    HB2  ASP  66           HB2      ASP  66   7.849  -0.753   6.771
  Start of MODEL    5
 3413    HB3  ASP  66           HB3      ASP  66   7.656  -2.104   5.664
  Start of MODEL    5
 3414    H    VAL  67           H        VAL  67   9.794  -1.127   4.072
  Start of MODEL    5
 3415    HA   VAL  67           HA       VAL  67   9.783  -2.201   2.011
  Start of MODEL    5
 3416    HB   VAL  67           HB       VAL  67  12.019  -2.995   1.459
  Start of MODEL    5
 3417    HA   PRO  68           HA       PRO  68   8.545  -6.425   3.183
  Start of MODEL    5
 3418    HB2  PRO  68           HB2      PRO  68   6.060  -6.342   2.170
  Start of MODEL    5
 3419    HB3  PRO  68           HB3      PRO  68   6.449  -5.705   3.770
  Start of MODEL    5
 3420    HG2  PRO  68           HG2      PRO  68   5.952  -4.260   1.221
  Start of MODEL    5
 3421    HG3  PRO  68           HG3      PRO  68   5.578  -3.773   2.882
  Start of MODEL    5
 3422    HD3  PRO  68           HD2      PRO  68   7.584  -2.722   3.118
  Start of MODEL    5
 3423    HD2  PRO  68           HD3      PRO  68   7.765  -2.911   1.360
  Start of MODEL    5
 3424    H    GLY  69           H        GLY  69   9.225  -4.781   0.348
  Start of MODEL    5
 3425    HA2  GLY  69           HA2      GLY  69   9.916  -5.596  -1.702
  Start of MODEL    5
 3426    HA3  GLY  69           HA3      GLY  69   9.587  -7.224  -1.123
  Start of MODEL    5
 3427    H    ASP  70           H        ASP  70   6.950  -7.061  -0.462
  Start of MODEL    5
 3428    HA   ASP  70           HA       ASP  70   5.681  -7.223  -3.008
  Start of MODEL    5
 3429    HB2  ASP  70           HB2      ASP  70   4.984  -7.858  -0.202
  Start of MODEL    5
 3430    HB3  ASP  70           HB3      ASP  70   3.627  -7.447  -1.250
  Start of MODEL    5
 3431    H    LEU  71           H        LEU  71   6.368  -4.481  -1.153
  Start of MODEL    5
 3432    HA   LEU  71           HA       LEU  71   3.863  -3.149  -1.345
  Start of MODEL    5
 3433    HB2  LEU  71           HB2      LEU  71   5.917  -2.543   0.110
  Start of MODEL    5
 3434    HB3  LEU  71           HB3      LEU  71   6.554  -1.784  -1.342
  Start of MODEL    5
 3435    HG   LEU  71           HG       LEU  71   5.154  -0.026  -1.219
  Start of MODEL    5
 3436   HD12  LEU  71          HD11      LEU  71   2.876  -0.066  -0.250
  Start of MODEL    5
 3437   HD11  LEU  71          HD12      LEU  71   3.089  -1.785   0.085
  Start of MODEL    5
 3438   HD13  LEU  71          HD13      LEU  71   3.099  -1.203  -1.581
  Start of MODEL    5
 3439   HD23  LEU  71          HD21      LEU  71   5.040  -0.972   1.640
  Start of MODEL    5
 3440   HD22  LEU  71          HD22      LEU  71   4.776   0.681   1.084
  Start of MODEL    5
 3441   HD21  LEU  71          HD23      LEU  71   6.362  -0.068   0.899
  Start of MODEL    5
 3442    H    ARG  72           H        ARG  72   6.824  -3.091  -3.246
  Start of MODEL    5
 3443    HA   ARG  72           HA       ARG  72   6.037  -1.384  -5.302
  Start of MODEL    5
 3444    HB2  ARG  72           HB2      ARG  72   8.346  -2.428  -4.846
  Start of MODEL    5
 3445    HB3  ARG  72           HB3      ARG  72   7.751  -3.787  -5.771
  Start of MODEL    5
 3446    HG3  ARG  72           HG2      ARG  72   9.122  -1.791  -6.857
  Start of MODEL    5
 3447    HG2  ARG  72           HG3      ARG  72   7.502  -1.112  -6.996
  Start of MODEL    5
 3448    HD3  ARG  72           HD2      ARG  72   8.557  -2.623  -8.895
  Start of MODEL    5
 3449    HD2  ARG  72           HD3      ARG  72   6.832  -2.649  -8.532
  Start of MODEL    5
 3450    HE   ARG  72           HE       ARG  72   7.048  -4.807  -7.811
  Start of MODEL    5
 3451   HH11  ARG  72          HH11      ARG  72  10.256  -3.407  -7.982
  Start of MODEL    5
 3452   HH12  ARG  72          HH12      ARG  72  11.058  -4.914  -7.709
  Start of MODEL    5
 3453   HH21  ARG  72          HH21      ARG  72   8.116  -6.783  -7.447
  Start of MODEL    5
 3454   HH22  ARG  72          HH22      ARG  72   9.847  -6.829  -7.404
  Start of MODEL    5
 3455    H    ALA  73           H        ALA  73   5.953  -4.924  -5.228
  Start of MODEL    5
 3456    HA   ALA  73           HA       ALA  73   4.681  -5.420  -7.627
  Start of MODEL    5
 3457    HB1  ALA  73           HB1      ALA  73   4.318  -6.962  -5.053
  Start of MODEL    5
 3458    HB3  ALA  73           HB2      ALA  73   5.612  -7.199  -6.228
  Start of MODEL    5
 3459    HB2  ALA  73           HB3      ALA  73   3.942  -7.553  -6.672
  Start of MODEL    5
 3460    H    LYS  74           H        LYS  74   3.393  -4.346  -4.611
  Start of MODEL    5
 3461    HA   LYS  74           HA       LYS  74   0.625  -4.625  -5.330
  Start of MODEL    5
 3462    HB2  LYS  74           HB2      LYS  74   1.634  -4.582  -2.947
  Start of MODEL    5
 3463    HB3  LYS  74           HB3      LYS  74   1.672  -2.835  -3.137
  Start of MODEL    5
 3464    HG3  LYS  74           HG2      LYS  74  -0.831  -3.053  -3.700
  Start of MODEL    5
 3465    HG2  LYS  74           HG3      LYS  74  -0.321  -3.219  -2.019
  Start of MODEL    5
 3466    HD3  LYS  74           HD2      LYS  74  -0.431  -5.627  -2.176
  Start of MODEL    5
 3467    HD2  LYS  74           HD3      LYS  74  -0.796  -5.532  -3.899
  Start of MODEL    5
 3468    HE2  LYS  74           HE2      LYS  74  -2.857  -4.200  -3.240
  Start of MODEL    5
 3469    HE3  LYS  74           HE3      LYS  74  -2.864  -5.919  -2.850
  Start of MODEL    5
 3470    HZ2  LYS  74           HZ1      LYS  74  -3.679  -4.674  -0.989
  Start of MODEL    5
 3471    HZ1  LYS  74           HZ2      LYS  74  -2.305  -3.688  -0.971
  Start of MODEL    5
 3472    HZ3  LYS  74           HZ3      LYS  74  -2.174  -5.329  -0.578
  Start of MODEL    5
 3473    H    VAL  75           H        VAL  75   3.009  -2.043  -5.143
  Start of MODEL    5
 3474    HA   VAL  75           HA       VAL  75   1.306   0.076  -5.981
  Start of MODEL    5
 3475    HB   VAL  75           HB       VAL  75   4.319  -0.138  -6.210
  Start of MODEL    5
 3476    H    MET  76           H        MET  76   3.860  -1.684  -7.796
  Start of MODEL    5
 3477    HA   MET  76           HA       MET  76   3.324  -0.609 -10.291
  Start of MODEL    5
 3478    HB3  MET  76           HB2      MET  76   5.279  -2.027  -9.830
  Start of MODEL    5
 3479    HB2  MET  76           HB3      MET  76   4.412  -2.577 -11.253
  Start of MODEL    5
 3480    HG3  MET  76           HG2      MET  76   3.619  -3.874  -8.744
  Start of MODEL    5
 3481    HG2  MET  76           HG3      MET  76   5.287  -4.157  -9.227
  Start of MODEL    5
 3482    HE1  MET  76           HE1      MET  76   5.966  -5.988 -10.868
  Start of MODEL    5
 3483    HE3  MET  76           HE2      MET  76   5.730  -4.638 -11.978
  Start of MODEL    5
 3484    HE2  MET  76           HE3      MET  76   5.097  -6.234 -12.382
  Start of MODEL    5
 3485    H    GLY  77           H        GLY  77   1.829  -3.381  -8.701
  Start of MODEL    5
 3486    HA2  GLY  77           HA2      GLY  77   0.140  -4.173 -10.809
  Start of MODEL    5
 3487    HA3  GLY  77           HA3      GLY  77  -0.112  -4.542  -9.114
  Start of MODEL    5
 3488    H    ARG  78           H        ARG  78  -0.203  -1.672  -8.342
  Start of MODEL    5
 3489    HA   ARG  78           HA       ARG  78  -2.985  -1.221  -8.814
  Start of MODEL    5
 3490    HB3  ARG  78           HB2      ARG  78  -2.532   0.939  -7.589
  Start of MODEL    5
 3491    HB2  ARG  78           HB3      ARG  78  -0.851   0.446  -7.492
  Start of MODEL    5
 3492    HG2  ARG  78           HG2      ARG  78  -2.350  -1.717  -6.505
  Start of MODEL    5
 3493    HG3  ARG  78           HG3      ARG  78  -1.312  -0.613  -5.601
  Start of MODEL    5
 3494    HD3  ARG  78           HD2      ARG  78  -4.268  -0.344  -6.124
  Start of MODEL    5
 3495    HD2  ARG  78           HD3      ARG  78  -3.275   0.945  -5.438
  Start of MODEL    5
 3496    HE   ARG  78           HE       ARG  78  -4.254  -1.386  -4.094
  Start of MODEL    5
 3497   HH11  ARG  78          HH11      ARG  78  -1.664   0.976  -4.104
  Start of MODEL    5
 3498   HH12  ARG  78          HH12      ARG  78  -1.297   0.755  -2.427
  Start of MODEL    5
 3499   HH22  ARG  78          HH21      ARG  78  -2.485  -0.742  -1.173
  Start of MODEL    5
 3500   HH21  ARG  78          HH22      ARG  78  -3.762  -1.666  -1.891
  Start of MODEL    5
 3501    H    LEU  79           H        LEU  79   0.105   0.192  -9.865
  Start of MODEL    5
 3502    HA   LEU  79           HA       LEU  79  -0.977   2.274 -11.435
  Start of MODEL    5
 3503    HB3  LEU  79           HB2      LEU  79   1.611   0.764 -11.458
  Start of MODEL    5
 3504    HB2  LEU  79           HB3      LEU  79   1.323   2.460 -11.129
  Start of MODEL    5
 3505    HG   LEU  79           HG       LEU  79   1.435   1.080 -13.811
  Start of MODEL    5
 3506   HD12  LEU  79          HD11      LEU  79   3.432   2.021 -14.065
  Start of MODEL    5
 3507   HD11  LEU  79          HD12      LEU  79   3.392   2.277 -12.319
  Start of MODEL    5
 3508   HD13  LEU  79          HD13      LEU  79   2.894   3.567 -13.413
  Start of MODEL    5
 3509   HD23  LEU  79          HD21      LEU  79  -0.177   2.474 -14.491
  Start of MODEL    5
 3510   HD22  LEU  79          HD22      LEU  79   1.078   3.707 -14.428
  Start of MODEL    5
 3511   HD21  LEU  79          HD23      LEU  79  -0.031   3.508 -13.073
  Start of MODEL    5
 3512    H    ASP  80           H        ASP  80   0.155  -0.970 -12.356
  Start of MODEL    5
 3513    HA   ASP  80           HA       ASP  80  -0.660  -1.037 -14.979
  Start of MODEL    5
 3514    HB3  ASP  80           HB2      ASP  80  -0.754  -3.328 -12.974
  Start of MODEL    5
 3515    HB2  ASP  80           HB3      ASP  80   0.675  -2.806 -13.868
  Start of MODEL    5
 3516    H    LEU  81           H        LEU  81  -2.576  -1.251 -12.056
  Start of MODEL    5
 3517    HA   LEU  81           HA       LEU  81  -4.979  -2.147 -13.329
  Start of MODEL    5
 3518    HB2  LEU  81           HB2      LEU  81  -4.043  -2.239 -10.814
  Start of MODEL    5
 3519    HB3  LEU  81           HB3      LEU  81  -4.966  -0.763 -10.708
  Start of MODEL    5
 3520    HG   LEU  81           HG       LEU  81  -5.983  -3.479 -11.371
  Start of MODEL    5
 3521   HD11  LEU  81          HD11      LEU  81  -5.477  -2.927  -9.005
  Start of MODEL    5
 3522   HD13  LEU  81          HD12      LEU  81  -7.184  -3.272  -9.303
  Start of MODEL    5
 3523   HD12  LEU  81          HD13      LEU  81  -6.638  -1.604  -9.118
  Start of MODEL    5
 3524   HD21  LEU  81          HD21      LEU  81  -7.267  -0.785 -11.593
  Start of MODEL    5
 3525   HD23  LEU  81          HD22      LEU  81  -8.233  -2.232 -11.291
  Start of MODEL    5
 3526   HD22  LEU  81          HD23      LEU  81  -7.261  -2.107 -12.758
  Start of MODEL    5
 3527    H    ILE  82           H        ILE  82  -3.571   0.817 -12.112
  Start of MODEL    5
 3528    HA   ILE  82           HA       ILE  82  -5.785   2.534 -12.573
  Start of MODEL    5
 3529    HB   ILE  82           HB       ILE  82  -2.839   3.107 -12.231
  Start of MODEL    5
 3530   HD13  ILE  82          HD11      ILE  82  -2.711   2.603  -9.216
  Start of MODEL    5
 3531   HD12  ILE  82          HD12      ILE  82  -3.299   4.235  -8.907
  Start of MODEL    5
 3532   HD11  ILE  82          HD13      ILE  82  -2.194   3.936 -10.249
  Start of MODEL    5
 3533    H    ARG  83           H        ARG  83  -2.761   2.090 -14.418
  Start of MODEL    5
 3534    HA   ARG  83           HA       ARG  83  -3.367   3.719 -16.590
  Start of MODEL    5
 3535    HB3  ARG  83           HB2      ARG  83  -1.134   2.859 -16.155
  Start of MODEL    5
 3536    HB2  ARG  83           HB3      ARG  83  -1.633   2.475 -17.790
  Start of MODEL    5
 3537    HG3  ARG  83           HG2      ARG  83  -2.250   0.379 -15.853
  Start of MODEL    5
 3538    HG2  ARG  83           HG3      ARG  83  -0.532   0.743 -15.977
  Start of MODEL    5
 3539    HD2  ARG  83           HD2      ARG  83  -2.257  -0.652 -17.811
  Start of MODEL    5
 3540    HD3  ARG  83           HD3      ARG  83  -1.434   0.694 -18.594
  Start of MODEL    5
 3541    HE   ARG  83           HE       ARG  83   0.451  -0.740 -17.106
  Start of MODEL    5
 3542   HH12  ARG  83          HH11      ARG  83  -0.466  -2.296 -20.689
  Start of MODEL    5
 3543   HH11  ARG  83          HH12      ARG  83  -1.560  -1.184 -19.940
  Start of MODEL    5
 3544   HH22  ARG  83          HH21      ARG  83   1.486  -2.875 -19.647
  Start of MODEL    5
 3545   HH21  ARG  83          HH22      ARG  83   1.884  -2.204 -18.101
  Start of MODEL    5
 3546    H    SER  84           H        SER  84  -4.314   0.390 -15.945
  Start of MODEL    5
 3547    HA   SER  84           HA       SER  84  -5.445   0.059 -18.590
  Start of MODEL    5
 3548    HB2  SER  84           HB2      SER  84  -4.271  -1.811 -17.420
  Start of MODEL    5
 3549    HB3  SER  84           HB3      SER  84  -5.586  -1.840 -16.242
  Start of MODEL    5
 3550    HG   SER  84           HG       SER  84  -5.882  -3.364 -17.938
  Start of MODEL    5
 3551    H    GLY  85           H        GLY  85  -6.597   0.596 -15.289
  Start of MODEL    5
 3552    HA2  GLY  85           HA2      GLY  85  -9.168   1.414 -16.316
  Start of MODEL    5
 3553    HA3  GLY  85           HA3      GLY  85  -9.218  -0.050 -15.342
  Start of MODEL    5
 3554    H    GLN  86           H        GLN  86 -10.696   1.378 -14.054
  Start of MODEL    5
 3555    HA   GLN  86           HA       GLN  86  -9.267   3.259 -12.338
  Start of MODEL    5
 3556    HB3  GLN  86           HB2      GLN  86 -11.219   4.147 -13.479
  Start of MODEL    5
 3557    HB2  GLN  86           HB3      GLN  86 -11.463   4.137 -11.738
  Start of MODEL    5
 3558    HG2  GLN  86           HG2      GLN  86 -12.965   2.829 -13.846
  Start of MODEL    5
 3559    HG3  GLN  86           HG3      GLN  86 -12.496   1.703 -12.574
  Start of MODEL    5
 3560   HE21  GLN  86          HE21      GLN  86 -13.219   2.090 -10.435
  Start of MODEL    5
 3561   HE22  GLN  86          HE22      GLN  86 -14.602   3.080 -10.129
  Start of MODEL    5
 3562    H    SER  87           H        SER  87 -10.939   0.203 -12.262
  Start of MODEL    5
 3563    HA   SER  87           HA       SER  87 -11.751  -0.034  -9.649
  Start of MODEL    5
 3564    HB3  SER  87           HB2      SER  87 -10.390  -2.235 -11.218
  Start of MODEL    5
 3565    HB2  SER  87           HB3      SER  87 -12.069  -1.745 -11.446
  Start of MODEL    5
 3566    HG   SER  87           HG       SER  87 -11.821  -3.540 -10.011
  Start of MODEL    5
 3567    H    VAL  88           H        VAL  88 -10.818  -0.956  -7.744
  Start of MODEL    5
 3568    HA   VAL  88           HA       VAL  88  -7.960  -1.286  -7.573
  Start of MODEL    5
 3569    HB   VAL  88           HB       VAL  88  -7.916   0.358  -5.553
  Start of MODEL    5
 3570    HA   PRO  89           HA       PRO  89  -9.218  -4.328  -4.626
  Start of MODEL    5
 3571    HB3  PRO  89           HB2      PRO  89  -7.201  -5.355  -4.918
  Start of MODEL    5
 3572    HB2  PRO  89           HB3      PRO  89  -6.772  -4.585  -3.384
  Start of MODEL    5
 3573    HG2  PRO  89           HG2      PRO  89  -5.690  -2.819  -4.435
  Start of MODEL    5
 3574    HG3  PRO  89           HG3      PRO  89  -5.344  -4.120  -5.584
  Start of MODEL    5
 3575    HD2  PRO  89           HD2      PRO  89  -6.486  -1.827  -6.323
  Start of MODEL    5
 3576    HD3  PRO  89           HD3      PRO  89  -6.953  -3.373  -7.050
  Start of MODEL    5
 3577    H    GLU  90           H        GLU  90  -8.578  -4.748  -2.166
  Start of MODEL    5
 3578    HA   GLU  90           HA       GLU  90  -9.982  -3.280  -0.476
  Start of MODEL    5
 3579    HB3  GLU  90           HB2      GLU  90  -8.350  -3.859   1.347
  Start of MODEL    5
 3580    HB2  GLU  90           HB3      GLU  90  -7.298  -4.473   0.093
  Start of MODEL    5
 3581    HG3  GLU  90           HG2      GLU  90 -10.076  -5.495   0.225
  Start of MODEL    5
 3582    HG2  GLU  90           HG3      GLU  90  -8.896  -6.051   1.409
  Start of MODEL    5
 3583    H    HIS  91           H        HIS  91  -6.488  -2.566  -0.818
  Start of MODEL    5
 3584    HA   HIS  91           HA       HIS  91  -5.273  -0.669  -0.489
  Start of MODEL    5
 3585    HB2  HIS  91           HB2      HIS  91  -7.011  -0.054  -2.380
  Start of MODEL    5
 3586    HB3  HIS  91           HB3      HIS  91  -7.665   1.017  -1.148
  Start of MODEL    5
 3587    HD1  HIS  91           HD1      HIS  91  -5.525   1.181  -3.895
  Start of MODEL    5
 3588    HD2  HIS  91           HD2      HIS  91  -5.244   2.590   0.005
  Start of MODEL    5
 3589    HE1  HIS  91           HE1      HIS  91  -3.819   3.026  -3.967
  Start of MODEL    5
 3590    HE2  HIS  91           HE2      HIS  91  -3.746   3.933  -1.618
  Start of MODEL    5
 3591    H    ASP  92           H        ASP  92  -6.064  -1.634   1.869
  Start of MODEL    5
 3592    HA   ASP  92           HA       ASP  92  -7.318   0.510   3.409
  Start of MODEL    5
 3593    HB2  ASP  92           HB2      ASP  92  -7.824  -2.021   3.682
  Start of MODEL    5
 3594    HB3  ASP  92           HB3      ASP  92  -6.299  -2.082   4.562
  Start of MODEL    5
 3595    H    VAL  93           H        VAL  93  -4.376  -1.500   3.690
  Start of MODEL    5
 3596    HA   VAL  93           HA       VAL  93  -2.969   0.823   4.780
  Start of MODEL    5
 3597    HB   VAL  93           HB       VAL  93  -2.404  -2.001   5.652
  Start of MODEL    5
 3598    H    ALA  94           H        ALA  94  -3.121  -1.326   2.264
  Start of MODEL    5
 3599    HA   ALA  94           HA       ALA  94  -1.745  -1.858   0.544
  Start of MODEL    5
 3600    HB1  ALA  94           HB1      ALA  94   0.067   0.272   1.676
  Start of MODEL    5
 3601    HB3  ALA  94           HB2      ALA  94  -1.242   0.532   0.520
  Start of MODEL    5
 3602    HB2  ALA  94           HB3      ALA  94   0.162  -0.432   0.061
  Start of MODEL    5
 3603    H    ALA  95           H        ALA  95  -1.249  -2.733   3.558
  Start of MODEL    5
 3604    HA   ALA  95           HA       ALA  95   1.090  -4.374   2.916
  Start of MODEL    5
 3605    HB1  ALA  95           HB1      ALA  95   0.547  -3.075   5.584
  Start of MODEL    5
 3606    HB3  ALA  95           HB2      ALA  95   1.813  -2.611   4.447
  Start of MODEL    5
 3607    HB2  ALA  95           HB3      ALA  95   1.868  -4.189   5.230
  Start of MODEL    5
 3608    H    ALA  96           H        ALA  96  -1.671  -3.962   5.116
  Start of MODEL    5
 3609    HA   ALA  96           HA       ALA  96  -2.147  -6.868   4.989
  Start of MODEL    5
 3610    HB3  ALA  96           HB1      ALA  96  -1.211  -6.338   7.176
  Start of MODEL    5
 3611    HB2  ALA  96           HB2      ALA  96  -2.903  -6.807   7.327
  Start of MODEL    5
 3612    HB1  ALA  96           HB3      ALA  96  -2.447  -5.106   7.424
  Start of MODEL    5
 3613    HA   PRO  97           HA       PRO  97  -5.887  -4.481   3.608
  Start of MODEL    5
 3614    HB2  PRO  97           HB2      PRO  97  -6.400  -5.965   1.407
  Start of MODEL    5
 3615    HB3  PRO  97           HB3      PRO  97  -5.241  -4.633   1.409
  Start of MODEL    5
 3616    HG3  PRO  97           HG2      PRO  97  -3.874  -6.360   0.669
  Start of MODEL    5
 3617    HG2  PRO  97           HG3      PRO  97  -4.754  -7.578   1.609
  Start of MODEL    5
 3618    HD2  PRO  97           HD2      PRO  97  -2.996  -7.330   3.056
  Start of MODEL    5
 3619    HD3  PRO  97           HD3      PRO  97  -2.619  -5.697   2.473
  Start of MODEL    5
 3620    H    SER  98           H        SER  98  -7.872  -4.934   4.340
  Start of MODEL    5
 3621    HA   SER  98           HA       SER  98  -9.038  -7.548   4.201
  Start of MODEL    5
 3622    HB3  SER  98           HB2      SER  98  -9.409  -7.694   6.719
  Start of MODEL    5
 3623    HB2  SER  98           HB3      SER  98  -8.160  -6.459   6.882
  Start of MODEL    5
 3624    HG   SER  98           HG       SER  98  -7.328  -8.595   7.060
  Start of MODEL    5
 3625    H    SER  99           H        SER  99  -9.975  -5.315   3.037
  Start of MODEL    5
 3626    HA   SER  99           HA       SER  99 -11.976  -4.106   4.789
  Start of MODEL    5
 3627    HB2  SER  99           HB2      SER  99 -12.418  -2.580   2.924
  Start of MODEL    5
 3628    HB3  SER  99           HB3      SER  99 -10.689  -2.637   3.281
  Start of MODEL    5
 3629    HG   SER  99           HG       SER  99 -11.651  -2.920   0.967
  Start of MODEL    5
 3630    H    SER 100           H        SER 100 -11.845  -5.957   1.742
  Start of MODEL    5
 3631    HA   SER 100           HA       SER 100 -14.627  -6.800   2.238
  Start of MODEL    5
 3632    HB2  SER 100           HB2      SER 100 -14.458  -5.127   0.374
  Start of MODEL    5
 3633    HB3  SER 100           HB3      SER 100 -13.446  -6.277  -0.500
  Start of MODEL    5
 3634    HG   SER 100           HG       SER 100 -15.661  -6.414  -1.096
  Start of MODEL    5
 3635    H    ALA 101           H        ALA 101 -11.685  -7.596   0.365
  Start of MODEL    5
 3636    HA   ALA 101           HA       ALA 101 -12.232 -10.449   0.896
  Start of MODEL    5
 3637    HB3  ALA 101           HB1      ALA 101 -12.683  -9.975  -1.437
  Start of MODEL    5
 3638    HB2  ALA 101           HB2      ALA 101 -11.234 -10.970  -1.293
  Start of MODEL    5
 3639    HB1  ALA 101           HB3      ALA 101 -11.089  -9.243  -1.623
  Start of MODEL    5
 3640    HA   PRO 102           HA       PRO 102  -8.203  -9.305   2.965
  Start of MODEL    5
 3641    HB2  PRO 102           HB2      PRO 102  -9.011 -11.883   4.254
  Start of MODEL    5
 3642    HB3  PRO 102           HB3      PRO 102  -8.308 -10.431   4.980
  Start of MODEL    5
 3643    HG2  PRO 102           HG2      PRO 102 -10.891 -10.907   5.261
  Start of MODEL    5
 3644    HG3  PRO 102           HG3      PRO 102 -10.324  -9.264   4.899
  Start of MODEL    5
 3645    HD2  PRO 102           HD2      PRO 102 -11.588 -11.276   3.076
  Start of MODEL    5
 3646    HD3  PRO 102           HD3      PRO 102 -11.834  -9.518   3.162
  Start of MODEL    5
 3647    H    GLN 103           H        GLN 103  -9.238 -12.614   2.069
  Start of MODEL    5
 3648    HA   GLN 103           HA       GLN 103  -6.949 -12.937   0.343
  Start of MODEL    5
 3649    HB3  GLN 103           HB2      GLN 103  -7.168 -15.017   2.488
  Start of MODEL    5
 3650    HB2  GLN 103           HB3      GLN 103  -6.312 -13.528   2.828
  Start of MODEL    5
 3651    HG3  GLN 103           HG2      GLN 103  -4.582 -14.781   2.124
  Start of MODEL    5
 3652    HG2  GLN 103           HG3      GLN 103  -5.105 -14.112   0.588
  Start of MODEL    5
 3653   HE21  GLN 103          HE21      GLN 103  -5.677 -15.468  -1.014
  Start of MODEL    5
 3654   HE22  GLN 103          HE22      GLN 103  -5.832 -17.180  -0.842
  Start of MODEL    5
 3655    H    GLU 104           H        GLU 104  -9.396 -12.889  -0.578
  Start of MODEL    5
 3656    HA   GLU 104           HA       GLU 104 -10.665 -15.483  -0.575
  Start of MODEL    5
 3657    HB3  GLU 104           HB2      GLU 104 -11.303 -13.233  -2.476
  Start of MODEL    5
 3658    HB2  GLU 104           HB3      GLU 104 -11.815 -13.180  -0.796
  Start of MODEL    5
 3659    HG3  GLU 104           HG2      GLU 104 -12.486 -15.505  -2.570
  Start of MODEL    5
 3660    HG2  GLU 104           HG3      GLU 104 -13.473 -14.044  -2.536
  Start of MODEL    5
 3661    H    SER 105           H        SER 105  -9.825 -17.122  -1.694
  Start of MODEL    5
 3662    HA   SER 105           HA       SER 105  -8.090 -16.681  -3.960
  Start of MODEL    5
 3663    HB2  SER 105           HB2      SER 105  -9.120 -19.250  -2.727
  Start of MODEL    5
 3664    HB3  SER 105           HB3      SER 105  -7.887 -19.152  -3.984
  Start of MODEL    5
 3665    HG   SER 105           HG       SER 105  -7.732 -18.499  -1.276
  Start of MODEL    6
 3666    HA2  GLY  -2           HA2      GLY  -2 -18.565  13.960 -21.016
  Start of MODEL    6
 3667    HA3  GLY  -2           HA3      GLY  -2 -19.377  12.449 -20.638
  Start of MODEL    6
 3668    H    SER  -1           H        SER  -1 -16.560  13.449 -20.213
  Start of MODEL    6
 3669    HA   SER  -1           HA       SER  -1 -15.058  11.434 -21.733
  Start of MODEL    6
 3670    HB3  SER  -1           HB2      SER  -1 -13.965  13.650 -19.982
  Start of MODEL    6
 3671    HB2  SER  -1           HB3      SER  -1 -14.241  13.806 -21.716
  Start of MODEL    6
 3672    HG   SER  -1           HG       SER  -1 -12.077  13.225 -21.223
  Start of MODEL    6
 3673    H    HIS   0           H        HIS   0 -15.385  12.640 -18.384
  Start of MODEL    6
 3674    HA   HIS   0           HA       HIS   0 -14.722   9.926 -17.435
  Start of MODEL    6
 3675    HB2  HIS   0           HB2      HIS   0 -13.836  12.579 -16.283
  Start of MODEL    6
 3676    HB3  HIS   0           HB3      HIS   0 -13.693  11.050 -15.422
  Start of MODEL    6
 3677    HD1  HIS   0           HD1      HIS   0 -12.228  12.975 -18.275
  Start of MODEL    6
 3678    HD2  HIS   0           HD2      HIS   0 -11.643   9.363 -16.304
  Start of MODEL    6
 3679    HE1  HIS   0           HE1      HIS   0 -10.015  12.110 -19.098
  Start of MODEL    6
 3680    HE2  HIS   0           HE2      HIS   0  -9.642   9.966 -17.828
  Start of MODEL    6
 3681    H    MET   1           H        MET   1 -16.003   9.083 -15.856
  Start of MODEL    6
 3682    HA   MET   1           HA       MET   1 -18.214  10.778 -14.878
  Start of MODEL    6
 3683    HB2  MET   1           HB2      MET   1 -18.180   7.835 -15.562
  Start of MODEL    6
 3684    HB3  MET   1           HB3      MET   1 -19.495   8.607 -14.686
  Start of MODEL    6
 3685    HG3  MET   1           HG2      MET   1 -18.583   9.318 -17.467
  Start of MODEL    6
 3686    HG2  MET   1           HG3      MET   1 -19.909  10.077 -16.589
  Start of MODEL    6
 3687    HE3  MET   1           HE1      MET   1 -18.833   7.323 -18.961
  Start of MODEL    6
 3688    HE2  MET   1           HE2      MET   1 -19.905   5.966 -18.612
  Start of MODEL    6
 3689    HE1  MET   1           HE3      MET   1 -18.642   6.410 -17.463
  Start of MODEL    6
 3690    H    SER   2           H        SER   2 -16.337   7.852 -14.037
  Start of MODEL    6
 3691    HA   SER   2           HA       SER   2 -16.865   8.335 -11.202
  Start of MODEL    6
 3692    HB3  SER   2           HB2      SER   2 -17.183   6.052 -11.966
  Start of MODEL    6
 3693    HB2  SER   2           HB3      SER   2 -15.803   6.106 -10.870
  Start of MODEL    6
 3694    HG   SER   2           HG       SER   2 -15.380   4.880 -12.767
  Start of MODEL    6
 3695    H    ALA   3           H        ALA   3 -14.126   8.060 -13.447
  Start of MODEL    6
 3696    HA   ALA   3           HA       ALA   3 -12.256   8.827 -11.341
  Start of MODEL    6
 3697    HB2  ALA   3           HB1      ALA   3 -10.514   8.393 -12.995
  Start of MODEL    6
 3698    HB1  ALA   3           HB2      ALA   3 -11.744   8.128 -14.232
  Start of MODEL    6
 3699    HB3  ALA   3           HB3      ALA   3 -11.618   7.023 -12.862
  Start of MODEL    6
 3700    H    GLY   4           H        GLY   4 -13.783  10.912 -11.466
  Start of MODEL    6
 3701    HA2  GLY   4           HA2      GLY   4 -12.984  12.795 -13.524
  Start of MODEL    6
 3702    HA3  GLY   4           HA3      GLY   4 -14.095  13.100 -12.197
  Start of MODEL    6
 3703    H    GLU   5           H        GLU   5 -10.835  13.314 -13.305
  Start of MODEL    6
 3704    HA   GLU   5           HA       GLU   5  -9.626  13.897 -10.792
  Start of MODEL    6
 3705    HB3  GLU   5           HB2      GLU   5  -8.333  13.050 -12.706
  Start of MODEL    6
 3706    HB2  GLU   5           HB3      GLU   5  -7.670  14.556 -12.081
  Start of MODEL    6
 3707    HG3  GLU   5           HG2      GLU   5  -8.555  15.794 -13.916
  Start of MODEL    6
 3708    HG2  GLU   5           HG3      GLU   5  -9.487  14.408 -14.477
  Start of MODEL    6
 3709    HA   PRO   6           HA       PRO   6 -10.866  18.149 -10.415
  Start of MODEL    6
 3710    HB2  PRO   6           HB2      PRO   6  -9.144  18.989  -8.540
  Start of MODEL    6
 3711    HB3  PRO   6           HB3      PRO   6 -10.382  17.777  -8.177
  Start of MODEL    6
 3712    HG2  PRO   6           HG2      PRO   6  -7.487  17.354  -8.861
  Start of MODEL    6
 3713    HG3  PRO   6           HG3      PRO   6  -8.419  16.678  -7.509
  Start of MODEL    6
 3714    HD2  PRO   6           HD2      PRO   6  -7.975  15.288  -9.784
  Start of MODEL    6
 3715    HD3  PRO   6           HD3      PRO   6  -9.482  15.131  -8.851
  Start of MODEL    6
 3716    H    HIS   7           H        HIS   7  -9.776  18.127 -12.787
  Start of MODEL    6
 3717    HA   HIS   7           HA       HIS   7  -8.502  19.184 -14.350
  Start of MODEL    6
 3718    HB2  HIS   7           HB2      HIS   7  -8.668  21.354 -12.248
  Start of MODEL    6
 3719    HB3  HIS   7           HB3      HIS   7  -8.073  21.615 -13.884
  Start of MODEL    6
 3720    HD1  HIS   7           HD1      HIS   7 -11.217  20.971 -11.957
  Start of MODEL    6
 3721    HD2  HIS   7           HD2      HIS   7 -10.036  21.732 -15.868
  Start of MODEL    6
 3722    HE1  HIS   7           HE1      HIS   7 -13.337  21.464 -13.217
  Start of MODEL    6
 3723    HE2  HIS   7           HE2      HIS   7 -12.589  22.006 -15.560
  Start of MODEL    6
 3724    H    GLU   8           H        GLU   8  -6.660  17.878 -14.346
  Start of MODEL    6
 3725    HA   GLU   8           HA       GLU   8  -4.330  19.041 -12.972
  Start of MODEL    6
 3726    HB3  GLU   8           HB2      GLU   8  -3.629  16.428 -13.194
  Start of MODEL    6
 3727    HB2  GLU   8           HB3      GLU   8  -5.358  16.270 -12.949
  Start of MODEL    6
 3728    HG2  GLU   8           HG2      GLU   8  -5.101  17.714 -10.912
  Start of MODEL    6
 3729    HG3  GLU   8           HG3      GLU   8  -4.362  16.113 -10.816
  Start of MODEL    6
 3730    H    THR   9           H        THR   9  -2.247  17.805 -14.014
  Start of MODEL    6
 3731    HA   THR   9           HA       THR   9  -2.548  18.002 -16.921
  Start of MODEL    6
 3732    HB   THR   9           HB       THR   9  -0.319  19.041 -17.030
  Start of MODEL    6
 3733    HG1  THR   9           HG1      THR   9   0.883  19.291 -15.307
  Start of MODEL    6
 3734   HG21  THR   9          HG21      THR   9  -2.149  20.506 -15.142
  Start of MODEL    6
 3735   HG23  THR   9          HG22      THR   9  -2.233  20.541 -16.905
  Start of MODEL    6
 3736   HG22  THR   9          HG23      THR   9  -0.830  21.215 -16.074
  Start of MODEL    6
 3737    H    ASP  10           H        ASP  10   0.293  17.150 -14.935
  Start of MODEL    6
 3738    HA   ASP  10           HA       ASP  10   0.576  14.697 -16.510
  Start of MODEL    6
 3739    HB2  ASP  10           HB2      ASP  10   2.553  15.791 -14.502
  Start of MODEL    6
 3740    HB3  ASP  10           HB3      ASP  10   2.851  14.625 -15.790
  Start of MODEL    6
 3741    H    CYS  11           H        CYS  11  -0.599  13.065 -15.692
  Start of MODEL    6
 3742    HA   CYS  11           HA       CYS  11  -0.438  12.546 -12.783
  Start of MODEL    6
 3743    HB2  CYS  11           HB2      CYS  11  -2.644  11.735 -14.695
  Start of MODEL    6
 3744    HB3  CYS  11           HB3      CYS  11  -2.623  11.485 -12.952
  Start of MODEL    6
 3745    H    SER  12           H        SER  12  -0.853  10.856 -15.930
  Start of MODEL    6
 3746    HA   SER  12           HA       SER  12  -0.271   8.290 -14.963
  Start of MODEL    6
 3747    HB3  SER  12           HB2      SER  12   0.178   7.664 -17.288
  Start of MODEL    6
 3748    HB2  SER  12           HB3      SER  12   0.202   9.367 -17.736
  Start of MODEL    6
 3749    HG   SER  12           HG       SER  12  -1.837   8.379 -18.137
  Start of MODEL    6
 3750    H    GLU  13           H        GLU  13   1.802  10.930 -15.839
  Start of MODEL    6
 3751    HA   GLU  13           HA       GLU  13   4.200   9.507 -16.207
  Start of MODEL    6
 3752    HB3  GLU  13           HB2      GLU  13   5.330  11.660 -15.782
  Start of MODEL    6
 3753    HB2  GLU  13           HB3      GLU  13   3.798  12.327 -15.256
  Start of MODEL    6
 3754    HG3  GLU  13           HG2      GLU  13   2.919  12.380 -17.383
  Start of MODEL    6
 3755    HG2  GLU  13           HG3      GLU  13   4.024  11.142 -17.979
  Start of MODEL    6
 3756    H    ILE  14           H        ILE  14   2.661  10.897 -13.348
  Start of MODEL    6
 3757    HA   ILE  14           HA       ILE  14   4.726  10.430 -11.494
  Start of MODEL    6
 3758    HB   ILE  14           HB       ILE  14   1.720  10.497 -11.155
  Start of MODEL    6
 3759   HD12  ILE  14          HD11      ILE  14   2.393  13.848  -9.397
  Start of MODEL    6
 3760   HD11  ILE  14          HD12      ILE  14   2.007  12.285  -8.683
  Start of MODEL    6
 3761   HD13  ILE  14          HD13      ILE  14   1.026  12.918 -10.006
  Start of MODEL    6
 3762    H    LEU  15           H        LEU  15   2.100   8.308 -12.685
  Start of MODEL    6
 3763    HA   LEU  15           HA       LEU  15   2.852   6.115 -11.098
  Start of MODEL    6
 3764    HB2  LEU  15           HB2      LEU  15   1.852   5.514 -13.805
  Start of MODEL    6
 3765    HB3  LEU  15           HB3      LEU  15   1.244   4.988 -12.252
  Start of MODEL    6
 3766    HG   LEU  15           HG       LEU  15   0.686   7.674 -13.516
  Start of MODEL    6
 3767   HD12  LEU  15          HD11      LEU  15  -1.668   6.706 -13.633
  Start of MODEL    6
 3768   HD11  LEU  15          HD12      LEU  15  -0.891   5.135 -13.440
  Start of MODEL    6
 3769   HD13  LEU  15          HD13      LEU  15  -0.488   6.156 -14.823
  Start of MODEL    6
 3770   HD21  LEU  15          HD21      LEU  15   0.495   6.906 -10.825
  Start of MODEL    6
 3771   HD23  LEU  15          HD22      LEU  15  -1.153   6.929 -11.454
  Start of MODEL    6
 3772   HD22  LEU  15          HD23      LEU  15  -0.140   8.364 -11.584
  Start of MODEL    6
 3773    H    ASP  16           H        ASP  16   3.499   6.959 -14.525
  Start of MODEL    6
 3774    HA   ASP  16           HA       ASP  16   5.257   5.116 -15.300
  Start of MODEL    6
 3775    HB3  ASP  16           HB2      ASP  16   5.874   8.040 -15.725
  Start of MODEL    6
 3776    HB2  ASP  16           HB3      ASP  16   4.530   7.226 -16.520
  Start of MODEL    6
 3777    H    HIS  17           H        HIS  17   6.100   7.604 -12.811
  Start of MODEL    6
 3778    HA   HIS  17           HA       HIS  17   8.872   6.833 -12.907
  Start of MODEL    6
 3779    HB3  HIS  17           HB2      HIS  17   9.285   8.379 -11.245
  Start of MODEL    6
 3780    HB2  HIS  17           HB3      HIS  17   7.757   8.073 -10.427
  Start of MODEL    6
 3781    HD1  HIS  17           HD1      HIS  17   7.207  10.505 -10.146
  Start of MODEL    6
 3782    HD2  HIS  17           HD2      HIS  17   7.738   9.414 -14.111
  Start of MODEL    6
 3783    HE1  HIS  17           HE1      HIS  17   6.445  12.483 -11.484
  Start of MODEL    6
 3784    HE2  HIS  17           HE2      HIS  17   6.882  11.844 -13.887
  Start of MODEL    6
 3785    H    LEU  18           H        LEU  18   6.226   6.490 -10.531
  Start of MODEL    6
 3786    HA   LEU  18           HA       LEU  18   7.373   4.809  -8.728
  Start of MODEL    6
 3787    HB3  LEU  18           HB2      LEU  18   5.038   3.673  -8.596
  Start of MODEL    6
 3788    HB2  LEU  18           HB3      LEU  18   4.579   4.886  -9.776
  Start of MODEL    6
 3789    HG   LEU  18           HG       LEU  18   6.016   5.933  -7.441
  Start of MODEL    6
 3790   HD13  LEU  18          HD11      LEU  18   5.168   7.469  -8.984
  Start of MODEL    6
 3791   HD12  LEU  18          HD12      LEU  18   4.092   7.557  -7.584
  Start of MODEL    6
 3792   HD11  LEU  18          HD13      LEU  18   3.584   6.679  -9.030
  Start of MODEL    6
 3793   HD23  LEU  18          HD21      LEU  18   3.799   5.868  -6.128
  Start of MODEL    6
 3794   HD22  LEU  18          HD22      LEU  18   4.852   4.456  -6.099
  Start of MODEL    6
 3795   HD21  LEU  18          HD23      LEU  18   3.430   4.469  -7.139
  Start of MODEL    6
 3796    H    TYR  19           H        TYR  19   6.654   3.891 -12.010
  Start of MODEL    6
 3797    HA   TYR  19           HA       TYR  19   6.928   1.069 -11.394
  Start of MODEL    6
 3798    HB2  TYR  19           HB2      TYR  19   5.487   2.212 -13.303
  Start of MODEL    6
 3799    HB3  TYR  19           HB3      TYR  19   6.983   2.124 -14.197
  Start of MODEL    6
 3800    HD1  TYR  19           HD1      TYR  19   4.074   0.250 -13.154
  Start of MODEL    6
 3801    HD2  TYR  19           HD2      TYR  19   8.130  -0.102 -14.428
  Start of MODEL    6
 3802    HE1  TYR  19           HE1      TYR  19   3.689  -2.103 -13.754
  Start of MODEL    6
 3803    HE2  TYR  19           HE2      TYR  19   7.752  -2.445 -15.026
  Start of MODEL    6
 3804    HH   TYR  19           HH       TYR  19   5.186  -3.791 -15.674
  Start of MODEL    6
 3805    H    GLU  20           H        GLU  20   8.479   3.094 -13.824
  Start of MODEL    6
 3806    HA   GLU  20           HA       GLU  20  10.828   1.502 -13.960
  Start of MODEL    6
 3807    HB2  GLU  20           HB2      GLU  20  10.630   4.390 -14.815
  Start of MODEL    6
 3808    HB3  GLU  20           HB3      GLU  20  11.712   3.158 -15.452
  Start of MODEL    6
 3809    HG2  GLU  20           HG2      GLU  20   8.718   3.066 -15.723
  Start of MODEL    6
 3810    HG3  GLU  20           HG3      GLU  20   9.798   3.757 -16.932
  Start of MODEL    6
 3811    H    PHE  21           H        PHE  21   9.986   4.271 -12.038
  Start of MODEL    6
 3812    HA   PHE  21           HA       PHE  21  12.611   4.978 -11.185
  Start of MODEL    6
 3813    HB3  PHE  21           HB2      PHE  21  10.179   5.556  -9.526
  Start of MODEL    6
 3814    HB2  PHE  21           HB3      PHE  21  10.302   6.332 -11.092
  Start of MODEL    6
 3815    HD1  PHE  21           HD1      PHE  21  10.533   7.087  -7.902
  Start of MODEL    6
 3816    HD2  PHE  21           HD2      PHE  21  13.077   7.091 -11.314
  Start of MODEL    6
 3817    HE1  PHE  21           HE1      PHE  21  11.894   8.870  -6.882
  Start of MODEL    6
 3818    HE2  PHE  21           HE2      PHE  21  14.445   8.870 -10.299
  Start of MODEL    6
 3819    HZ   PHE  21           HZ       PHE  21  13.853   9.761  -8.080
  Start of MODEL    6
 3820    H    LEU  22           H        LEU  22   9.921   3.364  -9.687
  Start of MODEL    6
 3821    HA   LEU  22           HA       LEU  22  11.343   2.635  -7.317
  Start of MODEL    6
 3822    HB2  LEU  22           HB2      LEU  22   8.968   3.040  -7.299
  Start of MODEL    6
 3823    HB3  LEU  22           HB3      LEU  22   8.710   1.716  -8.415
  Start of MODEL    6
 3824    HG   LEU  22           HG       LEU  22   9.508   0.130  -6.681
  Start of MODEL    6
 3825   HD12  LEU  22          HD11      LEU  22   7.442   0.219  -5.367
  Start of MODEL    6
 3826   HD11  LEU  22          HD12      LEU  22   7.136   0.506  -7.082
  Start of MODEL    6
 3827   HD13  LEU  22          HD13      LEU  22   7.149   1.858  -5.950
  Start of MODEL    6
 3828   HD22  LEU  22          HD21      LEU  22   9.116   2.209  -4.597
  Start of MODEL    6
 3829   HD21  LEU  22          HD22      LEU  22  10.674   2.131  -5.418
  Start of MODEL    6
 3830   HD23  LEU  22          HD23      LEU  22  10.063   0.724  -4.552
  Start of MODEL    6
 3831    H    ASP  23           H        ASP  23  10.162   0.632 -10.083
  Start of MODEL    6
 3832    HA   ASP  23           HA       ASP  23  11.191  -1.763  -9.087
  Start of MODEL    6
 3833    HB2  ASP  23           HB2      ASP  23   9.554  -1.103 -11.132
  Start of MODEL    6
 3834    HB3  ASP  23           HB3      ASP  23  11.014  -1.521 -12.024
  Start of MODEL    6
 3835    H    LYS  24           H        LYS  24  12.718   0.381 -11.564
  Start of MODEL    6
 3836    HA   LYS  24           HA       LYS  24  15.094  -1.309 -11.276
  Start of MODEL    6
 3837    HB3  LYS  24           HB2      LYS  24  14.798  -1.536 -13.462
  Start of MODEL    6
 3838    HB2  LYS  24           HB3      LYS  24  15.634  -0.005 -13.562
  Start of MODEL    6
 3839    HG3  LYS  24           HG2      LYS  24  13.875   0.498 -14.881
  Start of MODEL    6
 3840    HG2  LYS  24           HG3      LYS  24  13.128   0.892 -13.338
  Start of MODEL    6
 3841    HD2  LYS  24           HD2      LYS  24  12.319  -1.531 -13.298
  Start of MODEL    6
 3842    HD3  LYS  24           HD3      LYS  24  11.534  -0.437 -14.436
  Start of MODEL    6
 3843    HE2  LYS  24           HE2      LYS  24  13.099  -1.276 -16.197
  Start of MODEL    6
 3844    HE3  LYS  24           HE3      LYS  24  13.674  -2.474 -15.036
  Start of MODEL    6
 3845    HZ3  LYS  24           HZ1      LYS  24  11.435  -3.370 -14.901
  Start of MODEL    6
 3846    HZ2  LYS  24           HZ2      LYS  24  11.988  -3.395 -16.498
  Start of MODEL    6
 3847    HZ1  LYS  24           HZ3      LYS  24  10.877  -2.217 -16.008
  Start of MODEL    6
 3848    H    GLU  25           H        GLU  25  14.141   2.086 -11.361
  Start of MODEL    6
 3849    HA   GLU  25           HA       GLU  25  16.700   3.190 -11.464
  Start of MODEL    6
 3850    HB2  GLU  25           HB2      GLU  25  14.252   4.270 -11.403
  Start of MODEL    6
 3851    HB3  GLU  25           HB3      GLU  25  14.735   4.598  -9.747
  Start of MODEL    6
 3852    HG3  GLU  25           HG2      GLU  25  16.894   5.538 -10.840
  Start of MODEL    6
 3853    HG2  GLU  25           HG3      GLU  25  15.420   6.503 -10.813
  Start of MODEL    6
 3854    H    MET  26           H        MET  26  14.780   2.678  -8.464
  Start of MODEL    6
 3855    HA   MET  26           HA       MET  26  16.879   1.586  -6.976
  Start of MODEL    6
 3856    HB3  MET  26           HB2      MET  26  16.822   3.971  -5.520
  Start of MODEL    6
 3857    HB2  MET  26           HB3      MET  26  16.965   4.490  -7.192
  Start of MODEL    6
 3858    HG2  MET  26           HG2      MET  26  18.877   3.011  -5.484
  Start of MODEL    6
 3859    HG3  MET  26           HG3      MET  26  18.840   2.593  -7.194
  Start of MODEL    6
 3860    HE2  MET  26           HE1      MET  26  22.018   4.853  -6.978
  Start of MODEL    6
 3861    HE1  MET  26           HE2      MET  26  21.366   3.302  -7.504
  Start of MODEL    6
 3862    HE3  MET  26           HE3      MET  26  21.452   3.684  -5.785
  Start of MODEL    6
 3863    HA   PRO  27           HA       PRO  27  12.666   0.874  -5.248
  Start of MODEL    6
 3864    HB3  PRO  27           HB2      PRO  27  12.764  -1.324  -4.558
  Start of MODEL    6
 3865    HB2  PRO  27           HB3      PRO  27  14.371  -1.135  -3.833
  Start of MODEL    6
 3866    HG2  PRO  27           HG2      PRO  27  14.926  -2.240  -5.807
  Start of MODEL    6
 3867    HG3  PRO  27           HG3      PRO  27  13.618  -1.462  -6.717
  Start of MODEL    6
 3868    HD3  PRO  27           HD2      PRO  27  15.338  -0.111  -7.435
  Start of MODEL    6
 3869    HD2  PRO  27           HD3      PRO  27  16.306  -0.405  -5.976
  Start of MODEL    6
 3870    H    ASP  28           H        ASP  28  15.611   0.664  -3.188
  Start of MODEL    6
 3871    HA   ASP  28           HA       ASP  28  14.116   1.763  -0.943
  Start of MODEL    6
 3872    HB2  ASP  28           HB2      ASP  28  16.162   1.330   0.368
  Start of MODEL    6
 3873    HB3  ASP  28           HB3      ASP  28  15.623  -0.103  -0.501
  Start of MODEL    6
 3874    H    SER  29           H        SER  29  16.638   2.815  -3.170
  Start of MODEL    6
 3875    HA   SER  29           HA       SER  29  17.050   5.280  -1.690
  Start of MODEL    6
 3876    HB3  SER  29           HB2      SER  29  18.231   5.355  -4.306
  Start of MODEL    6
 3877    HB2  SER  29           HB3      SER  29  18.572   3.797  -3.553
  Start of MODEL    6
 3878    HG   SER  29           HG       SER  29  20.131   5.394  -3.021
  Start of MODEL    6
 3879    H    ASP  30           H        ASP  30  14.413   5.026  -2.364
  Start of MODEL    6
 3880    HA   ASP  30           HA       ASP  30  14.075   7.204  -4.297
  Start of MODEL    6
 3881    HB2  ASP  30           HB2      ASP  30  12.874   4.497  -4.399
  Start of MODEL    6
 3882    HB3  ASP  30           HB3      ASP  30  11.791   5.840  -4.737
  Start of MODEL    6
 3883    H    ALA  31           H        ALA  31  13.229   5.783  -1.249
  Start of MODEL    6
 3884    HA   ALA  31           HA       ALA  31  10.726   6.868  -0.763
  Start of MODEL    6
 3885    HB3  ALA  31           HB1      ALA  31  11.128   5.746   1.101
  Start of MODEL    6
 3886    HB2  ALA  31           HB2      ALA  31  12.092   7.113   1.655
  Start of MODEL    6
 3887    HB1  ALA  31           HB3      ALA  31  12.867   5.771   0.814
  Start of MODEL    6
 3888    H    VAL  32           H        VAL  32  13.897   8.429  -0.442
  Start of MODEL    6
 3889    HA   VAL  32           HA       VAL  32  12.832  10.872   0.591
  Start of MODEL    6
 3890    HB   VAL  32           HB       VAL  32  15.177  10.125   0.994
  Start of MODEL    6
 3891    H    LYS  33           H        LYS  33  13.354   9.568  -2.583
  Start of MODEL    6
 3892    HA   LYS  33           HA       LYS  33  12.988  12.142  -3.880
  Start of MODEL    6
 3893    HB3  LYS  33           HB2      LYS  33  13.280  10.923  -5.965
  Start of MODEL    6
 3894    HB2  LYS  33           HB3      LYS  33  13.175   9.387  -5.116
  Start of MODEL    6
 3895    HG3  LYS  33           HG2      LYS  33  15.454   9.711  -5.554
  Start of MODEL    6
 3896    HG2  LYS  33           HG3      LYS  33  15.248  10.096  -3.844
  Start of MODEL    6
 3897    HD3  LYS  33           HD2      LYS  33  15.214  12.478  -4.369
  Start of MODEL    6
 3898    HD2  LYS  33           HD3      LYS  33  15.365  12.114  -6.089
  Start of MODEL    6
 3899    HE2  LYS  33           HE2      LYS  33  17.393  11.440  -3.959
  Start of MODEL    6
 3900    HE3  LYS  33           HE3      LYS  33  17.543  11.078  -5.678
  Start of MODEL    6
 3901    HZ3  LYS  33           HZ1      LYS  33  17.505  13.450  -6.143
  Start of MODEL    6
 3902    HZ2  LYS  33           HZ2      LYS  33  18.769  13.068  -5.087
  Start of MODEL    6
 3903    HZ1  LYS  33           HZ3      LYS  33  17.363  13.796  -4.492
  Start of MODEL    6
 3904    H    PHE  34           H        PHE  34  11.166   9.490  -2.740
  Start of MODEL    6
 3905    HA   PHE  34           HA       PHE  34   8.936   9.668  -4.491
  Start of MODEL    6
 3906    HB3  PHE  34           HB2      PHE  34   7.816   8.394  -2.487
  Start of MODEL    6
 3907    HB2  PHE  34           HB3      PHE  34   9.458   8.325  -1.854
  Start of MODEL    6
 3908    HD1  PHE  34           HD1      PHE  34   9.232   5.888  -1.890
  Start of MODEL    6
 3909    HD2  PHE  34           HD2      PHE  34   9.062   8.184  -5.469
  Start of MODEL    6
 3910    HE1  PHE  34           HE1      PHE  34   9.549   3.857  -3.210
  Start of MODEL    6
 3911    HE2  PHE  34           HE2      PHE  34   9.394   6.155  -6.790
  Start of MODEL    6
 3912    HZ   PHE  34           HZ       PHE  34   9.646   3.986  -5.668
  Start of MODEL    6
 3913    H    GLU  35           H        GLU  35   9.989  11.932  -2.293
  Start of MODEL    6
 3914    HA   GLU  35           HA       GLU  35   7.235  12.666  -1.536
  Start of MODEL    6
 3915    HB2  GLU  35           HB2      GLU  35   9.713  12.723  -0.125
  Start of MODEL    6
 3916    HB3  GLU  35           HB3      GLU  35   9.183  14.388  -0.319
  Start of MODEL    6
 3917    HG2  GLU  35           HG2      GLU  35   7.024  13.813   0.682
  Start of MODEL    6
 3918    HG3  GLU  35           HG3      GLU  35   7.571  12.150   0.889
  Start of MODEL    6
 3919    H    HIS  36           H        HIS  36   9.458  13.396  -3.925
  Start of MODEL    6
 3920    HA   HIS  36           HA       HIS  36   8.643  16.216  -4.118
  Start of MODEL    6
 3921    HB3  HIS  36           HB2      HIS  36  10.480  16.607  -5.518
  Start of MODEL    6
 3922    HB2  HIS  36           HB3      HIS  36  10.621  14.912  -5.969
  Start of MODEL    6
 3923    HD1  HIS  36           HD1      HIS  36  11.045  16.968  -2.784
  Start of MODEL    6
 3924    HD2  HIS  36           HD2      HIS  36  12.655  13.696  -4.770
  Start of MODEL    6
 3925    HE1  HIS  36           HE1      HIS  36  13.006  16.239  -1.388
  Start of MODEL    6
 3926    HE2  HIS  36           HE2      HIS  36  13.913  14.200  -2.560
  Start of MODEL    6
 3927    H    HIS  37           H        HIS  37   9.038  13.398  -6.275
  Start of MODEL    6
 3928    HA   HIS  37           HA       HIS  37   7.466  14.463  -8.382
  Start of MODEL    6
 3929    HB2  HIS  37           HB2      HIS  37   7.864  11.509  -7.944
  Start of MODEL    6
 3930    HB3  HIS  37           HB3      HIS  37   7.736  12.394  -9.463
  Start of MODEL    6
 3931    HD1  HIS  37           HD1      HIS  37   9.867  13.854 -10.082
  Start of MODEL    6
 3932    HD2  HIS  37           HD2      HIS  37  10.321  11.146  -6.975
  Start of MODEL    6
 3933    HE1  HIS  37           HE1      HIS  37  12.322  13.615  -9.762
  Start of MODEL    6
 3934    HE2  HIS  37           HE2      HIS  37  12.604  11.856  -7.984
  Start of MODEL    6
 3935    H    PHE  38           H        PHE  38   6.757  12.674  -5.514
  Start of MODEL    6
 3936    HA   PHE  38           HA       PHE  38   4.123  11.827  -6.274
  Start of MODEL    6
 3937    HB2  PHE  38           HB2      PHE  38   5.697  11.800  -3.705
  Start of MODEL    6
 3938    HB3  PHE  38           HB3      PHE  38   4.041  11.221  -3.781
  Start of MODEL    6
 3939    HD1  PHE  38           HD1      PHE  38   4.944   9.023  -2.934
  Start of MODEL    6
 3940    HD2  PHE  38           HD2      PHE  38   6.109  10.631  -6.742
  Start of MODEL    6
 3941    HE1  PHE  38           HE1      PHE  38   5.762   6.827  -3.626
  Start of MODEL    6
 3942    HE2  PHE  38           HE2      PHE  38   6.888   8.410  -7.428
  Start of MODEL    6
 3943    HZ   PHE  38           HZ       PHE  38   6.723   6.512  -5.866
  Start of MODEL    6
 3944    H    GLU  39           H        GLU  39   5.504  14.525  -4.469
  Start of MODEL    6
 3945    HA   GLU  39           HA       GLU  39   2.886  15.464  -3.612
  Start of MODEL    6
 3946    HB2  GLU  39           HB2      GLU  39   5.049  15.570  -2.229
  Start of MODEL    6
 3947    HB3  GLU  39           HB3      GLU  39   5.492  16.928  -3.255
  Start of MODEL    6
 3948    HG3  GLU  39           HG2      GLU  39   3.015  16.765  -1.546
  Start of MODEL    6
 3949    HG2  GLU  39           HG3      GLU  39   3.504  18.136  -2.541
  Start of MODEL    6
 3950    H    GLU  40           H        GLU  40   5.240  16.198  -6.109
  Start of MODEL    6
 3951    HA   GLU  40           HA       GLU  40   4.586  18.798  -6.760
  Start of MODEL    6
 3952    HB2  GLU  40           HB2      GLU  40   5.464  18.388  -8.957
  Start of MODEL    6
 3953    HB3  GLU  40           HB3      GLU  40   6.428  17.499  -7.794
  Start of MODEL    6
 3954    HG2  GLU  40           HG2      GLU  40   6.155  15.700  -9.043
  Start of MODEL    6
 3955    HG3  GLU  40           HG3      GLU  40   4.447  15.720  -8.628
  Start of MODEL    6
 3956    H    SER  41           H        SER  41   2.781  15.870  -7.525
  Start of MODEL    6
 3957    HA   SER  41           HA       SER  41   0.568  17.556  -8.437
  Start of MODEL    6
 3958    HB3  SER  41           HB2      SER  41   0.440  15.201  -9.999
  Start of MODEL    6
 3959    HB2  SER  41           HB3      SER  41   2.086  15.816 -10.131
  Start of MODEL    6
 3960    HG   SER  41           HG       SER  41   0.673  16.733 -11.692
  Start of MODEL    6
 3961    H    SER  42           H        SER  42   0.107  16.992  -6.106
  Start of MODEL    6
 3962    HA   SER  42           HA       SER  42  -0.557  14.385  -5.307
  Start of MODEL    6
 3963    HB3  SER  42           HB2      SER  42  -2.007  16.765  -4.189
  Start of MODEL    6
 3964    HB2  SER  42           HB3      SER  42  -0.279  16.575  -3.901
  Start of MODEL    6
 3965    HG   SER  42           HG       SER  42  -1.571  15.614  -2.257
  Start of MODEL    6
 3966    HA   PRO  43           HA       PRO  43  -5.161  15.687  -6.546
  Start of MODEL    6
 3967    HB3  PRO  43           HB2      PRO  43  -5.770  17.544  -7.736
  Start of MODEL    6
 3968    HB2  PRO  43           HB3      PRO  43  -4.479  17.332  -8.923
  Start of MODEL    6
 3969    HG2  PRO  43           HG2      PRO  43  -3.642  19.120  -7.675
  Start of MODEL    6
 3970    HG3  PRO  43           HG3      PRO  43  -4.340  18.494  -6.167
  Start of MODEL    6
 3971    HD2  PRO  43           HD2      PRO  43  -1.913  17.554  -7.661
  Start of MODEL    6
 3972    HD3  PRO  43           HD3      PRO  43  -2.130  17.809  -5.917
  Start of MODEL    6
 3973    H    CYS  44           H        CYS  44  -2.479  14.796  -8.605
  Start of MODEL    6
 3974    HA   CYS  44           HA       CYS  44  -4.150  13.457 -10.563
  Start of MODEL    6
 3975    HB2  CYS  44           HB2      CYS  44  -1.181  13.655 -10.059
  Start of MODEL    6
 3976    HB3  CYS  44           HB3      CYS  44  -1.824  12.439 -11.162
  Start of MODEL    6
 3977    H    LEU  45           H        LEU  45  -2.127  12.742  -7.783
  Start of MODEL    6
 3978    HA   LEU  45           HA       LEU  45  -2.571   9.956  -7.792
  Start of MODEL    6
 3979    HB3  LEU  45           HB2      LEU  45  -1.746  11.483  -5.366
  Start of MODEL    6
 3980    HB2  LEU  45           HB3      LEU  45  -0.694  11.505  -6.762
  Start of MODEL    6
 3981    HG   LEU  45           HG       LEU  45  -1.653   8.977  -5.567
  Start of MODEL    6
 3982   HD13  LEU  45          HD11      LEU  45   1.043  10.103  -4.977
  Start of MODEL    6
 3983   HD12  LEU  45          HD12      LEU  45   0.146   8.850  -4.119
  Start of MODEL    6
 3984   HD11  LEU  45          HD13      LEU  45  -0.343  10.536  -3.977
  Start of MODEL    6
 3985   HD23  LEU  45          HD21      LEU  45  -0.806   8.732  -7.790
  Start of MODEL    6
 3986   HD22  LEU  45          HD22      LEU  45   0.372   8.071  -6.659
  Start of MODEL    6
 3987   HD21  LEU  45          HD23      LEU  45   0.638   9.658  -7.378
  Start of MODEL    6
 3988    H    GLU  46           H        GLU  46  -4.694  12.476  -7.172
  Start of MODEL    6
 3989    HA   GLU  46           HA       GLU  46  -6.137  10.940  -5.102
  Start of MODEL    6
 3990    HB2  GLU  46           HB2      GLU  46  -6.405  13.860  -5.833
  Start of MODEL    6
 3991    HB3  GLU  46           HB3      GLU  46  -7.288  13.032  -4.555
  Start of MODEL    6
 3992    HG3  GLU  46           HG2      GLU  46  -4.650  14.182  -4.528
  Start of MODEL    6
 3993    HG2  GLU  46           HG3      GLU  46  -4.604  12.480  -4.065
  Start of MODEL    6
 3994    H    LYS  47           H        LYS  47  -6.012  10.868  -8.102
  Start of MODEL    6
 3995    HA   LYS  47           HA       LYS  47  -8.879  11.082  -8.702
  Start of MODEL    6
 3996    HB2  LYS  47           HB2      LYS  47  -8.492  11.029 -11.012
  Start of MODEL    6
 3997    HB3  LYS  47           HB3      LYS  47  -7.307  12.137 -10.337
  Start of MODEL    6
 3998    HG2  LYS  47           HG2      LYS  47  -6.012   9.712 -10.312
  Start of MODEL    6
 3999    HG3  LYS  47           HG3      LYS  47  -6.933   9.680 -11.819
  Start of MODEL    6
 4000    HD3  LYS  47           HD2      LYS  47  -4.543  10.737 -11.723
  Start of MODEL    6
 4001    HD2  LYS  47           HD3      LYS  47  -5.417  12.113 -11.052
  Start of MODEL    6
 4002    HE2  LYS  47           HE2      LYS  47  -6.985  11.628 -13.158
  Start of MODEL    6
 4003    HE3  LYS  47           HE3      LYS  47  -5.571  12.671 -13.261
  Start of MODEL    6
 4004    HZ3  LYS  47           HZ1      LYS  47  -5.270  11.278 -15.041
  Start of MODEL    6
 4005    HZ2  LYS  47           HZ2      LYS  47  -5.932   9.932 -14.261
  Start of MODEL    6
 4006    HZ1  LYS  47           HZ3      LYS  47  -4.378  10.460 -13.860
  Start of MODEL    6
 4007    H    TYR  48           H        TYR  48  -6.416   8.886  -8.019
  Start of MODEL    6
 4008    HA   TYR  48           HA       TYR  48  -8.140   6.591  -8.714
  Start of MODEL    6
 4009    HB3  TYR  48           HB2      TYR  48  -6.091   5.224  -8.803
  Start of MODEL    6
 4010    HB2  TYR  48           HB3      TYR  48  -5.125   6.650  -8.422
  Start of MODEL    6
 4011    HD1  TYR  48           HD1      TYR  48  -4.519   8.208 -10.099
  Start of MODEL    6
 4012    HD2  TYR  48           HD2      TYR  48  -7.278   5.104 -11.005
  Start of MODEL    6
 4013    HE1  TYR  48           HE1      TYR  48  -4.305   8.731 -12.491
  Start of MODEL    6
 4014    HE2  TYR  48           HE2      TYR  48  -7.084   5.618 -13.400
  Start of MODEL    6
 4015    HH   TYR  48           HH       TYR  48  -4.861   6.974 -14.818
  Start of MODEL    6
 4016    H    GLY  49           H        GLY  49  -6.029   8.038  -6.271
  Start of MODEL    6
 4017    HA3  GLY  49           HA2      GLY  49  -7.340   6.387  -4.242
  Start of MODEL    6
 4018    HA2  GLY  49           HA3      GLY  49  -6.563   7.936  -3.954
  Start of MODEL    6
 4019    H    LEU  50           H        LEU  50  -4.121   7.598  -5.159
  Start of MODEL    6
 4020    HA   LEU  50           HA       LEU  50  -2.956   5.205  -3.924
  Start of MODEL    6
 4021    HB2  LEU  50           HB2      LEU  50  -1.847   7.115  -5.970
  Start of MODEL    6
 4022    HB3  LEU  50           HB3      LEU  50  -0.933   5.798  -5.268
  Start of MODEL    6
 4023    HG   LEU  50           HG       LEU  50  -3.472   5.429  -6.862
  Start of MODEL    6
 4024   HD12  LEU  50          HD11      LEU  50  -1.190   4.445  -8.226
  Start of MODEL    6
 4025   HD11  LEU  50          HD12      LEU  50  -0.865   6.115  -7.762
  Start of MODEL    6
 4026   HD13  LEU  50          HD13      LEU  50  -2.296   5.731  -8.712
  Start of MODEL    6
 4027   HD22  LEU  50          HD21      LEU  50  -3.212   3.531  -5.519
  Start of MODEL    6
 4028   HD21  LEU  50          HD22      LEU  50  -1.457   3.538  -5.684
  Start of MODEL    6
 4029   HD23  LEU  50          HD23      LEU  50  -2.467   3.074  -7.052
  Start of MODEL    6
 4030    H    GLU  51           H        GLU  51  -3.230   8.598  -3.393
  Start of MODEL    6
 4031    HA   GLU  51           HA       GLU  51  -0.840   9.368  -2.270
  Start of MODEL    6
 4032    HB3  GLU  51           HB2      GLU  51  -2.448  10.514  -0.473
  Start of MODEL    6
 4033    HB2  GLU  51           HB3      GLU  51  -3.689   9.979  -1.598
  Start of MODEL    6
 4034    HG3  GLU  51           HG2      GLU  51  -3.295  12.071  -2.393
  Start of MODEL    6
 4035    HG2  GLU  51           HG3      GLU  51  -2.148  11.155  -3.366
  Start of MODEL    6
 4036    H    GLN  52           H        GLN  52  -3.466   7.883  -0.490
  Start of MODEL    6
 4037    HA   GLN  52           HA       GLN  52  -2.291   7.425   1.962
  Start of MODEL    6
 4038    HB3  GLN  52           HB2      GLN  52  -4.008   5.938   2.454
  Start of MODEL    6
 4039    HB2  GLN  52           HB3      GLN  52  -4.031   5.265   0.832
  Start of MODEL    6
 4040    HG2  GLN  52           HG2      GLN  52  -4.760   8.039   0.769
  Start of MODEL    6
 4041    HG3  GLN  52           HG3      GLN  52  -5.644   6.627   0.201
  Start of MODEL    6
 4042   HE21  GLN  52          HE21      GLN  52  -5.067   8.743   2.931
  Start of MODEL    6
 4043   HE22  GLN  52          HE22      GLN  52  -6.491   8.313   3.809
  Start of MODEL    6
 4044    H    ALA  53           H        ALA  53  -1.940   5.561  -0.992
  Start of MODEL    6
 4045    HA   ALA  53           HA       ALA  53  -0.507   3.409   0.257
  Start of MODEL    6
 4046    HB3  ALA  53           HB1      ALA  53  -0.215   2.506  -1.935
  Start of MODEL    6
 4047    HB2  ALA  53           HB2      ALA  53  -0.635   4.048  -2.681
  Start of MODEL    6
 4048    HB1  ALA  53           HB3      ALA  53  -1.859   3.130  -1.804
  Start of MODEL    6
 4049    H    VAL  54           H        VAL  54   0.521   5.988  -2.003
  Start of MODEL    6
 4050    HA   VAL  54           HA       VAL  54   3.250   5.350  -1.979
  Start of MODEL    6
 4051    HB   VAL  54           HB       VAL  54   3.712   7.443  -2.973
  Start of MODEL    6
 4052    H    LYS  55           H        LYS  55   1.403   7.296   0.337
  Start of MODEL    6
 4053    HA   LYS  55           HA       LYS  55   3.503   8.597   1.659
  Start of MODEL    6
 4054    HB3  LYS  55           HB2      LYS  55   2.067   8.589   3.656
  Start of MODEL    6
 4055    HB2  LYS  55           HB3      LYS  55   1.064   7.336   2.945
  Start of MODEL    6
 4056    HG3  LYS  55           HG2      LYS  55   0.358   9.873   2.942
  Start of MODEL    6
 4057    HG2  LYS  55           HG3      LYS  55  -0.070   8.778   1.628
  Start of MODEL    6
 4058    HD3  LYS  55           HD2      LYS  55   1.627   9.652   0.224
  Start of MODEL    6
 4059    HD2  LYS  55           HD3      LYS  55   2.423  10.475   1.567
  Start of MODEL    6
 4060    HE2  LYS  55           HE2      LYS  55   1.028  11.885  -0.060
  Start of MODEL    6
 4061    HE3  LYS  55           HE3      LYS  55  -0.377  11.172   0.732
  Start of MODEL    6
 4062    HZ3  LYS  55           HZ1      LYS  55   0.349  12.074   2.825
  Start of MODEL    6
 4063    HZ2  LYS  55           HZ2      LYS  55   0.272  13.322   1.687
  Start of MODEL    6
 4064    HZ1  LYS  55           HZ3      LYS  55   1.771  12.677   2.130
  Start of MODEL    6
 4065    H    LYS  56           H        LYS  56   2.217   5.398   1.927
  Start of MODEL    6
 4066    HA   LYS  56           HA       LYS  56   3.850   4.454   4.049
  Start of MODEL    6
 4067    HB3  LYS  56           HB2      LYS  56   3.166   2.154   2.896
  Start of MODEL    6
 4068    HB2  LYS  56           HB3      LYS  56   2.015   3.206   2.095
  Start of MODEL    6
 4069    HG2  LYS  56           HG2      LYS  56   0.742   2.632   3.869
  Start of MODEL    6
 4070    HG3  LYS  56           HG3      LYS  56   2.137   2.330   4.901
  Start of MODEL    6
 4071    HD2  LYS  56           HD2      LYS  56   1.792   4.283   5.905
  Start of MODEL    6
 4072    HD3  LYS  56           HD3      LYS  56   2.144   5.097   4.385
  Start of MODEL    6
 4073    HE2  LYS  56           HE2      LYS  56  -0.074   5.607   5.582
  Start of MODEL    6
 4074    HE3  LYS  56           HE3      LYS  56  -0.077   5.357   3.839
  Start of MODEL    6
 4075    HZ3  LYS  56           HZ1      LYS  56  -1.130   3.339   4.046
  Start of MODEL    6
 4076    HZ2  LYS  56           HZ2      LYS  56  -1.827   4.183   5.333
  Start of MODEL    6
 4077    HZ1  LYS  56           HZ3      LYS  56  -0.587   3.072   5.627
  Start of MODEL    6
 4078    H    LEU  57           H        LEU  57   4.127   4.438   0.542
  Start of MODEL    6
 4079    HA   LEU  57           HA       LEU  57   6.370   2.811   0.264
  Start of MODEL    6
 4080    HB3  LEU  57           HB2      LEU  57   5.752   5.206  -1.422
  Start of MODEL    6
 4081    HB2  LEU  57           HB3      LEU  57   4.766   3.762  -1.494
  Start of MODEL    6
 4082    HG   LEU  57           HG       LEU  57   7.202   4.413  -2.822
  Start of MODEL    6
 4083   HD11  LEU  57          HD11      LEU  57   5.100   3.498  -3.767
  Start of MODEL    6
 4084   HD13  LEU  57          HD12      LEU  57   5.532   1.927  -3.060
  Start of MODEL    6
 4085   HD12  LEU  57          HD13      LEU  57   6.567   2.664  -4.288
  Start of MODEL    6
 4086   HD21  LEU  57          HD21      LEU  57   7.306   1.918  -1.151
  Start of MODEL    6
 4087   HD23  LEU  57          HD22      LEU  57   8.478   3.233  -1.216
  Start of MODEL    6
 4088   HD22  LEU  57          HD23      LEU  57   8.288   2.155  -2.594
  Start of MODEL    6
 4089    H    VAL  58           H        VAL  58   6.065   6.297   0.729
  Start of MODEL    6
 4090    HA   VAL  58           HA       VAL  58   8.790   6.974   0.528
  Start of MODEL    6
 4091    HB   VAL  58           HB       VAL  58   6.922   8.419   2.397
  Start of MODEL    6
 4092    H    LYS  59           H        LYS  59   6.887   5.731   3.178
  Start of MODEL    6
 4093    HA   LYS  59           HA       LYS  59   8.527   6.297   5.324
  Start of MODEL    6
 4094    HB3  LYS  59           HB2      LYS  59   6.464   4.211   4.743
  Start of MODEL    6
 4095    HB2  LYS  59           HB3      LYS  59   6.364   5.593   5.807
  Start of MODEL    6
 4096    HG3  LYS  59           HG2      LYS  59   6.622   4.053   7.426
  Start of MODEL    6
 4097    HG2  LYS  59           HG3      LYS  59   8.332   4.161   7.003
  Start of MODEL    6
 4098    HD2  LYS  59           HD2      LYS  59   7.784   2.345   5.251
  Start of MODEL    6
 4099    HD3  LYS  59           HD3      LYS  59   7.949   1.874   6.945
  Start of MODEL    6
 4100    HE3  LYS  59           HE2      LYS  59   6.017   0.795   5.930
  Start of MODEL    6
 4101    HE2  LYS  59           HE3      LYS  59   5.361   2.368   5.466
  Start of MODEL    6
 4102    HZ1  LYS  59           HZ1      LYS  59   5.936   1.760   8.298
  Start of MODEL    6
 4103    HZ3  LYS  59           HZ2      LYS  59   4.495   1.236   7.587
  Start of MODEL    6
 4104    HZ2  LYS  59           HZ3      LYS  59   4.852   2.887   7.650
  Start of MODEL    6
 4105    H    ARG  60           H        ARG  60   8.685   3.707   2.959
  Start of MODEL    6
 4106    HA   ARG  60           HA       ARG  60  10.201   1.760   4.003
  Start of MODEL    6
 4107    HB2  ARG  60           HB2      ARG  60  10.284   3.095   1.356
  Start of MODEL    6
 4108    HB3  ARG  60           HB3      ARG  60  11.573   1.969   1.722
  Start of MODEL    6
 4109    HG2  ARG  60           HG2      ARG  60   9.880   0.212   2.120
  Start of MODEL    6
 4110    HG3  ARG  60           HG3      ARG  60   8.624   1.364   1.646
  Start of MODEL    6
 4111    HD3  ARG  60           HD2      ARG  60  10.957   0.614  -0.102
  Start of MODEL    6
 4112    HD2  ARG  60           HD3      ARG  60   9.529   1.535  -0.560
  Start of MODEL    6
 4113    HE   ARG  60           HE       ARG  60   8.625  -0.928   0.315
  Start of MODEL    6
 4114   HH12  ARG  60          HH11      ARG  60  10.295  -1.022  -3.334
  Start of MODEL    6
 4115   HH11  ARG  60          HH12      ARG  60  10.639   0.302  -2.272
  Start of MODEL    6
 4116   HH22  ARG  60          HH21      ARG  60   8.902  -2.704  -2.668
  Start of MODEL    6
 4117   HH21  ARG  60          HH22      ARG  60   8.183  -2.672  -1.095
  Start of MODEL    6
 4118    H    ALA  61           H        ALA  61  11.824   4.446   2.358
  Start of MODEL    6
 4119    HA   ALA  61           HA       ALA  61  13.911   5.341   2.591
  Start of MODEL    6
 4120    HB1  ALA  61           HB1      ALA  61  12.582   6.232   4.573
  Start of MODEL    6
 4121    HB3  ALA  61           HB2      ALA  61  14.338   6.346   4.675
  Start of MODEL    6
 4122    HB2  ALA  61           HB3      ALA  61  13.484   5.079   5.556
  Start of MODEL    6
 4123    H    ALA  62           H        ALA  62  15.971   5.061   4.413
  Start of MODEL    6
 4124    HA   ALA  62           HA       ALA  62  16.803   2.303   3.921
  Start of MODEL    6
 4125    HB3  ALA  62           HB1      ALA  62  18.214   4.013   2.917
  Start of MODEL    6
 4126    HB2  ALA  62           HB2      ALA  62  19.097   3.130   4.164
  Start of MODEL    6
 4127    HB1  ALA  62           HB3      ALA  62  18.473   4.745   4.501
  Start of MODEL    6
 4128    H    GLY  63           H        GLY  63  15.374   1.799   5.859
  Start of MODEL    6
 4129    HA2  GLY  63           HA2      GLY  63  16.867   1.017   8.037
  Start of MODEL    6
 4130    HA3  GLY  63           HA3      GLY  63  16.262   2.615   8.460
  Start of MODEL    6
 4131    H    GLN  64           H        GLN  64  13.713   2.464   7.238
  Start of MODEL    6
 4132    HA   GLN  64           HA       GLN  64  12.340   0.909   9.226
  Start of MODEL    6
 4133    HB2  GLN  64           HB2      GLN  64  11.178   2.538   6.965
  Start of MODEL    6
 4134    HB3  GLN  64           HB3      GLN  64  10.306   1.936   8.368
  Start of MODEL    6
 4135    HG3  GLN  64           HG2      GLN  64  12.416   4.072   8.278
  Start of MODEL    6
 4136    HG2  GLN  64           HG3      GLN  64  11.877   3.324   9.780
  Start of MODEL    6
 4137   HE21  GLN  64          HE21      GLN  64  11.399   5.870   7.716
  Start of MODEL    6
 4138   HE22  GLN  64          HE22      GLN  64   9.814   6.338   8.218
  Start of MODEL    6
 4139    H    ASP  65           H        ASP  65  10.110   0.632   6.960
  Start of MODEL    6
 4140    HA   ASP  65           HA       ASP  65  10.286  -2.129   6.681
  Start of MODEL    6
 4141    HB2  ASP  65           HB2      ASP  65   8.353  -0.359   6.150
  Start of MODEL    6
 4142    HB3  ASP  65           HB3      ASP  65   8.942  -0.587   4.507
  Start of MODEL    6
 4143    H    ASP  66           H        ASP  66  12.018   0.323   5.059
  Start of MODEL    6
 4144    HA   ASP  66           HA       ASP  66  13.473   0.385   3.326
  Start of MODEL    6
 4145    HB2  ASP  66           HB2      ASP  66  13.995  -1.990   4.841
  Start of MODEL    6
 4146    HB3  ASP  66           HB3      ASP  66  14.403  -2.275   3.154
  Start of MODEL    6
 4147    H    VAL  67           H        VAL  67  12.378  -2.970   2.794
  Start of MODEL    6
 4148    HA   VAL  67           HA       VAL  67  10.813  -2.352   0.496
  Start of MODEL    6
 4149    HB   VAL  67           HB       VAL  67  12.345  -3.704  -1.090
  Start of MODEL    6
 4150    HA   PRO  68           HA       PRO  68   9.820  -6.364   2.409
  Start of MODEL    6
 4151    HB3  PRO  68           HB2      PRO  68   8.023  -5.440   3.472
  Start of MODEL    6
 4152    HB2  PRO  68           HB3      PRO  68   7.138  -6.118   2.102
  Start of MODEL    6
 4153    HG2  PRO  68           HG2      PRO  68   7.021  -4.093   1.007
  Start of MODEL    6
 4154    HG3  PRO  68           HG3      PRO  68   7.055  -3.501   2.677
  Start of MODEL    6
 4155    HD3  PRO  68           HD2      PRO  68   9.223  -2.772   2.497
  Start of MODEL    6
 4156    HD2  PRO  68           HD3      PRO  68   8.868  -2.775   0.765
  Start of MODEL    6
 4157    H    GLY  69           H        GLY  69   9.388  -5.022  -0.706
  Start of MODEL    6
 4158    HA3  GLY  69           HA2      GLY  69   9.311  -7.657  -1.897
  Start of MODEL    6
 4159    HA2  GLY  69           HA3      GLY  69   9.415  -6.123  -2.749
  Start of MODEL    6
 4160    H    ASP  70           H        ASP  70   6.979  -6.689  -0.335
  Start of MODEL    6
 4161    HA   ASP  70           HA       ASP  70   4.944  -7.373  -2.270
  Start of MODEL    6
 4162    HB3  ASP  70           HB2      ASP  70   4.223  -6.782   0.555
  Start of MODEL    6
 4163    HB2  ASP  70           HB3      ASP  70   5.283  -8.163   0.277
  Start of MODEL    6
 4164    H    LEU  71           H        LEU  71   6.250  -4.453  -0.943
  Start of MODEL    6
 4165    HA   LEU  71           HA       LEU  71   3.734  -3.032  -1.091
  Start of MODEL    6
 4166    HB2  LEU  71           HB2      LEU  71   5.758  -2.455   0.412
  Start of MODEL    6
 4167    HB3  LEU  71           HB3      LEU  71   6.447  -1.736  -1.036
  Start of MODEL    6
 4168    HG   LEU  71           HG       LEU  71   4.448  -0.254  -1.191
  Start of MODEL    6
 4169   HD11  LEU  71          HD11      LEU  71   6.623   0.373  -0.141
  Start of MODEL    6
 4170   HD13  LEU  71          HD12      LEU  71   5.910  -0.010   1.427
  Start of MODEL    6
 4171   HD12  LEU  71          HD13      LEU  71   5.229   1.285   0.442
  Start of MODEL    6
 4172   HD22  LEU  71          HD21      LEU  71   3.046   0.018   0.811
  Start of MODEL    6
 4173   HD21  LEU  71          HD22      LEU  71   3.822  -1.393   1.533
  Start of MODEL    6
 4174   HD23  LEU  71          HD23      LEU  71   2.848  -1.572   0.073
  Start of MODEL    6
 4175    H    ARG  72           H        ARG  72   6.767  -3.046  -2.947
  Start of MODEL    6
 4176    HA   ARG  72           HA       ARG  72   6.013  -1.349  -5.016
  Start of MODEL    6
 4177    HB2  ARG  72           HB2      ARG  72   8.310  -2.341  -4.588
  Start of MODEL    6
 4178    HB3  ARG  72           HB3      ARG  72   7.719  -3.787  -5.376
  Start of MODEL    6
 4179    HG2  ARG  72           HG2      ARG  72   7.194  -1.497  -7.011
  Start of MODEL    6
 4180    HG3  ARG  72           HG3      ARG  72   8.896  -1.552  -6.553
  Start of MODEL    6
 4181    HD2  ARG  72           HD2      ARG  72   7.361  -3.835  -7.785
  Start of MODEL    6
 4182    HD3  ARG  72           HD3      ARG  72   8.435  -2.740  -8.656
  Start of MODEL    6
 4183    HE   ARG  72           HE       ARG  72   9.973  -3.761  -6.636
  Start of MODEL    6
 4184   HH12  ARG  72          HH11      ARG  72   9.162  -6.525  -9.430
  Start of MODEL    6
 4185   HH11  ARG  72          HH12      ARG  72   8.129  -5.144  -9.275
  Start of MODEL    6
 4186   HH21  ARG  72          HH21      ARG  72  11.326  -5.580  -6.851
  Start of MODEL    6
 4187   HH22  ARG  72          HH22      ARG  72  10.974  -6.772  -8.057
  Start of MODEL    6
 4188    H    ALA  73           H        ALA  73   5.937  -4.889  -4.991
  Start of MODEL    6
 4189    HA   ALA  73           HA       ALA  73   4.670  -5.370  -7.384
  Start of MODEL    6
 4190    HB3  ALA  73           HB1      ALA  73   5.584  -7.156  -5.978
  Start of MODEL    6
 4191    HB2  ALA  73           HB2      ALA  73   3.923  -7.508  -6.452
  Start of MODEL    6
 4192    HB1  ALA  73           HB3      ALA  73   4.271  -6.927  -4.823
  Start of MODEL    6
 4193    H    LYS  74           H        LYS  74   3.354  -4.310  -4.374
  Start of MODEL    6
 4194    HA   LYS  74           HA       LYS  74   0.590  -4.594  -5.077
  Start of MODEL    6
 4195    HB3  LYS  74           HB2      LYS  74   1.478  -2.643  -3.028
  Start of MODEL    6
 4196    HB2  LYS  74           HB3      LYS  74   1.755  -4.339  -2.707
  Start of MODEL    6
 4197    HG2  LYS  74           HG2      LYS  74  -0.395  -3.252  -1.821
  Start of MODEL    6
 4198    HG3  LYS  74           HG3      LYS  74  -0.956  -3.331  -3.490
  Start of MODEL    6
 4199    HD2  LYS  74           HD2      LYS  74  -0.510  -5.773  -3.476
  Start of MODEL    6
 4200    HD3  LYS  74           HD3      LYS  74  -0.084  -5.651  -1.768
  Start of MODEL    6
 4201    HE3  LYS  74           HE2      LYS  74  -2.758  -4.905  -2.947
  Start of MODEL    6
 4202    HE2  LYS  74           HE3      LYS  74  -2.324  -4.874  -1.239
  Start of MODEL    6
 4203    HZ1  LYS  74           HZ1      LYS  74  -2.026  -7.259  -1.289
  Start of MODEL    6
 4204    HZ3  LYS  74           HZ2      LYS  74  -2.384  -7.308  -2.941
  Start of MODEL    6
 4205    HZ2  LYS  74           HZ3      LYS  74  -3.579  -6.863  -1.830
  Start of MODEL    6
 4206    H    VAL  75           H        VAL  75   2.981  -2.041  -5.049
  Start of MODEL    6
 4207    HA   VAL  75           HA       VAL  75   1.247   0.039  -5.952
  Start of MODEL    6
 4208    HB   VAL  75           HB       VAL  75   4.268  -0.116  -6.091
  Start of MODEL    6
 4209    H    MET  76           H        MET  76   3.884  -1.748  -7.670
  Start of MODEL    6
 4210    HA   MET  76           HA       MET  76   3.362  -0.710 -10.185
  Start of MODEL    6
 4211    HB3  MET  76           HB2      MET  76   5.365  -2.028  -9.672
  Start of MODEL    6
 4212    HB2  MET  76           HB3      MET  76   4.542  -2.660 -11.088
  Start of MODEL    6
 4213    HG2  MET  76           HG2      MET  76   5.464  -4.129  -8.996
  Start of MODEL    6
 4214    HG3  MET  76           HG3      MET  76   3.775  -3.919  -8.554
  Start of MODEL    6
 4215    HE2  MET  76           HE1      MET  76   5.433  -6.280 -12.119
  Start of MODEL    6
 4216    HE1  MET  76           HE2      MET  76   6.314  -5.813 -10.664
  Start of MODEL    6
 4217    HE3  MET  76           HE3      MET  76   5.873  -4.592 -11.859
  Start of MODEL    6
 4218    H    GLY  77           H        GLY  77   1.997  -3.603  -8.659
  Start of MODEL    6
 4219    HA2  GLY  77           HA2      GLY  77   0.387  -4.449 -10.793
  Start of MODEL    6
 4220    HA3  GLY  77           HA3      GLY  77   0.087  -4.810  -9.105
  Start of MODEL    6
 4221    H    ARG  78           H        ARG  78  -0.203  -2.023  -8.288
  Start of MODEL    6
 4222    HA   ARG  78           HA       ARG  78  -2.958  -1.669  -8.938
  Start of MODEL    6
 4223    HB3  ARG  78           HB2      ARG  78  -2.501   0.567  -7.663
  Start of MODEL    6
 4224    HB2  ARG  78           HB3      ARG  78  -0.958  -0.182  -7.297
  Start of MODEL    6
 4225    HG2  ARG  78           HG2      ARG  78  -2.371  -2.168  -6.445
  Start of MODEL    6
 4226    HG3  ARG  78           HG3      ARG  78  -2.232  -0.720  -5.447
  Start of MODEL    6
 4227    HD3  ARG  78           HD2      ARG  78  -4.534  -1.487  -7.236
  Start of MODEL    6
 4228    HD2  ARG  78           HD3      ARG  78  -4.386   0.074  -6.425
  Start of MODEL    6
 4229    HE   ARG  78           HE       ARG  78  -5.149  -2.438  -5.247
  Start of MODEL    6
 4230   HH12  ARG  78          HH11      ARG  78  -4.280   0.712  -2.915
  Start of MODEL    6
 4231   HH11  ARG  78          HH12      ARG  78  -3.806   0.731  -4.580
  Start of MODEL    6
 4232   HH21  ARG  78          HH21      ARG  78  -5.766  -2.451  -3.057
  Start of MODEL    6
 4233   HH22  ARG  78          HH22      ARG  78  -5.390  -1.091  -2.052
  Start of MODEL    6
 4234    H    LEU  79           H        LEU  79   0.135  -0.146  -9.833
  Start of MODEL    6
 4235    HA   LEU  79           HA       LEU  79  -0.971   1.959 -11.360
  Start of MODEL    6
 4236    HB3  LEU  79           HB2      LEU  79   1.670   0.529 -11.364
  Start of MODEL    6
 4237    HB2  LEU  79           HB3      LEU  79   1.316   2.186 -10.923
  Start of MODEL    6
 4238    HG   LEU  79           HG       LEU  79   1.647   1.008 -13.671
  Start of MODEL    6
 4239   HD12  LEU  79          HD11      LEU  79   3.364   2.581 -13.926
  Start of MODEL    6
 4240   HD11  LEU  79          HD12      LEU  79   3.569   1.943 -12.295
  Start of MODEL    6
 4241   HD13  LEU  79          HD13      LEU  79   2.828   3.523 -12.536
  Start of MODEL    6
 4242   HD23  LEU  79          HD21      LEU  79  -0.141   2.266 -14.270
  Start of MODEL    6
 4243   HD22  LEU  79          HD22      LEU  79   1.072   3.542 -14.282
  Start of MODEL    6
 4244   HD21  LEU  79          HD23      LEU  79   0.009   3.349 -12.889
  Start of MODEL    6
 4245    H    ASP  80           H        ASP  80   0.303  -1.239 -12.314
  Start of MODEL    6
 4246    HA   ASP  80           HA       ASP  80  -0.447  -1.287 -14.952
  Start of MODEL    6
 4247    HB3  ASP  80           HB2      ASP  80  -0.548  -3.592 -12.964
  Start of MODEL    6
 4248    HB2  ASP  80           HB3      ASP  80   0.880  -3.055 -13.850
  Start of MODEL    6
 4249    H    LEU  81           H        LEU  81  -2.456  -1.657 -12.074
  Start of MODEL    6
 4250    HA   LEU  81           HA       LEU  81  -4.803  -2.543 -13.442
  Start of MODEL    6
 4251    HB2  LEU  81           HB2      LEU  81  -3.993  -2.681 -10.915
  Start of MODEL    6
 4252    HB3  LEU  81           HB3      LEU  81  -4.826  -1.151 -10.808
  Start of MODEL    6
 4253    HG   LEU  81           HG       LEU  81  -5.990  -3.796 -11.510
  Start of MODEL    6
 4254   HD13  LEU  81          HD11      LEU  81  -7.092  -3.668  -9.454
  Start of MODEL    6
 4255   HD12  LEU  81          HD12      LEU  81  -6.793  -1.934  -9.312
  Start of MODEL    6
 4256   HD11  LEU  81          HD13      LEU  81  -5.463  -3.076  -9.108
  Start of MODEL    6
 4257   HD23  LEU  81          HD21      LEU  81  -8.169  -2.529 -11.581
  Start of MODEL    6
 4258   HD22  LEU  81          HD22      LEU  81  -7.087  -2.249 -12.944
  Start of MODEL    6
 4259   HD21  LEU  81          HD23      LEU  81  -7.208  -1.051 -11.657
  Start of MODEL    6
 4260    H    ILE  82           H        ILE  82  -3.434   0.428 -12.254
  Start of MODEL    6
 4261    HA   ILE  82           HA       ILE  82  -5.652   2.134 -12.769
  Start of MODEL    6
 4262    HB   ILE  82           HB       ILE  82  -2.746   2.596 -12.183
  Start of MODEL    6
 4263   HD11  ILE  82          HD11      ILE  82  -2.862   4.374  -9.953
  Start of MODEL    6
 4264   HD13  ILE  82          HD12      ILE  82  -2.434   2.673  -9.773
  Start of MODEL    6
 4265   HD12  ILE  82          HD13      ILE  82  -3.686   3.380  -8.753
  Start of MODEL    6
 4266    H    ARG  83           H        ARG  83  -2.563   1.690 -14.533
  Start of MODEL    6
 4267    HA   ARG  83           HA       ARG  83  -3.174   3.320 -16.715
  Start of MODEL    6
 4268    HB3  ARG  83           HB2      ARG  83  -0.920   2.606 -16.170
  Start of MODEL    6
 4269    HB2  ARG  83           HB3      ARG  83  -1.312   2.197 -17.828
  Start of MODEL    6
 4270    HG2  ARG  83           HG2      ARG  83  -0.242   0.543 -15.865
  Start of MODEL    6
 4271    HG3  ARG  83           HG3      ARG  83  -1.921   0.022 -16.022
  Start of MODEL    6
 4272    HD2  ARG  83           HD2      ARG  83  -1.459  -1.010 -17.924
  Start of MODEL    6
 4273    HD3  ARG  83           HD3      ARG  83  -0.855   0.493 -18.613
  Start of MODEL    6
 4274    HE   ARG  83           HE       ARG  83   1.125  -0.621 -16.957
  Start of MODEL    6
 4275   HH12  ARG  83          HH11      ARG  83   0.925  -2.044 -20.704
  Start of MODEL    6
 4276   HH11  ARG  83          HH12      ARG  83  -0.443  -1.224 -20.030
  Start of MODEL    6
 4277   HH21  ARG  83          HH21      ARG  83   2.919  -1.701 -17.851
  Start of MODEL    6
 4278   HH22  ARG  83          HH22      ARG  83   2.832  -2.315 -19.468
  Start of MODEL    6
 4279    H    SER  84           H        SER  84  -3.956  -0.065 -16.117
  Start of MODEL    6
 4280    HA   SER  84           HA       SER  84  -5.338  -0.153 -18.704
  Start of MODEL    6
 4281    HB2  SER  84           HB2      SER  84  -3.336  -1.719 -18.322
  Start of MODEL    6
 4282    HB3  SER  84           HB3      SER  84  -4.403  -2.603 -17.228
  Start of MODEL    6
 4283    HG   SER  84           HG       SER  84  -4.449  -3.429 -19.373
  Start of MODEL    6
 4284    H    GLY  85           H        GLY  85  -6.416   0.786 -16.099
  Start of MODEL    6
 4285    HA2  GLY  85           HA2      GLY  85  -8.964  -0.380 -16.230
  Start of MODEL    6
 4286    HA3  GLY  85           HA3      GLY  85  -8.079  -1.169 -14.929
  Start of MODEL    6
 4287    H    GLN  86           H        GLN  86  -9.893  -0.218 -13.643
  Start of MODEL    6
 4288    HA   GLN  86           HA       GLN  86  -9.093   2.387 -12.618
  Start of MODEL    6
 4289    HB2  GLN  86           HB2      GLN  86 -11.962   1.725 -13.267
  Start of MODEL    6
 4290    HB3  GLN  86           HB3      GLN  86 -11.351   3.249 -12.635
  Start of MODEL    6
 4291    HG2  GLN  86           HG2      GLN  86 -10.157   3.656 -14.703
  Start of MODEL    6
 4292    HG3  GLN  86           HG3      GLN  86 -10.666   2.088 -15.328
  Start of MODEL    6
 4293   HE21  GLN  86          HE21      GLN  86 -12.874   1.776 -15.862
  Start of MODEL    6
 4294   HE22  GLN  86          HE22      GLN  86 -13.905   3.120 -16.200
  Start of MODEL    6
 4295    H    SER  87           H        SER  87 -11.404  -0.299 -12.188
  Start of MODEL    6
 4296    HA   SER  87           HA       SER  87 -12.110   0.065  -9.563
  Start of MODEL    6
 4297    HB2  SER  87           HB2      SER  87 -11.572  -2.622 -10.850
  Start of MODEL    6
 4298    HB3  SER  87           HB3      SER  87 -12.628  -2.309  -9.473
  Start of MODEL    6
 4299    HG   SER  87           HG       SER  87 -13.066  -1.904 -12.169
  Start of MODEL    6
 4300    H    VAL  88           H        VAL  88 -11.260  -0.310  -7.583
  Start of MODEL    6
 4301    HA   VAL  88           HA       VAL  88  -8.767  -1.757  -7.294
  Start of MODEL    6
 4302    HB   VAL  88           HB       VAL  88  -7.983   0.232  -5.756
  Start of MODEL    6
 4303    HA   PRO  89           HA       PRO  89 -11.582  -2.428  -3.751
  Start of MODEL    6
 4304    HB2  PRO  89           HB2      PRO  89 -11.948  -5.130  -4.426
  Start of MODEL    6
 4305    HB3  PRO  89           HB3      PRO  89 -13.052  -3.797  -4.785
  Start of MODEL    6
 4306    HG3  PRO  89           HG2      PRO  89 -12.438  -3.781  -6.973
  Start of MODEL    6
 4307    HG2  PRO  89           HG3      PRO  89 -11.611  -5.311  -6.662
  Start of MODEL    6
 4308    HD3  PRO  89           HD2      PRO  89 -10.353  -3.089  -7.530
  Start of MODEL    6
 4309    HD2  PRO  89           HD3      PRO  89  -9.576  -4.273  -6.457
  Start of MODEL    6
 4310    H    GLU  90           H        GLU  90 -11.236  -3.536  -1.807
  Start of MODEL    6
 4311    HA   GLU  90           HA       GLU  90 -10.078  -4.534  -0.141
  Start of MODEL    6
 4312    HB2  GLU  90           HB2      GLU  90  -8.822  -6.184  -2.306
  Start of MODEL    6
 4313    HB3  GLU  90           HB3      GLU  90  -8.858  -6.569  -0.599
  Start of MODEL    6
 4314    HG3  GLU  90           HG2      GLU  90 -11.223  -6.425  -2.457
  Start of MODEL    6
 4315    HG2  GLU  90           HG3      GLU  90 -11.320  -6.708  -0.720
  Start of MODEL    6
 4316    H    HIS  91           H        HIS  91  -8.270  -4.191   1.050
  Start of MODEL    6
 4317    HA   HIS  91           HA       HIS  91  -5.942  -2.994  -0.319
  Start of MODEL    6
 4318    HB3  HIS  91           HB2      HIS  91  -5.734  -1.750   1.992
  Start of MODEL    6
 4319    HB2  HIS  91           HB3      HIS  91  -7.459  -2.085   2.095
  Start of MODEL    6
 4320    HD1  HIS  91           HD1      HIS  91  -5.022   0.184   0.552
  Start of MODEL    6
 4321    HD2  HIS  91           HD2      HIS  91  -9.011  -0.841   0.002
  Start of MODEL    6
 4322    HE1  HIS  91           HE1      HIS  91  -5.991   2.004  -0.887
  Start of MODEL    6
 4323    HE2  HIS  91           HE2      HIS  91  -8.427   1.408  -1.134
  Start of MODEL    6
 4324    H    ASP  92           H        ASP  92  -7.006  -5.535   1.631
  Start of MODEL    6
 4325    HA   ASP  92           HA       ASP  92  -5.959  -7.121   2.883
  Start of MODEL    6
 4326    HB2  ASP  92           HB2      ASP  92  -3.695  -6.160   1.125
  Start of MODEL    6
 4327    HB3  ASP  92           HB3      ASP  92  -3.516  -7.513   2.238
  Start of MODEL    6
 4328    H    VAL  93           H        VAL  93  -3.009  -5.269   2.707
  Start of MODEL    6
 4329    HA   VAL  93           HA       VAL  93  -3.325  -3.928   5.221
  Start of MODEL    6
 4330    HB   VAL  93           HB       VAL  93  -1.260  -6.120   4.922
  Start of MODEL    6
 4331    H    ALA  94           H        ALA  94  -2.807  -3.400   2.362
  Start of MODEL    6
 4332    HA   ALA  94           HA       ALA  94  -0.051  -2.633   2.152
  Start of MODEL    6
 4333    HB3  ALA  94           HB1      ALA  94  -1.310  -3.394   0.193
  Start of MODEL    6
 4334    HB2  ALA  94           HB2      ALA  94  -0.642  -1.778  -0.043
  Start of MODEL    6
 4335    HB1  ALA  94           HB3      ALA  94  -2.356  -1.980   0.326
  Start of MODEL    6
 4336    H    ALA  95           H        ALA  95  -3.128  -0.945   2.562
  Start of MODEL    6
 4337    HA   ALA  95           HA       ALA  95  -1.788   1.249   3.867
  Start of MODEL    6
 4338    HB2  ALA  95           HB1      ALA  95  -2.623   2.995   2.350
  Start of MODEL    6
 4339    HB1  ALA  95           HB2      ALA  95  -3.215   1.746   1.256
  Start of MODEL    6
 4340    HB3  ALA  95           HB3      ALA  95  -1.484   1.912   1.550
  Start of MODEL    6
 4341    H    ALA  96           H        ALA  96  -3.079   0.789   5.646
  Start of MODEL    6
 4342    HA   ALA  96           HA       ALA  96  -4.943   0.690   6.963
  Start of MODEL    6
 4343    HB1  ALA  96           HB1      ALA  96  -5.798   2.940   5.143
  Start of MODEL    6
 4344    HB3  ALA  96           HB2      ALA  96  -4.794   3.096   6.584
  Start of MODEL    6
 4345    HB2  ALA  96           HB3      ALA  96  -6.474   2.580   6.732
  Start of MODEL    6
 4346    HA   PRO  97           HA       PRO  97  -7.446  -1.765   4.003
  Start of MODEL    6
 4347    HB2  PRO  97           HB2      PRO  97  -7.162  -4.150   5.117
  Start of MODEL    6
 4348    HB3  PRO  97           HB3      PRO  97  -5.801  -3.403   4.252
  Start of MODEL    6
 4349    HG3  PRO  97           HG2      PRO  97  -4.841  -3.857   6.346
  Start of MODEL    6
 4350    HG2  PRO  97           HG3      PRO  97  -6.341  -3.483   7.212
  Start of MODEL    6
 4351    HD3  PRO  97           HD2      PRO  97  -4.281  -1.643   6.118
  Start of MODEL    6
 4352    HD2  PRO  97           HD3      PRO  97  -5.372  -1.428   7.502
  Start of MODEL    6
 4353    H    SER  98           H        SER  98  -9.595  -1.742   4.146
  Start of MODEL    6
 4354    HA   SER  98           HA       SER  98 -11.035  -2.830   6.350
  Start of MODEL    6
 4355    HB3  SER  98           HB2      SER  98 -10.480  -0.706   7.411
  Start of MODEL    6
 4356    HB2  SER  98           HB3      SER  98 -12.203  -0.744   7.036
  Start of MODEL    6
 4357    HG   SER  98           HG       SER  98 -11.211   1.242   6.440
  Start of MODEL    6
 4358    H    SER  99           H        SER  99 -11.021  -3.363   3.605
  Start of MODEL    6
 4359    HA   SER  99           HA       SER  99 -13.523  -2.208   2.597
  Start of MODEL    6
 4360    HB3  SER  99           HB2      SER  99 -12.346  -3.951   0.680
  Start of MODEL    6
 4361    HB2  SER  99           HB3      SER  99 -11.067  -2.937   1.352
  Start of MODEL    6
 4362    HG   SER  99           HG       SER  99 -12.050  -1.903  -0.400
  Start of MODEL    6
 4363    H    SER 100           H        SER 100 -11.938  -5.387   2.960
  Start of MODEL    6
 4364    HA   SER 100           HA       SER 100 -14.618  -6.593   3.197
  Start of MODEL    6
 4365    HB2  SER 100           HB2      SER 100 -13.685  -8.634   2.090
  Start of MODEL    6
 4366    HB3  SER 100           HB3      SER 100 -13.746  -7.224   1.031
  Start of MODEL    6
 4367    HG   SER 100           HG       SER 100 -11.739  -8.382   0.937
  Start of MODEL    6
 4368    H    ALA 101           H        ALA 101 -11.152  -7.136   3.879
  Start of MODEL    6
 4369    HA   ALA 101           HA       ALA 101 -11.948  -8.419   6.417
  Start of MODEL    6
 4370    HB3  ALA 101           HB1      ALA 101 -11.085 -10.090   4.874
  Start of MODEL    6
 4371    HB2  ALA 101           HB2      ALA 101  -9.977  -9.864   6.226
  Start of MODEL    6
 4372    HB1  ALA 101           HB3      ALA 101  -9.608  -9.150   4.657
  Start of MODEL    6
 4373    HA   PRO 102           HA       PRO 102  -9.636  -4.505   7.462
  Start of MODEL    6
 4374    HB3  PRO 102           HB2      PRO 102 -10.776  -3.705   9.307
  Start of MODEL    6
 4375    HB2  PRO 102           HB3      PRO 102 -10.969  -5.313  10.017
  Start of MODEL    6
 4376    HG2  PRO 102           HG2      PRO 102 -13.106  -4.932   9.131
  Start of MODEL    6
 4377    HG3  PRO 102           HG3      PRO 102 -12.453  -4.065   7.727
  Start of MODEL    6
 4378    HD2  PRO 102           HD2      PRO 102 -12.540  -7.009   8.263
  Start of MODEL    6
 4379    HD3  PRO 102           HD3      PRO 102 -12.799  -6.130   6.740
  Start of MODEL    6
 4380    H    GLN 103           H        GLN 103  -9.951  -7.395   9.554
  Start of MODEL    6
 4381    HA   GLN 103           HA       GLN 103  -7.042  -7.489   9.818
  Start of MODEL    6
 4382    HB3  GLN 103           HB2      GLN 103  -7.684  -6.198  11.754
  Start of MODEL    6
 4383    HB2  GLN 103           HB3      GLN 103  -7.203  -7.803  12.277
  Start of MODEL    6
 4384    HG2  GLN 103           HG2      GLN 103 -10.015  -7.807  11.810
  Start of MODEL    6
 4385    HG3  GLN 103           HG3      GLN 103  -9.132  -8.081  13.309
  Start of MODEL    6
 4386   HE22  GLN 103          HE21      GLN 103  -9.563  -4.790  14.528
  Start of MODEL    6
 4387   HE21  GLN 103          HE22      GLN 103  -8.522  -6.169  14.559
  Start of MODEL    6
 4388    H    GLU 104           H        GLU 104  -8.464  -9.167   8.244
  Start of MODEL    6
 4389    HA   GLU 104           HA       GLU 104  -9.038 -11.322   7.808
  Start of MODEL    6
 4390    HB2  GLU 104           HB2      GLU 104  -6.531 -11.298   8.440
  Start of MODEL    6
 4391    HB3  GLU 104           HB3      GLU 104  -7.042 -12.110   9.914
  Start of MODEL    6
 4392    HG3  GLU 104           HG2      GLU 104  -7.517 -13.098   7.107
  Start of MODEL    6
 4393    HG2  GLU 104           HG3      GLU 104  -8.016 -13.915   8.587
  Start of MODEL    6
 4394    H    SER 105           H        SER 105 -11.170 -11.174   8.684
  Start of MODEL    6
 4395    HA   SER 105           HA       SER 105 -11.546 -12.895  11.034
  Start of MODEL    6
 4396    HB3  SER 105           HB2      SER 105 -13.120 -10.346  10.599
  Start of MODEL    6
 4397    HB2  SER 105           HB3      SER 105 -11.757 -10.483  11.710
  Start of MODEL    6
 4398    HG   SER 105           HG       SER 105 -13.782 -10.798  12.750
  Start of MODEL    7
 4399    HA2  GLY  -2           HA2      GLY  -2 -15.857  -3.918  -3.651
  Start of MODEL    7
 4400    HA3  GLY  -2           HA3      GLY  -2 -14.668  -3.268  -2.533
  Start of MODEL    7
 4401    H    SER  -1           H        SER  -1 -15.386  -1.394  -1.194
  Start of MODEL    7
 4402    HA   SER  -1           HA       SER  -1 -18.097  -1.899  -0.220
  Start of MODEL    7
 4403    HB3  SER  -1           HB2      SER  -1 -15.944  -0.180   1.037
  Start of MODEL    7
 4404    HB2  SER  -1           HB3      SER  -1 -16.142  -1.904   1.356
  Start of MODEL    7
 4405    HG   SER  -1           HG       SER  -1 -17.704   0.251   2.169
  Start of MODEL    7
 4406    H    HIS   0           H        HIS   0 -16.047   0.893  -1.093
  Start of MODEL    7
 4407    HA   HIS   0           HA       HIS   0 -18.458   2.316  -1.967
  Start of MODEL    7
 4408    HB3  HIS   0           HB2      HIS   0 -18.096   3.186   0.249
  Start of MODEL    7
 4409    HB2  HIS   0           HB3      HIS   0 -17.595   4.416  -0.908
  Start of MODEL    7
 4410    HD1  HIS   0           HD1      HIS   0 -15.058   4.949  -1.049
  Start of MODEL    7
 4411    HD2  HIS   0           HD2      HIS   0 -16.059   2.149   1.854
  Start of MODEL    7
 4412    HE1  HIS   0           HE1      HIS   0 -13.017   4.728   0.404
  Start of MODEL    7
 4413    HE2  HIS   0           HE2      HIS   0 -13.678   3.095   2.205
  Start of MODEL    7
 4414    H    MET   1           H        MET   1 -18.182   3.628  -3.732
  Start of MODEL    7
 4415    HA   MET   1           HA       MET   1 -15.588   3.424  -5.084
  Start of MODEL    7
 4416    HB2  MET   1           HB2      MET   1 -18.348   4.130  -6.094
  Start of MODEL    7
 4417    HB3  MET   1           HB3      MET   1 -16.901   4.230  -7.087
  Start of MODEL    7
 4418    HG2  MET   1           HG2      MET   1 -16.519   1.832  -6.763
  Start of MODEL    7
 4419    HG3  MET   1           HG3      MET   1 -17.986   1.738  -5.790
  Start of MODEL    7
 4420    HE2  MET   1           HE1      MET   1 -18.962  -0.110  -9.122
  Start of MODEL    7
 4421    HE1  MET   1           HE2      MET   1 -18.832  -0.248  -7.369
  Start of MODEL    7
 4422    HE3  MET   1           HE3      MET   1 -17.375  -0.107  -8.352
  Start of MODEL    7
 4423    H    SER   2           H        SER   2 -14.399   5.181  -5.712
  Start of MODEL    7
 4424    HA   SER   2           HA       SER   2 -15.414   7.847  -4.965
  Start of MODEL    7
 4425    HB3  SER   2           HB2      SER   2 -13.832   7.182  -3.253
  Start of MODEL    7
 4426    HB2  SER   2           HB3      SER   2 -13.093   8.432  -4.253
  Start of MODEL    7
 4427    HG   SER   2           HG       SER   2 -11.673   6.674  -3.857
  Start of MODEL    7
 4428    H    ALA   3           H        ALA   3 -15.596   9.051  -6.734
  Start of MODEL    7
 4429    HA   ALA   3           HA       ALA   3 -13.630   8.695  -8.908
  Start of MODEL    7
 4430    HB3  ALA   3           HB1      ALA   3 -15.903   8.029  -9.542
  Start of MODEL    7
 4431    HB2  ALA   3           HB2      ALA   3 -15.353   9.429 -10.462
  Start of MODEL    7
 4432    HB1  ALA   3           HB3      ALA   3 -16.489   9.641  -9.129
  Start of MODEL    7
 4433    H    GLY   4           H        GLY   4 -12.881  10.324  -6.848
  Start of MODEL    7
 4434    HA2  GLY   4           HA2      GLY   4 -13.586  13.076  -7.462
  Start of MODEL    7
 4435    HA3  GLY   4           HA3      GLY   4 -12.496  12.531  -6.197
  Start of MODEL    7
 4436    H    GLU   5           H        GLU   5 -12.772  13.067  -9.681
  Start of MODEL    7
 4437    HA   GLU   5           HA       GLU   5  -9.852  13.221  -9.860
  Start of MODEL    7
 4438    HB2  GLU   5           HB2      GLU   5 -11.886  12.845 -12.065
  Start of MODEL    7
 4439    HB3  GLU   5           HB3      GLU   5 -10.139  12.908 -12.287
  Start of MODEL    7
 4440    HG3  GLU   5           HG2      GLU   5 -11.711  10.803 -10.815
  Start of MODEL    7
 4441    HG2  GLU   5           HG3      GLU   5  -9.950  10.895 -10.833
  Start of MODEL    7
 4442    HA   PRO   6           HA       PRO   6 -11.012  17.643 -10.177
  Start of MODEL    7
 4443    HB2  PRO   6           HB2      PRO   6  -8.716  18.645  -9.203
  Start of MODEL    7
 4444    HB3  PRO   6           HB3      PRO   6  -9.931  17.912  -8.144
  Start of MODEL    7
 4445    HG2  PRO   6           HG2      PRO   6  -7.438  16.681  -9.277
  Start of MODEL    7
 4446    HG3  PRO   6           HG3      PRO   6  -8.014  16.680  -7.599
  Start of MODEL    7
 4447    HD2  PRO   6           HD2      PRO   6  -8.412  14.586  -9.252
  Start of MODEL    7
 4448    HD3  PRO   6           HD3      PRO   6  -9.597  15.055  -8.009
  Start of MODEL    7
 4449    H    HIS   7           H        HIS   7  -9.313  19.550 -10.967
  Start of MODEL    7
 4450    HA   HIS   7           HA       HIS   7  -8.632  18.757 -13.683
  Start of MODEL    7
 4451    HB2  HIS   7           HB2      HIS   7  -8.693  21.448 -12.298
  Start of MODEL    7
 4452    HB3  HIS   7           HB3      HIS   7  -8.194  21.229 -13.972
  Start of MODEL    7
 4453    HD1  HIS   7           HD1      HIS   7 -11.223  21.085 -11.759
  Start of MODEL    7
 4454    HD2  HIS   7           HD2      HIS   7 -10.259  20.856 -15.795
  Start of MODEL    7
 4455    HE1  HIS   7           HE1      HIS   7 -13.415  21.218 -12.983
  Start of MODEL    7
 4456    HE2  HIS   7           HE2      HIS   7 -12.799  21.164 -15.425
  Start of MODEL    7
 4457    H    GLU   8           H        GLU   8  -6.711  17.745 -13.853
  Start of MODEL    7
 4458    HA   GLU   8           HA       GLU   8  -4.373  18.988 -12.549
  Start of MODEL    7
 4459    HB2  GLU   8           HB2      GLU   8  -4.334  16.116 -13.373
  Start of MODEL    7
 4460    HB3  GLU   8           HB3      GLU   8  -3.452  16.923 -12.086
  Start of MODEL    7
 4461    HG3  GLU   8           HG2      GLU   8  -5.908  17.189 -11.098
  Start of MODEL    7
 4462    HG2  GLU   8           HG3      GLU   8  -4.904  15.771 -10.804
  Start of MODEL    7
 4463    H    THR   9           H        THR   9  -2.364  17.568 -13.871
  Start of MODEL    7
 4464    HA   THR   9           HA       THR   9  -2.754  18.226 -16.693
  Start of MODEL    7
 4465    HB   THR   9           HB       THR   9  -0.560  19.290 -16.795
  Start of MODEL    7
 4466    HG1  THR   9           HG1      THR   9  -0.448  18.940 -13.981
  Start of MODEL    7
 4467   HG21  THR   9          HG21      THR   9  -2.177  20.453 -14.539
  Start of MODEL    7
 4468   HG23  THR   9          HG22      THR   9  -2.432  20.756 -16.259
  Start of MODEL    7
 4469   HG22  THR   9          HG23      THR   9  -0.943  21.292 -15.481
  Start of MODEL    7
 4470    H    ASP  10           H        ASP  10   0.071  17.059 -14.833
  Start of MODEL    7
 4471    HA   ASP  10           HA       ASP  10   0.214  14.755 -16.665
  Start of MODEL    7
 4472    HB2  ASP  10           HB2      ASP  10   2.363  15.918 -14.867
  Start of MODEL    7
 4473    HB3  ASP  10           HB3      ASP  10   2.573  14.577 -15.994
  Start of MODEL    7
 4474    H    CYS  11           H        CYS  11  -0.860  13.068 -15.819
  Start of MODEL    7
 4475    HA   CYS  11           HA       CYS  11  -0.509  12.476 -12.947
  Start of MODEL    7
 4476    HB3  CYS  11           HB2      CYS  11  -2.636  11.289 -13.062
  Start of MODEL    7
 4477    HB2  CYS  11           HB3      CYS  11  -2.742  11.596 -14.792
  Start of MODEL    7
 4478    H    SER  12           H        SER  12  -0.952  10.785 -16.091
  Start of MODEL    7
 4479    HA   SER  12           HA       SER  12  -0.225   8.238 -15.210
  Start of MODEL    7
 4480    HB2  SER  12           HB2      SER  12   0.128   9.515 -17.925
  Start of MODEL    7
 4481    HB3  SER  12           HB3      SER  12   0.435   7.808 -17.599
  Start of MODEL    7
 4482    HG   SER  12           HG       SER  12  -1.688   8.173 -18.388
  Start of MODEL    7
 4483    H    GLU  13           H        GLU  13   1.733  11.004 -16.025
  Start of MODEL    7
 4484    HA   GLU  13           HA       GLU  13   4.216   9.742 -16.332
  Start of MODEL    7
 4485    HB3  GLU  13           HB2      GLU  13   4.121  12.416 -15.068
  Start of MODEL    7
 4486    HB2  GLU  13           HB3      GLU  13   3.384  12.270 -16.653
  Start of MODEL    7
 4487    HG2  GLU  13           HG2      GLU  13   6.224  11.627 -15.915
  Start of MODEL    7
 4488    HG3  GLU  13           HG3      GLU  13   5.504  11.338 -17.497
  Start of MODEL    7
 4489    H    ILE  14           H        ILE  14   2.614  11.103 -13.483
  Start of MODEL    7
 4490    HA   ILE  14           HA       ILE  14   4.636  10.644 -11.604
  Start of MODEL    7
 4491    HB   ILE  14           HB       ILE  14   1.631  10.684 -11.306
  Start of MODEL    7
 4492   HD12  ILE  14          HD11      ILE  14   2.432  13.963  -9.361
  Start of MODEL    7
 4493   HD11  ILE  14          HD12      ILE  14   2.170  12.368  -8.662
  Start of MODEL    7
 4494   HD13  ILE  14          HD13      ILE  14   1.015  13.023  -9.824
  Start of MODEL    7
 4495    H    LEU  15           H        LEU  15   2.054   8.475 -12.821
  Start of MODEL    7
 4496    HA   LEU  15           HA       LEU  15   2.835   6.295 -11.220
  Start of MODEL    7
 4497    HB3  LEU  15           HB2      LEU  15   1.417   5.000 -12.542
  Start of MODEL    7
 4498    HB2  LEU  15           HB3      LEU  15   1.741   5.931 -13.990
  Start of MODEL    7
 4499    HG   LEU  15           HG       LEU  15   0.335   7.749 -13.184
  Start of MODEL    7
 4500   HD11  LEU  15          HD11      LEU  15  -0.655   5.808 -14.408
  Start of MODEL    7
 4501   HD13  LEU  15          HD12      LEU  15  -1.789   6.703 -13.397
  Start of MODEL    7
 4502   HD12  LEU  15          HD13      LEU  15  -1.150   5.155 -12.846
  Start of MODEL    7
 4503   HD22  LEU  15          HD21      LEU  15   0.667   7.701 -10.832
  Start of MODEL    7
 4504   HD21  LEU  15          HD22      LEU  15   0.047   6.054 -10.713
  Start of MODEL    7
 4505   HD23  LEU  15          HD23      LEU  15  -1.044   7.381 -11.113
  Start of MODEL    7
 4506    H    ASP  16           H        ASP  16   3.540   7.179 -14.636
  Start of MODEL    7
 4507    HA   ASP  16           HA       ASP  16   5.311   5.306 -15.373
  Start of MODEL    7
 4508    HB3  ASP  16           HB2      ASP  16   5.940   8.229 -15.802
  Start of MODEL    7
 4509    HB2  ASP  16           HB3      ASP  16   4.608   7.419 -16.621
  Start of MODEL    7
 4510    H    HIS  17           H        HIS  17   6.028   7.767 -12.850
  Start of MODEL    7
 4511    HA   HIS  17           HA       HIS  17   8.813   6.977 -12.817
  Start of MODEL    7
 4512    HB3  HIS  17           HB2      HIS  17   9.180   8.585 -11.224
  Start of MODEL    7
 4513    HB2  HIS  17           HB3      HIS  17   7.657   8.279 -10.401
  Start of MODEL    7
 4514    HD1  HIS  17           HD1      HIS  17   7.053  10.682 -10.143
  Start of MODEL    7
 4515    HD2  HIS  17           HD2      HIS  17   7.694   9.613 -14.100
  Start of MODEL    7
 4516    HE1  HIS  17           HE1      HIS  17   6.306  12.655 -11.486
  Start of MODEL    7
 4517    HE2  HIS  17           HE2      HIS  17   6.827  12.042 -13.880
  Start of MODEL    7
 4518    H    LEU  18           H        LEU  18   6.044   6.801 -10.571
  Start of MODEL    7
 4519    HA   LEU  18           HA       LEU  18   6.883   5.161  -8.629
  Start of MODEL    7
 4520    HB2  LEU  18           HB2      LEU  18   4.284   5.265 -10.086
  Start of MODEL    7
 4521    HB3  LEU  18           HB3      LEU  18   4.530   3.957  -8.948
  Start of MODEL    7
 4522    HG   LEU  18           HG       LEU  18   5.106   5.797  -7.238
  Start of MODEL    7
 4523   HD13  LEU  18          HD11      LEU  18   5.357   7.608  -8.883
  Start of MODEL    7
 4524   HD12  LEU  18          HD12      LEU  18   4.124   7.971  -7.670
  Start of MODEL    7
 4525   HD11  LEU  18          HD13      LEU  18   3.640   7.453  -9.284
  Start of MODEL    7
 4526   HD21  LEU  18          HD21      LEU  18   2.423   5.099  -8.332
  Start of MODEL    7
 4527   HD23  LEU  18          HD22      LEU  18   2.541   6.325  -7.071
  Start of MODEL    7
 4528   HD22  LEU  18          HD23      LEU  18   3.150   4.697  -6.776
  Start of MODEL    7
 4529    H    TYR  19           H        TYR  19   6.399   4.098 -11.952
  Start of MODEL    7
 4530    HA   TYR  19           HA       TYR  19   6.709   1.303 -11.257
  Start of MODEL    7
 4531    HB3  TYR  19           HB2      TYR  19   6.668   2.475 -14.043
  Start of MODEL    7
 4532    HB2  TYR  19           HB3      TYR  19   5.203   2.211 -13.112
  Start of MODEL    7
 4533    HD1  TYR  19           HD1      TYR  19   4.078   0.148 -13.300
  Start of MODEL    7
 4534    HD2  TYR  19           HD2      TYR  19   8.209   0.406 -14.344
  Start of MODEL    7
 4535    HE1  TYR  19           HE1      TYR  19   4.023  -2.171 -14.116
  Start of MODEL    7
 4536    HE2  TYR  19           HE2      TYR  19   8.159  -1.910 -15.155
  Start of MODEL    7
 4537    HH   TYR  19           HH       TYR  19   6.275  -4.078 -14.426
  Start of MODEL    7
 4538    H    GLU  20           H        GLU  20   8.451   3.334 -13.637
  Start of MODEL    7
 4539    HA   GLU  20           HA       GLU  20  10.721   1.623 -13.671
  Start of MODEL    7
 4540    HB2  GLU  20           HB2      GLU  20  10.695   4.516 -14.520
  Start of MODEL    7
 4541    HB3  GLU  20           HB3      GLU  20  11.739   3.231 -15.117
  Start of MODEL    7
 4542    HG3  GLU  20           HG2      GLU  20   8.791   3.567 -15.602
  Start of MODEL    7
 4543    HG2  GLU  20           HG3      GLU  20   9.704   2.128 -16.059
  Start of MODEL    7
 4544    H    PHE  21           H        PHE  21   9.870   4.384 -11.772
  Start of MODEL    7
 4545    HA   PHE  21           HA       PHE  21  12.426   5.115 -10.810
  Start of MODEL    7
 4546    HB2  PHE  21           HB2      PHE  21  10.132   6.374 -10.757
  Start of MODEL    7
 4547    HB3  PHE  21           HB3      PHE  21   9.875   5.499  -9.258
  Start of MODEL    7
 4548    HD1  PHE  21           HD1      PHE  21  12.148   5.590  -7.731
  Start of MODEL    7
 4549    HD2  PHE  21           HD2      PHE  21  10.757   8.519 -10.469
  Start of MODEL    7
 4550    HE1  PHE  21           HE1      PHE  21  13.413   7.329  -6.511
  Start of MODEL    7
 4551    HE2  PHE  21           HE2      PHE  21  12.016  10.262  -9.272
  Start of MODEL    7
 4552    HZ   PHE  21           HZ       PHE  21  13.347   9.666  -7.287
  Start of MODEL    7
 4553    H    LEU  22           H        LEU  22   9.795   3.318  -9.383
  Start of MODEL    7
 4554    HA   LEU  22           HA       LEU  22  11.335   2.603  -7.072
  Start of MODEL    7
 4555    HB3  LEU  22           HB2      LEU  22   8.684   2.728  -7.523
  Start of MODEL    7
 4556    HB2  LEU  22           HB3      LEU  22   9.432   1.982  -6.129
  Start of MODEL    7
 4557    HG   LEU  22           HG       LEU  22   9.248  -0.227  -7.259
  Start of MODEL    7
 4558   HD12  LEU  22          HD11      LEU  22   6.615  -0.133  -7.197
  Start of MODEL    7
 4559   HD11  LEU  22          HD12      LEU  22   6.909   1.477  -6.542
  Start of MODEL    7
 4560   HD13  LEU  22          HD13      LEU  22   7.566   0.059  -5.724
  Start of MODEL    7
 4561   HD21  LEU  22          HD21      LEU  22   8.675   1.374  -9.509
  Start of MODEL    7
 4562   HD23  LEU  22          HD22      LEU  22   7.213   0.455  -9.139
  Start of MODEL    7
 4563   HD22  LEU  22          HD23      LEU  22   8.737  -0.386  -9.409
  Start of MODEL    7
 4564    H    ASP  23           H        ASP  23  10.427   0.761  -9.997
  Start of MODEL    7
 4565    HA   ASP  23           HA       ASP  23  11.725  -1.609  -9.079
  Start of MODEL    7
 4566    HB2  ASP  23           HB2      ASP  23   9.800  -1.185 -10.882
  Start of MODEL    7
 4567    HB3  ASP  23           HB3      ASP  23  11.179  -1.226 -11.977
  Start of MODEL    7
 4568    H    LYS  24           H        LYS  24  12.650   0.825 -11.558
  Start of MODEL    7
 4569    HA   LYS  24           HA       LYS  24  15.155  -0.590 -11.932
  Start of MODEL    7
 4570    HB2  LYS  24           HB2      LYS  24  13.712   1.515 -13.485
  Start of MODEL    7
 4571    HB3  LYS  24           HB3      LYS  24  15.418   1.216 -13.782
  Start of MODEL    7
 4572    HG2  LYS  24           HG2      LYS  24  14.575  -0.212 -15.311
  Start of MODEL    7
 4573    HG3  LYS  24           HG3      LYS  24  14.535  -1.299 -13.923
  Start of MODEL    7
 4574    HD2  LYS  24           HD2      LYS  24  12.158  -0.493 -13.532
  Start of MODEL    7
 4575    HD3  LYS  24           HD3      LYS  24  12.255   0.270 -15.119
  Start of MODEL    7
 4576    HE2  LYS  24           HE2      LYS  24  12.833  -2.652 -14.698
  Start of MODEL    7
 4577    HE3  LYS  24           HE3      LYS  24  11.208  -2.046 -15.010
  Start of MODEL    7
 4578    HZ1  LYS  24           HZ1      LYS  24  13.564  -1.741 -16.794
  Start of MODEL    7
 4579    HZ3  LYS  24           HZ2      LYS  24  12.037  -1.074 -17.087
  Start of MODEL    7
 4580    HZ2  LYS  24           HZ3      LYS  24  12.233  -2.754 -17.052
  Start of MODEL    7
 4581    H    GLU  25           H        GLU  25  14.116   2.582 -10.685
  Start of MODEL    7
 4582    HA   GLU  25           HA       GLU  25  16.694   3.721 -10.735
  Start of MODEL    7
 4583    HB3  GLU  25           HB2      GLU  25  14.810   4.619  -8.619
  Start of MODEL    7
 4584    HB2  GLU  25           HB3      GLU  25  14.279   4.762 -10.286
  Start of MODEL    7
 4585    HG2  GLU  25           HG2      GLU  25  15.474   6.745  -9.157
  Start of MODEL    7
 4586    HG3  GLU  25           HG3      GLU  25  16.944   5.818  -9.448
  Start of MODEL    7
 4587    H    MET  26           H        MET  26  14.984   2.909  -7.687
  Start of MODEL    7
 4588    HA   MET  26           HA       MET  26  16.881   1.161  -6.636
  Start of MODEL    7
 4589    HB2  MET  26           HB2      MET  26  17.777   3.894  -6.616
  Start of MODEL    7
 4590    HB3  MET  26           HB3      MET  26  17.521   3.367  -4.960
  Start of MODEL    7
 4591    HG2  MET  26           HG2      MET  26  19.056   1.578  -5.193
  Start of MODEL    7
 4592    HG3  MET  26           HG3      MET  26  19.154   1.803  -6.938
  Start of MODEL    7
 4593    HE2  MET  26           HE1      MET  26  22.745   2.804  -5.732
  Start of MODEL    7
 4594    HE1  MET  26           HE2      MET  26  21.806   1.768  -6.807
  Start of MODEL    7
 4595    HE3  MET  26           HE3      MET  26  21.719   1.537  -5.060
  Start of MODEL    7
 4596    HA   PRO  27           HA       PRO  27  12.727   1.039  -4.622
  Start of MODEL    7
 4597    HB2  PRO  27           HB2      PRO  27  14.439  -1.084  -3.360
  Start of MODEL    7
 4598    HB3  PRO  27           HB3      PRO  27  12.713  -1.130  -3.771
  Start of MODEL    7
 4599    HG3  PRO  27           HG2      PRO  27  13.126  -1.403  -6.032
  Start of MODEL    7
 4600    HG2  PRO  27           HG3      PRO  27  14.549  -2.232  -5.379
  Start of MODEL    7
 4601    HD3  PRO  27           HD2      PRO  27  14.609  -0.034  -7.093
  Start of MODEL    7
 4602    HD2  PRO  27           HD3      PRO  27  15.952  -0.580  -6.070
  Start of MODEL    7
 4603    H    ASP  28           H        ASP  28  15.854   0.907  -2.856
  Start of MODEL    7
 4604    HA   ASP  28           HA       ASP  28  14.562   1.935  -0.455
  Start of MODEL    7
 4605    HB3  ASP  28           HB2      ASP  28  16.810   1.686   0.579
  Start of MODEL    7
 4606    HB2  ASP  28           HB3      ASP  28  17.448   1.182  -0.983
  Start of MODEL    7
 4607    H    SER  29           H        SER  29  16.882   3.073  -2.883
  Start of MODEL    7
 4608    HA   SER  29           HA       SER  29  17.155   5.628  -1.520
  Start of MODEL    7
 4609    HB3  SER  29           HB2      SER  29  18.304   5.618  -4.161
  Start of MODEL    7
 4610    HB2  SER  29           HB3      SER  29  18.773   4.157  -3.291
  Start of MODEL    7
 4611    HG   SER  29           HG       SER  29  19.332   6.836  -2.720
  Start of MODEL    7
 4612    H    ASP  30           H        ASP  30  14.513   4.983  -2.356
  Start of MODEL    7
 4613    HA   ASP  30           HA       ASP  30  14.065   7.068  -4.385
  Start of MODEL    7
 4614    HB2  ASP  30           HB2      ASP  30  12.568   4.474  -3.993
  Start of MODEL    7
 4615    HB3  ASP  30           HB3      ASP  30  11.980   5.794  -4.998
  Start of MODEL    7
 4616    H    ALA  31           H        ALA  31  13.114   5.717  -1.281
  Start of MODEL    7
 4617    HA   ALA  31           HA       ALA  31  10.659   6.935  -0.890
  Start of MODEL    7
 4618    HB1  ALA  31           HB1      ALA  31  12.770   5.870   0.828
  Start of MODEL    7
 4619    HB3  ALA  31           HB2      ALA  31  11.023   5.638   0.886
  Start of MODEL    7
 4620    HB2  ALA  31           HB3      ALA  31  11.745   7.081   1.598
  Start of MODEL    7
 4621    H    VAL  32           H        VAL  32  13.888   8.367  -0.401
  Start of MODEL    7
 4622    HA   VAL  32           HA       VAL  32  12.854  10.813   0.640
  Start of MODEL    7
 4623    HB   VAL  32           HB       VAL  32  15.592  10.371  -0.501
  Start of MODEL    7
 4624    H    LYS  33           H        LYS  33  13.492   9.636  -2.578
  Start of MODEL    7
 4625    HA   LYS  33           HA       LYS  33  13.236  12.319  -3.702
  Start of MODEL    7
 4626    HB2  LYS  33           HB2      LYS  33  13.567   9.691  -5.163
  Start of MODEL    7
 4627    HB3  LYS  33           HB3      LYS  33  13.786  11.307  -5.821
  Start of MODEL    7
 4628    HG3  LYS  33           HG2      LYS  33  15.894  10.044  -5.342
  Start of MODEL    7
 4629    HG2  LYS  33           HG3      LYS  33  15.499  10.158  -3.625
  Start of MODEL    7
 4630    HD2  LYS  33           HD2      LYS  33  15.846  12.514  -5.484
  Start of MODEL    7
 4631    HD3  LYS  33           HD3      LYS  33  15.550  12.584  -3.746
  Start of MODEL    7
 4632    HE2  LYS  33           HE2      LYS  33  17.679  11.449  -3.337
  Start of MODEL    7
 4633    HE3  LYS  33           HE3      LYS  33  17.975  11.376  -5.074
  Start of MODEL    7
 4634    HZ1  LYS  33           HZ1      LYS  33  17.708  13.862  -3.470
  Start of MODEL    7
 4635    HZ3  LYS  33           HZ2      LYS  33  17.993  13.792  -5.136
  Start of MODEL    7
 4636    HZ2  LYS  33           HZ3      LYS  33  19.158  13.214  -4.055
  Start of MODEL    7
 4637    H    PHE  34           H        PHE  34  11.389   9.632  -2.816
  Start of MODEL    7
 4638    HA   PHE  34           HA       PHE  34   9.291   9.834  -4.736
  Start of MODEL    7
 4639    HB3  PHE  34           HB2      PHE  34   8.103   8.491  -2.751
  Start of MODEL    7
 4640    HB2  PHE  34           HB3      PHE  34   9.764   8.323  -2.200
  Start of MODEL    7
 4641    HD1  PHE  34           HD1      PHE  34   9.321   8.429  -5.802
  Start of MODEL    7
 4642    HD2  PHE  34           HD2      PHE  34   9.352   5.890  -2.380
  Start of MODEL    7
 4643    HE1  PHE  34           HE1      PHE  34   9.541   6.476  -7.257
  Start of MODEL    7
 4644    HE2  PHE  34           HE2      PHE  34   9.563   3.930  -3.838
  Start of MODEL    7
 4645    HZ   PHE  34           HZ       PHE  34   9.666   4.221  -6.282
  Start of MODEL    7
 4646    H    GLU  35           H        GLU  35  10.150  11.977  -2.333
  Start of MODEL    7
 4647    HA   GLU  35           HA       GLU  35   7.352  12.600  -1.650
  Start of MODEL    7
 4648    HB2  GLU  35           HB2      GLU  35   9.994  13.523  -0.497
  Start of MODEL    7
 4649    HB3  GLU  35           HB3      GLU  35   8.461  14.265  -0.058
  Start of MODEL    7
 4650    HG3  GLU  35           HG2      GLU  35   9.190  11.372   0.333
  Start of MODEL    7
 4651    HG2  GLU  35           HG3      GLU  35   7.654  12.118   0.772
  Start of MODEL    7
 4652    H    HIS  36           H        HIS  36   9.729  13.544  -3.873
  Start of MODEL    7
 4653    HA   HIS  36           HA       HIS  36   8.880  16.325  -4.045
  Start of MODEL    7
 4654    HB3  HIS  36           HB2      HIS  36  10.624  16.634  -5.621
  Start of MODEL    7
 4655    HB2  HIS  36           HB3      HIS  36  10.711  14.912  -5.981
  Start of MODEL    7
 4656    HD1  HIS  36           HD1      HIS  36  11.273  17.072  -2.884
  Start of MODEL    7
 4657    HD2  HIS  36           HD2      HIS  36  12.819  13.769  -4.872
  Start of MODEL    7
 4658    HE1  HIS  36           HE1      HIS  36  13.295  16.380  -1.555
  Start of MODEL    7
 4659    HE2  HIS  36           HE2      HIS  36  14.274  14.439  -2.832
  Start of MODEL    7
 4660    H    HIS  37           H        HIS  37   8.973  13.519  -6.235
  Start of MODEL    7
 4661    HA   HIS  37           HA       HIS  37   7.337  14.736  -8.231
  Start of MODEL    7
 4662    HB2  HIS  37           HB2      HIS  37   7.741  11.769  -7.980
  Start of MODEL    7
 4663    HB3  HIS  37           HB3      HIS  37   7.570  12.740  -9.440
  Start of MODEL    7
 4664    HD1  HIS  37           HD1      HIS  37   9.685  14.161 -10.100
  Start of MODEL    7
 4665    HD2  HIS  37           HD2      HIS  37  10.236  11.419  -7.039
  Start of MODEL    7
 4666    HE1  HIS  37           HE1      HIS  37  12.147  13.944  -9.835
  Start of MODEL    7
 4667    HE2  HIS  37           HE2      HIS  37  12.486  12.368  -7.908
  Start of MODEL    7
 4668    H    PHE  38           H        PHE  38   6.777  12.519  -5.577
  Start of MODEL    7
 4669    HA   PHE  38           HA       PHE  38   4.140  11.760  -6.245
  Start of MODEL    7
 4670    HB2  PHE  38           HB2      PHE  38   5.730  11.716  -3.684
  Start of MODEL    7
 4671    HB3  PHE  38           HB3      PHE  38   4.089  11.098  -3.766
  Start of MODEL    7
 4672    HD1  PHE  38           HD1      PHE  38   6.083  10.623  -6.778
  Start of MODEL    7
 4673    HD2  PHE  38           HD2      PHE  38   5.113   8.904  -2.960
  Start of MODEL    7
 4674    HE1  PHE  38           HE1      PHE  38   6.907   8.439  -7.530
  Start of MODEL    7
 4675    HE2  PHE  38           HE2      PHE  38   5.965   6.745  -3.728
  Start of MODEL    7
 4676    HZ   PHE  38           HZ       PHE  38   6.849   6.503  -6.013
  Start of MODEL    7
 4677    H    GLU  39           H        GLU  39   5.446  14.456  -4.379
  Start of MODEL    7
 4678    HA   GLU  39           HA       GLU  39   2.793  15.310  -3.533
  Start of MODEL    7
 4679    HB2  GLU  39           HB2      GLU  39   4.937  15.420  -2.113
  Start of MODEL    7
 4680    HB3  GLU  39           HB3      GLU  39   5.354  16.825  -3.084
  Start of MODEL    7
 4681    HG2  GLU  39           HG2      GLU  39   3.323  17.951  -2.360
  Start of MODEL    7
 4682    HG3  GLU  39           HG3      GLU  39   2.858  16.532  -1.423
  Start of MODEL    7
 4683    H    GLU  40           H        GLU  40   5.156  16.165  -5.985
  Start of MODEL    7
 4684    HA   GLU  40           HA       GLU  40   4.486  18.772  -6.548
  Start of MODEL    7
 4685    HB2  GLU  40           HB2      GLU  40   5.565  18.536  -8.572
  Start of MODEL    7
 4686    HB3  GLU  40           HB3      GLU  40   6.251  17.214  -7.655
  Start of MODEL    7
 4687    HG3  GLU  40           HG2      GLU  40   4.194  17.117  -9.831
  Start of MODEL    7
 4688    HG2  GLU  40           HG3      GLU  40   4.503  15.764  -8.755
  Start of MODEL    7
 4689    H    SER  41           H        SER  41   2.738  15.859  -7.571
  Start of MODEL    7
 4690    HA   SER  41           HA       SER  41   0.479  17.590  -8.295
  Start of MODEL    7
 4691    HB2  SER  41           HB2      SER  41   0.390  15.287  -9.979
  Start of MODEL    7
 4692    HB3  SER  41           HB3      SER  41   0.508  16.982 -10.443
  Start of MODEL    7
 4693    HG   SER  41           HG       SER  41   2.264  15.724 -11.225
  Start of MODEL    7
 4694    H    SER  42           H        SER  42   0.002  16.907  -6.018
  Start of MODEL    7
 4695    HA   SER  42           HA       SER  42  -0.613  14.276  -5.306
  Start of MODEL    7
 4696    HB2  SER  42           HB2      SER  42  -2.008  16.754  -4.270
  Start of MODEL    7
 4697    HB3  SER  42           HB3      SER  42  -1.853  15.202  -3.451
  Start of MODEL    7
 4698    HG   SER  42           HG       SER  42   0.207  15.620  -3.000
  Start of MODEL    7
 4699    HA   PRO  43           HA       PRO  43  -5.217  15.448  -6.754
  Start of MODEL    7
 4700    HB3  PRO  43           HB2      PRO  43  -5.785  17.236  -8.084
  Start of MODEL    7
 4701    HB2  PRO  43           HB3      PRO  43  -4.400  17.006  -9.162
  Start of MODEL    7
 4702    HG3  PRO  43           HG2      PRO  43  -4.496  18.275  -6.447
  Start of MODEL    7
 4703    HG2  PRO  43           HG3      PRO  43  -3.709  18.866  -7.924
  Start of MODEL    7
 4704    HD2  PRO  43           HD2      PRO  43  -1.945  17.359  -7.728
  Start of MODEL    7
 4705    HD3  PRO  43           HD3      PRO  43  -2.298  17.652  -6.014
  Start of MODEL    7
 4706    H    CYS  44           H        CYS  44  -2.422  14.578  -8.673
  Start of MODEL    7
 4707    HA   CYS  44           HA       CYS  44  -4.027  13.058 -10.553
  Start of MODEL    7
 4708    HB2  CYS  44           HB2      CYS  44  -1.071  13.533 -10.217
  Start of MODEL    7
 4709    HB3  CYS  44           HB3      CYS  44  -1.681  12.287 -11.305
  Start of MODEL    7
 4710    H    LEU  45           H        LEU  45  -2.110  12.719  -7.712
  Start of MODEL    7
 4711    HA   LEU  45           HA       LEU  45  -2.200   9.868  -7.645
  Start of MODEL    7
 4712    HB3  LEU  45           HB2      LEU  45  -1.476  11.561  -5.305
  Start of MODEL    7
 4713    HB2  LEU  45           HB3      LEU  45  -0.486  11.705  -6.735
  Start of MODEL    7
 4714    HG   LEU  45           HG       LEU  45  -0.988   9.187  -5.260
  Start of MODEL    7
 4715   HD11  LEU  45          HD11      LEU  45   1.071  11.275  -5.039
  Start of MODEL    7
 4716   HD13  LEU  45          HD12      LEU  45   1.656   9.612  -5.034
  Start of MODEL    7
 4717   HD12  LEU  45          HD13      LEU  45   0.484  10.137  -3.829
  Start of MODEL    7
 4718   HD21  LEU  45          HD21      LEU  45   0.687   9.799  -7.663
  Start of MODEL    7
 4719   HD23  LEU  45          HD22      LEU  45  -0.612   8.616  -7.518
  Start of MODEL    7
 4720   HD22  LEU  45          HD23      LEU  45   0.915   8.354  -6.677
  Start of MODEL    7
 4721    H    GLU  46           H        GLU  46  -4.437  12.305  -7.113
  Start of MODEL    7
 4722    HA   GLU  46           HA       GLU  46  -5.843  10.808  -4.996
  Start of MODEL    7
 4723    HB3  GLU  46           HB2      GLU  46  -7.078  12.928  -4.599
  Start of MODEL    7
 4724    HB2  GLU  46           HB3      GLU  46  -6.054  13.703  -5.800
  Start of MODEL    7
 4725    HG3  GLU  46           HG2      GLU  46  -4.446  14.018  -4.319
  Start of MODEL    7
 4726    HG2  GLU  46           HG3      GLU  46  -4.442  12.304  -3.897
  Start of MODEL    7
 4727    H    LYS  47           H        LYS  47  -5.759  10.381  -7.827
  Start of MODEL    7
 4728    HA   LYS  47           HA       LYS  47  -8.575  10.737  -8.644
  Start of MODEL    7
 4729    HB3  LYS  47           HB2      LYS  47  -7.851   9.607 -10.807
  Start of MODEL    7
 4730    HB2  LYS  47           HB3      LYS  47  -6.202   9.799 -10.230
  Start of MODEL    7
 4731    HG2  LYS  47           HG2      LYS  47  -7.965  11.709 -11.482
  Start of MODEL    7
 4732    HG3  LYS  47           HG3      LYS  47  -7.317  12.319  -9.955
  Start of MODEL    7
 4733    HD3  LYS  47           HD2      LYS  47  -5.080  11.438 -10.786
  Start of MODEL    7
 4734    HD2  LYS  47           HD3      LYS  47  -5.703  12.929 -11.506
  Start of MODEL    7
 4735    HE2  LYS  47           HE2      LYS  47  -4.739  11.127 -13.080
  Start of MODEL    7
 4736    HE3  LYS  47           HE3      LYS  47  -6.232  10.252 -12.759
  Start of MODEL    7
 4737    HZ2  LYS  47           HZ1      LYS  47  -6.243  11.695 -14.785
  Start of MODEL    7
 4738    HZ1  LYS  47           HZ2      LYS  47  -6.188  13.041 -13.763
  Start of MODEL    7
 4739    HZ3  LYS  47           HZ3      LYS  47  -7.507  11.985 -13.698
  Start of MODEL    7
 4740    H    TYR  48           H        TYR  48  -6.119   8.212  -8.392
  Start of MODEL    7
 4741    HA   TYR  48           HA       TYR  48  -8.194   6.145  -8.358
  Start of MODEL    7
 4742    HB2  TYR  48           HB2      TYR  48  -5.196   5.786  -8.493
  Start of MODEL    7
 4743    HB3  TYR  48           HB3      TYR  48  -6.435   4.592  -8.876
  Start of MODEL    7
 4744    HD1  TYR  48           HD1      TYR  48  -4.679   7.595 -10.041
  Start of MODEL    7
 4745    HD2  TYR  48           HD2      TYR  48  -7.651   4.700 -10.995
  Start of MODEL    7
 4746    HE1  TYR  48           HE1      TYR  48  -4.668   8.365 -12.375
  Start of MODEL    7
 4747    HE2  TYR  48           HE2      TYR  48  -7.644   5.457 -13.334
  Start of MODEL    7
 4748    HH   TYR  48           HH       TYR  48  -5.504   6.880 -14.806
  Start of MODEL    7
 4749    H    GLY  49           H        GLY  49  -5.789   7.613  -6.269
  Start of MODEL    7
 4750    HA3  GLY  49           HA2      GLY  49  -6.737   5.893  -4.088
  Start of MODEL    7
 4751    HA2  GLY  49           HA3      GLY  49  -6.114   7.524  -3.885
  Start of MODEL    7
 4752    H    LEU  50           H        LEU  50  -3.835   7.401  -5.416
  Start of MODEL    7
 4753    HA   LEU  50           HA       LEU  50  -2.232   5.152  -4.525
  Start of MODEL    7
 4754    HB3  LEU  50           HB2      LEU  50  -0.683   7.164  -5.809
  Start of MODEL    7
 4755    HB2  LEU  50           HB3      LEU  50  -2.186   7.008  -6.688
  Start of MODEL    7
 4756    HG   LEU  50           HG       LEU  50  -0.101   4.886  -6.213
  Start of MODEL    7
 4757   HD12  LEU  50          HD11      LEU  50   0.040   4.879  -8.630
  Start of MODEL    7
 4758   HD11  LEU  50          HD12      LEU  50   0.337   6.495  -7.984
  Start of MODEL    7
 4759   HD13  LEU  50          HD13      LEU  50  -1.222   6.110  -8.719
  Start of MODEL    7
 4760   HD21  LEU  50          HD21      LEU  50  -2.830   4.557  -7.459
  Start of MODEL    7
 4761   HD23  LEU  50          HD22      LEU  50  -2.278   3.822  -5.957
  Start of MODEL    7
 4762   HD22  LEU  50          HD23      LEU  50  -1.541   3.352  -7.487
  Start of MODEL    7
 4763    H    GLU  51           H        GLU  51  -2.770   8.490  -3.657
  Start of MODEL    7
 4764    HA   GLU  51           HA       GLU  51  -0.378   9.178  -2.430
  Start of MODEL    7
 4765    HB3  GLU  51           HB2      GLU  51  -2.081  10.396  -0.755
  Start of MODEL    7
 4766    HB2  GLU  51           HB3      GLU  51  -3.224   9.954  -2.016
  Start of MODEL    7
 4767    HG3  GLU  51           HG2      GLU  51  -2.361  11.415  -3.511
  Start of MODEL    7
 4768    HG2  GLU  51           HG3      GLU  51  -0.722  11.274  -2.880
  Start of MODEL    7
 4769    H    GLN  52           H        GLN  52  -3.194   7.869  -0.794
  Start of MODEL    7
 4770    HA   GLN  52           HA       GLN  52  -2.211   7.480   1.727
  Start of MODEL    7
 4771    HB2  GLN  52           HB2      GLN  52  -3.949   5.315   0.625
  Start of MODEL    7
 4772    HB3  GLN  52           HB3      GLN  52  -4.032   6.126   2.180
  Start of MODEL    7
 4773    HG2  GLN  52           HG2      GLN  52  -4.565   8.107   0.305
  Start of MODEL    7
 4774    HG3  GLN  52           HG3      GLN  52  -5.421   6.687  -0.279
  Start of MODEL    7
 4775   HE22  GLN  52          HE21      GLN  52  -6.520   8.457   3.241
  Start of MODEL    7
 4776   HE21  GLN  52          HE22      GLN  52  -4.948   8.719   2.577
  Start of MODEL    7
 4777    H    ALA  53           H        ALA  53  -1.662   5.419  -1.074
  Start of MODEL    7
 4778    HA   ALA  53           HA       ALA  53  -0.317   3.468   0.622
  Start of MODEL    7
 4779    HB1  ALA  53           HB1      ALA  53  -0.706   3.410  -2.349
  Start of MODEL    7
 4780    HB3  ALA  53           HB2      ALA  53  -1.704   2.597  -1.148
  Start of MODEL    7
 4781    HB2  ALA  53           HB3      ALA  53  -0.019   2.112  -1.369
  Start of MODEL    7
 4782    H    VAL  54           H        VAL  54   0.644   5.663  -2.060
  Start of MODEL    7
 4783    HA   VAL  54           HA       VAL  54   3.349   4.914  -2.070
  Start of MODEL    7
 4784    HB   VAL  54           HB       VAL  54   3.851   7.145  -3.047
  Start of MODEL    7
 4785    H    LYS  55           H        LYS  55   1.588   6.965   0.150
  Start of MODEL    7
 4786    HA   LYS  55           HA       LYS  55   3.709   8.304   1.412
  Start of MODEL    7
 4787    HB3  LYS  55           HB2      LYS  55   2.321   8.256   3.469
  Start of MODEL    7
 4788    HB2  LYS  55           HB3      LYS  55   1.283   7.043   2.739
  Start of MODEL    7
 4789    HG3  LYS  55           HG2      LYS  55   0.679   9.632   2.813
  Start of MODEL    7
 4790    HG2  LYS  55           HG3      LYS  55   0.123   8.547   1.538
  Start of MODEL    7
 4791    HD3  LYS  55           HD2      LYS  55   1.851   9.308   0.055
  Start of MODEL    7
 4792    HD2  LYS  55           HD3      LYS  55   2.635  10.219   1.349
  Start of MODEL    7
 4793    HE3  LYS  55           HE2      LYS  55  -0.185  10.808   0.506
  Start of MODEL    7
 4794    HE2  LYS  55           HE3      LYS  55   1.192  11.504  -0.346
  Start of MODEL    7
 4795    HZ3  LYS  55           HZ1      LYS  55   0.560  11.838   2.537
  Start of MODEL    7
 4796    HZ2  LYS  55           HZ2      LYS  55   0.416  13.017   1.333
  Start of MODEL    7
 4797    HZ1  LYS  55           HZ3      LYS  55   1.945  12.445   1.776
  Start of MODEL    7
 4798    H    LYS  56           H        LYS  56   2.476   5.076   1.645
  Start of MODEL    7
 4799    HA   LYS  56           HA       LYS  56   4.055   4.093   3.737
  Start of MODEL    7
 4800    HB3  LYS  56           HB2      LYS  56   3.348   1.917   3.157
  Start of MODEL    7
 4801    HB2  LYS  56           HB3      LYS  56   2.983   2.422   1.516
  Start of MODEL    7
 4802    HG3  LYS  56           HG2      LYS  56   0.959   2.167   2.899
  Start of MODEL    7
 4803    HG2  LYS  56           HG3      LYS  56   1.200   3.803   2.289
  Start of MODEL    7
 4804    HD3  LYS  56           HD2      LYS  56   2.350   4.288   4.501
  Start of MODEL    7
 4805    HD2  LYS  56           HD3      LYS  56   1.572   2.811   5.077
  Start of MODEL    7
 4806    HE2  LYS  56           HE2      LYS  56   0.222   4.746   5.640
  Start of MODEL    7
 4807    HE3  LYS  56           HE3      LYS  56   0.213   5.264   3.953
  Start of MODEL    7
 4808    HZ3  LYS  56           HZ1      LYS  56  -1.122   3.427   3.354
  Start of MODEL    7
 4809    HZ2  LYS  56           HZ2      LYS  56  -1.832   4.073   4.746
  Start of MODEL    7
 4810    HZ1  LYS  56           HZ3      LYS  56  -0.904   2.663   4.848
  Start of MODEL    7
 4811    H    LEU  57           H        LEU  57   4.565   4.216   0.234
  Start of MODEL    7
 4812    HA   LEU  57           HA       LEU  57   6.963   2.726   0.151
  Start of MODEL    7
 4813    HB2  LEU  57           HB2      LEU  57   6.101   4.978  -1.656
  Start of MODEL    7
 4814    HB3  LEU  57           HB3      LEU  57   7.362   3.822  -1.994
  Start of MODEL    7
 4815    HG   LEU  57           HG       LEU  57   4.454   3.549  -2.249
  Start of MODEL    7
 4816   HD11  LEU  57          HD11      LEU  57   6.678   3.406  -3.896
  Start of MODEL    7
 4817   HD13  LEU  57          HD12      LEU  57   5.028   2.955  -4.318
  Start of MODEL    7
 4818   HD12  LEU  57          HD13      LEU  57   6.154   1.722  -3.734
  Start of MODEL    7
 4819   HD21  LEU  57          HD21      LEU  57   6.155   1.282  -1.246
  Start of MODEL    7
 4820   HD23  LEU  57          HD22      LEU  57   4.604   1.061  -2.054
  Start of MODEL    7
 4821   HD22  LEU  57          HD23      LEU  57   4.682   1.931  -0.525
  Start of MODEL    7
 4822    H    VAL  58           H        VAL  58   6.216   6.125   0.543
  Start of MODEL    7
 4823    HA   VAL  58           HA       VAL  58   8.867   7.104   0.548
  Start of MODEL    7
 4824    HB   VAL  58           HB       VAL  58   6.335   8.209   1.779
  Start of MODEL    7
 4825    H    LYS  59           H        LYS  59   6.785   5.826   3.059
  Start of MODEL    7
 4826    HA   LYS  59           HA       LYS  59   8.129   6.465   5.382
  Start of MODEL    7
 4827    HB3  LYS  59           HB2      LYS  59   6.755   3.856   4.777
  Start of MODEL    7
 4828    HB2  LYS  59           HB3      LYS  59   5.884   5.360   5.015
  Start of MODEL    7
 4829    HG3  LYS  59           HG2      LYS  59   7.102   5.446   7.279
  Start of MODEL    7
 4830    HG2  LYS  59           HG3      LYS  59   7.411   3.729   6.983
  Start of MODEL    7
 4831    HD3  LYS  59           HD2      LYS  59   4.668   4.748   6.521
  Start of MODEL    7
 4832    HD2  LYS  59           HD3      LYS  59   5.195   4.590   8.204
  Start of MODEL    7
 4833    HE3  LYS  59           HE2      LYS  59   5.762   2.231   7.789
  Start of MODEL    7
 4834    HE2  LYS  59           HE3      LYS  59   5.206   2.398   6.118
  Start of MODEL    7
 4835    HZ3  LYS  59           HZ1      LYS  59   3.525   2.727   8.549
  Start of MODEL    7
 4836    HZ2  LYS  59           HZ2      LYS  59   3.514   1.392   7.511
  Start of MODEL    7
 4837    HZ1  LYS  59           HZ3      LYS  59   2.990   2.899   6.953
  Start of MODEL    7
 4838    H    ARG  60           H        ARG  60   8.689   3.863   3.087
  Start of MODEL    7
 4839    HA   ARG  60           HA       ARG  60  10.298   2.107   4.346
  Start of MODEL    7
 4840    HB2  ARG  60           HB2      ARG  60  10.635   3.238   1.598
  Start of MODEL    7
 4841    HB3  ARG  60           HB3      ARG  60  11.537   1.855   2.173
  Start of MODEL    7
 4842    HG3  ARG  60           HG2      ARG  60   8.529   1.950   2.080
  Start of MODEL    7
 4843    HG2  ARG  60           HG3      ARG  60   9.559   0.541   2.353
  Start of MODEL    7
 4844    HD2  ARG  60           HD2      ARG  60   8.923   1.977  -0.163
  Start of MODEL    7
 4845    HD3  ARG  60           HD3      ARG  60  10.545   1.311   0.007
  Start of MODEL    7
 4846    HE   ARG  60           HE       ARG  60   8.638  -0.650   0.691
  Start of MODEL    7
 4847   HH12  ARG  60          HH11      ARG  60   9.568  -0.264  -3.195
  Start of MODEL    7
 4848   HH11  ARG  60          HH12      ARG  60   9.897   1.040  -2.106
  Start of MODEL    7
 4849   HH22  ARG  60          HH21      ARG  60   8.613  -2.194  -2.429
  Start of MODEL    7
 4850   HH21  ARG  60          HH22      ARG  60   8.212  -2.366  -0.754
  Start of MODEL    7
 4851    H    ALA  61           H        ALA  61  11.773   4.719   2.454
  Start of MODEL    7
 4852    HA   ALA  61           HA       ALA  61  13.917   5.541   2.526
  Start of MODEL    7
 4853    HB1  ALA  61           HB1      ALA  61  12.680   6.243   5.172
  Start of MODEL    7
 4854    HB3  ALA  61           HB2      ALA  61  12.780   7.218   3.706
  Start of MODEL    7
 4855    HB2  ALA  61           HB3      ALA  61  14.234   6.900   4.653
  Start of MODEL    7
 4856    H    ALA  62           H        ALA  62  14.115   4.965   5.986
  Start of MODEL    7
 4857    HA   ALA  62           HA       ALA  62  15.838   2.666   5.680
  Start of MODEL    7
 4858    HB2  ALA  62           HB1      ALA  62  17.764   3.697   6.778
  Start of MODEL    7
 4859    HB1  ALA  62           HB2      ALA  62  16.926   5.249   6.795
  Start of MODEL    7
 4860    HB3  ALA  62           HB3      ALA  62  17.382   4.510   5.260
  Start of MODEL    7
 4861    H    GLY  63           H        GLY  63  15.553   1.319   7.357
  Start of MODEL    7
 4862    HA3  GLY  63           HA2      GLY  63  14.825   2.424   9.986
  Start of MODEL    7
 4863    HA2  GLY  63           HA3      GLY  63  15.434   0.800   9.679
  Start of MODEL    7
 4864    H    GLN  64           H        GLN  64  12.828   2.391   7.908
  Start of MODEL    7
 4865    HA   GLN  64           HA       GLN  64  10.739   1.000   9.314
  Start of MODEL    7
 4866    HB2  GLN  64           HB2      GLN  64  10.786   2.807   6.903
  Start of MODEL    7
 4867    HB3  GLN  64           HB3      GLN  64   9.311   2.028   7.451
  Start of MODEL    7
 4868    HG2  GLN  64           HG2      GLN  64   9.187   4.116   8.417
  Start of MODEL    7
 4869    HG3  GLN  64           HG3      GLN  64   9.814   3.110   9.722
  Start of MODEL    7
 4870   HE21  GLN  64          HE21      GLN  64  11.795   3.546  10.567
  Start of MODEL    7
 4871   HE22  GLN  64          HE22      GLN  64  12.797   4.856  10.053
  Start of MODEL    7
 4872    H    ASP  65           H        ASP  65   9.022   0.311   7.169
  Start of MODEL    7
 4873    HA   ASP  65           HA       ASP  65   9.541  -2.327   6.727
  Start of MODEL    7
 4874    HB3  ASP  65           HB2      ASP  65   8.167  -1.835   4.486
  Start of MODEL    7
 4875    HB2  ASP  65           HB3      ASP  65   7.920  -0.285   5.281
  Start of MODEL    7
 4876    H    ASP  66           H        ASP  66  11.029   0.367   5.153
  Start of MODEL    7
 4877    HA   ASP  66           HA       ASP  66  12.660   0.588   3.604
  Start of MODEL    7
 4878    HB2  ASP  66           HB2      ASP  66  13.282  -1.770   5.105
  Start of MODEL    7
 4879    HB3  ASP  66           HB3      ASP  66  13.832  -1.976   3.448
  Start of MODEL    7
 4880    H    VAL  67           H        VAL  67  11.800  -2.828   2.947
  Start of MODEL    7
 4881    HA   VAL  67           HA       VAL  67  10.467  -2.205   0.495
  Start of MODEL    7
 4882    HB   VAL  67           HB       VAL  67  12.151  -3.560  -0.911
  Start of MODEL    7
 4883    HA   PRO  68           HA       PRO  68   9.383  -6.213   2.604
  Start of MODEL    7
 4884    HB3  PRO  68           HB2      PRO  68   7.259  -5.908   3.354
  Start of MODEL    7
 4885    HB2  PRO  68           HB3      PRO  68   6.699  -5.311   1.789
  Start of MODEL    7
 4886    HG2  PRO  68           HG2      PRO  68   6.706  -3.319   2.964
  Start of MODEL    7
 4887    HG3  PRO  68           HG3      PRO  68   8.035  -3.836   4.008
  Start of MODEL    7
 4888    HD2  PRO  68           HD2      PRO  68   8.130  -2.769   1.242
  Start of MODEL    7
 4889    HD3  PRO  68           HD3      PRO  68   9.217  -2.460   2.601
  Start of MODEL    7
 4890    H    GLY  69           H        GLY  69   8.876  -4.825  -0.520
  Start of MODEL    7
 4891    HA2  GLY  69           HA2      GLY  69   8.902  -5.932  -2.573
  Start of MODEL    7
 4892    HA3  GLY  69           HA3      GLY  69   8.820  -7.470  -1.719
  Start of MODEL    7
 4893    H    ASP  70           H        ASP  70   6.573  -6.373  -0.071
  Start of MODEL    7
 4894    HA   ASP  70           HA       ASP  70   4.422  -7.165  -1.808
  Start of MODEL    7
 4895    HB2  ASP  70           HB2      ASP  70   4.597  -6.496   1.132
  Start of MODEL    7
 4896    HB3  ASP  70           HB3      ASP  70   3.057  -6.801   0.328
  Start of MODEL    7
 4897    H    LEU  71           H        LEU  71   5.860  -4.149  -0.765
  Start of MODEL    7
 4898    HA   LEU  71           HA       LEU  71   3.396  -2.666  -1.182
  Start of MODEL    7
 4899    HB3  LEU  71           HB2      LEU  71   4.736  -0.637  -0.967
  Start of MODEL    7
 4900    HB2  LEU  71           HB3      LEU  71   6.217  -1.579  -1.013
  Start of MODEL    7
 4901    HG   LEU  71           HG       LEU  71   6.028  -2.228   1.162
  Start of MODEL    7
 4902   HD12  LEU  71          HD11      LEU  71   3.875  -2.415   2.386
  Start of MODEL    7
 4903   HD11  LEU  71          HD12      LEU  71   3.968  -3.450   0.960
  Start of MODEL    7
 4904   HD13  LEU  71          HD13      LEU  71   3.037  -1.951   0.902
  Start of MODEL    7
 4905   HD22  LEU  71          HD21      LEU  71   5.189  -0.369   2.538
  Start of MODEL    7
 4906   HD21  LEU  71          HD22      LEU  71   4.354   0.290   1.127
  Start of MODEL    7
 4907   HD23  LEU  71          HD23      LEU  71   6.118   0.214   1.156
  Start of MODEL    7
 4908    H    ARG  72           H        ARG  72   6.465  -3.165  -2.870
  Start of MODEL    7
 4909    HA   ARG  72           HA       ARG  72   5.917  -1.653  -5.148
  Start of MODEL    7
 4910    HB2  ARG  72           HB2      ARG  72   8.081  -2.911  -4.373
  Start of MODEL    7
 4911    HB3  ARG  72           HB3      ARG  72   7.416  -4.221  -5.325
  Start of MODEL    7
 4912    HG2  ARG  72           HG2      ARG  72   7.232  -1.984  -6.966
  Start of MODEL    7
 4913    HG3  ARG  72           HG3      ARG  72   8.803  -1.854  -6.177
  Start of MODEL    7
 4914    HD2  ARG  72           HD2      ARG  72   7.767  -4.236  -7.719
  Start of MODEL    7
 4915    HD3  ARG  72           HD3      ARG  72   8.974  -3.075  -8.280
  Start of MODEL    7
 4916    HE   ARG  72           HE       ARG  72   9.980  -4.082  -5.930
  Start of MODEL    7
 4917   HH12  ARG  72          HH11      ARG  72  10.118  -6.757  -8.919
  Start of MODEL    7
 4918   HH11  ARG  72          HH12      ARG  72   8.999  -5.439  -9.008
  Start of MODEL    7
 4919   HH22  ARG  72          HH21      ARG  72  11.508  -6.971  -7.114
  Start of MODEL    7
 4920   HH21  ARG  72          HH22      ARG  72  11.448  -5.817  -5.825
  Start of MODEL    7
 4921    H    ALA  73           H        ALA  73   5.639  -5.173  -4.774
  Start of MODEL    7
 4922    HA   ALA  73           HA       ALA  73   4.353  -5.829  -7.105
  Start of MODEL    7
 4923    HB3  ALA  73           HB1      ALA  73   5.102  -7.504  -5.484
  Start of MODEL    7
 4924    HB2  ALA  73           HB2      ALA  73   3.424  -7.781  -5.949
  Start of MODEL    7
 4925    HB1  ALA  73           HB3      ALA  73   3.796  -7.041  -4.392
  Start of MODEL    7
 4926    H    LYS  74           H        LYS  74   3.107  -4.278  -4.313
  Start of MODEL    7
 4927    HA   LYS  74           HA       LYS  74   0.327  -4.415  -5.061
  Start of MODEL    7
 4928    HB3  LYS  74           HB2      LYS  74   1.344  -2.428  -3.102
  Start of MODEL    7
 4929    HB2  LYS  74           HB3      LYS  74   1.407  -4.118  -2.665
  Start of MODEL    7
 4930    HG3  LYS  74           HG2      LYS  74  -1.121  -2.790  -3.597
  Start of MODEL    7
 4931    HG2  LYS  74           HG3      LYS  74  -0.620  -2.795  -1.906
  Start of MODEL    7
 4932    HD2  LYS  74           HD2      LYS  74  -1.203  -5.200  -3.632
  Start of MODEL    7
 4933    HD3  LYS  74           HD3      LYS  74  -0.536  -5.284  -2.001
  Start of MODEL    7
 4934    HE2  LYS  74           HE2      LYS  74  -2.890  -5.651  -1.849
  Start of MODEL    7
 4935    HE3  LYS  74           HE3      LYS  74  -2.549  -4.051  -1.192
  Start of MODEL    7
 4936    HZ2  LYS  74           HZ1      LYS  74  -4.512  -4.158  -2.688
  Start of MODEL    7
 4937    HZ1  LYS  74           HZ2      LYS  74  -3.474  -4.518  -3.973
  Start of MODEL    7
 4938    HZ3  LYS  74           HZ3      LYS  74  -3.344  -3.034  -3.172
  Start of MODEL    7
 4939    H    VAL  75           H        VAL  75   2.962  -2.120  -5.155
  Start of MODEL    7
 4940    HA   VAL  75           HA       VAL  75   1.500   0.083  -6.156
  Start of MODEL    7
 4941    HB   VAL  75           HB       VAL  75   4.457  -0.532  -6.277
  Start of MODEL    7
 4942    H    MET  76           H        MET  76   3.884  -2.021  -7.839
  Start of MODEL    7
 4943    HA   MET  76           HA       MET  76   3.406  -1.118 -10.401
  Start of MODEL    7
 4944    HB2  MET  76           HB2      MET  76   4.154  -3.865  -9.463
  Start of MODEL    7
 4945    HB3  MET  76           HB3      MET  76   4.202  -3.380 -11.145
  Start of MODEL    7
 4946    HG3  MET  76           HG2      MET  76   6.113  -2.952  -9.018
  Start of MODEL    7
 4947    HG2  MET  76           HG3      MET  76   5.654  -1.436  -9.785
  Start of MODEL    7
 4948    HE3  MET  76           HE1      MET  76   7.781  -4.991 -11.765
  Start of MODEL    7
 4949    HE2  MET  76           HE2      MET  76   6.041  -5.112 -11.500
  Start of MODEL    7
 4950    HE1  MET  76           HE3      MET  76   7.131  -4.919 -10.127
  Start of MODEL    7
 4951    H    GLY  77           H        GLY  77   1.844  -3.785  -8.714
  Start of MODEL    7
 4952    HA2  GLY  77           HA2      GLY  77   0.088  -4.571 -10.751
  Start of MODEL    7
 4953    HA3  GLY  77           HA3      GLY  77  -0.154  -4.874  -9.044
  Start of MODEL    7
 4954    H    ARG  78           H        ARG  78  -0.154  -1.932  -8.421
  Start of MODEL    7
 4955    HA   ARG  78           HA       ARG  78  -2.941  -1.484  -8.918
  Start of MODEL    7
 4956    HB2  ARG  78           HB2      ARG  78  -0.801  -0.143  -7.369
  Start of MODEL    7
 4957    HB3  ARG  78           HB3      ARG  78  -2.190   0.821  -7.817
  Start of MODEL    7
 4958    HG3  ARG  78           HG2      ARG  78  -2.222  -0.293  -5.535
  Start of MODEL    7
 4959    HG2  ARG  78           HG3      ARG  78  -2.456  -1.811  -6.400
  Start of MODEL    7
 4960    HD3  ARG  78           HD2      ARG  78  -4.620  -1.396  -6.559
  Start of MODEL    7
 4961    HD2  ARG  78           HD3      ARG  78  -4.286   0.077  -7.464
  Start of MODEL    7
 4962    HE   ARG  78           HE       ARG  78  -4.767  -0.133  -4.579
  Start of MODEL    7
 4963   HH11  ARG  78          HH11      ARG  78  -4.210   1.908  -7.380
  Start of MODEL    7
 4964   HH12  ARG  78          HH12      ARG  78  -4.708   3.353  -6.569
  Start of MODEL    7
 4965   HH22  ARG  78          HH21      ARG  78  -5.387   3.280  -4.390
  Start of MODEL    7
 4966   HH21  ARG  78          HH22      ARG  78  -5.412   1.776  -3.530
  Start of MODEL    7
 4967    H    LEU  79           H        LEU  79   0.188  -0.128  -9.964
  Start of MODEL    7
 4968    HA   LEU  79           HA       LEU  79  -0.927   1.945 -11.544
  Start of MODEL    7
 4969    HB3  LEU  79           HB2      LEU  79   1.687   0.457 -11.734
  Start of MODEL    7
 4970    HB2  LEU  79           HB3      LEU  79   1.412   2.095 -11.173
  Start of MODEL    7
 4971    HG   LEU  79           HG       LEU  79   1.388   1.073 -14.011
  Start of MODEL    7
 4972   HD13  LEU  79          HD11      LEU  79   2.812   3.530 -13.399
  Start of MODEL    7
 4973   HD12  LEU  79          HD12      LEU  79   3.354   2.075 -14.234
  Start of MODEL    7
 4974   HD11  LEU  79          HD13      LEU  79   3.390   2.146 -12.471
  Start of MODEL    7
 4975   HD23  LEU  79          HD21      LEU  79  -0.394   2.470 -14.252
  Start of MODEL    7
 4976   HD22  LEU  79          HD22      LEU  79   0.907   3.645 -14.420
  Start of MODEL    7
 4977   HD21  LEU  79          HD23      LEU  79   0.063   3.478 -12.882
  Start of MODEL    7
 4978    H    ASP  80           H        ASP  80   0.276  -1.290 -12.427
  Start of MODEL    7
 4979    HA   ASP  80           HA       ASP  80  -0.522  -1.419 -15.032
  Start of MODEL    7
 4980    HB3  ASP  80           HB2      ASP  80  -0.644  -3.635 -12.942
  Start of MODEL    7
 4981    HB2  ASP  80           HB3      ASP  80   0.768  -3.185 -13.901
  Start of MODEL    7
 4982    H    LEU  81           H        LEU  81  -2.482  -1.597 -12.109
  Start of MODEL    7
 4983    HA   LEU  81           HA       LEU  81  -4.887  -2.454 -13.401
  Start of MODEL    7
 4984    HB2  LEU  81           HB2      LEU  81  -4.023  -2.593 -10.901
  Start of MODEL    7
 4985    HB3  LEU  81           HB3      LEU  81  -4.776  -1.025 -10.788
  Start of MODEL    7
 4986    HG   LEU  81           HG       LEU  81  -6.110  -3.590 -11.488
  Start of MODEL    7
 4987   HD11  LEU  81          HD11      LEU  81  -5.626  -2.114  -9.039
  Start of MODEL    7
 4988   HD13  LEU  81          HD12      LEU  81  -6.171  -3.778  -9.263
  Start of MODEL    7
 4989   HD12  LEU  81          HD13      LEU  81  -7.338  -2.455  -9.300
  Start of MODEL    7
 4990   HD21  LEU  81          HD21      LEU  81  -7.105  -0.762 -11.488
  Start of MODEL    7
 4991   HD23  LEU  81          HD22      LEU  81  -8.200  -2.133 -11.293
  Start of MODEL    7
 4992   HD22  LEU  81          HD23      LEU  81  -7.240  -1.972 -12.763
  Start of MODEL    7
 4993    H    ILE  82           H        ILE  82  -3.427   0.508 -12.237
  Start of MODEL    7
 4994    HA   ILE  82           HA       ILE  82  -5.599   2.259 -12.733
  Start of MODEL    7
 4995    HB   ILE  82           HB       ILE  82  -2.636   2.777 -12.459
  Start of MODEL    7
 4996   HD13  ILE  82          HD11      ILE  82  -2.596   2.724  -9.174
  Start of MODEL    7
 4997   HD12  ILE  82          HD12      ILE  82  -3.013   4.415  -9.451
  Start of MODEL    7
 4998   HD11  ILE  82          HD13      ILE  82  -1.898   3.593 -10.541
  Start of MODEL    7
 4999    H    ARG  83           H        ARG  83  -2.589   1.708 -14.576
  Start of MODEL    7
 5000    HA   ARG  83           HA       ARG  83  -3.214   3.287 -16.792
  Start of MODEL    7
 5001    HB3  ARG  83           HB2      ARG  83  -0.961   2.512 -16.230
  Start of MODEL    7
 5002    HB2  ARG  83           HB3      ARG  83  -1.377   2.138 -17.893
  Start of MODEL    7
 5003    HG3  ARG  83           HG2      ARG  83  -2.066  -0.078 -16.219
  Start of MODEL    7
 5004    HG2  ARG  83           HG3      ARG  83  -0.408   0.421 -15.878
  Start of MODEL    7
 5005    HD3  ARG  83           HD2      ARG  83   0.307  -0.001 -18.025
  Start of MODEL    7
 5006    HD2  ARG  83           HD3      ARG  83  -1.312   0.184 -18.699
  Start of MODEL    7
 5007    HE   ARG  83           HE       ARG  83  -1.151  -2.079 -16.980
  Start of MODEL    7
 5008   HH11  ARG  83          HH11      ARG  83  -0.337  -0.987 -20.209
  Start of MODEL    7
 5009   HH12  ARG  83          HH12      ARG  83  -0.386  -2.577 -20.890
  Start of MODEL    7
 5010   HH21  ARG  83          HH21      ARG  83  -1.213  -4.168 -17.887
  Start of MODEL    7
 5011   HH22  ARG  83          HH22      ARG  83  -0.884  -4.381 -19.574
  Start of MODEL    7
 5012    H    SER  84           H        SER  84  -4.119  -0.015 -16.034
  Start of MODEL    7
 5013    HA   SER  84           HA       SER  84  -5.501  -0.195 -18.615
  Start of MODEL    7
 5014    HB3  SER  84           HB2      SER  84  -4.695  -2.595 -16.988
  Start of MODEL    7
 5015    HB2  SER  84           HB3      SER  84  -3.575  -1.831 -18.120
  Start of MODEL    7
 5016    HG   SER  84           HG       SER  84  -4.770  -3.545 -19.078
  Start of MODEL    7
 5017    H    GLY  85           H        GLY  85  -6.532   0.965 -16.084
  Start of MODEL    7
 5018    HA2  GLY  85           HA2      GLY  85  -9.053  -0.420 -16.074
  Start of MODEL    7
 5019    HA3  GLY  85           HA3      GLY  85  -8.170  -0.580 -14.562
  Start of MODEL    7
 5020    H    GLN  86           H        GLN  86  -9.495   0.616 -13.242
  Start of MODEL    7
 5021    HA   GLN  86           HA       GLN  86  -9.593   3.480 -13.756
  Start of MODEL    7
 5022    HB2  GLN  86           HB2      GLN  86 -11.971   1.895 -12.779
  Start of MODEL    7
 5023    HB3  GLN  86           HB3      GLN  86 -11.935   3.603 -13.185
  Start of MODEL    7
 5024    HG2  GLN  86           HG2      GLN  86 -11.504   3.013 -15.535
  Start of MODEL    7
 5025    HG3  GLN  86           HG3      GLN  86 -11.611   1.305 -15.102
  Start of MODEL    7
 5026   HE22  GLN  86          HE21      GLN  86 -15.111   1.241 -14.887
  Start of MODEL    7
 5027   HE21  GLN  86          HE22      GLN  86 -13.634   0.454 -14.454
  Start of MODEL    7
 5028    H    SER  87           H        SER  87 -11.327   3.880 -11.430
  Start of MODEL    7
 5029    HA   SER  87           HA       SER  87  -9.354   4.077  -9.413
  Start of MODEL    7
 5030    HB3  SER  87           HB2      SER  87 -12.336   4.252  -8.952
  Start of MODEL    7
 5031    HB2  SER  87           HB3      SER  87 -11.415   5.559  -9.697
  Start of MODEL    7
 5032    HG   SER  87           HG       SER  87 -11.626   5.824  -7.430
  Start of MODEL    7
 5033    H    VAL  88           H        VAL  88  -8.821   2.714  -7.786
  Start of MODEL    7
 5034    HA   VAL  88           HA       VAL  88 -10.602   0.558  -7.021
  Start of MODEL    7
 5035    HB   VAL  88           HB       VAL  88  -8.598  -1.078  -7.283
  Start of MODEL    7
 5036    HA   PRO  89           HA       PRO  89  -8.445   2.227  -3.377
  Start of MODEL    7
 5037    HB2  PRO  89           HB2      PRO  89 -10.980   1.596  -2.069
  Start of MODEL    7
 5038    HB3  PRO  89           HB3      PRO  89 -10.198   3.170  -2.290
  Start of MODEL    7
 5039    HG2  PRO  89           HG2      PRO  89 -12.478   2.417  -3.606
  Start of MODEL    7
 5040    HG3  PRO  89           HG3      PRO  89 -11.318   3.592  -4.249
  Start of MODEL    7
 5041    HD3  PRO  89           HD2      PRO  89 -11.317   2.077  -5.977
  Start of MODEL    7
 5042    HD2  PRO  89           HD3      PRO  89 -11.718   0.713  -4.906
  Start of MODEL    7
 5043    H    GLU  90           H        GLU  90  -7.056   0.756  -2.560
  Start of MODEL    7
 5044    HA   GLU  90           HA       GLU  90  -7.974  -1.320  -0.847
  Start of MODEL    7
 5045    HB3  GLU  90           HB2      GLU  90  -8.347  -2.652  -2.757
  Start of MODEL    7
 5046    HB2  GLU  90           HB3      GLU  90  -6.795  -3.184  -2.131
  Start of MODEL    7
 5047    HG2  GLU  90           HG2      GLU  90  -7.145  -1.249  -4.412
  Start of MODEL    7
 5048    HG3  GLU  90           HG3      GLU  90  -5.629  -1.935  -3.831
  Start of MODEL    7
 5049    H    HIS  91           H        HIS  91  -6.637   0.016   0.503
  Start of MODEL    7
 5050    HA   HIS  91           HA       HIS  91  -3.819  -0.792   0.412
  Start of MODEL    7
 5051    HB2  HIS  91           HB2      HIS  91  -3.190   1.583   1.086
  Start of MODEL    7
 5052    HB3  HIS  91           HB3      HIS  91  -3.673   1.357  -0.591
  Start of MODEL    7
 5053    HD1  HIS  91           HD1      HIS  91  -5.800   2.534  -1.383
  Start of MODEL    7
 5054    HD2  HIS  91           HD2      HIS  91  -5.022   3.064   2.664
  Start of MODEL    7
 5055    HE1  HIS  91           HE1      HIS  91  -7.376   4.341  -0.627
  Start of MODEL    7
 5056    HE2  HIS  91           HE2      HIS  91  -6.952   4.578   1.845
  Start of MODEL    7
 5057    H    ASP  92           H        ASP  92  -5.521  -2.032   2.031
  Start of MODEL    7
 5058    HA   ASP  92           HA       ASP  92  -5.742  -0.753   4.609
  Start of MODEL    7
 5059    HB2  ASP  92           HB2      ASP  92  -6.308  -3.576   3.671
  Start of MODEL    7
 5060    HB3  ASP  92           HB3      ASP  92  -6.573  -3.029   5.325
  Start of MODEL    7
 5061    H    VAL  93           H        VAL  93  -4.243  -3.855   3.704
  Start of MODEL    7
 5062    HA   VAL  93           HA       VAL  93  -2.191  -3.417   5.741
  Start of MODEL    7
 5063    HB   VAL  93           HB       VAL  93  -2.913  -6.032   4.419
  Start of MODEL    7
 5064    H    ALA  94           H        ALA  94  -2.691  -3.504   2.383
  Start of MODEL    7
 5065    HA   ALA  94           HA       ALA  94  -1.293  -3.249   0.609
  Start of MODEL    7
 5066    HB3  ALA  94           HB1      ALA  94   0.915  -2.485   0.882
  Start of MODEL    7
 5067    HB2  ALA  94           HB2      ALA  94   1.062  -3.212   2.482
  Start of MODEL    7
 5068    HB1  ALA  94           HB3      ALA  94   0.018  -1.810   2.241
  Start of MODEL    7
 5069    H    ALA  95           H        ALA  95  -1.608  -5.825   2.473
  Start of MODEL    7
 5070    HA   ALA  95           HA       ALA  95   0.209  -7.506   0.892
  Start of MODEL    7
 5071    HB1  ALA  95           HB1      ALA  95  -0.842  -8.026   3.672
  Start of MODEL    7
 5072    HB3  ALA  95           HB2      ALA  95   0.800  -7.528   3.263
  Start of MODEL    7
 5073    HB2  ALA  95           HB3      ALA  95   0.201  -9.104   2.745
  Start of MODEL    7
 5074    H    ALA  96           H        ALA  96  -2.975  -7.272   2.424
  Start of MODEL    7
 5075    HA   ALA  96           HA       ALA  96  -3.976  -9.434   0.705
  Start of MODEL    7
 5076    HB3  ALA  96           HB1      ALA  96  -4.389  -9.730   3.089
  Start of MODEL    7
 5077    HB2  ALA  96           HB2      ALA  96  -5.906  -9.503   2.217
  Start of MODEL    7
 5078    HB1  ALA  96           HB3      ALA  96  -5.218  -8.174   3.151
  Start of MODEL    7
 5079    HA   PRO  97           HA       PRO  97  -5.610  -5.812  -1.548
  Start of MODEL    7
 5080    HB2  PRO  97           HB2      PRO  97  -6.009  -7.075  -3.900
  Start of MODEL    7
 5081    HB3  PRO  97           HB3      PRO  97  -4.410  -6.532  -3.375
  Start of MODEL    7
 5082    HG3  PRO  97           HG2      PRO  97  -4.004  -8.801  -3.743
  Start of MODEL    7
 5083    HG2  PRO  97           HG3      PRO  97  -5.635  -9.266  -3.220
  Start of MODEL    7
 5084    HD2  PRO  97           HD2      PRO  97  -4.535  -9.759  -1.264
  Start of MODEL    7
 5085    HD3  PRO  97           HD3      PRO  97  -3.237  -8.589  -1.581
  Start of MODEL    7
 5086    H    SER  98           H        SER  98  -7.667  -5.263  -2.429
  Start of MODEL    7
 5087    HA   SER  98           HA       SER  98  -9.934  -5.228  -2.454
  Start of MODEL    7
 5088    HB2  SER  98           HB2      SER  98  -9.491  -7.113  -4.082
  Start of MODEL    7
 5089    HB3  SER  98           HB3      SER  98  -9.800  -8.234  -2.757
  Start of MODEL    7
 5090    HG   SER  98           HG       SER  98 -11.567  -6.557  -4.125
  Start of MODEL    7
 5091    H    SER  99           H        SER  99 -10.337  -4.545  -0.371
  Start of MODEL    7
 5092    HA   SER  99           HA       SER  99 -10.312  -6.250   1.899
  Start of MODEL    7
 5093    HB2  SER  99           HB2      SER  99 -11.465  -4.371   3.047
  Start of MODEL    7
 5094    HB3  SER  99           HB3      SER  99 -10.038  -3.845   2.148
  Start of MODEL    7
 5095    HG   SER  99           HG       SER  99 -11.843  -2.477   1.792
  Start of MODEL    7
 5096    H    SER 100           H        SER 100 -12.755  -5.496  -0.484
  Start of MODEL    7
 5097    HA   SER 100           HA       SER 100 -14.935  -6.551   1.091
  Start of MODEL    7
 5098    HB3  SER 100           HB2      SER 100 -14.920  -5.890  -1.862
  Start of MODEL    7
 5099    HB2  SER 100           HB3      SER 100 -15.220  -4.706  -0.588
  Start of MODEL    7
 5100    HG   SER 100           HG       SER 100 -17.127  -5.601  -0.173
  Start of MODEL    7
 5101    H    ALA 101           H        ALA 101 -13.130  -7.602  -1.806
  Start of MODEL    7
 5102    HA   ALA 101           HA       ALA 101 -13.947 -10.367  -1.206
  Start of MODEL    7
 5103    HB1  ALA 101           HB1      ALA 101 -13.969  -9.097  -3.942
  Start of MODEL    7
 5104    HB3  ALA 101           HB2      ALA 101 -15.379  -9.590  -3.003
  Start of MODEL    7
 5105    HB2  ALA 101           HB3      ALA 101 -14.251 -10.805  -3.603
  Start of MODEL    7
 5106    HA   PRO 102           HA       PRO 102  -9.275  -9.949  -1.454
  Start of MODEL    7
 5107    HB3  PRO 102           HB2      PRO 102  -8.534 -11.061   0.427
  Start of MODEL    7
 5108    HB2  PRO 102           HB3      PRO 102  -9.722 -12.359   0.258
  Start of MODEL    7
 5109    HG2  PRO 102           HG2      PRO 102 -10.661 -11.091   1.992
  Start of MODEL    7
 5110    HG3  PRO 102           HG3      PRO 102 -10.107  -9.565   1.274
  Start of MODEL    7
 5111    HD2  PRO 102           HD2      PRO 102 -12.405 -11.312   0.471
  Start of MODEL    7
 5112    HD3  PRO 102           HD3      PRO 102 -12.310  -9.537   0.550
  Start of MODEL    7
 5113    H    GLN 103           H        GLN 103 -11.158 -12.993  -1.467
  Start of MODEL    7
 5114    HA   GLN 103           HA       GLN 103 -10.093 -13.703  -4.060
  Start of MODEL    7
 5115    HB3  GLN 103           HB2      GLN 103  -9.608 -15.622  -1.786
  Start of MODEL    7
 5116    HB2  GLN 103           HB3      GLN 103  -8.392 -14.478  -2.319
  Start of MODEL    7
 5117    HG2  GLN 103           HG2      GLN 103  -9.547 -16.813  -3.786
  Start of MODEL    7
 5118    HG3  GLN 103           HG3      GLN 103  -8.708 -15.511  -4.616
  Start of MODEL    7
 5119   HE21  GLN 103          HE21      GLN 103  -6.483 -15.177  -4.205
  Start of MODEL    7
 5120   HE22  GLN 103          HE22      GLN 103  -5.502 -16.436  -3.544
  Start of MODEL    7
 5121    H    GLU 104           H        GLU 104 -12.613 -13.148  -3.775
  Start of MODEL    7
 5122    HA   GLU 104           HA       GLU 104 -14.209 -15.416  -2.963
  Start of MODEL    7
 5123    HB2  GLU 104           HB2      GLU 104 -14.866 -12.929  -2.818
  Start of MODEL    7
 5124    HB3  GLU 104           HB3      GLU 104 -15.203 -13.046  -4.539
  Start of MODEL    7
 5125    HG3  GLU 104           HG2      GLU 104 -16.491 -14.708  -2.381
  Start of MODEL    7
 5126    HG2  GLU 104           HG3      GLU 104 -16.840 -14.802  -4.107
  Start of MODEL    7
 5127    H    SER 105           H        SER 105 -14.654 -17.123  -4.198
  Start of MODEL    7
 5128    HA   SER 105           HA       SER 105 -13.985 -17.086  -7.025
  Start of MODEL    7
 5129    HB3  SER 105           HB2      SER 105 -13.287 -19.018  -5.717
  Start of MODEL    7
 5130    HB2  SER 105           HB3      SER 105 -14.472 -19.521  -6.921
  Start of MODEL    7
 5131    HG   SER 105           HG       SER 105 -14.907 -20.410  -4.856
  Start of MODEL    8
 5132    HA3  GLY  -2           HA2      GLY  -2 -16.858  10.854   9.031
  Start of MODEL    8
 5133    HA2  GLY  -2           HA3      GLY  -2 -18.240  10.062   9.773
  Start of MODEL    8
 5134    H    SER  -1           H        SER  -1 -16.255  10.087   6.826
  Start of MODEL    8
 5135    HA   SER  -1           HA       SER  -1 -18.695   9.623   5.259
  Start of MODEL    8
 5136    HB3  SER  -1           HB2      SER  -1 -17.355  10.460   3.339
  Start of MODEL    8
 5137    HB2  SER  -1           HB3      SER  -1 -15.979  10.673   4.422
  Start of MODEL    8
 5138    HG   SER  -1           HG       SER  -1 -17.185  12.608   4.125
  Start of MODEL    8
 5139    H    HIS   0           H        HIS   0 -18.929   7.915   3.881
  Start of MODEL    8
 5140    HA   HIS   0           HA       HIS   0 -16.934   5.774   4.110
  Start of MODEL    8
 5141    HB2  HIS   0           HB2      HIS   0 -19.836   5.748   3.255
  Start of MODEL    8
 5142    HB3  HIS   0           HB3      HIS   0 -18.783   4.340   3.159
  Start of MODEL    8
 5143    HD1  HIS   0           HD1      HIS   0 -20.534   6.546   5.636
  Start of MODEL    8
 5144    HD2  HIS   0           HD2      HIS   0 -18.286   3.051   5.576
  Start of MODEL    8
 5145    HE1  HIS   0           HE1      HIS   0 -20.777   5.550   7.933
  Start of MODEL    8
 5146    HE2  HIS   0           HE2      HIS   0 -19.341   3.481   7.898
  Start of MODEL    8
 5147    H    MET   1           H        MET   1 -18.971   7.326   1.616
  Start of MODEL    8
 5148    HA   MET   1           HA       MET   1 -17.192   6.283  -0.467
  Start of MODEL    8
 5149    HB3  MET   1           HB2      MET   1 -18.950   7.214  -2.022
  Start of MODEL    8
 5150    HB2  MET   1           HB3      MET   1 -19.894   7.633  -0.598
  Start of MODEL    8
 5151    HG2  MET   1           HG2      MET   1 -19.030   4.854  -1.374
  Start of MODEL    8
 5152    HG3  MET   1           HG3      MET   1 -19.995   5.281   0.039
  Start of MODEL    8
 5153    HE3  MET   1           HE1      MET   1 -22.485   5.470   0.070
  Start of MODEL    8
 5154    HE2  MET   1           HE2      MET   1 -23.459   6.033  -1.288
  Start of MODEL    8
 5155    HE1  MET   1           HE3      MET   1 -22.236   7.089  -0.582
  Start of MODEL    8
 5156    H    SER   2           H        SER   2 -15.986   7.571  -1.810
  Start of MODEL    8
 5157    HA   SER   2           HA       SER   2 -16.097  10.481  -1.425
  Start of MODEL    8
 5158    HB3  SER   2           HB2      SER   2 -14.305   9.728   0.034
  Start of MODEL    8
 5159    HB2  SER   2           HB3      SER   2 -13.608  10.562  -1.354
  Start of MODEL    8
 5160    HG   SER   2           HG       SER   2 -12.526   8.595  -0.881
  Start of MODEL    8
 5161    H    ALA   3           H        ALA   3 -16.229  11.496  -3.316
  Start of MODEL    8
 5162    HA   ALA   3           HA       ALA   3 -14.915  10.329  -5.675
  Start of MODEL    8
 5163    HB2  ALA   3           HB1      ALA   3 -16.864  10.786  -7.058
  Start of MODEL    8
 5164    HB1  ALA   3           HB2      ALA   3 -17.742  11.389  -5.652
  Start of MODEL    8
 5165    HB3  ALA   3           HB3      ALA   3 -17.283   9.688  -5.744
  Start of MODEL    8
 5166    H    GLY   4           H        GLY   4 -13.856  12.389  -4.146
  Start of MODEL    8
 5167    HA2  GLY   4           HA2      GLY   4 -14.533  14.909  -5.458
  Start of MODEL    8
 5168    HA3  GLY   4           HA3      GLY   4 -13.415  14.696  -4.121
  Start of MODEL    8
 5169    H    GLU   5           H        GLU   5 -13.812  14.349  -7.604
  Start of MODEL    8
 5170    HA   GLU   5           HA       GLU   5 -11.044  13.743  -8.061
  Start of MODEL    8
 5171    HB3  GLU   5           HB2      GLU   5 -13.032  14.646 -10.141
  Start of MODEL    8
 5172    HB2  GLU   5           HB3      GLU   5 -13.026  13.004  -9.502
  Start of MODEL    8
 5173    HG2  GLU   5           HG2      GLU   5 -10.794  14.366 -10.995
  Start of MODEL    8
 5174    HG3  GLU   5           HG3      GLU   5 -10.680  12.766 -10.261
  Start of MODEL    8
 5175    HA   PRO   6           HA       PRO   6 -10.003  18.143  -7.967
  Start of MODEL    8
 5176    HB2  PRO   6           HB2      PRO   6  -7.346  17.880  -7.842
  Start of MODEL    8
 5177    HB3  PRO   6           HB3      PRO   6  -8.371  17.428  -6.470
  Start of MODEL    8
 5178    HG2  PRO   6           HG2      PRO   6  -7.185  15.659  -8.586
  Start of MODEL    8
 5179    HG3  PRO   6           HG3      PRO   6  -7.155  15.459  -6.823
  Start of MODEL    8
 5180    HD2  PRO   6           HD2      PRO   6  -8.955  14.194  -8.408
  Start of MODEL    8
 5181    HD3  PRO   6           HD3      PRO   6  -9.322  14.701  -6.742
  Start of MODEL    8
 5182    H    HIS   7           H        HIS   7  -8.024  19.348  -9.229
  Start of MODEL    8
 5183    HA   HIS   7           HA       HIS   7  -8.605  18.903 -12.046
  Start of MODEL    8
 5184    HB2  HIS   7           HB2      HIS   7  -7.123  21.105 -10.594
  Start of MODEL    8
 5185    HB3  HIS   7           HB3      HIS   7  -7.298  21.044 -12.345
  Start of MODEL    8
 5186    HD1  HIS   7           HD1      HIS   7  -9.709  21.414 -13.306
  Start of MODEL    8
 5187    HD2  HIS   7           HD2      HIS   7  -9.350  22.002  -9.207
  Start of MODEL    8
 5188    HE1  HIS   7           HE1      HIS   7 -11.802  22.625 -12.614
  Start of MODEL    8
 5189    HE2  HIS   7           HE2      HIS   7 -11.600  22.894 -10.117
  Start of MODEL    8
 5190    H    GLU   8           H        GLU   8  -7.451  17.162 -12.760
  Start of MODEL    8
 5191    HA   GLU   8           HA       GLU   8  -4.581  17.010 -12.204
  Start of MODEL    8
 5192    HB2  GLU   8           HB2      GLU   8  -6.266  15.039 -13.758
  Start of MODEL    8
 5193    HB3  GLU   8           HB3      GLU   8  -4.662  14.777 -13.092
  Start of MODEL    8
 5194    HG2  GLU   8           HG2      GLU   8  -5.825  13.724 -11.486
  Start of MODEL    8
 5195    HG3  GLU   8           HG3      GLU   8  -5.959  15.349 -10.821
  Start of MODEL    8
 5196    H    THR   9           H        THR   9  -3.242  16.191 -14.177
  Start of MODEL    8
 5197    HA   THR   9           HA       THR   9  -4.062  17.320 -16.707
  Start of MODEL    8
 5198    HB   THR   9           HB       THR   9  -3.113  19.297 -15.807
  Start of MODEL    8
 5199    HG1  THR   9           HG1      THR   9  -2.282  19.226 -17.773
  Start of MODEL    8
 5200   HG23  THR   9          HG21      THR   9  -1.105  19.536 -14.656
  Start of MODEL    8
 5201   HG22  THR   9          HG22      THR   9  -0.543  17.929 -15.112
  Start of MODEL    8
 5202   HG21  THR   9          HG23      THR   9  -1.849  18.107 -13.941
  Start of MODEL    8
 5203    H    ASP  10           H        ASP  10  -1.279  15.935 -14.946
  Start of MODEL    8
 5204    HA   ASP  10           HA       ASP  10  -0.995  13.941 -17.074
  Start of MODEL    8
 5205    HB2  ASP  10           HB2      ASP  10   1.419  15.383 -15.953
  Start of MODEL    8
 5206    HB3  ASP  10           HB3      ASP  10   1.370  14.241 -17.296
  Start of MODEL    8
 5207    H    CYS  11           H        CYS  11  -1.821  12.391 -15.642
  Start of MODEL    8
 5208    HA   CYS  11           HA       CYS  11  -0.440  12.005 -13.102
  Start of MODEL    8
 5209    HB2  CYS  11           HB2      CYS  11  -2.905  11.848 -13.168
  Start of MODEL    8
 5210    HB3  CYS  11           HB3      CYS  11  -2.776  10.464 -14.248
  Start of MODEL    8
 5211    H    SER  12           H        SER  12  -1.074  10.185 -16.110
  Start of MODEL    8
 5212    HA   SER  12           HA       SER  12   0.062   7.772 -15.539
  Start of MODEL    8
 5213    HB2  SER  12           HB2      SER  12   0.382   9.290 -18.134
  Start of MODEL    8
 5214    HB3  SER  12           HB3      SER  12   0.648   7.559 -17.914
  Start of MODEL    8
 5215    HG   SER  12           HG       SER  12  -1.454   8.051 -18.727
  Start of MODEL    8
 5216    H    GLU  13           H        GLU  13   1.769  10.789 -16.137
  Start of MODEL    8
 5217    HA   GLU  13           HA       GLU  13   4.339   9.657 -16.450
  Start of MODEL    8
 5218    HB2  GLU  13           HB2      GLU  13   3.512  12.399 -15.549
  Start of MODEL    8
 5219    HB3  GLU  13           HB3      GLU  13   5.169  11.949 -15.895
  Start of MODEL    8
 5220    HG2  GLU  13           HG2      GLU  13   2.982  11.677 -17.933
  Start of MODEL    8
 5221    HG3  GLU  13           HG3      GLU  13   3.869  13.182 -17.704
  Start of MODEL    8
 5222    H    ILE  14           H        ILE  14   2.668  11.060 -13.643
  Start of MODEL    8
 5223    HA   ILE  14           HA       ILE  14   4.685  10.648 -11.734
  Start of MODEL    8
 5224    HB   ILE  14           HB       ILE  14   1.676  10.645 -11.467
  Start of MODEL    8
 5225   HD12  ILE  14          HD11      ILE  14   4.269  13.791 -10.297
  Start of MODEL    8
 5226   HD11  ILE  14          HD12      ILE  14   4.592  12.120  -9.839
  Start of MODEL    8
 5227   HD13  ILE  14          HD13      ILE  14   3.324  13.031  -9.018
  Start of MODEL    8
 5228    H    LEU  15           H        LEU  15   2.059   8.447 -12.833
  Start of MODEL    8
 5229    HA   LEU  15           HA       LEU  15   2.872   6.333 -11.174
  Start of MODEL    8
 5230    HB2  LEU  15           HB2      LEU  15   1.702   5.921 -13.913
  Start of MODEL    8
 5231    HB3  LEU  15           HB3      LEU  15   1.451   4.975 -12.459
  Start of MODEL    8
 5232    HG   LEU  15           HG       LEU  15   0.326   7.732 -12.983
  Start of MODEL    8
 5233   HD12  LEU  15          HD11      LEU  15  -1.181   5.149 -12.738
  Start of MODEL    8
 5234   HD11  LEU  15          HD12      LEU  15  -0.652   5.811 -14.285
  Start of MODEL    8
 5235   HD13  LEU  15          HD13      LEU  15  -1.778   6.719 -13.276
  Start of MODEL    8
 5236   HD23  LEU  15          HD21      LEU  15  -1.020   7.243 -10.915
  Start of MODEL    8
 5237   HD22  LEU  15          HD22      LEU  15   0.693   7.559 -10.643
  Start of MODEL    8
 5238   HD21  LEU  15          HD23      LEU  15   0.084   5.903 -10.604
  Start of MODEL    8
 5239    H    ASP  16           H        ASP  16   3.515   7.090 -14.628
  Start of MODEL    8
 5240    HA   ASP  16           HA       ASP  16   5.264   5.212 -15.353
  Start of MODEL    8
 5241    HB3  ASP  16           HB2      ASP  16   5.917   8.129 -15.802
  Start of MODEL    8
 5242    HB2  ASP  16           HB3      ASP  16   4.613   7.298 -16.643
  Start of MODEL    8
 5243    H    HIS  17           H        HIS  17   6.094   7.771 -12.910
  Start of MODEL    8
 5244    HA   HIS  17           HA       HIS  17   8.832   6.894 -12.862
  Start of MODEL    8
 5245    HB3  HIS  17           HB2      HIS  17   9.226   8.514 -11.284
  Start of MODEL    8
 5246    HB2  HIS  17           HB3      HIS  17   7.702   8.237 -10.456
  Start of MODEL    8
 5247    HD1  HIS  17           HD1      HIS  17   7.116  10.629 -10.204
  Start of MODEL    8
 5248    HD2  HIS  17           HD2      HIS  17   7.761   9.559 -14.162
  Start of MODEL    8
 5249    HE1  HIS  17           HE1      HIS  17   6.387  12.609 -11.545
  Start of MODEL    8
 5250    HE2  HIS  17           HE2      HIS  17   6.888  11.987 -13.945
  Start of MODEL    8
 5251    H    LEU  18           H        LEU  18   6.061   6.768 -10.619
  Start of MODEL    8
 5252    HA   LEU  18           HA       LEU  18   6.936   5.156  -8.651
  Start of MODEL    8
 5253    HB3  LEU  18           HB2      LEU  18   4.560   3.996  -8.851
  Start of MODEL    8
 5254    HB2  LEU  18           HB3      LEU  18   4.295   5.254 -10.043
  Start of MODEL    8
 5255    HG   LEU  18           HG       LEU  18   5.240   5.928  -7.272
  Start of MODEL    8
 5256   HD13  LEU  18          HD11      LEU  18   5.403   7.668  -8.965
  Start of MODEL    8
 5257   HD12  LEU  18          HD12      LEU  18   4.155   8.063  -7.777
  Start of MODEL    8
 5258   HD11  LEU  18          HD13      LEU  18   3.693   7.446  -9.364
  Start of MODEL    8
 5259   HD21  LEU  18          HD21      LEU  18   2.442   5.335  -8.183
  Start of MODEL    8
 5260   HD23  LEU  18          HD22      LEU  18   2.777   6.408  -6.825
  Start of MODEL    8
 5261   HD22  LEU  18          HD23      LEU  18   3.295   4.725  -6.765
  Start of MODEL    8
 5262    H    TYR  19           H        TYR  19   6.386   4.062 -11.940
  Start of MODEL    8
 5263    HA   TYR  19           HA       TYR  19   6.687   1.273 -11.209
  Start of MODEL    8
 5264    HB3  TYR  19           HB2      TYR  19   6.640   2.395 -14.019
  Start of MODEL    8
 5265    HB2  TYR  19           HB3      TYR  19   5.171   2.183 -13.075
  Start of MODEL    8
 5266    HD1  TYR  19           HD1      TYR  19   8.148   0.272 -14.232
  Start of MODEL    8
 5267    HD2  TYR  19           HD2      TYR  19   3.993   0.154 -13.250
  Start of MODEL    8
 5268    HE1  TYR  19           HE1      TYR  19   8.046  -2.060 -14.987
  Start of MODEL    8
 5269    HE2  TYR  19           HE2      TYR  19   3.888  -2.184 -14.005
  Start of MODEL    8
 5270    HH   TYR  19           HH       TYR  19   5.670  -3.598 -15.899
  Start of MODEL    8
 5271    H    GLU  20           H        GLU  20   8.406   3.276 -13.632
  Start of MODEL    8
 5272    HA   GLU  20           HA       GLU  20  10.691   1.636 -13.689
  Start of MODEL    8
 5273    HB3  GLU  20           HB2      GLU  20   9.850   4.273 -14.775
  Start of MODEL    8
 5274    HB2  GLU  20           HB3      GLU  20  10.428   2.848 -15.619
  Start of MODEL    8
 5275    HG3  GLU  20           HG2      GLU  20  12.621   3.658 -14.217
  Start of MODEL    8
 5276    HG2  GLU  20           HG3      GLU  20  11.862   5.180 -14.660
  Start of MODEL    8
 5277    H    PHE  21           H        PHE  21   9.900   4.554 -11.929
  Start of MODEL    8
 5278    HA   PHE  21           HA       PHE  21  12.427   5.235 -10.898
  Start of MODEL    8
 5279    HB3  PHE  21           HB2      PHE  21   9.837   5.617  -9.387
  Start of MODEL    8
 5280    HB2  PHE  21           HB3      PHE  21  10.143   6.524 -10.855
  Start of MODEL    8
 5281    HD1  PHE  21           HD1      PHE  21  10.849   8.649 -10.549
  Start of MODEL    8
 5282    HD2  PHE  21           HD2      PHE  21  11.972   5.690  -7.718
  Start of MODEL    8
 5283    HE1  PHE  21           HE1      PHE  21  12.048  10.363  -9.254
  Start of MODEL    8
 5284    HE2  PHE  21           HE2      PHE  21  13.181   7.399  -6.408
  Start of MODEL    8
 5285    HZ   PHE  21           HZ       PHE  21  13.216   9.738  -7.177
  Start of MODEL    8
 5286    H    LEU  22           H        LEU  22   9.756   3.460  -9.567
  Start of MODEL    8
 5287    HA   LEU  22           HA       LEU  22  11.086   2.660  -7.182
  Start of MODEL    8
 5288    HB2  LEU  22           HB2      LEU  22   8.641   2.885  -7.471
  Start of MODEL    8
 5289    HB3  LEU  22           HB3      LEU  22   8.655   1.445  -8.468
  Start of MODEL    8
 5290    HG   LEU  22           HG       LEU  22   9.325   0.087  -6.576
  Start of MODEL    8
 5291   HD13  LEU  22          HD11      LEU  22   7.289   0.452  -5.155
  Start of MODEL    8
 5292   HD12  LEU  22          HD12      LEU  22   6.981   0.320  -6.887
  Start of MODEL    8
 5293   HD11  LEU  22          HD13      LEU  22   6.972   1.900  -6.109
  Start of MODEL    8
 5294   HD22  LEU  22          HD21      LEU  22   9.093   2.496  -4.805
  Start of MODEL    8
 5295   HD21  LEU  22          HD22      LEU  22  10.639   1.945  -5.447
  Start of MODEL    8
 5296   HD23  LEU  22          HD23      LEU  22   9.693   0.890  -4.400
  Start of MODEL    8
 5297    H    ASP  23           H        ASP  23  10.227   0.787 -10.129
  Start of MODEL    8
 5298    HA   ASP  23           HA       ASP  23  11.571  -1.545  -9.212
  Start of MODEL    8
 5299    HB2  ASP  23           HB2      ASP  23   9.625  -1.182 -10.966
  Start of MODEL    8
 5300    HB3  ASP  23           HB3      ASP  23  10.970  -1.145 -12.105
  Start of MODEL    8
 5301    H    LYS  24           H        LYS  24  12.515   0.916 -11.641
  Start of MODEL    8
 5302    HA   LYS  24           HA       LYS  24  14.971  -0.545 -12.110
  Start of MODEL    8
 5303    HB2  LYS  24           HB2      LYS  24  13.531   1.634 -13.539
  Start of MODEL    8
 5304    HB3  LYS  24           HB3      LYS  24  15.248   1.414 -13.839
  Start of MODEL    8
 5305    HG3  LYS  24           HG2      LYS  24  14.559  -1.085 -14.213
  Start of MODEL    8
 5306    HG2  LYS  24           HG3      LYS  24  14.348   0.114 -15.491
  Start of MODEL    8
 5307    HD3  LYS  24           HD2      LYS  24  12.008   0.336 -14.983
  Start of MODEL    8
 5308    HD2  LYS  24           HD3      LYS  24  12.173  -0.686 -13.554
  Start of MODEL    8
 5309    HE3  LYS  24           HE2      LYS  24  12.776  -2.581 -14.984
  Start of MODEL    8
 5310    HE2  LYS  24           HE3      LYS  24  12.602  -1.559 -16.410
  Start of MODEL    8
 5311    HZ1  LYS  24           HZ1      LYS  24  10.264  -1.262 -15.865
  Start of MODEL    8
 5312    HZ3  LYS  24           HZ2      LYS  24  10.433  -2.246 -14.500
  Start of MODEL    8
 5313    HZ2  LYS  24           HZ3      LYS  24  10.634  -2.904 -16.045
  Start of MODEL    8
 5314    H    GLU  25           H        GLU  25  14.044   2.575 -10.667
  Start of MODEL    8
 5315    HA   GLU  25           HA       GLU  25  16.702   3.565 -10.652
  Start of MODEL    8
 5316    HB3  GLU  25           HB2      GLU  25  14.819   4.565  -8.584
  Start of MODEL    8
 5317    HB2  GLU  25           HB3      GLU  25  14.356   4.776 -10.265
  Start of MODEL    8
 5318    HG2  GLU  25           HG2      GLU  25  16.909   5.749  -9.002
  Start of MODEL    8
 5319    HG3  GLU  25           HG3      GLU  25  16.463   5.945 -10.696
  Start of MODEL    8
 5320    H    MET  26           H        MET  26  14.808   2.736  -7.709
  Start of MODEL    8
 5321    HA   MET  26           HA       MET  26  16.565   0.878  -6.628
  Start of MODEL    8
 5322    HB2  MET  26           HB2      MET  26  17.616   3.552  -6.491
  Start of MODEL    8
 5323    HB3  MET  26           HB3      MET  26  17.265   2.994  -4.863
  Start of MODEL    8
 5324    HG2  MET  26           HG2      MET  26  18.696   1.116  -5.102
  Start of MODEL    8
 5325    HG3  MET  26           HG3      MET  26  18.888   1.404  -6.830
  Start of MODEL    8
 5326    HE3  MET  26           HE1      MET  26  21.364   0.896  -4.945
  Start of MODEL    8
 5327    HE2  MET  26           HE2      MET  26  22.477   2.152  -5.487
  Start of MODEL    8
 5328    HE1  MET  26           HE3      MET  26  21.519   1.254  -6.664
  Start of MODEL    8
 5329    HA   PRO  27           HA       PRO  27  12.380   0.906  -4.708
  Start of MODEL    8
 5330    HB3  PRO  27           HB2      PRO  27  12.232  -1.274  -3.905
  Start of MODEL    8
 5331    HB2  PRO  27           HB3      PRO  27  13.938  -1.321  -3.429
  Start of MODEL    8
 5332    HG3  PRO  27           HG2      PRO  27  12.721  -1.515  -6.160
  Start of MODEL    8
 5333    HG2  PRO  27           HG3      PRO  27  14.056  -2.448  -5.462
  Start of MODEL    8
 5334    HD3  PRO  27           HD2      PRO  27  14.360  -0.252  -7.131
  Start of MODEL    8
 5335    HD2  PRO  27           HD3      PRO  27  15.598  -0.862  -6.013
  Start of MODEL    8
 5336    H    ASP  28           H        ASP  28  15.432   0.544  -2.843
  Start of MODEL    8
 5337    HA   ASP  28           HA       ASP  28  14.137   1.602  -0.467
  Start of MODEL    8
 5338    HB3  ASP  28           HB2      ASP  28  15.730  -0.214  -0.171
  Start of MODEL    8
 5339    HB2  ASP  28           HB3      ASP  28  16.325   1.234   0.635
  Start of MODEL    8
 5340    H    SER  29           H        SER  29  16.530   2.706  -2.832
  Start of MODEL    8
 5341    HA   SER  29           HA       SER  29  16.827   5.241  -1.424
  Start of MODEL    8
 5342    HB2  SER  29           HB2      SER  29  18.491   3.736  -3.130
  Start of MODEL    8
 5343    HB3  SER  29           HB3      SER  29  18.101   5.217  -4.006
  Start of MODEL    8
 5344    HG   SER  29           HG       SER  29  19.946   5.447  -2.661
  Start of MODEL    8
 5345    H    ASP  30           H        ASP  30  14.229   4.827  -2.206
  Start of MODEL    8
 5346    HA   ASP  30           HA       ASP  30  13.886   6.907  -4.245
  Start of MODEL    8
 5347    HB2  ASP  30           HB2      ASP  30  12.469   4.246  -4.136
  Start of MODEL    8
 5348    HB3  ASP  30           HB3      ASP  30  11.835   5.622  -5.030
  Start of MODEL    8
 5349    H    ALA  31           H        ALA  31  12.819   5.432  -1.246
  Start of MODEL    8
 5350    HA   ALA  31           HA       ALA  31  10.292   6.575  -0.983
  Start of MODEL    8
 5351    HB2  ALA  31           HB1      ALA  31  11.637   6.608   1.543
  Start of MODEL    8
 5352    HB1  ALA  31           HB2      ALA  31  12.068   5.149   0.651
  Start of MODEL    8
 5353    HB3  ALA  31           HB3      ALA  31  10.375   5.524   0.960
  Start of MODEL    8
 5354    H    VAL  32           H        VAL  32  13.469   7.996  -0.287
  Start of MODEL    8
 5355    HA   VAL  32           HA       VAL  32  12.305  10.438   0.699
  Start of MODEL    8
 5356    HB   VAL  32           HB       VAL  32  15.187   9.902   0.053
  Start of MODEL    8
 5357    H    LYS  33           H        LYS  33  13.607   9.255  -2.322
  Start of MODEL    8
 5358    HA   LYS  33           HA       LYS  33  13.704  11.888  -3.531
  Start of MODEL    8
 5359    HB3  LYS  33           HB2      LYS  33  14.327  10.708  -5.578
  Start of MODEL    8
 5360    HB2  LYS  33           HB3      LYS  33  13.932   9.165  -4.837
  Start of MODEL    8
 5361    HG3  LYS  33           HG2      LYS  33  16.308   9.431  -4.852
  Start of MODEL    8
 5362    HG2  LYS  33           HG3      LYS  33  15.739   9.542  -3.185
  Start of MODEL    8
 5363    HD2  LYS  33           HD2      LYS  33  16.278  11.949  -4.918
  Start of MODEL    8
 5364    HD3  LYS  33           HD3      LYS  33  15.976  11.918  -3.180
  Start of MODEL    8
 5365    HE2  LYS  33           HE2      LYS  33  18.063  10.691  -2.837
  Start of MODEL    8
 5366    HE3  LYS  33           HE3      LYS  33  18.363  10.708  -4.574
  Start of MODEL    8
 5367    HZ3  LYS  33           HZ1      LYS  33  18.467  13.122  -4.496
  Start of MODEL    8
 5368    HZ2  LYS  33           HZ2      LYS  33  19.607  12.440  -3.450
  Start of MODEL    8
 5369    HZ1  LYS  33           HZ3      LYS  33  18.181  13.104  -2.828
  Start of MODEL    8
 5370    H    PHE  34           H        PHE  34  11.400   9.422  -2.998
  Start of MODEL    8
 5371    HA   PHE  34           HA       PHE  34   9.681   9.849  -5.198
  Start of MODEL    8
 5372    HB3  PHE  34           HB2      PHE  34   7.956   8.911  -3.401
  Start of MODEL    8
 5373    HB2  PHE  34           HB3      PHE  34   9.425   8.579  -2.496
  Start of MODEL    8
 5374    HD1  PHE  34           HD1      PHE  34   9.152   6.221  -2.498
  Start of MODEL    8
 5375    HD2  PHE  34           HD2      PHE  34   9.250   8.365  -6.174
  Start of MODEL    8
 5376    HE1  PHE  34           HE1      PHE  34   9.332   4.113  -3.719
  Start of MODEL    8
 5377    HE2  PHE  34           HE2      PHE  34   9.448   6.259  -7.401
  Start of MODEL    8
 5378    HZ   PHE  34           HZ       PHE  34   9.496   4.123  -6.179
  Start of MODEL    8
 5379    H    GLU  35           H        GLU  35   9.036  10.731  -1.801
  Start of MODEL    8
 5380    HA   GLU  35           HA       GLU  35   6.995  12.313  -1.756
  Start of MODEL    8
 5381    HB3  GLU  35           HB2      GLU  35   9.461  13.622  -0.670
  Start of MODEL    8
 5382    HB2  GLU  35           HB3      GLU  35   8.933  12.075  -0.023
  Start of MODEL    8
 5383    HG2  GLU  35           HG2      GLU  35   7.292  14.599  -0.102
  Start of MODEL    8
 5384    HG3  GLU  35           HG3      GLU  35   6.768  13.046   0.551
  Start of MODEL    8
 5385    H    HIS  36           H        HIS  36  10.028  13.570  -3.156
  Start of MODEL    8
 5386    HA   HIS  36           HA       HIS  36   9.233  16.172  -3.693
  Start of MODEL    8
 5387    HB3  HIS  36           HB2      HIS  36  11.028  16.299  -5.265
  Start of MODEL    8
 5388    HB2  HIS  36           HB3      HIS  36  10.981  14.564  -5.561
  Start of MODEL    8
 5389    HD1  HIS  36           HD1      HIS  36  11.488  16.641  -2.395
  Start of MODEL    8
 5390    HD2  HIS  36           HD2      HIS  36  13.092  13.431  -4.487
  Start of MODEL    8
 5391    HE1  HIS  36           HE1      HIS  36  13.447  15.862  -1.020
  Start of MODEL    8
 5392    HE2  HIS  36           HE2      HIS  36  14.467  13.982  -2.356
  Start of MODEL    8
 5393    H    HIS  37           H        HIS  37   9.143  13.459  -6.012
  Start of MODEL    8
 5394    HA   HIS  37           HA       HIS  37   7.621  14.957  -7.922
  Start of MODEL    8
 5395    HB2  HIS  37           HB2      HIS  37   7.880  11.976  -8.048
  Start of MODEL    8
 5396    HB3  HIS  37           HB3      HIS  37   7.860  13.151  -9.360
  Start of MODEL    8
 5397    HD1  HIS  37           HD1      HIS  37  10.071  14.374  -9.844
  Start of MODEL    8
 5398    HD2  HIS  37           HD2      HIS  37  10.307  11.491  -6.870
  Start of MODEL    8
 5399    HE1  HIS  37           HE1      HIS  37  12.496  14.038  -9.432
  Start of MODEL    8
 5400    HE2  HIS  37           HE2      HIS  37  12.649  12.166  -7.760
  Start of MODEL    8
 5401    H    PHE  38           H        PHE  38   6.919  12.570  -5.460
  Start of MODEL    8
 5402    HA   PHE  38           HA       PHE  38   4.306  11.898  -6.268
  Start of MODEL    8
 5403    HB2  PHE  38           HB2      PHE  38   5.742  11.727  -3.618
  Start of MODEL    8
 5404    HB3  PHE  38           HB3      PHE  38   4.082  11.173  -3.823
  Start of MODEL    8
 5405    HD1  PHE  38           HD1      PHE  38   6.143  10.687  -6.762
  Start of MODEL    8
 5406    HD2  PHE  38           HD2      PHE  38   5.052   8.965  -2.975
  Start of MODEL    8
 5407    HE1  PHE  38           HE1      PHE  38   6.902   8.482  -7.526
  Start of MODEL    8
 5408    HE2  PHE  38           HE2      PHE  38   5.854   6.786  -3.749
  Start of MODEL    8
 5409    HZ   PHE  38           HZ       PHE  38   6.760   6.536  -6.026
  Start of MODEL    8
 5410    H    GLU  39           H        GLU  39   5.545  14.618  -4.423
  Start of MODEL    8
 5411    HA   GLU  39           HA       GLU  39   2.873  15.411  -3.561
  Start of MODEL    8
 5412    HB3  GLU  39           HB2      GLU  39   4.140  17.379  -2.565
  Start of MODEL    8
 5413    HB2  GLU  39           HB3      GLU  39   5.614  16.584  -3.102
  Start of MODEL    8
 5414    HG2  GLU  39           HG2      GLU  39   4.760  14.558  -1.766
  Start of MODEL    8
 5415    HG3  GLU  39           HG3      GLU  39   5.434  15.932  -0.891
  Start of MODEL    8
 5416    H    GLU  40           H        GLU  40   5.215  16.311  -6.025
  Start of MODEL    8
 5417    HA   GLU  40           HA       GLU  40   4.274  18.853  -6.657
  Start of MODEL    8
 5418    HB2  GLU  40           HB2      GLU  40   5.418  18.677  -8.724
  Start of MODEL    8
 5419    HB3  GLU  40           HB3      GLU  40   6.363  17.787  -7.544
  Start of MODEL    8
 5420    HG2  GLU  40           HG2      GLU  40   6.321  16.001  -8.834
  Start of MODEL    8
 5421    HG3  GLU  40           HG3      GLU  40   4.563  15.977  -8.797
  Start of MODEL    8
 5422    H    SER  41           H        SER  41   2.933  15.724  -7.545
  Start of MODEL    8
 5423    HA   SER  41           HA       SER  41   0.685  17.145  -8.802
  Start of MODEL    8
 5424    HB2  SER  41           HB2      SER  41   1.068  14.476  -9.884
  Start of MODEL    8
 5425    HB3  SER  41           HB3      SER  41   0.815  16.004 -10.722
  Start of MODEL    8
 5426    HG   SER  41           HG       SER  41   2.835  15.364 -11.274
  Start of MODEL    8
 5427    H    SER  42           H        SER  42   0.210  16.778  -6.325
  Start of MODEL    8
 5428    HA   SER  42           HA       SER  42  -0.570  14.265  -5.383
  Start of MODEL    8
 5429    HB2  SER  42           HB2      SER  42  -1.893  16.887  -4.650
  Start of MODEL    8
 5430    HB3  SER  42           HB3      SER  42  -1.805  15.424  -3.672
  Start of MODEL    8
 5431    HG   SER  42           HG       SER  42   0.090  17.387  -4.095
  Start of MODEL    8
 5432    HA   PRO  43           HA       PRO  43  -5.036  15.551  -7.164
  Start of MODEL    8
 5433    HB2  PRO  43           HB2      PRO  43  -4.022  16.730  -9.684
  Start of MODEL    8
 5434    HB3  PRO  43           HB3      PRO  43  -5.428  17.180  -8.716
  Start of MODEL    8
 5435    HG3  PRO  43           HG2      PRO  43  -4.144  18.344  -7.163
  Start of MODEL    8
 5436    HG2  PRO  43           HG3      PRO  43  -3.248  18.684  -8.658
  Start of MODEL    8
 5437    HD3  PRO  43           HD2      PRO  43  -2.028  17.635  -6.524
  Start of MODEL    8
 5438    HD2  PRO  43           HD3      PRO  43  -1.600  17.123  -8.169
  Start of MODEL    8
 5439    H    CYS  44           H        CYS  44  -2.225  14.273  -8.861
  Start of MODEL    8
 5440    HA   CYS  44           HA       CYS  44  -3.785  12.695 -10.720
  Start of MODEL    8
 5441    HB2  CYS  44           HB2      CYS  44  -1.711  12.927 -11.682
  Start of MODEL    8
 5442    HB3  CYS  44           HB3      CYS  44  -0.919  13.179 -10.131
  Start of MODEL    8
 5443    H    LEU  45           H        LEU  45  -1.923  12.315  -7.789
  Start of MODEL    8
 5444    HA   LEU  45           HA       LEU  45  -2.432   9.573  -7.386
  Start of MODEL    8
 5445    HB3  LEU  45           HB2      LEU  45  -1.718  11.194  -5.059
  Start of MODEL    8
 5446    HB2  LEU  45           HB3      LEU  45  -0.703  11.480  -6.452
  Start of MODEL    8
 5447    HG   LEU  45           HG       LEU  45  -1.215   8.731  -5.531
  Start of MODEL    8
 5448   HD12  LEU  45          HD11      LEU  45   0.314   8.788  -3.865
  Start of MODEL    8
 5449   HD11  LEU  45          HD12      LEU  45  -0.244  10.454  -3.757
  Start of MODEL    8
 5450   HD13  LEU  45          HD13      LEU  45   1.244  10.078  -4.623
  Start of MODEL    8
 5451   HD21  LEU  45          HD21      LEU  45   1.084   9.993  -6.990
  Start of MODEL    8
 5452   HD23  LEU  45          HD22      LEU  45  -0.202   9.033  -7.722
  Start of MODEL    8
 5453   HD22  LEU  45          HD23      LEU  45   0.924   8.282  -6.592
  Start of MODEL    8
 5454    H    GLU  46           H        GLU  46  -4.554  12.155  -7.136
  Start of MODEL    8
 5455    HA   GLU  46           HA       GLU  46  -6.064  10.871  -4.950
  Start of MODEL    8
 5456    HB2  GLU  46           HB2      GLU  46  -6.085  13.738  -5.908
  Start of MODEL    8
 5457    HB3  GLU  46           HB3      GLU  46  -7.139  13.098  -4.657
  Start of MODEL    8
 5458    HG3  GLU  46           HG2      GLU  46  -4.462  14.058  -4.456
  Start of MODEL    8
 5459    HG2  GLU  46           HG3      GLU  46  -4.512  12.361  -3.974
  Start of MODEL    8
 5460    H    LYS  47           H        LYS  47  -5.924  10.650  -7.988
  Start of MODEL    8
 5461    HA   LYS  47           HA       LYS  47  -8.800  10.864  -8.550
  Start of MODEL    8
 5462    HB2  LYS  47           HB2      LYS  47  -8.501  11.063 -10.800
  Start of MODEL    8
 5463    HB3  LYS  47           HB3      LYS  47  -7.088  11.902 -10.179
  Start of MODEL    8
 5464    HG3  LYS  47           HG2      LYS  47  -7.240   9.654 -11.932
  Start of MODEL    8
 5465    HG2  LYS  47           HG3      LYS  47  -6.339   9.216 -10.480
  Start of MODEL    8
 5466    HD3  LYS  47           HD2      LYS  47  -4.663  10.103 -11.727
  Start of MODEL    8
 5467    HD2  LYS  47           HD3      LYS  47  -5.215  11.534 -10.860
  Start of MODEL    8
 5468    HE3  LYS  47           HE2      LYS  47  -4.993  12.230 -13.099
  Start of MODEL    8
 5469    HE2  LYS  47           HE3      LYS  47  -6.721  11.970 -12.873
  Start of MODEL    8
 5470    HZ3  LYS  47           HZ1      LYS  47  -5.742  11.049 -14.973
  Start of MODEL    8
 5471    HZ2  LYS  47           HZ2      LYS  47  -6.620   9.942 -14.044
  Start of MODEL    8
 5472    HZ1  LYS  47           HZ3      LYS  47  -4.929   9.908 -14.025
  Start of MODEL    8
 5473    H    TYR  48           H        TYR  48  -6.429   8.675  -7.742
  Start of MODEL    8
 5474    HA   TYR  48           HA       TYR  48  -8.190   6.421  -8.449
  Start of MODEL    8
 5475    HB3  TYR  48           HB2      TYR  48  -6.224   5.024  -8.847
  Start of MODEL    8
 5476    HB2  TYR  48           HB3      TYR  48  -5.164   6.386  -8.481
  Start of MODEL    8
 5477    HD1  TYR  48           HD1      TYR  48  -4.183   7.342 -10.333
  Start of MODEL    8
 5478    HD2  TYR  48           HD2      TYR  48  -8.120   5.775 -10.704
  Start of MODEL    8
 5479    HE1  TYR  48           HE1      TYR  48  -4.214   7.998 -12.703
  Start of MODEL    8
 5480    HE2  TYR  48           HE2      TYR  48  -8.159   6.413 -13.076
  Start of MODEL    8
 5481    HH   TYR  48           HH       TYR  48  -5.870   6.889 -14.899
  Start of MODEL    8
 5482    H    GLY  49           H        GLY  49  -6.043   7.895  -6.102
  Start of MODEL    8
 5483    HA3  GLY  49           HA2      GLY  49  -7.043   6.017  -4.098
  Start of MODEL    8
 5484    HA2  GLY  49           HA3      GLY  49  -6.390   7.616  -3.771
  Start of MODEL    8
 5485    H    LEU  50           H        LEU  50  -4.032   7.481  -5.257
  Start of MODEL    8
 5486    HA   LEU  50           HA       LEU  50  -2.570   5.156  -4.287
  Start of MODEL    8
 5487    HB3  LEU  50           HB2      LEU  50  -0.783   6.904  -5.548
  Start of MODEL    8
 5488    HB2  LEU  50           HB3      LEU  50  -2.271   7.041  -6.460
  Start of MODEL    8
 5489    HG   LEU  50           HG       LEU  50  -0.479   4.664  -6.107
  Start of MODEL    8
 5490   HD13  LEU  50          HD11      LEU  50  -1.805   5.957  -8.487
  Start of MODEL    8
 5491   HD12  LEU  50          HD12      LEU  50  -0.709   4.574  -8.542
  Start of MODEL    8
 5492   HD11  LEU  50          HD13      LEU  50  -0.119   6.144  -8.000
  Start of MODEL    8
 5493   HD21  LEU  50          HD21      LEU  50  -3.403   4.590  -6.829
  Start of MODEL    8
 5494   HD23  LEU  50          HD22      LEU  50  -2.576   3.694  -5.554
  Start of MODEL    8
 5495   HD22  LEU  50          HD23      LEU  50  -2.265   3.308  -7.244
  Start of MODEL    8
 5496    H    GLU  51           H        GLU  51  -3.091   8.469  -3.393
  Start of MODEL    8
 5497    HA   GLU  51           HA       GLU  51  -0.759   9.222  -2.134
  Start of MODEL    8
 5498    HB3  GLU  51           HB2      GLU  51  -2.350  10.222  -0.327
  Start of MODEL    8
 5499    HB2  GLU  51           HB3      GLU  51  -3.640   9.599  -1.345
  Start of MODEL    8
 5500    HG2  GLU  51           HG2      GLU  51  -2.276  10.915  -3.207
  Start of MODEL    8
 5501    HG3  GLU  51           HG3      GLU  51  -3.514  11.675  -2.211
  Start of MODEL    8
 5502    H    GLN  52           H        GLN  52  -3.376   7.444  -0.621
  Start of MODEL    8
 5503    HA   GLN  52           HA       GLN  52  -2.261   6.778   1.807
  Start of MODEL    8
 5504    HB3  GLN  52           HB2      GLN  52  -4.181   5.233   0.064
  Start of MODEL    8
 5505    HB2  GLN  52           HB3      GLN  52  -4.564   6.298   1.409
  Start of MODEL    8
 5506    HG3  GLN  52           HG2      GLN  52  -2.903   4.279   2.445
  Start of MODEL    8
 5507    HG2  GLN  52           HG3      GLN  52  -4.076   3.479   1.402
  Start of MODEL    8
 5508   HE21  GLN  52          HE21      GLN  52  -6.347   3.893   1.812
  Start of MODEL    8
 5509   HE22  GLN  52          HE22      GLN  52  -6.867   4.248   3.421
  Start of MODEL    8
 5510    H    ALA  53           H        ALA  53  -1.684   5.219  -1.315
  Start of MODEL    8
 5511    HA   ALA  53           HA       ALA  53  -0.201   3.042  -0.162
  Start of MODEL    8
 5512    HB3  ALA  53           HB1      ALA  53   0.235   2.327  -2.412
  Start of MODEL    8
 5513    HB2  ALA  53           HB2      ALA  53  -0.302   3.883  -3.051
  Start of MODEL    8
 5514    HB1  ALA  53           HB3      ALA  53  -1.459   2.803  -2.272
  Start of MODEL    8
 5515    H    VAL  54           H        VAL  54   0.744   5.824  -2.202
  Start of MODEL    8
 5516    HA   VAL  54           HA       VAL  54   3.508   5.335  -2.107
  Start of MODEL    8
 5517    HB   VAL  54           HB       VAL  54   3.888   7.450  -3.014
  Start of MODEL    8
 5518    H    LYS  55           H        LYS  55   1.454   7.055   0.217
  Start of MODEL    8
 5519    HA   LYS  55           HA       LYS  55   3.449   8.353   1.709
  Start of MODEL    8
 5520    HB2  LYS  55           HB2      LYS  55   0.939   6.994   2.749
  Start of MODEL    8
 5521    HB3  LYS  55           HB3      LYS  55   1.912   8.140   3.652
  Start of MODEL    8
 5522    HG3  LYS  55           HG2      LYS  55   0.306   9.558   2.974
  Start of MODEL    8
 5523    HG2  LYS  55           HG3      LYS  55  -0.105   8.595   1.555
  Start of MODEL    8
 5524    HD2  LYS  55           HD2      LYS  55   2.413  10.248   1.760
  Start of MODEL    8
 5525    HD3  LYS  55           HD3      LYS  55   1.721   9.504   0.317
  Start of MODEL    8
 5526    HE2  LYS  55           HE2      LYS  55  -0.230  10.986   0.507
  Start of MODEL    8
 5527    HE3  LYS  55           HE3      LYS  55   0.502  11.750   1.918
  Start of MODEL    8
 5528    HZ2  LYS  55           HZ1      LYS  55   0.876  13.044  -0.086
  Start of MODEL    8
 5529    HZ1  LYS  55           HZ2      LYS  55   1.649  11.732  -0.823
  Start of MODEL    8
 5530    HZ3  LYS  55           HZ3      LYS  55   2.343  12.471   0.532
  Start of MODEL    8
 5531    H    LYS  56           H        LYS  56   2.208   5.117   1.725
  Start of MODEL    8
 5532    HA   LYS  56           HA       LYS  56   3.796   4.087   3.852
  Start of MODEL    8
 5533    HB2  LYS  56           HB2      LYS  56   2.038   2.898   1.756
  Start of MODEL    8
 5534    HB3  LYS  56           HB3      LYS  56   3.168   1.840   2.585
  Start of MODEL    8
 5535    HG2  LYS  56           HG2      LYS  56   0.686   2.269   3.447
  Start of MODEL    8
 5536    HG3  LYS  56           HG3      LYS  56   2.030   1.912   4.526
  Start of MODEL    8
 5537    HD3  LYS  56           HD2      LYS  56   2.068   4.700   4.161
  Start of MODEL    8
 5538    HD2  LYS  56           HD3      LYS  56   1.635   3.807   5.614
  Start of MODEL    8
 5539    HE2  LYS  56           HE2      LYS  56  -0.228   5.109   5.307
  Start of MODEL    8
 5540    HE3  LYS  56           HE3      LYS  56  -0.104   5.063   3.551
  Start of MODEL    8
 5541    HZ1  LYS  56           HZ1      LYS  56  -0.759   2.607   5.050
  Start of MODEL    8
 5542    HZ3  LYS  56           HZ2      LYS  56  -1.140   3.016   3.452
  Start of MODEL    8
 5543    HZ2  LYS  56           HZ3      LYS  56  -1.966   3.749   4.732
  Start of MODEL    8
 5544    H    LEU  57           H        LEU  57   4.137   4.197   0.325
  Start of MODEL    8
 5545    HA   LEU  57           HA       LEU  57   6.448   2.656   0.087
  Start of MODEL    8
 5546    HB3  LEU  57           HB2      LEU  57   5.701   5.021  -1.599
  Start of MODEL    8
 5547    HB2  LEU  57           HB3      LEU  57   4.926   3.457  -1.750
  Start of MODEL    8
 5548    HG   LEU  57           HG       LEU  57   7.524   4.410  -2.711
  Start of MODEL    8
 5549   HD13  LEU  57          HD11      LEU  57   6.288   1.994  -3.832
  Start of MODEL    8
 5550   HD12  LEU  57          HD12      LEU  57   6.871   3.466  -4.626
  Start of MODEL    8
 5551   HD11  LEU  57          HD13      LEU  57   5.285   3.455  -3.855
  Start of MODEL    8
 5552   HD22  LEU  57          HD21      LEU  57   8.513   2.118  -2.727
  Start of MODEL    8
 5553   HD21  LEU  57          HD22      LEU  57   7.261   1.629  -1.589
  Start of MODEL    8
 5554   HD23  LEU  57          HD23      LEU  57   8.438   2.858  -1.131
  Start of MODEL    8
 5555    H    VAL  58           H        VAL  58   5.987   6.102   0.658
  Start of MODEL    8
 5556    HA   VAL  58           HA       VAL  58   8.747   6.783   0.596
  Start of MODEL    8
 5557    HB   VAL  58           HB       VAL  58   6.401   8.236   1.835
  Start of MODEL    8
 5558    H    LYS  59           H        LYS  59   6.529   5.705   3.052
  Start of MODEL    8
 5559    HA   LYS  59           HA       LYS  59   7.828   6.466   5.338
  Start of MODEL    8
 5560    HB3  LYS  59           HB2      LYS  59   5.990   4.202   4.659
  Start of MODEL    8
 5561    HB2  LYS  59           HB3      LYS  59   5.648   5.667   5.553
  Start of MODEL    8
 5562    HG3  LYS  59           HG2      LYS  59   5.753   4.311   7.343
  Start of MODEL    8
 5563    HG2  LYS  59           HG3      LYS  59   7.500   4.497   7.157
  Start of MODEL    8
 5564    HD2  LYS  59           HD2      LYS  59   7.206   2.495   5.478
  Start of MODEL    8
 5565    HD3  LYS  59           HD3      LYS  59   7.355   2.212   7.216
  Start of MODEL    8
 5566    HE3  LYS  59           HE2      LYS  59   5.530   0.916   6.094
  Start of MODEL    8
 5567    HE2  LYS  59           HE3      LYS  59   4.721   2.452   5.762
  Start of MODEL    8
 5568    HZ1  LYS  59           HZ1      LYS  59   5.473   1.615   8.504
  Start of MODEL    8
 5569    HZ3  LYS  59           HZ2      LYS  59   3.984   1.212   7.811
  Start of MODEL    8
 5570    HZ2  LYS  59           HZ3      LYS  59   4.396   2.836   8.043
  Start of MODEL    8
 5571    H    ARG  60           H        ARG  60   8.426   3.656   3.275
  Start of MODEL    8
 5572    HA   ARG  60           HA       ARG  60  10.023   2.109   4.914
  Start of MODEL    8
 5573    HB3  ARG  60           HB2      ARG  60  11.319   1.833   2.534
  Start of MODEL    8
 5574    HB2  ARG  60           HB3      ARG  60   9.799   2.523   1.993
  Start of MODEL    8
 5575    HG2  ARG  60           HG2      ARG  60  10.080   0.008   3.636
  Start of MODEL    8
 5576    HG3  ARG  60           HG3      ARG  60   8.574   0.704   3.017
  Start of MODEL    8
 5577    HD2  ARG  60           HD2      ARG  60   9.375  -1.121   1.610
  Start of MODEL    8
 5578    HD3  ARG  60           HD3      ARG  60   9.361   0.410   0.744
  Start of MODEL    8
 5579    HE   ARG  60           HE       ARG  60  11.911  -0.119   1.891
  Start of MODEL    8
 5580   HH11  ARG  60          HH11      ARG  60   9.856  -0.971  -0.817
  Start of MODEL    8
 5581   HH12  ARG  60          HH12      ARG  60  11.184  -1.389  -1.845
  Start of MODEL    8
 5582   HH21  ARG  60          HH21      ARG  60  13.649  -0.675   0.529
  Start of MODEL    8
 5583   HH22  ARG  60          HH22      ARG  60  13.334  -1.223  -1.084
  Start of MODEL    8
 5584    H    ALA  61           H        ALA  61  11.392   4.214   2.417
  Start of MODEL    8
 5585    HA   ALA  61           HA       ALA  61  13.383   5.262   2.241
  Start of MODEL    8
 5586    HB1  ALA  61           HB1      ALA  61  12.525   6.061   5.009
  Start of MODEL    8
 5587    HB3  ALA  61           HB2      ALA  61  12.357   6.964   3.505
  Start of MODEL    8
 5588    HB2  ALA  61           HB3      ALA  61  13.950   6.745   4.227
  Start of MODEL    8
 5589    H    ALA  62           H        ALA  62  13.899   4.662   5.693
  Start of MODEL    8
 5590    HA   ALA  62           HA       ALA  62  16.457   3.466   5.130
  Start of MODEL    8
 5591    HB3  ALA  62           HB1      ALA  62  16.814   3.528   7.515
  Start of MODEL    8
 5592    HB2  ALA  62           HB2      ALA  62  15.108   3.871   7.798
  Start of MODEL    8
 5593    HB1  ALA  62           HB3      ALA  62  16.128   5.066   6.995
  Start of MODEL    8
 5594    H    GLY  63           H        GLY  63  16.962   1.494   6.765
  Start of MODEL    8
 5595    HA3  GLY  63           HA2      GLY  63  16.763  -0.818   6.761
  Start of MODEL    8
 5596    HA2  GLY  63           HA3      GLY  63  15.294  -0.664   5.806
  Start of MODEL    8
 5597    H    GLN  64           H        GLN  64  13.363   0.239   7.055
  Start of MODEL    8
 5598    HA   GLN  64           HA       GLN  64  13.387  -0.765   9.816
  Start of MODEL    8
 5599    HB2  GLN  64           HB2      GLN  64  11.707   1.380   8.524
  Start of MODEL    8
 5600    HB3  GLN  64           HB3      GLN  64  11.330   0.701  10.101
  Start of MODEL    8
 5601    HG2  GLN  64           HG2      GLN  64  14.027   1.874   9.542
  Start of MODEL    8
 5602    HG3  GLN  64           HG3      GLN  64  12.659   2.902   9.961
  Start of MODEL    8
 5603   HE21  GLN  64          HE21      GLN  64  11.696   2.675  12.028
  Start of MODEL    8
 5604   HE22  GLN  64          HE22      GLN  64  12.569   1.971  13.342
  Start of MODEL    8
 5605    H    ASP  65           H        ASP  65  10.493  -0.096   7.928
  Start of MODEL    8
 5606    HA   ASP  65           HA       ASP  65   9.420  -2.678   8.530
  Start of MODEL    8
 5607    HB3  ASP  65           HB2      ASP  65   8.216  -1.017   6.363
  Start of MODEL    8
 5608    HB2  ASP  65           HB3      ASP  65   8.241  -0.334   7.984
  Start of MODEL    8
 5609    H    ASP  66           H        ASP  66  11.487  -1.469   6.136
  Start of MODEL    8
 5610    HA   ASP  66           HA       ASP  66  12.432  -2.323   4.275
  Start of MODEL    8
 5611    HB3  ASP  66           HB2      ASP  66  11.971  -5.039   4.271
  Start of MODEL    8
 5612    HB2  ASP  66           HB3      ASP  66  11.838  -4.609   5.968
  Start of MODEL    8
 5613    H    VAL  67           H        VAL  67   9.362  -4.112   4.691
  Start of MODEL    8
 5614    HA   VAL  67           HA       VAL  67   7.880  -4.894   3.147
  Start of MODEL    8
 5615    HB   VAL  67           HB       VAL  67   7.872  -2.234   1.804
  Start of MODEL    8
 5616    HA   PRO  68           HA       PRO  68  10.956  -5.553  -0.204
  Start of MODEL    8
 5617    HB3  PRO  68           HB2      PRO  68  12.194  -6.822   1.286
  Start of MODEL    8
 5618    HB2  PRO  68           HB3      PRO  68  11.473  -8.118   0.324
  Start of MODEL    8
 5619    HG2  PRO  68           HG2      PRO  68   9.857  -8.585   1.923
  Start of MODEL    8
 5620    HG3  PRO  68           HG3      PRO  68  11.169  -8.037   2.983
  Start of MODEL    8
 5621    HD3  PRO  68           HD2      PRO  68  10.090  -6.085   3.488
  Start of MODEL    8
 5622    HD2  PRO  68           HD3      PRO  68   8.636  -6.877   2.841
  Start of MODEL    8
 5623    H    GLY  69           H        GLY  69   9.776  -5.567  -2.056
  Start of MODEL    8
 5624    HA3  GLY  69           HA2      GLY  69   8.712  -8.019  -3.021
  Start of MODEL    8
 5625    HA2  GLY  69           HA3      GLY  69   8.635  -6.467  -3.832
  Start of MODEL    8
 5626    H    ASP  70           H        ASP  70   7.264  -6.017  -0.835
  Start of MODEL    8
 5627    HA   ASP  70           HA       ASP  70   4.604  -6.889  -1.717
  Start of MODEL    8
 5628    HB2  ASP  70           HB2      ASP  70   5.676  -6.136   1.008
  Start of MODEL    8
 5629    HB3  ASP  70           HB3      ASP  70   3.959  -6.392   0.692
  Start of MODEL    8
 5630    H    LEU  71           H        LEU  71   6.451  -4.024  -0.878
  Start of MODEL    8
 5631    HA   LEU  71           HA       LEU  71   4.165  -2.277  -0.905
  Start of MODEL    8
 5632    HB2  LEU  71           HB2      LEU  71   6.576  -2.053   0.211
  Start of MODEL    8
 5633    HB3  LEU  71           HB3      LEU  71   6.966  -1.311  -1.327
  Start of MODEL    8
 5634    HG   LEU  71           HG       LEU  71   5.520   0.500  -0.954
  Start of MODEL    8
 5635   HD11  LEU  71          HD11      LEU  71   7.038  -0.330   1.494
  Start of MODEL    8
 5636   HD13  LEU  71          HD12      LEU  71   6.229   1.233   1.394
  Start of MODEL    8
 5637   HD12  LEU  71          HD13      LEU  71   7.501   0.818   0.243
  Start of MODEL    8
 5638   HD22  LEU  71          HD21      LEU  71   4.175   0.481   1.309
  Start of MODEL    8
 5639   HD21  LEU  71          HD22      LEU  71   4.232  -1.266   1.077
  Start of MODEL    8
 5640   HD23  LEU  71          HD23      LEU  71   3.498  -0.235  -0.154
  Start of MODEL    8
 5641    H    ARG  72           H        ARG  72   7.026  -2.662  -2.951
  Start of MODEL    8
 5642    HA   ARG  72           HA       ARG  72   6.237  -1.096  -5.100
  Start of MODEL    8
 5643    HB2  ARG  72           HB2      ARG  72   8.510  -2.057  -4.749
  Start of MODEL    8
 5644    HB3  ARG  72           HB3      ARG  72   7.872  -3.605  -5.249
  Start of MODEL    8
 5645    HG3  ARG  72           HG2      ARG  72   8.999  -1.641  -6.848
  Start of MODEL    8
 5646    HG2  ARG  72           HG3      ARG  72   7.272  -1.583  -7.196
  Start of MODEL    8
 5647    HD3  ARG  72           HD2      ARG  72   8.186  -3.140  -8.706
  Start of MODEL    8
 5648    HD2  ARG  72           HD3      ARG  72   7.383  -4.100  -7.464
  Start of MODEL    8
 5649    HE   ARG  72           HE       ARG  72  10.177  -3.661  -6.946
  Start of MODEL    8
 5650   HH11  ARG  72          HH11      ARG  72   7.892  -5.712  -8.639
  Start of MODEL    8
 5651   HH12  ARG  72          HH12      ARG  72   8.966  -7.067  -8.690
  Start of MODEL    8
 5652   HH21  ARG  72          HH21      ARG  72  11.580  -5.451  -7.021
  Start of MODEL    8
 5653   HH22  ARG  72          HH22      ARG  72  11.057  -6.921  -7.773
  Start of MODEL    8
 5654    H    ALA  73           H        ALA  73   5.967  -4.615  -4.807
  Start of MODEL    8
 5655    HA   ALA  73           HA       ALA  73   4.565  -5.188  -7.115
  Start of MODEL    8
 5656    HB3  ALA  73           HB1      ALA  73   5.435  -6.928  -5.625
  Start of MODEL    8
 5657    HB2  ALA  73           HB2      ALA  73   3.737  -7.203  -6.012
  Start of MODEL    8
 5658    HB1  ALA  73           HB3      ALA  73   4.185  -6.540  -4.441
  Start of MODEL    8
 5659    H    LYS  74           H        LYS  74   3.474  -3.804  -4.148
  Start of MODEL    8
 5660    HA   LYS  74           HA       LYS  74   0.667  -3.983  -4.680
  Start of MODEL    8
 5661    HB3  LYS  74           HB2      LYS  74   1.765  -1.896  -2.887
  Start of MODEL    8
 5662    HB2  LYS  74           HB3      LYS  74   2.000  -3.558  -2.407
  Start of MODEL    8
 5663    HG2  LYS  74           HG2      LYS  74  -0.009  -2.453  -1.423
  Start of MODEL    8
 5664    HG3  LYS  74           HG3      LYS  74  -0.685  -2.351  -3.050
  Start of MODEL    8
 5665    HD3  LYS  74           HD2      LYS  74   0.126  -4.918  -1.685
  Start of MODEL    8
 5666    HD2  LYS  74           HD3      LYS  74  -0.671  -4.763  -3.250
  Start of MODEL    8
 5667    HE3  LYS  74           HE2      LYS  74  -2.614  -3.744  -2.145
  Start of MODEL    8
 5668    HE2  LYS  74           HE3      LYS  74  -1.820  -3.946  -0.584
  Start of MODEL    8
 5669    HZ2  LYS  74           HZ1      LYS  74  -3.399  -5.718  -0.990
  Start of MODEL    8
 5670    HZ1  LYS  74           HZ2      LYS  74  -1.828  -6.343  -0.938
  Start of MODEL    8
 5671    HZ3  LYS  74           HZ3      LYS  74  -2.607  -6.140  -2.426
  Start of MODEL    8
 5672    H    VAL  75           H        VAL  75   3.180  -1.555  -4.971
  Start of MODEL    8
 5673    HA   VAL  75           HA       VAL  75   1.504   0.521  -5.979
  Start of MODEL    8
 5674    HB   VAL  75           HB       VAL  75   4.499   0.212  -6.276
  Start of MODEL    8
 5675    H    MET  76           H        MET  76   3.945  -1.533  -7.666
  Start of MODEL    8
 5676    HA   MET  76           HA       MET  76   3.379  -0.692 -10.238
  Start of MODEL    8
 5677    HB2  MET  76           HB2      MET  76   4.211  -3.418  -9.304
  Start of MODEL    8
 5678    HB3  MET  76           HB3      MET  76   4.257  -2.900 -10.975
  Start of MODEL    8
 5679    HG3  MET  76           HG2      MET  76   6.154  -2.487  -8.847
  Start of MODEL    8
 5680    HG2  MET  76           HG3      MET  76   5.656  -0.954  -9.549
  Start of MODEL    8
 5681    HE2  MET  76           HE1      MET  76   6.002  -4.462 -11.633
  Start of MODEL    8
 5682    HE1  MET  76           HE2      MET  76   6.967  -4.468 -10.156
  Start of MODEL    8
 5683    HE3  MET  76           HE3      MET  76   7.762  -4.404 -11.728
  Start of MODEL    8
 5684    H    GLY  77           H        GLY  77   1.929  -3.364  -8.435
  Start of MODEL    8
 5685    HA2  GLY  77           HA2      GLY  77   0.148  -4.252 -10.410
  Start of MODEL    8
 5686    HA3  GLY  77           HA3      GLY  77  -0.060  -4.491  -8.687
  Start of MODEL    8
 5687    H    ARG  78           H        ARG  78  -0.088  -1.584  -8.122
  Start of MODEL    8
 5688    HA   ARG  78           HA       ARG  78  -2.876  -1.126  -8.558
  Start of MODEL    8
 5689    HB2  ARG  78           HB2      ARG  78  -0.675   0.506  -7.329
  Start of MODEL    8
 5690    HB3  ARG  78           HB3      ARG  78  -2.303   1.135  -7.508
  Start of MODEL    8
 5691    HG2  ARG  78           HG2      ARG  78  -2.044  -1.495  -6.179
  Start of MODEL    8
 5692    HG3  ARG  78           HG3      ARG  78  -1.443  -0.091  -5.293
  Start of MODEL    8
 5693    HD2  ARG  78           HD2      ARG  78  -3.594   1.003  -5.526
  Start of MODEL    8
 5694    HD3  ARG  78           HD3      ARG  78  -4.206  -0.354  -6.475
  Start of MODEL    8
 5695    HE   ARG  78           HE       ARG  78  -3.449  -1.542  -4.178
  Start of MODEL    8
 5696   HH12  ARG  78          HH11      ARG  78  -6.439   1.018  -3.397
  Start of MODEL    8
 5697   HH11  ARG  78          HH12      ARG  78  -5.464   1.257  -4.806
  Start of MODEL    8
 5698   HH21  ARG  78          HH21      ARG  78  -4.740  -1.845  -2.331
  Start of MODEL    8
 5699   HH22  ARG  78          HH22      ARG  78  -6.030  -0.741  -1.994
  Start of MODEL    8
 5700    H    LEU  79           H        LEU  79   0.202   0.165  -9.801
  Start of MODEL    8
 5701    HA   LEU  79           HA       LEU  79  -0.951   2.169 -11.438
  Start of MODEL    8
 5702    HB3  LEU  79           HB2      LEU  79   1.640   0.645 -11.612
  Start of MODEL    8
 5703    HB2  LEU  79           HB3      LEU  79   1.393   2.323 -11.173
  Start of MODEL    8
 5704    HG   LEU  79           HG       LEU  79   1.292   1.086 -13.923
  Start of MODEL    8
 5705   HD11  LEU  79          HD11      LEU  79   3.342   2.256 -12.516
  Start of MODEL    8
 5706   HD13  LEU  79          HD12      LEU  79   2.755   3.566 -13.541
  Start of MODEL    8
 5707   HD12  LEU  79          HD13      LEU  79   3.266   2.042 -14.265
  Start of MODEL    8
 5708   HD23  LEU  79          HD21      LEU  79  -0.449   2.485 -14.286
  Start of MODEL    8
 5709   HD22  LEU  79          HD22      LEU  79   0.847   3.665 -14.473
  Start of MODEL    8
 5710   HD21  LEU  79          HD23      LEU  79  -0.026   3.546 -12.945
  Start of MODEL    8
 5711    H    ASP  80           H        ASP  80   0.159  -1.129 -12.196
  Start of MODEL    8
 5712    HA   ASP  80           HA       ASP  80  -0.716  -1.361 -14.775
  Start of MODEL    8
 5713    HB3  ASP  80           HB2      ASP  80  -0.774  -3.478 -12.586
  Start of MODEL    8
 5714    HB2  ASP  80           HB3      ASP  80   0.594  -3.091 -13.628
  Start of MODEL    8
 5715    H    LEU  81           H        LEU  81  -2.568  -1.365 -11.800
  Start of MODEL    8
 5716    HA   LEU  81           HA       LEU  81  -5.046  -2.290 -12.893
  Start of MODEL    8
 5717    HB3  LEU  81           HB2      LEU  81  -5.018  -0.527 -10.532
  Start of MODEL    8
 5718    HB2  LEU  81           HB3      LEU  81  -3.996  -1.931 -10.400
  Start of MODEL    8
 5719    HG   LEU  81           HG       LEU  81  -5.930  -3.383 -10.791
  Start of MODEL    8
 5720   HD11  LEU  81          HD11      LEU  81  -5.352  -2.626  -8.506
  Start of MODEL    8
 5721   HD13  LEU  81          HD12      LEU  81  -7.072  -2.967  -8.701
  Start of MODEL    8
 5722   HD12  LEU  81          HD13      LEU  81  -6.497  -1.298  -8.688
  Start of MODEL    8
 5723   HD23  LEU  81          HD21      LEU  81  -8.201  -2.233 -10.769
  Start of MODEL    8
 5724   HD22  LEU  81          HD22      LEU  81  -7.261  -2.098 -12.255
  Start of MODEL    8
 5725   HD21  LEU  81          HD23      LEU  81  -7.327  -0.741 -11.130
  Start of MODEL    8
 5726    H    ILE  82           H        ILE  82  -3.561   0.694 -11.973
  Start of MODEL    8
 5727    HA   ILE  82           HA       ILE  82  -5.688   2.468 -12.575
  Start of MODEL    8
 5728    HB   ILE  82           HB       ILE  82  -2.717   2.909 -12.320
  Start of MODEL    8
 5729   HD12  ILE  82          HD11      ILE  82  -3.158   4.386  -9.082
  Start of MODEL    8
 5730   HD11  ILE  82          HD12      ILE  82  -2.071   4.082 -10.437
  Start of MODEL    8
 5731   HD13  ILE  82          HD13      ILE  82  -2.517   2.767  -9.349
  Start of MODEL    8
 5732    H    ARG  83           H        ARG  83  -2.719   1.761 -14.445
  Start of MODEL    8
 5733    HA   ARG  83           HA       ARG  83  -3.384   3.242 -16.716
  Start of MODEL    8
 5734    HB3  ARG  83           HB2      ARG  83  -1.129   2.471 -16.198
  Start of MODEL    8
 5735    HB2  ARG  83           HB3      ARG  83  -1.605   2.003 -17.820
  Start of MODEL    8
 5736    HG3  ARG  83           HG2      ARG  83  -2.263  -0.103 -16.003
  Start of MODEL    8
 5737    HG2  ARG  83           HG3      ARG  83  -0.591   0.398 -15.733
  Start of MODEL    8
 5738    HD3  ARG  83           HD2      ARG  83   0.068  -0.163 -17.861
  Start of MODEL    8
 5739    HD2  ARG  83           HD3      ARG  83  -1.560   0.021 -18.514
  Start of MODEL    8
 5740    HE   ARG  83           HE       ARG  83  -1.380  -2.155 -16.675
  Start of MODEL    8
 5741   HH12  ARG  83          HH11      ARG  83  -0.848  -2.858 -20.591
  Start of MODEL    8
 5742   HH11  ARG  83          HH12      ARG  83  -0.723  -1.239 -19.993
  Start of MODEL    8
 5743   HH22  ARG  83          HH21      ARG  83  -1.310  -4.585 -19.163
  Start of MODEL    8
 5744   HH21  ARG  83          HH22      ARG  83  -1.539  -4.283 -17.473
  Start of MODEL    8
 5745    H    SER  84           H        SER  84  -4.347   0.017 -15.759
  Start of MODEL    8
 5746    HA   SER  84           HA       SER  84  -5.792  -0.271 -18.296
  Start of MODEL    8
 5747    HB2  SER  84           HB2      SER  84  -3.891  -1.921 -17.759
  Start of MODEL    8
 5748    HB3  SER  84           HB3      SER  84  -5.000  -2.598 -16.563
  Start of MODEL    8
 5749    HG   SER  84           HG       SER  84  -6.270  -3.335 -18.128
  Start of MODEL    8
 5750    H    GLY  85           H        GLY  85  -6.743   1.035 -15.790
  Start of MODEL    8
 5751    HA3  GLY  85           HA2      GLY  85  -8.590  -0.755 -14.535
  Start of MODEL    8
 5752    HA2  GLY  85           HA3      GLY  85  -9.374   0.242 -15.754
  Start of MODEL    8
 5753    H    GLN  86           H        GLN  86 -10.473   0.670 -13.484
  Start of MODEL    8
 5754    HA   GLN  86           HA       GLN  86  -9.188   3.026 -12.310
  Start of MODEL    8
 5755    HB3  GLN  86           HB2      GLN  86 -11.154   3.461 -13.815
  Start of MODEL    8
 5756    HB2  GLN  86           HB3      GLN  86 -11.277   4.135 -12.195
  Start of MODEL    8
 5757    HG3  GLN  86           HG2      GLN  86 -12.900   2.607 -11.549
  Start of MODEL    8
 5758    HG2  GLN  86           HG3      GLN  86 -12.479   1.469 -12.828
  Start of MODEL    8
 5759   HE21  GLN  86          HE21      GLN  86 -14.094   4.492 -12.098
  Start of MODEL    8
 5760   HE22  GLN  86          HE22      GLN  86 -15.064   4.539 -13.528
  Start of MODEL    8
 5761    H    SER  87           H        SER  87 -11.152   0.168 -11.692
  Start of MODEL    8
 5762    HA   SER  87           HA       SER  87 -11.874   0.591  -9.048
  Start of MODEL    8
 5763    HB3  SER  87           HB2      SER  87 -11.081  -2.085 -10.215
  Start of MODEL    8
 5764    HB2  SER  87           HB3      SER  87 -12.631  -1.302 -10.518
  Start of MODEL    8
 5765    HG   SER  87           HG       SER  87 -12.722  -2.804  -8.781
  Start of MODEL    8
 5766    H    VAL  88           H        VAL  88 -10.989   0.025  -7.048
  Start of MODEL    8
 5767    HA   VAL  88           HA       VAL  88  -8.308  -1.002  -6.859
  Start of MODEL    8
 5768    HB   VAL  88           HB       VAL  88  -7.800   1.089  -5.277
  Start of MODEL    8
 5769    HA   PRO  89           HA       PRO  89 -10.887  -2.043  -3.231
  Start of MODEL    8
 5770    HB3  PRO  89           HB2      PRO  89 -12.231  -3.541  -4.266
  Start of MODEL    8
 5771    HB2  PRO  89           HB3      PRO  89 -10.986  -4.753  -3.928
  Start of MODEL    8
 5772    HG3  PRO  89           HG2      PRO  89 -11.668  -3.492  -6.470
  Start of MODEL    8
 5773    HG2  PRO  89           HG3      PRO  89 -10.637  -4.896  -6.162
  Start of MODEL    8
 5774    HD3  PRO  89           HD2      PRO  89  -9.716  -2.520  -7.056
  Start of MODEL    8
 5775    HD2  PRO  89           HD3      PRO  89  -8.758  -3.598  -6.022
  Start of MODEL    8
 5776    H    GLU  90           H        GLU  90 -10.547  -3.767  -1.533
  Start of MODEL    8
 5777    HA   GLU  90           HA       GLU  90  -9.260  -4.703   0.067
  Start of MODEL    8
 5778    HB3  GLU  90           HB2      GLU  90  -7.478  -6.229  -0.699
  Start of MODEL    8
 5779    HB2  GLU  90           HB3      GLU  90  -7.659  -5.564  -2.307
  Start of MODEL    8
 5780    HG3  GLU  90           HG2      GLU  90  -8.949  -7.398  -2.532
  Start of MODEL    8
 5781    HG2  GLU  90           HG3      GLU  90 -10.155  -6.249  -1.981
  Start of MODEL    8
 5782    H    HIS  91           H        HIS  91  -7.237  -4.684   1.244
  Start of MODEL    8
 5783    HA   HIS  91           HA       HIS  91  -5.044  -3.048   0.495
  Start of MODEL    8
 5784    HB2  HIS  91           HB2      HIS  91  -7.292  -1.683   1.641
  Start of MODEL    8
 5785    HB3  HIS  91           HB3      HIS  91  -5.951  -1.614   2.776
  Start of MODEL    8
 5786    HD1  HIS  91           HD1      HIS  91  -7.290   0.623   0.693
  Start of MODEL    8
 5787    HD2  HIS  91           HD2      HIS  91  -3.506  -1.095   0.665
  Start of MODEL    8
 5788    HE1  HIS  91           HE1      HIS  91  -5.832   2.231  -0.573
  Start of MODEL    8
 5789    HE2  HIS  91           HE2      HIS  91  -3.566   1.131  -0.652
  Start of MODEL    8
 5790    H    ASP  92           H        ASP  92  -3.686  -4.611   1.252
  Start of MODEL    8
 5791    HA   ASP  92           HA       ASP  92  -3.908  -5.343   4.105
  Start of MODEL    8
 5792    HB2  ASP  92           HB2      ASP  92  -2.753  -6.895   1.795
  Start of MODEL    8
 5793    HB3  ASP  92           HB3      ASP  92  -2.579  -7.363   3.482
  Start of MODEL    8
 5794    H    VAL  93           H        VAL  93  -1.642  -4.490   1.516
  Start of MODEL    8
 5795    HA   VAL  93           HA       VAL  93   0.596  -4.493   3.314
  Start of MODEL    8
 5796    HB   VAL  93           HB       VAL  93   0.462  -3.540   0.455
  Start of MODEL    8
 5797    H    ALA  94           H        ALA  94  -1.866  -2.319   2.873
  Start of MODEL    8
 5798    HA   ALA  94           HA       ALA  94  -0.460   0.146   2.901
  Start of MODEL    8
 5799    HB3  ALA  94           HB1      ALA  94  -2.529   0.804   2.453
  Start of MODEL    8
 5800    HB2  ALA  94           HB2      ALA  94  -2.863   0.643   4.177
  Start of MODEL    8
 5801    HB1  ALA  94           HB3      ALA  94  -3.215  -0.692   3.080
  Start of MODEL    8
 5802    H    ALA  95           H        ALA  95  -0.482  -2.297   5.102
  Start of MODEL    8
 5803    HA   ALA  95           HA       ALA  95   1.021  -1.986   7.028
  Start of MODEL    8
 5804    HB2  ALA  95           HB1      ALA  95   0.417  -0.310   8.725
  Start of MODEL    8
 5805    HB1  ALA  95           HB2      ALA  95  -0.877   0.280   7.684
  Start of MODEL    8
 5806    HB3  ALA  95           HB3      ALA  95   0.806   0.448   7.181
  Start of MODEL    8
 5807    H    ALA  96           H        ALA  96  -0.656  -3.867   6.344
  Start of MODEL    8
 5808    HA   ALA  96           HA       ALA  96  -2.206  -5.396   6.936
  Start of MODEL    8
 5809    HB1  ALA  96           HB1      ALA  96  -1.307  -4.634   9.726
  Start of MODEL    8
 5810    HB3  ALA  96           HB2      ALA  96  -0.508  -5.798   8.669
  Start of MODEL    8
 5811    HB2  ALA  96           HB3      ALA  96  -2.132  -6.126   9.274
  Start of MODEL    8
 5812    HA   PRO  97           HA       PRO  97  -5.452  -2.301   8.241
  Start of MODEL    8
 5813    HB3  PRO  97           HB2      PRO  97  -4.547  -0.519   7.072
  Start of MODEL    8
 5814    HB2  PRO  97           HB3      PRO  97  -5.844  -0.908   5.952
  Start of MODEL    8
 5815    HG2  PRO  97           HG2      PRO  97  -4.440  -1.712   4.406
  Start of MODEL    8
 5816    HG3  PRO  97           HG3      PRO  97  -3.155  -0.950   5.354
  Start of MODEL    8
 5817    HD3  PRO  97           HD2      PRO  97  -2.350  -2.995   5.759
  Start of MODEL    8
 5818    HD2  PRO  97           HD3      PRO  97  -3.763  -3.773   5.053
  Start of MODEL    8
 5819    H    SER  98           H        SER  98  -7.628  -1.751   6.830
  Start of MODEL    8
 5820    HA   SER  98           HA       SER  98  -8.467  -4.197   5.426
  Start of MODEL    8
 5821    HB3  SER  98           HB2      SER  98  -9.257  -4.437   7.721
  Start of MODEL    8
 5822    HB2  SER  98           HB3      SER  98 -10.629  -4.141   6.651
  Start of MODEL    8
 5823    HG   SER  98           HG       SER  98 -10.707  -2.867   8.561
  Start of MODEL    8
 5824    H    SER  99           H        SER  99 -10.158  -3.924   3.914
  Start of MODEL    8
 5825    HA   SER  99           HA       SER  99 -10.157  -1.467   2.531
  Start of MODEL    8
 5826    HB3  SER  99           HB2      SER  99 -10.577  -3.566   1.372
  Start of MODEL    8
 5827    HB2  SER  99           HB3      SER  99 -11.952  -2.481   1.145
  Start of MODEL    8
 5828    HG   SER  99           HG       SER  99 -12.592  -4.622   1.687
  Start of MODEL    8
 5829    H    SER 100           H        SER 100 -12.356  -2.810   4.931
  Start of MODEL    8
 5830    HA   SER 100           HA       SER 100 -14.399  -0.834   4.548
  Start of MODEL    8
 5831    HB2  SER 100           HB2      SER 100 -13.916  -2.762   6.834
  Start of MODEL    8
 5832    HB3  SER 100           HB3      SER 100 -15.361  -1.769   6.640
  Start of MODEL    8
 5833    HG   SER 100           HG       SER 100 -15.650  -3.882   5.808
  Start of MODEL    8
 5834    H    ALA 101           H        ALA 101 -11.771  -1.296   6.902
  Start of MODEL    8
 5835    HA   ALA 101           HA       ALA 101 -12.015   1.547   7.625
  Start of MODEL    8
 5836    HB1  ALA 101           HB1      ALA 101 -11.695  -0.732   9.576
  Start of MODEL    8
 5837    HB3  ALA 101           HB2      ALA 101 -13.103   0.315   9.399
  Start of MODEL    8
 5838    HB2  ALA 101           HB3      ALA 101 -11.579   0.980   9.986
  Start of MODEL    8
 5839    HA   PRO 102           HA       PRO 102  -7.686   0.472   6.168
  Start of MODEL    8
 5840    HB3  PRO 102           HB2      PRO 102  -7.177   2.174   4.695
  Start of MODEL    8
 5841    HB2  PRO 102           HB3      PRO 102  -7.922   3.417   5.707
  Start of MODEL    8
 5842    HG2  PRO 102           HG2      PRO 102  -9.546   3.133   4.039
  Start of MODEL    8
 5843    HG3  PRO 102           HG3      PRO 102  -9.235   1.389   3.930
  Start of MODEL    8
 5844    HD2  PRO 102           HD2      PRO 102 -10.746   2.915   6.019
  Start of MODEL    8
 5845    HD3  PRO 102           HD3      PRO 102 -11.124   1.345   5.273
  Start of MODEL    8
 5846    H    GLN 103           H        GLN 103  -8.666   3.445   7.909
  Start of MODEL    8
 5847    HA   GLN 103           HA       GLN 103  -6.850   2.836  10.076
  Start of MODEL    8
 5848    HB2  GLN 103           HB2      GLN 103  -5.517   4.063   8.253
  Start of MODEL    8
 5849    HB3  GLN 103           HB3      GLN 103  -6.474   5.477   8.667
  Start of MODEL    8
 5850    HG3  GLN 103           HG2      GLN 103  -5.427   4.362  11.070
  Start of MODEL    8
 5851    HG2  GLN 103           HG3      GLN 103  -5.117   5.938  10.345
  Start of MODEL    8
 5852   HE21  GLN 103          HE21      GLN 103  -3.334   6.170   8.920
  Start of MODEL    8
 5853   HE22  GLN 103          HE22      GLN 103  -2.006   5.067   8.977
  Start of MODEL    8
 5854    H    GLU 104           H        GLU 104  -9.435   2.807  10.432
  Start of MODEL    8
 5855    HA   GLU 104           HA       GLU 104 -10.595   5.363  11.030
  Start of MODEL    8
 5856    HB2  GLU 104           HB2      GLU 104 -11.820   3.193  10.387
  Start of MODEL    8
 5857    HB3  GLU 104           HB3      GLU 104 -11.594   2.712  12.064
  Start of MODEL    8
 5858    HG2  GLU 104           HG2      GLU 104 -12.839   4.671  12.805
  Start of MODEL    8
 5859    HG3  GLU 104           HG3      GLU 104 -13.044   5.183  11.130
  Start of MODEL    8
 5860    H    SER 105           H        SER 105 -10.418   6.523  12.844
  Start of MODEL    8
 5861    HA   SER 105           HA       SER 105  -8.836   5.497  15.045
  Start of MODEL    8
 5862    HB2  SER 105           HB2      SER 105  -9.036   7.810  15.942
  Start of MODEL    8
 5863    HB3  SER 105           HB3      SER 105  -8.416   7.772  14.291
  Start of MODEL    8
 5864    HG   SER 105           HG       SER 105 -10.050   9.360  14.581
  Start of MODEL    9
 5865    HA2  GLY  -2           HA2      GLY  -2 -18.770  18.311  12.162
  Start of MODEL    9
 5866    HA3  GLY  -2           HA3      GLY  -2 -20.233  17.553  11.551
  Start of MODEL    9
 5867    H    SER  -1           H        SER  -1 -18.073  20.328  11.049
  Start of MODEL    9
 5868    HA   SER  -1           HA       SER  -1 -18.962  20.500   8.256
  Start of MODEL    9
 5869    HB2  SER  -1           HB2      SER  -1 -18.896  22.576   9.670
  Start of MODEL    9
 5870    HB3  SER  -1           HB3      SER  -1 -17.143  22.401   9.754
  Start of MODEL    9
 5871    HG   SER  -1           HG       SER  -1 -17.831  23.815   8.067
  Start of MODEL    9
 5872    H    HIS   0           H        HIS   0 -17.662  20.011   6.564
  Start of MODEL    9
 5873    HA   HIS   0           HA       HIS   0 -14.808  19.557   7.008
  Start of MODEL    9
 5874    HB3  HIS   0           HB2      HIS   0 -15.710  17.357   7.388
  Start of MODEL    9
 5875    HB2  HIS   0           HB3      HIS   0 -14.931  17.361   5.810
  Start of MODEL    9
 5876    HD1  HIS   0           HD1      HIS   0 -18.320  17.212   7.422
  Start of MODEL    9
 5877    HD2  HIS   0           HD2      HIS   0 -16.612  16.874   3.649
  Start of MODEL    9
 5878    HE1  HIS   0           HE1      HIS   0 -20.145  16.331   5.935
  Start of MODEL    9
 5879    HE2  HIS   0           HE2      HIS   0 -19.113  16.217   3.639
  Start of MODEL    9
 5880    H    MET   1           H        MET   1 -13.529  19.710   5.142
  Start of MODEL    9
 5881    HA   MET   1           HA       MET   1 -14.805  21.149   2.944
  Start of MODEL    9
 5882    HB2  MET   1           HB2      MET   1 -11.907  20.709   3.683
  Start of MODEL    9
 5883    HB3  MET   1           HB3      MET   1 -12.415  21.547   2.224
  Start of MODEL    9
 5884    HG2  MET   1           HG2      MET   1 -13.569  23.219   3.591
  Start of MODEL    9
 5885    HG3  MET   1           HG3      MET   1 -13.037  22.383   5.049
  Start of MODEL    9
 5886    HE3  MET   1           HE1      MET   1 -12.549  25.513   4.388
  Start of MODEL    9
 5887    HE2  MET   1           HE2      MET   1 -10.899  25.699   4.983
  Start of MODEL    9
 5888    HE1  MET   1           HE3      MET   1 -12.064  24.744   5.900
  Start of MODEL    9
 5889    H    SER   2           H        SER   2 -14.669  20.535   0.780
  Start of MODEL    9
 5890    HA   SER   2           HA       SER   2 -14.300  17.667   0.352
  Start of MODEL    9
 5891    HB2  SER   2           HB2      SER   2 -16.389  18.829  -0.417
  Start of MODEL    9
 5892    HB3  SER   2           HB3      SER   2 -15.406  19.725  -1.574
  Start of MODEL    9
 5893    HG   SER   2           HG       SER   2 -16.354  17.847  -2.494
  Start of MODEL    9
 5894    H    ALA   3           H        ALA   3 -12.405  16.944  -0.352
  Start of MODEL    9
 5895    HA   ALA   3           HA       ALA   3 -10.958  18.454  -2.408
  Start of MODEL    9
 5896    HB2  ALA   3           HB1      ALA   3  -8.827  18.172  -1.260
  Start of MODEL    9
 5897    HB1  ALA   3           HB2      ALA   3  -9.646  17.394   0.096
  Start of MODEL    9
 5898    HB3  ALA   3           HB3      ALA   3  -9.955  19.093  -0.263
  Start of MODEL    9
 5899    H    GLY   4           H        GLY   4 -12.503  16.272  -2.948
  Start of MODEL    9
 5900    HA3  GLY   4           HA2      GLY   4 -12.495  14.049  -3.628
  Start of MODEL    9
 5901    HA2  GLY   4           HA3      GLY   4 -10.905  13.857  -2.905
  Start of MODEL    9
 5902    H    GLU   5           H        GLU   5 -12.281  15.868  -5.520
  Start of MODEL    9
 5903    HA   GLU   5           HA       GLU   5 -10.083  14.979  -7.238
  Start of MODEL    9
 5904    HB3  GLU   5           HB2      GLU   5 -12.848  15.753  -8.175
  Start of MODEL    9
 5905    HB2  GLU   5           HB3      GLU   5 -12.375  14.092  -7.828
  Start of MODEL    9
 5906    HG2  GLU   5           HG2      GLU   5 -11.151  15.887  -9.908
  Start of MODEL    9
 5907    HG3  GLU   5           HG3      GLU   5 -10.633  14.243  -9.544
  Start of MODEL    9
 5908    HA   PRO   6           HA       PRO   6  -9.804  19.590  -6.894
  Start of MODEL    9
 5909    HB2  PRO   6           HB2      PRO   6  -7.158  19.754  -6.486
  Start of MODEL    9
 5910    HB3  PRO   6           HB3      PRO   6  -8.262  19.293  -5.181
  Start of MODEL    9
 5911    HG2  PRO   6           HG2      PRO   6  -6.602  17.524  -6.942
  Start of MODEL    9
 5912    HG3  PRO   6           HG3      PRO   6  -6.757  17.503  -5.176
  Start of MODEL    9
 5913    HD2  PRO   6           HD2      PRO   6  -8.154  15.823  -6.780
  Start of MODEL    9
 5914    HD3  PRO   6           HD3      PRO   6  -8.798  16.446  -5.241
  Start of MODEL    9
 5915    H    HIS   7           H        HIS   7  -7.808  20.956  -8.054
  Start of MODEL    9
 5916    HA   HIS   7           HA       HIS   7  -8.225  20.547 -10.837
  Start of MODEL    9
 5917    HB2  HIS   7           HB2      HIS   7  -7.757  22.758  -9.608
  Start of MODEL    9
 5918    HB3  HIS   7           HB3      HIS   7  -6.060  22.294  -9.667
  Start of MODEL    9
 5919    HD1  HIS   7           HD1      HIS   7  -8.927  23.237 -11.922
  Start of MODEL    9
 5920    HD2  HIS   7           HD2      HIS   7  -4.812  22.680 -12.102
  Start of MODEL    9
 5921    HE1  HIS   7           HE1      HIS   7  -8.230  24.100 -14.179
  Start of MODEL    9
 5922    HE2  HIS   7           HE2      HIS   7  -5.749  23.674 -14.298
  Start of MODEL    9
 5923    H    GLU   8           H        GLU   8  -7.251  19.086 -12.088
  Start of MODEL    9
 5924    HA   GLU   8           HA       GLU   8  -4.492  18.266 -11.427
  Start of MODEL    9
 5925    HB2  GLU   8           HB2      GLU   8  -6.361  16.477 -12.949
  Start of MODEL    9
 5926    HB3  GLU   8           HB3      GLU   8  -4.954  16.051 -11.987
  Start of MODEL    9
 5927    HG3  GLU   8           HG2      GLU   8  -6.737  17.206 -10.178
  Start of MODEL    9
 5928    HG2  GLU   8           HG3      GLU   8  -6.328  15.500 -10.339
  Start of MODEL    9
 5929    H    THR   9           H        THR   9  -3.333  17.295 -13.377
  Start of MODEL    9
 5930    HA   THR   9           HA       THR   9  -4.120  18.399 -15.935
  Start of MODEL    9
 5931    HB   THR   9           HB       THR   9  -2.900  20.276 -15.182
  Start of MODEL    9
 5932    HG1  THR   9           HG1      THR   9  -2.123  19.988 -17.151
  Start of MODEL    9
 5933   HG23  THR   9          HG21      THR   9  -0.836  20.316 -14.089
  Start of MODEL    9
 5934   HG22  THR   9          HG22      THR   9  -0.524  18.615 -14.425
  Start of MODEL    9
 5935   HG21  THR   9          HG23      THR   9  -1.765  19.070 -13.258
  Start of MODEL    9
 5936    H    ASP  10           H        ASP  10  -1.460  16.750 -14.211
  Start of MODEL    9
 5937    HA   ASP  10           HA       ASP  10  -1.419  14.736 -16.363
  Start of MODEL    9
 5938    HB2  ASP  10           HB2      ASP  10   1.098  15.597 -14.933
  Start of MODEL    9
 5939    HB3  ASP  10           HB3      ASP  10   0.946  14.654 -16.416
  Start of MODEL    9
 5940    H    CYS  11           H        CYS  11  -0.749  12.604 -15.679
  Start of MODEL    9
 5941    HA   CYS  11           HA       CYS  11  -0.435  12.170 -12.824
  Start of MODEL    9
 5942    HB3  CYS  11           HB2      CYS  11  -2.735  10.887 -14.315
  Start of MODEL    9
 5943    HB2  CYS  11           HB3      CYS  11  -2.888  12.215 -13.169
  Start of MODEL    9
 5944    H    SER  12           H        SER  12  -0.990  10.465 -15.933
  Start of MODEL    9
 5945    HA   SER  12           HA       SER  12   0.077   8.014 -15.322
  Start of MODEL    9
 5946    HB2  SER  12           HB2      SER  12   0.347   9.528 -17.922
  Start of MODEL    9
 5947    HB3  SER  12           HB3      SER  12   0.720   7.815 -17.717
  Start of MODEL    9
 5948    HG   SER  12           HG       SER  12  -1.416   8.165 -18.495
  Start of MODEL    9
 5949    H    GLU  13           H        GLU  13   1.845  10.988 -15.936
  Start of MODEL    9
 5950    HA   GLU  13           HA       GLU  13   4.387   9.828 -16.296
  Start of MODEL    9
 5951    HB2  GLU  13           HB2      GLU  13   3.653  12.551 -15.268
  Start of MODEL    9
 5952    HB3  GLU  13           HB3      GLU  13   5.276  12.075 -15.726
  Start of MODEL    9
 5953    HG3  GLU  13           HG2      GLU  13   3.914  13.411 -17.410
  Start of MODEL    9
 5954    HG2  GLU  13           HG3      GLU  13   2.969  11.942 -17.643
  Start of MODEL    9
 5955    H    ILE  14           H        ILE  14   2.736  11.066 -13.409
  Start of MODEL    9
 5956    HA   ILE  14           HA       ILE  14   4.842  10.577 -11.588
  Start of MODEL    9
 5957    HB   ILE  14           HB       ILE  14   1.856  10.769 -11.236
  Start of MODEL    9
 5958   HD12  ILE  14          HD11      ILE  14   3.345  13.876  -9.142
  Start of MODEL    9
 5959   HD11  ILE  14          HD12      ILE  14   3.635  12.250  -8.533
  Start of MODEL    9
 5960   HD13  ILE  14          HD13      ILE  14   1.990  12.776  -8.894
  Start of MODEL    9
 5961    H    LEU  15           H        LEU  15   2.176   8.485 -12.769
  Start of MODEL    9
 5962    HA   LEU  15           HA       LEU  15   2.891   6.303 -11.149
  Start of MODEL    9
 5963    HB2  LEU  15           HB2      LEU  15   1.745   6.083 -13.931
  Start of MODEL    9
 5964    HB3  LEU  15           HB3      LEU  15   1.517   4.995 -12.576
  Start of MODEL    9
 5965    HG   LEU  15           HG       LEU  15   0.373   7.787 -12.790
  Start of MODEL    9
 5966   HD12  LEU  15          HD11      LEU  15  -1.142   5.197 -12.833
  Start of MODEL    9
 5967   HD11  LEU  15          HD12      LEU  15  -0.593   6.001 -14.303
  Start of MODEL    9
 5968   HD13  LEU  15          HD13      LEU  15  -1.720   6.816 -13.221
  Start of MODEL    9
 5969   HD22  LEU  15          HD21      LEU  15  -0.924   7.148 -10.782
  Start of MODEL    9
 5970   HD21  LEU  15          HD22      LEU  15   0.810   7.245 -10.481
  Start of MODEL    9
 5971   HD23  LEU  15          HD23      LEU  15   0.034   5.672 -10.667
  Start of MODEL    9
 5972    H    ASP  16           H        ASP  16   3.649   7.145 -14.562
  Start of MODEL    9
 5973    HA   ASP  16           HA       ASP  16   5.367   5.233 -15.292
  Start of MODEL    9
 5974    HB3  ASP  16           HB2      ASP  16   6.101   8.144 -15.650
  Start of MODEL    9
 5975    HB2  ASP  16           HB3      ASP  16   4.789   7.371 -16.536
  Start of MODEL    9
 5976    H    HIS  17           H        HIS  17   6.167   7.677 -12.754
  Start of MODEL    9
 5977    HA   HIS  17           HA       HIS  17   8.907   6.789 -12.640
  Start of MODEL    9
 5978    HB3  HIS  17           HB2      HIS  17   9.223   8.297 -10.898
  Start of MODEL    9
 5979    HB2  HIS  17           HB3      HIS  17   7.585   8.108 -10.291
  Start of MODEL    9
 5980    HD1  HIS  17           HD1      HIS  17   7.407  10.656 -10.075
  Start of MODEL    9
 5981    HD2  HIS  17           HD2      HIS  17   7.912   9.319 -13.972
  Start of MODEL    9
 5982    HE1  HIS  17           HE1      HIS  17   6.879  12.629 -11.525
  Start of MODEL    9
 5983    HE2  HIS  17           HE2      HIS  17   7.298  11.831 -13.884
  Start of MODEL    9
 5984    H    LEU  18           H        LEU  18   6.081   6.640 -10.479
  Start of MODEL    9
 5985    HA   LEU  18           HA       LEU  18   6.843   4.926  -8.552
  Start of MODEL    9
 5986    HB2  LEU  18           HB2      LEU  18   4.255   5.209  -9.999
  Start of MODEL    9
 5987    HB3  LEU  18           HB3      LEU  18   4.431   3.868  -8.887
  Start of MODEL    9
 5988    HG   LEU  18           HG       LEU  18   5.184   5.701  -7.190
  Start of MODEL    9
 5989   HD11  LEU  18          HD11      LEU  18   3.616   7.330  -9.181
  Start of MODEL    9
 5990   HD13  LEU  18          HD12      LEU  18   5.341   7.507  -8.820
  Start of MODEL    9
 5991   HD12  LEU  18          HD13      LEU  18   4.133   7.867  -7.582
  Start of MODEL    9
 5992   HD21  LEU  18          HD21      LEU  18   2.359   5.229  -8.114
  Start of MODEL    9
 5993   HD23  LEU  18          HD22      LEU  18   2.753   6.146  -6.661
  Start of MODEL    9
 5994   HD22  LEU  18          HD23      LEU  18   3.218   4.451  -6.785
  Start of MODEL    9
 5995    H    TYR  19           H        TYR  19   6.403   3.971 -11.910
  Start of MODEL    9
 5996    HA   TYR  19           HA       TYR  19   6.545   1.155 -11.210
  Start of MODEL    9
 5997    HB3  TYR  19           HB2      TYR  19   6.529   2.347 -13.991
  Start of MODEL    9
 5998    HB2  TYR  19           HB3      TYR  19   5.070   2.047 -13.057
  Start of MODEL    9
 5999    HD1  TYR  19           HD1      TYR  19   3.980  -0.017 -13.275
  Start of MODEL    9
 6000    HD2  TYR  19           HD2      TYR  19   8.111   0.302 -14.287
  Start of MODEL    9
 6001    HE1  TYR  19           HE1      TYR  19   3.968  -2.343 -14.072
  Start of MODEL    9
 6002    HE2  TYR  19           HE2      TYR  19   8.119  -2.017 -15.081
  Start of MODEL    9
 6003    HH   TYR  19           HH       TYR  19   5.806  -3.643 -16.010
  Start of MODEL    9
 6004    H    GLU  20           H        GLU  20   8.361   3.062 -13.620
  Start of MODEL    9
 6005    HA   GLU  20           HA       GLU  20  10.543   1.268 -13.697
  Start of MODEL    9
 6006    HB2  GLU  20           HB2      GLU  20  10.652   4.178 -14.464
  Start of MODEL    9
 6007    HB3  GLU  20           HB3      GLU  20  11.614   2.858 -15.120
  Start of MODEL    9
 6008    HG3  GLU  20           HG2      GLU  20   8.682   3.371 -15.532
  Start of MODEL    9
 6009    HG2  GLU  20           HG3      GLU  20   9.496   1.892 -16.042
  Start of MODEL    9
 6010    H    PHE  21           H        PHE  21   9.866   3.974 -11.667
  Start of MODEL    9
 6011    HA   PHE  21           HA       PHE  21  12.484   4.600 -10.821
  Start of MODEL    9
 6012    HB3  PHE  21           HB2      PHE  21  10.087   4.993  -9.048
  Start of MODEL    9
 6013    HB2  PHE  21           HB3      PHE  21  10.211   5.905 -10.545
  Start of MODEL    9
 6014    HD1  PHE  21           HD1      PHE  21  12.784   4.949  -8.046
  Start of MODEL    9
 6015    HD2  PHE  21           HD2      PHE  21  10.668   8.078  -9.991
  Start of MODEL    9
 6016    HE1  PHE  21           HE1      PHE  21  14.237   6.610  -6.957
  Start of MODEL    9
 6017    HE2  PHE  21           HE2      PHE  21  12.109   9.748  -8.899
  Start of MODEL    9
 6018    HZ   PHE  21           HZ       PHE  21  13.901   9.013  -7.377
  Start of MODEL    9
 6019    H    LEU  22           H        LEU  22   9.957   2.646  -9.441
  Start of MODEL    9
 6020    HA   LEU  22           HA       LEU  22  11.827   1.747  -7.387
  Start of MODEL    9
 6021    HB2  LEU  22           HB2      LEU  22   9.916   0.481  -6.331
  Start of MODEL    9
 6022    HB3  LEU  22           HB3      LEU  22   9.894   2.231  -6.291
  Start of MODEL    9
 6023    HG   LEU  22           HG       LEU  22   8.071   2.382  -7.720
  Start of MODEL    9
 6024   HD13  LEU  22          HD11      LEU  22   6.616   0.260  -6.891
  Start of MODEL    9
 6025   HD12  LEU  22          HD12      LEU  22   6.894   1.727  -5.959
  Start of MODEL    9
 6026   HD11  LEU  22          HD13      LEU  22   7.894   0.306  -5.678
  Start of MODEL    9
 6027   HD21  LEU  22          HD21      LEU  22   8.754  -0.404  -8.601
  Start of MODEL    9
 6028   HD23  LEU  22          HD22      LEU  22   8.678   1.072  -9.561
  Start of MODEL    9
 6029   HD22  LEU  22          HD23      LEU  22   7.196   0.339  -8.955
  Start of MODEL    9
 6030    H    ASP  23           H        ASP  23  10.134   0.104 -10.128
  Start of MODEL    9
 6031    HA   ASP  23           HA       ASP  23  10.934  -2.469  -9.364
  Start of MODEL    9
 6032    HB2  ASP  23           HB2      ASP  23   9.227  -1.623 -11.151
  Start of MODEL    9
 6033    HB3  ASP  23           HB3      ASP  23  10.627  -1.618 -12.226
  Start of MODEL    9
 6034    H    LYS  24           H        LYS  24  12.726   0.085 -10.879
  Start of MODEL    9
 6035    HA   LYS  24           HA       LYS  24  14.783  -1.792 -11.746
  Start of MODEL    9
 6036    HB2  LYS  24           HB2      LYS  24  13.868   0.865 -12.620
  Start of MODEL    9
 6037    HB3  LYS  24           HB3      LYS  24  15.588   0.552 -12.757
  Start of MODEL    9
 6038    HG3  LYS  24           HG2      LYS  24  14.891  -1.601 -13.983
  Start of MODEL    9
 6039    HG2  LYS  24           HG3      LYS  24  14.739  -0.065 -14.837
  Start of MODEL    9
 6040    HD2  LYS  24           HD2      LYS  24  12.497  -1.549 -13.443
  Start of MODEL    9
 6041    HD3  LYS  24           HD3      LYS  24  12.338   0.005 -14.265
  Start of MODEL    9
 6042    HE2  LYS  24           HE2      LYS  24  13.019  -1.041 -16.371
  Start of MODEL    9
 6043    HE3  LYS  24           HE3      LYS  24  13.173  -2.593 -15.550
  Start of MODEL    9
 6044    HZ1  LYS  24           HZ1      LYS  24  10.663  -1.031 -15.836
  Start of MODEL    9
 6045    HZ3  LYS  24           HZ2      LYS  24  10.810  -2.520 -15.045
  Start of MODEL    9
 6046    HZ2  LYS  24           HZ3      LYS  24  11.069  -2.419 -16.713
  Start of MODEL    9
 6047    H    GLU  25           H        GLU  25  14.348  -0.923  -9.006
  Start of MODEL    9
 6048    HA   GLU  25           HA       GLU  25  15.480  -0.463  -7.134
  Start of MODEL    9
 6049    HB2  GLU  25           HB2      GLU  25  17.512  -1.270  -9.055
  Start of MODEL    9
 6050    HB3  GLU  25           HB3      GLU  25  18.135  -0.249  -7.764
  Start of MODEL    9
 6051    HG3  GLU  25           HG2      GLU  25  16.595  -2.811  -7.397
  Start of MODEL    9
 6052    HG2  GLU  25           HG3      GLU  25  17.225  -1.790  -6.104
  Start of MODEL    9
 6053    H    MET  26           H        MET  26  16.155   1.201  -5.968
  Start of MODEL    9
 6054    HA   MET  26           HA       MET  26  17.579   3.402  -6.320
  Start of MODEL    9
 6055    HB3  MET  26           HB2      MET  26  15.414   4.983  -7.023
  Start of MODEL    9
 6056    HB2  MET  26           HB3      MET  26  15.259   3.614  -8.108
  Start of MODEL    9
 6057    HG3  MET  26           HG2      MET  26  17.613   3.977  -8.815
  Start of MODEL    9
 6058    HG2  MET  26           HG3      MET  26  17.650   5.418  -7.803
  Start of MODEL    9
 6059    HE1  MET  26           HE1      MET  26  15.228   3.786 -10.536
  Start of MODEL    9
 6060    HE3  MET  26           HE2      MET  26  16.867   3.918 -11.174
  Start of MODEL    9
 6061    HE2  MET  26           HE3      MET  26  15.576   4.910 -11.850
  Start of MODEL    9
 6062    HA   PRO  27           HA       PRO  27  13.237   4.463  -3.729
  Start of MODEL    9
 6063    HB3  PRO  27           HB2      PRO  27  11.997   2.639  -2.967
  Start of MODEL    9
 6064    HB2  PRO  27           HB3      PRO  27  13.377   1.532  -3.078
  Start of MODEL    9
 6065    HG3  PRO  27           HG2      PRO  27  11.630   2.616  -5.235
  Start of MODEL    9
 6066    HG2  PRO  27           HG3      PRO  27  12.387   1.021  -5.099
  Start of MODEL    9
 6067    HD2  PRO  27           HD2      PRO  27  14.192   1.722  -6.269
  Start of MODEL    9
 6068    HD3  PRO  27           HD3      PRO  27  13.341   3.247  -6.570
  Start of MODEL    9
 6069    H    ASP  28           H        ASP  28  15.738   2.037  -2.804
  Start of MODEL    9
 6070    HA   ASP  28           HA       ASP  28  15.810   2.601  -0.089
  Start of MODEL    9
 6071    HB3  ASP  28           HB2      ASP  28  18.217   1.818  -0.182
  Start of MODEL    9
 6072    HB2  ASP  28           HB3      ASP  28  18.059   1.760  -1.935
  Start of MODEL    9
 6073    H    SER  29           H        SER  29  17.849   4.061  -2.626
  Start of MODEL    9
 6074    HA   SER  29           HA       SER  29  18.497   6.254  -0.773
  Start of MODEL    9
 6075    HB2  SER  29           HB2      SER  29  20.294   6.817  -2.394
  Start of MODEL    9
 6076    HB3  SER  29           HB3      SER  29  20.445   5.165  -1.787
  Start of MODEL    9
 6077    HG   SER  29           HG       SER  29  19.930   4.388  -3.713
  Start of MODEL    9
 6078    H    ASP  30           H        ASP  30  15.922   6.072  -1.869
  Start of MODEL    9
 6079    HA   ASP  30           HA       ASP  30  15.803   8.599  -3.296
  Start of MODEL    9
 6080    HB2  ASP  30           HB2      ASP  30  14.867   6.005  -4.470
  Start of MODEL    9
 6081    HB3  ASP  30           HB3      ASP  30  14.109   7.524  -4.932
  Start of MODEL    9
 6082    H    ALA  31           H        ALA  31  14.285   6.303  -1.146
  Start of MODEL    9
 6083    HA   ALA  31           HA       ALA  31  11.631   7.024  -1.293
  Start of MODEL    9
 6084    HB1  ALA  31           HB1      ALA  31  13.071   5.474   0.382
  Start of MODEL    9
 6085    HB3  ALA  31           HB2      ALA  31  11.376   5.898   0.620
  Start of MODEL    9
 6086    HB2  ALA  31           HB3      ALA  31  12.637   6.808   1.451
  Start of MODEL    9
 6087    H    VAL  32           H        VAL  32  14.287   8.941  -0.095
  Start of MODEL    9
 6088    HA   VAL  32           HA       VAL  32  12.640  10.879   1.240
  Start of MODEL    9
 6089    HB   VAL  32           HB       VAL  32  15.044  10.424   1.845
  Start of MODEL    9
 6090    H    LYS  33           H        LYS  33  13.651  10.272  -1.976
  Start of MODEL    9
 6091    HA   LYS  33           HA       LYS  33  13.026  12.966  -2.881
  Start of MODEL    9
 6092    HB2  LYS  33           HB2      LYS  33  13.905  10.531  -4.456
  Start of MODEL    9
 6093    HB3  LYS  33           HB3      LYS  33  13.730  12.159  -5.094
  Start of MODEL    9
 6094    HG3  LYS  33           HG2      LYS  33  16.080  11.352  -4.546
  Start of MODEL    9
 6095    HG2  LYS  33           HG3      LYS  33  15.626  11.529  -2.850
  Start of MODEL    9
 6096    HD3  LYS  33           HD2      LYS  33  15.119  13.890  -3.222
  Start of MODEL    9
 6097    HD2  LYS  33           HD3      LYS  33  15.535  13.719  -4.929
  Start of MODEL    9
 6098    HE2  LYS  33           HE2      LYS  33  17.413  13.297  -2.604
  Start of MODEL    9
 6099    HE3  LYS  33           HE3      LYS  33  17.829  13.132  -4.310
  Start of MODEL    9
 6100    HZ2  LYS  33           HZ1      LYS  33  18.515  15.273  -3.437
  Start of MODEL    9
 6101    HZ1  LYS  33           HZ2      LYS  33  16.926  15.633  -2.987
  Start of MODEL    9
 6102    HZ3  LYS  33           HZ3      LYS  33  17.324  15.475  -4.623
  Start of MODEL    9
 6103    H    PHE  34           H        PHE  34  11.658   9.859  -2.450
  Start of MODEL    9
 6104    HA   PHE  34           HA       PHE  34   9.634   9.853  -4.415
  Start of MODEL    9
 6105    HB3  PHE  34           HB2      PHE  34   8.551   8.385  -2.353
  Start of MODEL    9
 6106    HB2  PHE  34           HB3      PHE  34  10.271   8.316  -1.981
  Start of MODEL    9
 6107    HD1  PHE  34           HD1      PHE  34   7.712   6.712  -3.528
  Start of MODEL    9
 6108    HD2  PHE  34           HD2      PHE  34  11.737   7.851  -4.250
  Start of MODEL    9
 6109    HE1  PHE  34           HE1      PHE  34   7.871   4.977  -5.241
  Start of MODEL    9
 6110    HE2  PHE  34           HE2      PHE  34  11.911   6.110  -5.964
  Start of MODEL    9
 6111    HZ   PHE  34           HZ       PHE  34   9.983   4.668  -6.478
  Start of MODEL    9
 6112    H    GLU  35           H        GLU  35  10.043  12.007  -1.865
  Start of MODEL    9
 6113    HA   GLU  35           HA       GLU  35   7.171  12.302  -1.385
  Start of MODEL    9
 6114    HB2  GLU  35           HB2      GLU  35   9.460  12.640   0.230
  Start of MODEL    9
 6115    HB3  GLU  35           HB3      GLU  35   8.788  14.248   0.009
  Start of MODEL    9
 6116    HG3  GLU  35           HG2      GLU  35   7.997  12.914   2.017
  Start of MODEL    9
 6117    HG2  GLU  35           HG3      GLU  35   7.107  11.915   0.869
  Start of MODEL    9
 6118    H    HIS  36           H        HIS  36   9.718  13.787  -3.229
  Start of MODEL    9
 6119    HA   HIS  36           HA       HIS  36   8.385  16.356  -3.446
  Start of MODEL    9
 6120    HB2  HIS  36           HB2      HIS  36  10.613  15.478  -5.262
  Start of MODEL    9
 6121    HB3  HIS  36           HB3      HIS  36  10.215  17.098  -4.703
  Start of MODEL    9
 6122    HD1  HIS  36           HD1      HIS  36  10.606  17.342  -1.936
  Start of MODEL    9
 6123    HD2  HIS  36           HD2      HIS  36  12.707  14.426  -4.019
  Start of MODEL    9
 6124    HE1  HIS  36           HE1      HIS  36  12.573  16.767  -0.475
  Start of MODEL    9
 6125    HE2  HIS  36           HE2      HIS  36  13.779  14.931  -1.711
  Start of MODEL    9
 6126    H    HIS  37           H        HIS  37   9.312  13.876  -5.851
  Start of MODEL    9
 6127    HA   HIS  37           HA       HIS  37   7.809  14.891  -7.982
  Start of MODEL    9
 6128    HB2  HIS  37           HB2      HIS  37   8.284  11.936  -7.642
  Start of MODEL    9
 6129    HB3  HIS  37           HB3      HIS  37   8.258  12.887  -9.126
  Start of MODEL    9
 6130    HD1  HIS  37           HD1      HIS  37  10.386  14.336  -9.581
  Start of MODEL    9
 6131    HD2  HIS  37           HD2      HIS  37  10.641  11.739  -6.361
  Start of MODEL    9
 6132    HE1  HIS  37           HE1      HIS  37  12.804  14.215  -9.016
  Start of MODEL    9
 6133    HE2  HIS  37           HE2      HIS  37  12.983  12.509  -7.176
  Start of MODEL    9
 6134    H    PHE  38           H        PHE  38   6.904  12.980  -5.252
  Start of MODEL    9
 6135    HA   PHE  38           HA       PHE  38   4.386  12.092  -6.321
  Start of MODEL    9
 6136    HB2  PHE  38           HB2      PHE  38   5.757  11.875  -3.649
  Start of MODEL    9
 6137    HB3  PHE  38           HB3      PHE  38   4.113  11.295  -3.892
  Start of MODEL    9
 6138    HD1  PHE  38           HD1      PHE  38   4.919   9.051  -3.211
  Start of MODEL    9
 6139    HD2  PHE  38           HD2      PHE  38   6.445  10.993  -6.709
  Start of MODEL    9
 6140    HE1  PHE  38           HE1      PHE  38   5.782   6.915  -4.027
  Start of MODEL    9
 6141    HE2  PHE  38           HE2      PHE  38   7.267   8.838  -7.534
  Start of MODEL    9
 6142    HZ   PHE  38           HZ       PHE  38   6.935   6.800  -6.206
  Start of MODEL    9
 6143    H    GLU  39           H        GLU  39   5.518  14.808  -4.450
  Start of MODEL    9
 6144    HA   GLU  39           HA       GLU  39   2.839  15.541  -3.577
  Start of MODEL    9
 6145    HB2  GLU  39           HB2      GLU  39   4.902  15.854  -2.149
  Start of MODEL    9
 6146    HB3  GLU  39           HB3      GLU  39   5.391  17.128  -3.258
  Start of MODEL    9
 6147    HG3  GLU  39           HG2      GLU  39   2.829  17.105  -1.673
  Start of MODEL    9
 6148    HG2  GLU  39           HG3      GLU  39   3.411  18.407  -2.709
  Start of MODEL    9
 6149    H    GLU  40           H        GLU  40   5.112  16.383  -6.103
  Start of MODEL    9
 6150    HA   GLU  40           HA       GLU  40   4.169  18.904  -6.819
  Start of MODEL    9
 6151    HB2  GLU  40           HB2      GLU  40   5.187  18.554  -8.975
  Start of MODEL    9
 6152    HB3  GLU  40           HB3      GLU  40   6.222  17.873  -7.734
  Start of MODEL    9
 6153    HG2  GLU  40           HG2      GLU  40   6.269  15.975  -8.851
  Start of MODEL    9
 6154    HG3  GLU  40           HG3      GLU  40   4.538  15.796  -8.596
  Start of MODEL    9
 6155    H    SER  41           H        SER  41   2.830  15.728  -7.533
  Start of MODEL    9
 6156    HA   SER  41           HA       SER  41   0.523  17.069  -8.774
  Start of MODEL    9
 6157    HB3  SER  41           HB2      SER  41   0.709  14.383  -9.744
  Start of MODEL    9
 6158    HB2  SER  41           HB3      SER  41   2.242  15.211 -10.039
  Start of MODEL    9
 6159    HG   SER  41           HG       SER  41   0.735  15.520 -11.742
  Start of MODEL    9
 6160    H    SER  42           H        SER  42   0.138  16.870  -6.266
  Start of MODEL    9
 6161    HA   SER  42           HA       SER  42  -0.559  14.438  -5.097
  Start of MODEL    9
 6162    HB3  SER  42           HB2      SER  42  -2.153  16.918  -4.518
  Start of MODEL    9
 6163    HB2  SER  42           HB3      SER  42  -0.447  16.852  -4.080
  Start of MODEL    9
 6164    HG   SER  42           HG       SER  42  -1.806  16.143  -2.379
  Start of MODEL    9
 6165    HA   PRO  43           HA       PRO  43  -5.067  15.383  -6.941
  Start of MODEL    9
 6166    HB3  PRO  43           HB2      PRO  43  -5.559  17.002  -8.485
  Start of MODEL    9
 6167    HB2  PRO  43           HB3      PRO  43  -4.153  16.621  -9.489
  Start of MODEL    9
 6168    HG3  PRO  43           HG2      PRO  43  -4.293  18.221  -6.957
  Start of MODEL    9
 6169    HG2  PRO  43           HG3      PRO  43  -3.466  18.615  -8.478
  Start of MODEL    9
 6170    HD3  PRO  43           HD2      PRO  43  -2.101  17.643  -6.418
  Start of MODEL    9
 6171    HD2  PRO  43           HD3      PRO  43  -1.743  17.094  -8.069
  Start of MODEL    9
 6172    H    CYS  44           H        CYS  44  -2.201  14.137  -8.487
  Start of MODEL    9
 6173    HA   CYS  44           HA       CYS  44  -3.641  12.615 -10.471
  Start of MODEL    9
 6174    HB3  CYS  44           HB2      CYS  44  -0.782  12.790  -9.583
  Start of MODEL    9
 6175    HB2  CYS  44           HB3      CYS  44  -1.462  13.028 -11.189
  Start of MODEL    9
 6176    H    LEU  45           H        LEU  45  -2.155  12.132  -7.333
  Start of MODEL    9
 6177    HA   LEU  45           HA       LEU  45  -2.865   9.338  -7.247
  Start of MODEL    9
 6178    HB2  LEU  45           HB2      LEU  45  -2.119  10.852  -4.785
  Start of MODEL    9
 6179    HB3  LEU  45           HB3      LEU  45  -1.793   9.197  -5.217
  Start of MODEL    9
 6180    HG   LEU  45           HG       LEU  45  -0.392  11.587  -6.309
  Start of MODEL    9
 6181   HD13  LEU  45          HD11      LEU  45   0.336  11.182  -4.096
  Start of MODEL    9
 6182   HD12  LEU  45          HD12      LEU  45   1.568  10.536  -5.177
  Start of MODEL    9
 6183   HD11  LEU  45          HD13      LEU  45   0.432   9.446  -4.387
  Start of MODEL    9
 6184   HD23  LEU  45          HD21      LEU  45   1.116   9.840  -7.327
  Start of MODEL    9
 6185   HD22  LEU  45          HD22      LEU  45  -0.476   9.996  -8.068
  Start of MODEL    9
 6186   HD21  LEU  45          HD23      LEU  45  -0.147   8.665  -6.959
  Start of MODEL    9
 6187    H    GLU  46           H        GLU  46  -4.763  12.085  -6.972
  Start of MODEL    9
 6188    HA   GLU  46           HA       GLU  46  -6.502  10.867  -4.945
  Start of MODEL    9
 6189    HB3  GLU  46           HB2      GLU  46  -7.549  13.022  -4.719
  Start of MODEL    9
 6190    HB2  GLU  46           HB3      GLU  46  -6.693  13.642  -6.126
  Start of MODEL    9
 6191    HG2  GLU  46           HG2      GLU  46  -4.863  12.611  -4.146
  Start of MODEL    9
 6192    HG3  GLU  46           HG3      GLU  46  -4.920  14.193  -4.922
  Start of MODEL    9
 6193    H    LYS  47           H        LYS  47  -6.045  10.433  -7.933
  Start of MODEL    9
 6194    HA   LYS  47           HA       LYS  47  -8.772  10.727  -8.988
  Start of MODEL    9
 6195    HB2  LYS  47           HB2      LYS  47  -6.208   9.807 -10.275
  Start of MODEL    9
 6196    HB3  LYS  47           HB3      LYS  47  -7.759   9.434 -11.005
  Start of MODEL    9
 6197    HG3  LYS  47           HG2      LYS  47  -7.792  12.186 -10.419
  Start of MODEL    9
 6198    HG2  LYS  47           HG3      LYS  47  -7.751  11.396 -11.998
  Start of MODEL    9
 6199    HD2  LYS  47           HD2      LYS  47  -5.399  12.167 -10.298
  Start of MODEL    9
 6200    HD3  LYS  47           HD3      LYS  47  -5.284  11.248 -11.797
  Start of MODEL    9
 6201    HE2  LYS  47           HE2      LYS  47  -6.708  13.871 -11.805
  Start of MODEL    9
 6202    HE3  LYS  47           HE3      LYS  47  -4.946  13.850 -11.803
  Start of MODEL    9
 6203    HZ2  LYS  47           HZ1      LYS  47  -5.787  13.946 -14.047
  Start of MODEL    9
 6204    HZ1  LYS  47           HZ2      LYS  47  -6.707  12.549 -13.810
  Start of MODEL    9
 6205    HZ3  LYS  47           HZ3      LYS  47  -5.019  12.459 -13.798
  Start of MODEL    9
 6206    H    TYR  48           H        TYR  48  -6.365   8.214  -8.477
  Start of MODEL    9
 6207    HA   TYR  48           HA       TYR  48  -8.454   6.156  -8.403
  Start of MODEL    9
 6208    HB3  TYR  48           HB2      TYR  48  -6.706   4.562  -8.827
  Start of MODEL    9
 6209    HB2  TYR  48           HB3      TYR  48  -5.457   5.757  -8.475
  Start of MODEL    9
 6210    HD1  TYR  48           HD1      TYR  48  -4.869   7.472 -10.097
  Start of MODEL    9
 6211    HD2  TYR  48           HD2      TYR  48  -7.886   4.599 -10.973
  Start of MODEL    9
 6212    HE1  TYR  48           HE1      TYR  48  -4.793   8.123 -12.464
  Start of MODEL    9
 6213    HE2  TYR  48           HE2      TYR  48  -7.812   5.241 -13.345
  Start of MODEL    9
 6214    HH   TYR  48           HH       TYR  48  -5.608   6.545 -14.836
  Start of MODEL    9
 6215    H    GLY  49           H        GLY  49  -6.188   7.841  -6.359
  Start of MODEL    9
 6216    HA3  GLY  49           HA2      GLY  49  -7.133   6.255  -4.092
  Start of MODEL    9
 6217    HA2  GLY  49           HA3      GLY  49  -6.482   7.884  -4.003
  Start of MODEL    9
 6218    H    LEU  50           H        LEU  50  -4.160   7.618  -5.465
  Start of MODEL    9
 6219    HA   LEU  50           HA       LEU  50  -2.663   5.411  -4.293
  Start of MODEL    9
 6220    HB2  LEU  50           HB2      LEU  50  -1.913   7.503  -6.327
  Start of MODEL    9
 6221    HB3  LEU  50           HB3      LEU  50  -0.776   6.332  -5.691
  Start of MODEL    9
 6222    HG   LEU  50           HG       LEU  50  -3.232   5.756  -7.352
  Start of MODEL    9
 6223   HD12  LEU  50          HD11      LEU  50  -0.828   4.674  -8.411
  Start of MODEL    9
 6224   HD11  LEU  50          HD12      LEU  50  -0.545   6.373  -8.026
  Start of MODEL    9
 6225   HD13  LEU  50          HD13      LEU  50  -1.874   5.920  -9.091
  Start of MODEL    9
 6226   HD21  LEU  50          HD21      LEU  50  -1.686   4.010  -5.578
  Start of MODEL    9
 6227   HD23  LEU  50          HD22      LEU  50  -1.834   3.405  -7.227
  Start of MODEL    9
 6228   HD22  LEU  50          HD23      LEU  50  -3.283   3.784  -6.294
  Start of MODEL    9
 6229    H    GLU  51           H        GLU  51  -3.165   8.829  -3.735
  Start of MODEL    9
 6230    HA   GLU  51           HA       GLU  51  -0.790   9.659  -2.603
  Start of MODEL    9
 6231    HB3  GLU  51           HB2      GLU  51  -2.535  10.694  -0.788
  Start of MODEL    9
 6232    HB2  GLU  51           HB3      GLU  51  -3.656  10.251  -2.066
  Start of MODEL    9
 6233    HG2  GLU  51           HG2      GLU  51  -1.288  11.694  -2.993
  Start of MODEL    9
 6234    HG3  GLU  51           HG3      GLU  51  -2.988  11.902  -3.403
  Start of MODEL    9
 6235    H    GLN  52           H        GLN  52  -3.440   8.184  -0.853
  Start of MODEL    9
 6236    HA   GLN  52           HA       GLN  52  -2.300   7.714   1.613
  Start of MODEL    9
 6237    HB2  GLN  52           HB2      GLN  52  -4.642   7.352   1.317
  Start of MODEL    9
 6238    HB3  GLN  52           HB3      GLN  52  -4.365   6.116   0.099
  Start of MODEL    9
 6239    HG2  GLN  52           HG2      GLN  52  -4.338   4.528   1.633
  Start of MODEL    9
 6240    HG3  GLN  52           HG3      GLN  52  -3.079   5.357   2.542
  Start of MODEL    9
 6241   HE22  GLN  52          HE21      GLN  52  -6.981   5.611   3.671
  Start of MODEL    9
 6242   HE21  GLN  52          HE22      GLN  52  -6.534   4.971   2.130
  Start of MODEL    9
 6243    H    ALA  53           H        ALA  53  -1.942   5.800  -1.333
  Start of MODEL    9
 6244    HA   ALA  53           HA       ALA  53  -0.582   3.636  -0.039
  Start of MODEL    9
 6245    HB2  ALA  53           HB1      ALA  53  -0.168   2.800  -2.305
  Start of MODEL    9
 6246    HB1  ALA  53           HB2      ALA  53  -0.817   4.302  -2.966
  Start of MODEL    9
 6247    HB3  ALA  53           HB3      ALA  53  -1.862   3.218  -2.047
  Start of MODEL    9
 6248    H    VAL  54           H        VAL  54   0.533   6.174  -2.313
  Start of MODEL    9
 6249    HA   VAL  54           HA       VAL  54   3.247   5.471  -2.239
  Start of MODEL    9
 6250    HB   VAL  54           HB       VAL  54   3.776   7.459  -3.311
  Start of MODEL    9
 6251    H    LYS  55           H        LYS  55   1.389   7.440   0.043
  Start of MODEL    9
 6252    HA   LYS  55           HA       LYS  55   3.480   8.690   1.426
  Start of MODEL    9
 6253    HB3  LYS  55           HB2      LYS  55   2.018   8.636   3.413
  Start of MODEL    9
 6254    HB2  LYS  55           HB3      LYS  55   1.001   7.434   2.639
  Start of MODEL    9
 6255    HG3  LYS  55           HG2      LYS  55   0.415  10.031   2.715
  Start of MODEL    9
 6256    HG2  LYS  55           HG3      LYS  55  -0.123   8.945   1.435
  Start of MODEL    9
 6257    HD2  LYS  55           HD2      LYS  55   2.415  10.575   1.274
  Start of MODEL    9
 6258    HD3  LYS  55           HD3      LYS  55   1.609   9.702  -0.030
  Start of MODEL    9
 6259    HE3  LYS  55           HE2      LYS  55   0.457  12.065   1.444
  Start of MODEL    9
 6260    HE2  LYS  55           HE3      LYS  55  -0.283  11.218   0.086
  Start of MODEL    9
 6261    HZ1  LYS  55           HZ1      LYS  55   1.574  11.906  -1.304
  Start of MODEL    9
 6262    HZ3  LYS  55           HZ2      LYS  55   2.279  12.721   0.000
  Start of MODEL    9
 6263    HZ2  LYS  55           HZ3      LYS  55   0.801  13.251  -0.627
  Start of MODEL    9
 6264    H    LYS  56           H        LYS  56   2.210   5.481   1.538
  Start of MODEL    9
 6265    HA   LYS  56           HA       LYS  56   3.767   4.513   3.702
  Start of MODEL    9
 6266    HB2  LYS  56           HB2      LYS  56   2.089   3.161   1.625
  Start of MODEL    9
 6267    HB3  LYS  56           HB3      LYS  56   3.150   2.203   2.646
  Start of MODEL    9
 6268    HG2  LYS  56           HG2      LYS  56   0.909   2.269   3.566
  Start of MODEL    9
 6269    HG3  LYS  56           HG3      LYS  56   2.039   3.096   4.638
  Start of MODEL    9
 6270    HD2  LYS  56           HD2      LYS  56   0.950   4.935   2.729
  Start of MODEL    9
 6271    HD3  LYS  56           HD3      LYS  56  -0.356   4.101   3.564
  Start of MODEL    9
 6272    HE2  LYS  56           HE2      LYS  56   1.917   5.249   5.127
  Start of MODEL    9
 6273    HE3  LYS  56           HE3      LYS  56   0.654   6.322   4.512
  Start of MODEL    9
 6274    HZ3  LYS  56           HZ1      LYS  56  -0.991   4.991   5.683
  Start of MODEL    9
 6275    HZ2  LYS  56           HZ2      LYS  56   0.175   5.572   6.762
  Start of MODEL    9
 6276    HZ1  LYS  56           HZ3      LYS  56   0.215   3.956   6.264
  Start of MODEL    9
 6277    H    LEU  57           H        LEU  57   4.171   4.556   0.181
  Start of MODEL    9
 6278    HA   LEU  57           HA       LEU  57   6.411   2.925  -0.044
  Start of MODEL    9
 6279    HB3  LEU  57           HB2      LEU  57   5.635   5.319  -1.673
  Start of MODEL    9
 6280    HB2  LEU  57           HB3      LEU  57   4.946   3.728  -1.872
  Start of MODEL    9
 6281    HG   LEU  57           HG       LEU  57   7.223   4.877  -3.095
  Start of MODEL    9
 6282   HD13  LEU  57          HD11      LEU  57   6.157   2.081  -3.345
  Start of MODEL    9
 6283   HD12  LEU  57          HD12      LEU  57   7.052   3.025  -4.549
  Start of MODEL    9
 6284   HD11  LEU  57          HD13      LEU  57   5.424   3.521  -4.081
  Start of MODEL    9
 6285   HD21  LEU  57          HD21      LEU  57   7.884   2.606  -1.277
  Start of MODEL    9
 6286   HD23  LEU  57          HD22      LEU  57   8.803   4.070  -1.623
  Start of MODEL    9
 6287   HD22  LEU  57          HD23      LEU  57   8.710   2.785  -2.823
  Start of MODEL    9
 6288    H    VAL  58           H        VAL  58   6.119   6.417   0.469
  Start of MODEL    9
 6289    HA   VAL  58           HA       VAL  58   8.820   7.088   0.299
  Start of MODEL    9
 6290    HB   VAL  58           HB       VAL  58   7.012   8.393   2.324
  Start of MODEL    9
 6291    H    LYS  59           H        LYS  59   7.016   5.624   2.856
  Start of MODEL    9
 6292    HA   LYS  59           HA       LYS  59   8.492   5.994   5.110
  Start of MODEL    9
 6293    HB3  LYS  59           HB2      LYS  59   7.212   3.389   4.329
  Start of MODEL    9
 6294    HB2  LYS  59           HB3      LYS  59   6.271   4.820   4.714
  Start of MODEL    9
 6295    HG3  LYS  59           HG2      LYS  59   7.656   4.771   6.924
  Start of MODEL    9
 6296    HG2  LYS  59           HG3      LYS  59   7.888   3.074   6.480
  Start of MODEL    9
 6297    HD3  LYS  59           HD2      LYS  59   5.162   4.282   6.349
  Start of MODEL    9
 6298    HD2  LYS  59           HD3      LYS  59   5.812   3.804   7.925
  Start of MODEL    9
 6299    HE2  LYS  59           HE2      LYS  59   4.410   2.058   6.810
  Start of MODEL    9
 6300    HE3  LYS  59           HE3      LYS  59   5.623   1.971   5.526
  Start of MODEL    9
 6301    HZ2  LYS  59           HZ1      LYS  59   5.799   0.272   7.363
  Start of MODEL    9
 6302    HZ1  LYS  59           HZ2      LYS  59   6.295   1.527   8.382
  Start of MODEL    9
 6303    HZ3  LYS  59           HZ3      LYS  59   7.215   1.131   7.018
  Start of MODEL    9
 6304    H    ARG  60           H        ARG  60   8.997   3.612   2.554
  Start of MODEL    9
 6305    HA   ARG  60           HA       ARG  60  10.699   1.793   3.508
  Start of MODEL    9
 6306    HB2  ARG  60           HB2      ARG  60  10.982   3.325   0.949
  Start of MODEL    9
 6307    HB3  ARG  60           HB3      ARG  60  11.993   1.945   1.322
  Start of MODEL    9
 6308    HG3  ARG  60           HG2      ARG  60   8.993   1.928   1.039
  Start of MODEL    9
 6309    HG2  ARG  60           HG3      ARG  60   9.990   0.528   1.448
  Start of MODEL    9
 6310    HD3  ARG  60           HD2      ARG  60  11.067   0.572  -0.667
  Start of MODEL    9
 6311    HD2  ARG  60           HD3      ARG  60  10.387   2.148  -1.056
  Start of MODEL    9
 6312    HE   ARG  60           HE       ARG  60   8.257   0.417  -0.661
  Start of MODEL    9
 6313   HH21  ARG  60          HH11      ARG  60   7.119  -0.444  -2.436
  Start of MODEL    9
 6314   HH22  ARG  60          HH12      ARG  60   7.914  -0.612  -3.960
  Start of MODEL    9
 6315   HH21  ARG  60          HH21      ARG  60  10.079   0.065  -4.216
  Start of MODEL    9
 6316   HH22  ARG  60          HH22      ARG  60  10.938   0.757  -2.883
  Start of MODEL    9
 6317    H    ALA  61           H        ALA  61  12.101   4.746   2.095
  Start of MODEL    9
 6318    HA   ALA  61           HA       ALA  61  14.095   5.794   2.459
  Start of MODEL    9
 6319    HB3  ALA  61           HB1      ALA  61  14.412   6.623   4.641
  Start of MODEL    9
 6320    HB2  ALA  61           HB2      ALA  61  13.643   5.217   5.375
  Start of MODEL    9
 6321    HB1  ALA  61           HB3      ALA  61  12.672   6.386   4.480
  Start of MODEL    9
 6322    H    ALA  62           H        ALA  62  16.167   5.550   4.234
  Start of MODEL    9
 6323    HA   ALA  62           HA       ALA  62  17.232   2.911   3.562
  Start of MODEL    9
 6324    HB1  ALA  62           HB1      ALA  62  18.702   5.442   4.280
  Start of MODEL    9
 6325    HB3  ALA  62           HB2      ALA  62  18.466   4.808   2.652
  Start of MODEL    9
 6326    HB2  ALA  62           HB3      ALA  62  19.445   3.912   3.813
  Start of MODEL    9
 6327    H    GLY  63           H        GLY  63  17.264   1.453   5.157
  Start of MODEL    9
 6328    HA2  GLY  63           HA2      GLY  63  18.300   0.830   7.283
  Start of MODEL    9
 6329    HA3  GLY  63           HA3      GLY  63  17.811   2.400   7.908
  Start of MODEL    9
 6330    H    GLN  64           H        GLN  64  15.135   2.280   6.727
  Start of MODEL    9
 6331    HA   GLN  64           HA       GLN  64  13.843   0.822   8.827
  Start of MODEL    9
 6332    HB3  GLN  64           HB2      GLN  64  12.132   1.851   6.669
  Start of MODEL    9
 6333    HB2  GLN  64           HB3      GLN  64  13.212   3.053   7.357
  Start of MODEL    9
 6334    HG2  GLN  64           HG2      GLN  64  11.181   1.401   8.838
  Start of MODEL    9
 6335    HG3  GLN  64           HG3      GLN  64  12.348   2.475   9.607
  Start of MODEL    9
 6336   HE22  GLN  64          HE21      GLN  64  10.738   5.459   8.545
  Start of MODEL    9
 6337   HE21  GLN  64          HE22      GLN  64  12.285   4.767   8.884
  Start of MODEL    9
 6338    H    ASP  65           H        ASP  65  11.456   0.117   7.133
  Start of MODEL    9
 6339    HA   ASP  65           HA       ASP  65  12.331  -2.557   6.472
  Start of MODEL    9
 6340    HB3  ASP  65           HB2      ASP  65   9.903  -2.911   5.926
  Start of MODEL    9
 6341    HB2  ASP  65           HB3      ASP  65   9.620  -1.217   6.319
  Start of MODEL    9
 6342    H    ASP  66           H        ASP  66  13.444  -0.437   4.867
  Start of MODEL    9
 6343    HA   ASP  66           HA       ASP  66  12.552   0.308   2.562
  Start of MODEL    9
 6344    HB3  ASP  66           HB2      ASP  66  14.865   0.639   3.174
  Start of MODEL    9
 6345    HB2  ASP  66           HB3      ASP  66  14.752  -0.028   1.547
  Start of MODEL    9
 6346    H    VAL  67           H        VAL  67  11.928  -0.327   0.747
  Start of MODEL    9
 6347    HA   VAL  67           HA       VAL  67  10.676  -1.744  -0.635
  Start of MODEL    9
 6348    HB   VAL  67           HB       VAL  67  13.332  -3.065  -1.097
  Start of MODEL    9
 6349    HA   PRO  68           HA       PRO  68  10.260  -5.498   1.933
  Start of MODEL    9
 6350    HB2  PRO  68           HB2      PRO  68   7.589  -5.489   2.114
  Start of MODEL    9
 6351    HB3  PRO  68           HB3      PRO  68   8.601  -4.466   3.137
  Start of MODEL    9
 6352    HG2  PRO  68           HG2      PRO  68   7.032  -3.755   0.705
  Start of MODEL    9
 6353    HG3  PRO  68           HG3      PRO  68   7.281  -2.824   2.191
  Start of MODEL    9
 6354    HD3  PRO  68           HD2      PRO  68   9.219  -1.905   1.417
  Start of MODEL    9
 6355    HD2  PRO  68           HD3      PRO  68   8.656  -2.431  -0.182
  Start of MODEL    9
 6356    H    GLY  69           H        GLY  69   9.424  -4.670  -1.235
  Start of MODEL    9
 6357    HA2  GLY  69           HA2      GLY  69   9.276  -6.081  -3.075
  Start of MODEL    9
 6358    HA3  GLY  69           HA3      GLY  69   9.233  -7.460  -1.986
  Start of MODEL    9
 6359    H    ASP  70           H        ASP  70   7.040  -6.400  -0.384
  Start of MODEL    9
 6360    HA   ASP  70           HA       ASP  70   4.860  -7.239  -2.097
  Start of MODEL    9
 6361    HB3  ASP  70           HB2      ASP  70   4.492  -6.398   0.760
  Start of MODEL    9
 6362    HB2  ASP  70           HB3      ASP  70   5.331  -7.907   0.399
  Start of MODEL    9
 6363    H    LEU  71           H        LEU  71   6.208  -4.239  -1.008
  Start of MODEL    9
 6364    HA   LEU  71           HA       LEU  71   3.710  -2.806  -1.222
  Start of MODEL    9
 6365    HB2  LEU  71           HB2      LEU  71   5.678  -2.198   0.305
  Start of MODEL    9
 6366    HB3  LEU  71           HB3      LEU  71   6.452  -1.573  -1.142
  Start of MODEL    9
 6367    HG   LEU  71           HG       LEU  71   4.392  -0.106  -1.437
  Start of MODEL    9
 6368   HD12  LEU  71          HD11      LEU  71   6.339   0.977  -0.816
  Start of MODEL    9
 6369   HD11  LEU  71          HD12      LEU  71   6.401   0.184   0.759
  Start of MODEL    9
 6370   HD13  LEU  71          HD13      LEU  71   5.201   1.441   0.451
  Start of MODEL    9
 6371   HD22  LEU  71          HD21      LEU  71   3.959  -0.582   1.496
  Start of MODEL    9
 6372   HD21  LEU  71          HD22      LEU  71   3.069  -1.492   0.273
  Start of MODEL    9
 6373   HD23  LEU  71          HD23      LEU  71   2.925   0.264   0.344
  Start of MODEL    9
 6374    H    ARG  72           H        ARG  72   6.752  -2.993  -3.038
  Start of MODEL    9
 6375    HA   ARG  72           HA       ARG  72   6.071  -1.344  -5.178
  Start of MODEL    9
 6376    HB2  ARG  72           HB2      ARG  72   8.336  -2.419  -4.625
  Start of MODEL    9
 6377    HB3  ARG  72           HB3      ARG  72   7.724  -3.820  -5.476
  Start of MODEL    9
 6378    HG3  ARG  72           HG2      ARG  72   8.911  -1.450  -6.524
  Start of MODEL    9
 6379    HG2  ARG  72           HG3      ARG  72   7.276  -1.622  -7.161
  Start of MODEL    9
 6380    HD2  ARG  72           HD2      ARG  72   7.786  -3.898  -7.884
  Start of MODEL    9
 6381    HD3  ARG  72           HD3      ARG  72   8.885  -2.724  -8.612
  Start of MODEL    9
 6382    HE   ARG  72           HE       ARG  72  10.338  -3.483  -6.541
  Start of MODEL    9
 6383   HH11  ARG  72          HH11      ARG  72   8.469  -5.477  -8.741
  Start of MODEL    9
 6384   HH12  ARG  72          HH12      ARG  72   9.502  -6.852  -8.557
  Start of MODEL    9
 6385   HH21  ARG  72          HH21      ARG  72  11.687  -5.298  -6.313
  Start of MODEL    9
 6386   HH22  ARG  72          HH22      ARG  72  11.326  -6.752  -7.183
  Start of MODEL    9
 6387    H    ALA  73           H        ALA  73   5.942  -4.889  -5.042
  Start of MODEL    9
 6388    HA   ALA  73           HA       ALA  73   4.695  -5.427  -7.432
  Start of MODEL    9
 6389    HB2  ALA  73           HB1      ALA  73   3.885  -7.519  -6.401
  Start of MODEL    9
 6390    HB1  ALA  73           HB2      ALA  73   4.321  -6.885  -4.812
  Start of MODEL    9
 6391    HB3  ALA  73           HB3      ALA  73   5.575  -7.190  -6.014
  Start of MODEL    9
 6392    H    LYS  74           H        LYS  74   3.331  -4.343  -4.438
  Start of MODEL    9
 6393    HA   LYS  74           HA       LYS  74   0.587  -4.633  -5.221
  Start of MODEL    9
 6394    HB2  LYS  74           HB2      LYS  74   1.147  -4.669  -2.864
  Start of MODEL    9
 6395    HB3  LYS  74           HB3      LYS  74   1.884  -3.079  -2.971
  Start of MODEL    9
 6396    HG3  LYS  74           HG2      LYS  74  -0.622  -3.545  -2.090
  Start of MODEL    9
 6397    HG2  LYS  74           HG3      LYS  74  -0.940  -3.218  -3.795
  Start of MODEL    9
 6398    HD3  LYS  74           HD2      LYS  74  -0.089  -1.060  -3.674
  Start of MODEL    9
 6399    HD2  LYS  74           HD3      LYS  74   0.837  -1.402  -2.211
  Start of MODEL    9
 6400    HE3  LYS  74           HE2      LYS  74  -1.175  -1.473  -0.891
  Start of MODEL    9
 6401    HE2  LYS  74           HE3      LYS  74  -2.176  -1.319  -2.335
  Start of MODEL    9
 6402    HZ2  LYS  74           HZ1      LYS  74  -1.959   0.779  -1.137
  Start of MODEL    9
 6403    HZ1  LYS  74           HZ2      LYS  74  -1.297   0.887  -2.690
  Start of MODEL    9
 6404    HZ3  LYS  74           HZ3      LYS  74  -0.280   0.742  -1.346
  Start of MODEL    9
 6405    H    VAL  75           H        VAL  75   2.966  -2.052  -5.132
  Start of MODEL    9
 6406    HA   VAL  75           HA       VAL  75   1.249   0.040  -6.035
  Start of MODEL    9
 6407    HB   VAL  75           HB       VAL  75   4.262  -0.173  -6.278
  Start of MODEL    9
 6408    H    MET  76           H        MET  76   3.728  -1.894  -7.779
  Start of MODEL    9
 6409    HA   MET  76           HA       MET  76   3.264  -0.939 -10.325
  Start of MODEL    9
 6410    HB2  MET  76           HB2      MET  76   4.052  -3.668  -9.382
  Start of MODEL    9
 6411    HB3  MET  76           HB3      MET  76   4.017  -3.246 -11.080
  Start of MODEL    9
 6412    HG3  MET  76           HG2      MET  76   5.960  -2.598  -8.988
  Start of MODEL    9
 6413    HG2  MET  76           HG3      MET  76   5.519  -1.240 -10.018
  Start of MODEL    9
 6414    HE1  MET  76           HE1      MET  76   6.685  -4.879  -9.869
  Start of MODEL    9
 6415    HE3  MET  76           HE2      MET  76   7.428  -5.178 -11.441
  Start of MODEL    9
 6416    HE2  MET  76           HE3      MET  76   5.672  -5.090 -11.297
  Start of MODEL    9
 6417    H    GLY  77           H        GLY  77   1.700  -3.643  -8.677
  Start of MODEL    9
 6418    HA2  GLY  77           HA2      GLY  77  -0.049  -4.409 -10.731
  Start of MODEL    9
 6419    HA3  GLY  77           HA3      GLY  77  -0.303  -4.722  -9.025
  Start of MODEL    9
 6420    H    ARG  78           H        ARG  78  -0.297  -1.821  -8.352
  Start of MODEL    9
 6421    HA   ARG  78           HA       ARG  78  -3.073  -1.301  -8.818
  Start of MODEL    9
 6422    HB2  ARG  78           HB2      ARG  78  -0.881   0.343  -7.573
  Start of MODEL    9
 6423    HB3  ARG  78           HB3      ARG  78  -2.555   0.863  -7.662
  Start of MODEL    9
 6424    HG3  ARG  78           HG2      ARG  78  -1.496  -0.392  -5.535
  Start of MODEL    9
 6425    HG2  ARG  78           HG3      ARG  78  -2.088  -1.785  -6.444
  Start of MODEL    9
 6426    HD3  ARG  78           HD2      ARG  78  -4.310  -0.698  -6.581
  Start of MODEL    9
 6427    HD2  ARG  78           HD3      ARG  78  -3.696   0.608  -5.564
  Start of MODEL    9
 6428    HE   ARG  78           HE       ARG  78  -3.898  -0.755  -3.735
  Start of MODEL    9
 6429   HH12  ARG  78          HH11      ARG  78  -4.626  -4.154  -5.743
  Start of MODEL    9
 6430   HH11  ARG  78          HH12      ARG  78  -4.154  -2.737  -6.616
  Start of MODEL    9
 6431   HH22  ARG  78          HH21      ARG  78  -4.833  -4.094  -3.467
  Start of MODEL    9
 6432   HH21  ARG  78          HH22      ARG  78  -4.518  -2.629  -2.599
  Start of MODEL    9
 6433    H    LEU  79           H        LEU  79   0.067  -0.046  -9.947
  Start of MODEL    9
 6434    HA   LEU  79           HA       LEU  79  -1.032   2.016 -11.557
  Start of MODEL    9
 6435    HB3  LEU  79           HB2      LEU  79   1.579   0.518 -11.715
  Start of MODEL    9
 6436    HB2  LEU  79           HB3      LEU  79   1.303   2.159 -11.158
  Start of MODEL    9
 6437    HG   LEU  79           HG       LEU  79   1.285   1.135 -13.996
  Start of MODEL    9
 6438   HD12  LEU  79          HD11      LEU  79   3.324   1.962 -14.088
  Start of MODEL    9
 6439   HD11  LEU  79          HD12      LEU  79   3.231   2.368 -12.373
  Start of MODEL    9
 6440   HD13  LEU  79          HD13      LEU  79   2.739   3.548 -13.588
  Start of MODEL    9
 6441   HD21  LEU  79          HD21      LEU  79   0.001   3.566 -12.867
  Start of MODEL    9
 6442   HD23  LEU  79          HD22      LEU  79  -0.492   2.549 -14.219
  Start of MODEL    9
 6443   HD22  LEU  79          HD23      LEU  79   0.825   3.700 -14.420
  Start of MODEL    9
 6444    H    ASP  80           H        ASP  80   0.150  -1.249 -12.402
  Start of MODEL    9
 6445    HA   ASP  80           HA       ASP  80  -0.644  -1.370 -15.021
  Start of MODEL    9
 6446    HB3  ASP  80           HB2      ASP  80  -0.765  -3.599 -12.948
  Start of MODEL    9
 6447    HB2  ASP  80           HB3      ASP  80   0.658  -3.129 -13.878
  Start of MODEL    9
 6448    H    LEU  81           H        LEU  81  -2.606  -1.559 -12.107
  Start of MODEL    9
 6449    HA   LEU  81           HA       LEU  81  -4.983  -2.393 -13.505
  Start of MODEL    9
 6450    HB2  LEU  81           HB2      LEU  81  -5.053  -3.187 -11.373
  Start of MODEL    9
 6451    HB3  LEU  81           HB3      LEU  81  -4.118  -1.859 -10.730
  Start of MODEL    9
 6452    HG   LEU  81           HG       LEU  81  -6.031  -0.474 -10.532
  Start of MODEL    9
 6453   HD11  LEU  81          HD11      LEU  81  -5.629  -2.286  -8.857
  Start of MODEL    9
 6454   HD13  LEU  81          HD12      LEU  81  -6.870  -3.235  -9.678
  Start of MODEL    9
 6455   HD12  LEU  81          HD13      LEU  81  -7.292  -1.697  -8.924
  Start of MODEL    9
 6456   HD23  LEU  81          HD21      LEU  81  -7.630  -0.585 -12.059
  Start of MODEL    9
 6457   HD22  LEU  81          HD22      LEU  81  -8.237  -2.023 -11.235
  Start of MODEL    9
 6458   HD21  LEU  81          HD23      LEU  81  -7.109  -2.186 -12.581
  Start of MODEL    9
 6459    H    ILE  82           H        ILE  82  -3.549   0.493 -12.174
  Start of MODEL    9
 6460    HA   ILE  82           HA       ILE  82  -5.700   2.300 -12.605
  Start of MODEL    9
 6461    HB   ILE  82           HB       ILE  82  -2.744   2.662 -12.196
  Start of MODEL    9
 6462   HD13  ILE  82          HD11      ILE  82  -2.666   2.468  -9.308
  Start of MODEL    9
 6463   HD12  ILE  82          HD12      ILE  82  -3.391   4.022  -8.903
  Start of MODEL    9
 6464   HD11  ILE  82          HD13      ILE  82  -2.232   3.909 -10.229
  Start of MODEL    9
 6465    H    ARG  83           H        ARG  83  -2.706   1.764 -14.479
  Start of MODEL    9
 6466    HA   ARG  83           HA       ARG  83  -3.282   3.416 -16.642
  Start of MODEL    9
 6467    HB3  ARG  83           HB2      ARG  83  -1.064   2.519 -16.198
  Start of MODEL    9
 6468    HB2  ARG  83           HB3      ARG  83  -1.562   2.158 -17.842
  Start of MODEL    9
 6469    HG2  ARG  83           HG2      ARG  83  -0.457   0.383 -16.124
  Start of MODEL    9
 6470    HG3  ARG  83           HG3      ARG  83  -2.172   0.074 -15.858
  Start of MODEL    9
 6471    HD2  ARG  83           HD2      ARG  83  -2.455  -0.844 -17.885
  Start of MODEL    9
 6472    HD3  ARG  83           HD3      ARG  83  -1.411   0.345 -18.663
  Start of MODEL    9
 6473    HE   ARG  83           HE       ARG  83   0.194  -1.389 -17.160
  Start of MODEL    9
 6474   HH11  ARG  83          HH11      ARG  83  -1.825  -1.463 -20.022
  Start of MODEL    9
 6475   HH12  ARG  83          HH12      ARG  83  -0.925  -2.738 -20.771
  Start of MODEL    9
 6476   HH21  ARG  83          HH21      ARG  83   1.372  -3.065 -18.153
  Start of MODEL    9
 6477   HH22  ARG  83          HH22      ARG  83   0.889  -3.648 -19.712
  Start of MODEL    9
 6478    H    SER  84           H        SER  84  -4.256   0.074 -16.052
  Start of MODEL    9
 6479    HA   SER  84           HA       SER  84  -5.382  -0.212 -18.700
  Start of MODEL    9
 6480    HB2  SER  84           HB2      SER  84  -4.282  -2.116 -17.515
  Start of MODEL    9
 6481    HB3  SER  84           HB3      SER  84  -5.612  -2.103 -16.351
  Start of MODEL    9
 6482    HG   SER  84           HG       SER  84  -5.953  -3.619 -18.031
  Start of MODEL    9
 6483    H    GLY  85           H        GLY  85  -6.543   0.352 -15.417
  Start of MODEL    9
 6484    HA2  GLY  85           HA2      GLY  85  -9.084   1.254 -16.452
  Start of MODEL    9
 6485    HA3  GLY  85           HA3      GLY  85  -9.179  -0.193 -15.456
  Start of MODEL    9
 6486    H    GLN  86           H        GLN  86 -10.236   0.645 -13.672
  Start of MODEL    9
 6487    HA   GLN  86           HA       GLN  86  -8.725   2.560 -12.091
  Start of MODEL    9
 6488    HB2  GLN  86           HB2      GLN  86 -11.714   2.756 -12.489
  Start of MODEL    9
 6489    HB3  GLN  86           HB3      GLN  86 -10.696   3.856 -11.566
  Start of MODEL    9
 6490    HG3  GLN  86           HG2      GLN  86 -11.064   3.615 -14.501
  Start of MODEL    9
 6491    HG2  GLN  86           HG3      GLN  86  -9.489   4.125 -13.899
  Start of MODEL    9
 6492   HE21  GLN  86          HE21      GLN  86 -12.897   4.914 -14.046
  Start of MODEL    9
 6493   HE22  GLN  86          HE22      GLN  86 -12.722   6.587 -13.649
  Start of MODEL    9
 6494    H    SER  87           H        SER  87 -10.805   2.724 -10.090
  Start of MODEL    9
 6495    HA   SER  87           HA       SER  87 -11.359   1.753  -8.125
  Start of MODEL    9
 6496    HB3  SER  87           HB2      SER  87 -11.794  -0.945  -9.120
  Start of MODEL    9
 6497    HB2  SER  87           HB3      SER  87 -12.523   0.276 -10.164
  Start of MODEL    9
 6498    HG   SER  87           HG       SER  87 -13.931  -0.389  -8.477
  Start of MODEL    9
 6499    H    VAL  88           H        VAL  88  -9.658   1.623  -6.794
  Start of MODEL    9
 6500    HA   VAL  88           HA       VAL  88  -8.059  -0.821  -6.844
  Start of MODEL    9
 6501    HB   VAL  88           HB       VAL  88  -6.070   0.559  -6.093
  Start of MODEL    9
 6502    HA   PRO  89           HA       PRO  89  -9.752  -0.201  -2.636
  Start of MODEL    9
 6503    HB2  PRO  89           HB2      PRO  89 -10.501  -2.983  -2.706
  Start of MODEL    9
 6504    HB3  PRO  89           HB3      PRO  89 -11.553  -1.561  -2.719
  Start of MODEL    9
 6505    HG3  PRO  89           HG2      PRO  89 -11.733  -1.575  -5.003
  Start of MODEL    9
 6506    HG2  PRO  89           HG3      PRO  89 -11.264  -3.271  -4.846
  Start of MODEL    9
 6507    HD3  PRO  89           HD2      PRO  89  -9.895  -1.552  -6.360
  Start of MODEL    9
 6508    HD2  PRO  89           HD3      PRO  89  -9.075  -2.810  -5.413
  Start of MODEL    9
 6509    H    GLU  90           H        GLU  90  -9.430  -1.665  -0.636
  Start of MODEL    9
 6510    HA   GLU  90           HA       GLU  90  -7.991  -2.537   0.876
  Start of MODEL    9
 6511    HB2  GLU  90           HB2      GLU  90  -7.141  -4.128  -1.518
  Start of MODEL    9
 6512    HB3  GLU  90           HB3      GLU  90  -6.609  -4.471   0.113
  Start of MODEL    9
 6513    HG2  GLU  90           HG2      GLU  90  -9.512  -4.399  -0.640
  Start of MODEL    9
 6514    HG3  GLU  90           HG3      GLU  90  -8.525  -5.850  -0.805
  Start of MODEL    9
 6515    H    HIS  91           H        HIS  91  -7.051  -0.293   0.813
  Start of MODEL    9
 6516    HA   HIS  91           HA       HIS  91  -4.167  -0.505   0.405
  Start of MODEL    9
 6517    HB3  HIS  91           HB2      HIS  91  -4.947   0.493  -1.680
  Start of MODEL    9
 6518    HB2  HIS  91           HB3      HIS  91  -4.054   1.683  -0.740
  Start of MODEL    9
 6519    HD1  HIS  91           HD1      HIS  91  -7.656   0.735  -1.491
  Start of MODEL    9
 6520    HD2  HIS  91           HD2      HIS  91  -5.386   4.021  -0.344
  Start of MODEL    9
 6521    HE1  HIS  91           HE1      HIS  91  -9.241   2.687  -1.509
  Start of MODEL    9
 6522    HE2  HIS  91           HE2      HIS  91  -7.866   4.647  -0.729
  Start of MODEL    9
 6523    H    ASP  92           H        ASP  92  -5.578  -0.582   2.809
  Start of MODEL    9
 6524    HA   ASP  92           HA       ASP  92  -5.632   2.017   4.039
  Start of MODEL    9
 6525    HB2  ASP  92           HB2      ASP  92  -5.819  -0.777   5.190
  Start of MODEL    9
 6526    HB3  ASP  92           HB3      ASP  92  -5.961   0.688   6.158
  Start of MODEL    9
 6527    H    VAL  93           H        VAL  93  -3.681  -0.883   4.786
  Start of MODEL    9
 6528    HA   VAL  93           HA       VAL  93  -1.499   0.879   5.625
  Start of MODEL    9
 6529    HB   VAL  93           HB       VAL  93  -1.733  -1.990   6.475
  Start of MODEL    9
 6530    H    ALA  94           H        ALA  94  -2.429  -1.007   3.104
  Start of MODEL    9
 6531    HA   ALA  94           HA       ALA  94  -1.371  -1.906   1.313
  Start of MODEL    9
 6532    HB2  ALA  94           HB1      ALA  94   1.202  -0.760   2.376
  Start of MODEL    9
 6533    HB1  ALA  94           HB2      ALA  94  -0.008   0.202   1.527
  Start of MODEL    9
 6534    HB3  ALA  94           HB3      ALA  94   0.787  -1.141   0.705
  Start of MODEL    9
 6535    H    ALA  95           H        ALA  95  -1.132  -3.028   4.288
  Start of MODEL    9
 6536    HA   ALA  95           HA       ALA  95   0.409  -5.377   3.474
  Start of MODEL    9
 6537    HB2  ALA  95           HB1      ALA  95   1.437  -5.536   5.686
  Start of MODEL    9
 6538    HB1  ALA  95           HB2      ALA  95   0.661  -4.024   6.157
  Start of MODEL    9
 6539    HB3  ALA  95           HB3      ALA  95   1.879  -4.030   4.882
  Start of MODEL    9
 6540    H    ALA  96           H        ALA  96  -1.789  -4.038   5.934
  Start of MODEL    9
 6541    HA   ALA  96           HA       ALA  96  -3.283  -6.577   5.893
  Start of MODEL    9
 6542    HB1  ALA  96           HB1      ALA  96  -2.596  -4.961   8.346
  Start of MODEL    9
 6543    HB3  ALA  96           HB2      ALA  96  -1.945  -6.543   7.920
  Start of MODEL    9
 6544    HB2  ALA  96           HB3      ALA  96  -3.656  -6.371   8.312
  Start of MODEL    9
 6545    HA   PRO  97           HA       PRO  97  -6.110  -2.952   5.238
  Start of MODEL    9
 6546    HB2  PRO  97           HB2      PRO  97  -7.112  -3.646   2.850
  Start of MODEL    9
 6547    HB3  PRO  97           HB3      PRO  97  -5.542  -2.850   2.999
  Start of MODEL    9
 6548    HG3  PRO  97           HG2      PRO  97  -4.895  -4.743   1.828
  Start of MODEL    9
 6549    HG2  PRO  97           HG3      PRO  97  -6.170  -5.738   2.552
  Start of MODEL    9
 6550    HD3  PRO  97           HD2      PRO  97  -3.471  -5.107   3.572
  Start of MODEL    9
 6551    HD2  PRO  97           HD3      PRO  97  -4.528  -6.481   3.945
  Start of MODEL    9
 6552    H    SER  98           H        SER  98  -8.346  -2.871   5.508
  Start of MODEL    9
 6553    HA   SER  98           HA       SER  98  -9.919  -5.310   5.410
  Start of MODEL    9
 6554    HB2  SER  98           HB2      SER  98  -8.900  -5.346   7.677
  Start of MODEL    9
 6555    HB3  SER  98           HB3      SER  98  -9.631  -3.776   8.009
  Start of MODEL    9
 6556    HG   SER  98           HG       SER  98 -10.903  -5.499   8.811
  Start of MODEL    9
 6557    H    SER  99           H        SER  99 -10.625  -3.723   3.660
  Start of MODEL    9
 6558    HA   SER  99           HA       SER  99 -12.334  -1.564   4.622
  Start of MODEL    9
 6559    HB3  SER  99           HB2      SER  99 -10.919  -1.101   2.685
  Start of MODEL    9
 6560    HB2  SER  99           HB3      SER  99 -12.622  -1.025   2.221
  Start of MODEL    9
 6561    HG   SER  99           HG       SER  99 -11.367  -2.212   0.716
  Start of MODEL    9
 6562    H    SER 100           H        SER 100 -12.666  -4.525   2.649
  Start of MODEL    9
 6563    HA   SER 100           HA       SER 100 -15.423  -4.783   3.594
  Start of MODEL    9
 6564    HB2  SER 100           HB2      SER 100 -16.197  -5.319   1.272
  Start of MODEL    9
 6565    HB3  SER 100           HB3      SER 100 -15.706  -3.639   1.486
  Start of MODEL    9
 6566    HG   SER 100           HG       SER 100 -13.984  -3.960   0.251
  Start of MODEL    9
 6567    H    ALA 101           H        ALA 101 -12.935  -6.303   1.523
  Start of MODEL    9
 6568    HA   ALA 101           HA       ALA 101 -13.605  -8.891   2.779
  Start of MODEL    9
 6569    HB2  ALA 101           HB1      ALA 101 -13.033  -9.984   0.652
  Start of MODEL    9
 6570    HB1  ALA 101           HB2      ALA 101 -12.799  -8.399  -0.087
  Start of MODEL    9
 6571    HB3  ALA 101           HB3      ALA 101 -14.396  -8.876   0.487
  Start of MODEL    9
 6572    HA   PRO 102           HA       PRO 102  -9.212  -7.811   3.933
  Start of MODEL    9
 6573    HB3  PRO 102           HB2      PRO 102  -9.073  -8.463   6.144
  Start of MODEL    9
 6574    HB2  PRO 102           HB3      PRO 102  -9.992  -9.950   5.874
  Start of MODEL    9
 6575    HG2  PRO 102           HG2      PRO 102 -11.601  -8.585   6.893
  Start of MODEL    9
 6576    HG3  PRO 102           HG3      PRO 102 -10.984  -7.128   6.088
  Start of MODEL    9
 6577    HD2  PRO 102           HD2      PRO 102 -12.669  -9.337   4.970
  Start of MODEL    9
 6578    HD3  PRO 102           HD3      PRO 102 -12.776  -7.584   4.693
  Start of MODEL    9
 6579    H    GLN 103           H        GLN 103 -10.633 -11.098   3.973
  Start of MODEL    9
 6580    HA   GLN 103           HA       GLN 103  -8.686 -12.035   2.057
  Start of MODEL    9
 6581    HB3  GLN 103           HB2      GLN 103  -8.741 -13.409   4.741
  Start of MODEL    9
 6582    HB2  GLN 103           HB3      GLN 103  -7.570 -12.164   4.351
  Start of MODEL    9
 6583    HG2  GLN 103           HG2      GLN 103  -7.873 -14.897   3.180
  Start of MODEL    9
 6584    HG3  GLN 103           HG3      GLN 103  -6.995 -13.623   2.346
  Start of MODEL    9
 6585   HE22  GLN 103          HE21      GLN 103  -5.420 -15.421   5.638
  Start of MODEL    9
 6586   HE21  GLN 103          HE22      GLN 103  -7.080 -15.634   5.206
  Start of MODEL    9
 6587    H    GLU 104           H        GLU 104 -11.257 -11.898   1.526
  Start of MODEL    9
 6588    HA   GLU 104           HA       GLU 104 -12.688 -14.292   2.277
  Start of MODEL    9
 6589    HB3  GLU 104           HB2      GLU 104 -13.489 -12.399   0.072
  Start of MODEL    9
 6590    HB2  GLU 104           HB3      GLU 104 -13.696 -11.973   1.765
  Start of MODEL    9
 6591    HG3  GLU 104           HG2      GLU 104 -15.107 -13.953   2.084
  Start of MODEL    9
 6592    HG2  GLU 104           HG3      GLU 104 -14.922 -14.346   0.375
  Start of MODEL    9
 6593    H    SER 105           H        SER 105 -12.462 -16.206   1.318
  Start of MODEL    9
 6594    HA   SER 105           HA       SER 105 -10.983 -16.436  -1.164
  Start of MODEL    9
 6595    HB3  SER 105           HB2      SER 105 -10.482 -18.016   0.617
  Start of MODEL    9
 6596    HB2  SER 105           HB3      SER 105 -11.165 -18.884  -0.758
  Start of MODEL    9
 6597    HG   SER 105           HG       SER 105 -12.094 -19.537   1.235
  Start of MODEL   10
 6598    HA3  GLY  -2           HA2      GLY  -2 -20.170  20.882  11.993
  Start of MODEL   10
 6599    HA2  GLY  -2           HA3      GLY  -2 -19.045  19.639  12.516
  Start of MODEL   10
 6600    H    SER  -1           H        SER  -1 -16.799  19.830  11.825
  Start of MODEL   10
 6601    HA   SER  -1           HA       SER  -1 -16.329  21.576   9.523
  Start of MODEL   10
 6602    HB2  SER  -1           HB2      SER  -1 -14.642  21.426  11.381
  Start of MODEL   10
 6603    HB3  SER  -1           HB3      SER  -1 -14.359  19.749  10.917
  Start of MODEL   10
 6604    HG   SER  -1           HG       SER  -1 -13.676  22.109   9.588
  Start of MODEL   10
 6605    H    HIS   0           H        HIS   0 -15.927  20.841   7.471
  Start of MODEL   10
 6606    HA   HIS   0           HA       HIS   0 -16.217  17.938   7.014
  Start of MODEL   10
 6607    HB2  HIS   0           HB2      HIS   0 -17.334  20.240   5.400
  Start of MODEL   10
 6608    HB3  HIS   0           HB3      HIS   0 -17.293  18.577   4.822
  Start of MODEL   10
 6609    HD1  HIS   0           HD1      HIS   0 -18.876  16.869   6.013
  Start of MODEL   10
 6610    HD2  HIS   0           HD2      HIS   0 -19.344  20.817   7.227
  Start of MODEL   10
 6611    HE1  HIS   0           HE1      HIS   0 -21.055  16.934   7.267
  Start of MODEL   10
 6612    HE2  HIS   0           HE2      HIS   0 -21.356  19.349   7.922
  Start of MODEL   10
 6613    H    MET   1           H        MET   1 -14.808  16.972   5.627
  Start of MODEL   10
 6614    HA   MET   1           HA       MET   1 -12.663  18.670   4.530
  Start of MODEL   10
 6615    HB2  MET   1           HB2      MET   1 -12.681  15.754   5.328
  Start of MODEL   10
 6616    HB3  MET   1           HB3      MET   1 -11.345  16.519   4.478
  Start of MODEL   10
 6617    HG3  MET   1           HG2      MET   1 -12.380  17.294   7.198
  Start of MODEL   10
 6618    HG2  MET   1           HG3      MET   1 -11.047  18.069   6.346
  Start of MODEL   10
 6619    HE1  MET   1           HE1      MET   1  -8.663  17.356   6.464
  Start of MODEL   10
 6620    HE3  MET   1           HE2      MET   1  -9.092  16.159   5.241
  Start of MODEL   10
 6621    HE2  MET   1           HE3      MET   1  -8.126  15.685   6.639
  Start of MODEL   10
 6622    H    SER   2           H        SER   2 -12.037  18.492   2.397
  Start of MODEL   10
 6623    HA   SER   2           HA       SER   2 -13.539  16.643   0.674
  Start of MODEL   10
 6624    HB3  SER   2           HB2      SER   2 -13.847  18.462  -0.991
  Start of MODEL   10
 6625    HB2  SER   2           HB3      SER   2 -13.173  19.608   0.168
  Start of MODEL   10
 6626    HG   SER   2           HG       SER   2 -15.458  19.585   0.218
  Start of MODEL   10
 6627    H    ALA   3           H        ALA   3 -12.053  15.380  -0.236
  Start of MODEL   10
 6628    HA   ALA   3           HA       ALA   3  -9.757  16.612  -1.566
  Start of MODEL   10
 6629    HB3  ALA   3           HB1      ALA   3  -8.949  15.947   0.656
  Start of MODEL   10
 6630    HB2  ALA   3           HB2      ALA   3  -8.183  15.012  -0.628
  Start of MODEL   10
 6631    HB1  ALA   3           HB3      ALA   3  -9.467  14.292   0.343
  Start of MODEL   10
 6632    H    GLY   4           H        GLY   4 -11.951  15.762  -2.899
  Start of MODEL   10
 6633    HA2  GLY   4           HA2      GLY   4 -11.537  13.014  -3.791
  Start of MODEL   10
 6634    HA3  GLY   4           HA3      GLY   4 -12.846  14.082  -4.271
  Start of MODEL   10
 6635    H    GLU   5           H        GLU   5 -11.812  16.185  -5.420
  Start of MODEL   10
 6636    HA   GLU   5           HA       GLU   5  -9.780  15.315  -7.329
  Start of MODEL   10
 6637    HB2  GLU   5           HB2      GLU   5 -12.524  16.373  -7.984
  Start of MODEL   10
 6638    HB3  GLU   5           HB3      GLU   5 -11.192  16.480  -9.133
  Start of MODEL   10
 6639    HG3  GLU   5           HG2      GLU   5 -12.326  13.949  -7.956
  Start of MODEL   10
 6640    HG2  GLU   5           HG3      GLU   5 -10.958  14.036  -9.063
  Start of MODEL   10
 6641    HA   PRO   6           HA       PRO   6  -8.973  19.621  -5.811
  Start of MODEL   10
 6642    HB2  PRO   6           HB2      PRO   6  -6.484  19.265  -4.918
  Start of MODEL   10
 6643    HB3  PRO   6           HB3      PRO   6  -7.874  18.686  -3.985
  Start of MODEL   10
 6644    HG2  PRO   6           HG2      PRO   6  -6.089  17.141  -5.839
  Start of MODEL   10
 6645    HG3  PRO   6           HG3      PRO   6  -6.591  16.737  -4.186
  Start of MODEL   10
 6646    HD2  PRO   6           HD2      PRO   6  -7.823  15.720  -6.385
  Start of MODEL   10
 6647    HD3  PRO   6           HD3      PRO   6  -8.674  16.033  -4.854
  Start of MODEL   10
 6648    H    HIS   7           H        HIS   7  -9.125  19.421  -8.417
  Start of MODEL   10
 6649    HA   HIS   7           HA       HIS   7  -8.316  20.129 -10.413
  Start of MODEL   10
 6650    HB2  HIS   7           HB2      HIS   7  -7.559  22.022  -8.822
  Start of MODEL   10
 6651    HB3  HIS   7           HB3      HIS   7  -5.949  21.332  -8.993
  Start of MODEL   10
 6652    HD1  HIS   7           HD1      HIS   7  -8.600  23.148 -10.926
  Start of MODEL   10
 6653    HD2  HIS   7           HD2      HIS   7  -4.700  21.810 -11.438
  Start of MODEL   10
 6654    HE1  HIS   7           HE1      HIS   7  -7.793  24.224 -13.051
  Start of MODEL   10
 6655    HE2  HIS   7           HE2      HIS   7  -5.402  23.470 -13.293
  Start of MODEL   10
 6656    H    GLU   8           H        GLU   8  -7.707  18.445 -11.636
  Start of MODEL   10
 6657    HA   GLU   8           HA       GLU   8  -5.037  17.265 -11.193
  Start of MODEL   10
 6658    HB2  GLU   8           HB2      GLU   8  -7.488  16.097 -12.528
  Start of MODEL   10
 6659    HB3  GLU   8           HB3      GLU   8  -5.916  15.317 -12.496
  Start of MODEL   10
 6660    HG2  GLU   8           HG2      GLU   8  -7.163  14.288 -10.808
  Start of MODEL   10
 6661    HG3  GLU   8           HG3      GLU   8  -6.069  15.385  -9.971
  Start of MODEL   10
 6662    H    THR   9           H        THR   9  -4.009  16.417 -13.261
  Start of MODEL   10
 6663    HA   THR   9           HA       THR   9  -4.706  17.672 -15.731
  Start of MODEL   10
 6664    HB   THR   9           HB       THR   9  -3.700  19.639 -15.003
  Start of MODEL   10
 6665    HG1  THR   9           HG1      THR   9  -2.640  19.358 -16.839
  Start of MODEL   10
 6666   HG23  THR   9          HG21      THR   9  -1.805  19.910 -13.656
  Start of MODEL   10
 6667   HG22  THR   9          HG22      THR   9  -1.317  18.228 -13.855
  Start of MODEL   10
 6668   HG21  THR   9          HG23      THR   9  -2.741  18.624 -12.891
  Start of MODEL   10
 6669    H    ASP  10           H        ASP  10  -1.913  16.277 -13.988
  Start of MODEL   10
 6670    HA   ASP  10           HA       ASP  10  -1.657  14.288 -16.142
  Start of MODEL   10
 6671    HB3  ASP  10           HB2      ASP  10   0.664  14.538 -16.339
  Start of MODEL   10
 6672    HB2  ASP  10           HB3      ASP  10   0.803  15.394 -14.803
  Start of MODEL   10
 6673    H    CYS  11           H        CYS  11  -1.346  12.224 -15.436
  Start of MODEL   10
 6674    HA   CYS  11           HA       CYS  11  -0.608  11.828 -12.624
  Start of MODEL   10
 6675    HB2  CYS  11           HB2      CYS  11  -3.084  11.759 -12.825
  Start of MODEL   10
 6676    HB3  CYS  11           HB3      CYS  11  -2.930  10.416 -13.950
  Start of MODEL   10
 6677    H    SER  12           H        SER  12  -1.270  10.126 -15.707
  Start of MODEL   10
 6678    HA   SER  12           HA       SER  12  -0.131   7.704 -15.274
  Start of MODEL   10
 6679    HB3  SER  12           HB2      SER  12  -0.822   7.704 -17.419
  Start of MODEL   10
 6680    HB2  SER  12           HB3      SER  12   0.834   8.199 -17.769
  Start of MODEL   10
 6681    HG   SER  12           HG       SER  12  -0.762   9.566 -18.739
  Start of MODEL   10
 6682    H    GLU  13           H        GLU  13   1.654  10.618 -16.234
  Start of MODEL   10
 6683    HA   GLU  13           HA       GLU  13   4.194   9.551 -16.425
  Start of MODEL   10
 6684    HB2  GLU  13           HB2      GLU  13   3.229  12.002 -16.800
  Start of MODEL   10
 6685    HB3  GLU  13           HB3      GLU  13   3.913  12.236 -15.202
  Start of MODEL   10
 6686    HG2  GLU  13           HG2      GLU  13   6.090  11.582 -15.977
  Start of MODEL   10
 6687    HG3  GLU  13           HG3      GLU  13   5.433  11.201 -17.568
  Start of MODEL   10
 6688    H    ILE  14           H        ILE  14   2.559  10.832 -13.564
  Start of MODEL   10
 6689    HA   ILE  14           HA       ILE  14   4.680  10.457 -11.732
  Start of MODEL   10
 6690    HB   ILE  14           HB       ILE  14   1.684  10.470 -11.328
  Start of MODEL   10
 6691   HD13  ILE  14          HD11      ILE  14   3.651  12.592  -8.958
  Start of MODEL   10
 6692   HD12  ILE  14          HD12      ILE  14   4.233  13.688 -10.212
  Start of MODEL   10
 6693   HD11  ILE  14          HD13      ILE  14   4.841  12.036 -10.134
  Start of MODEL   10
 6694    H    LEU  15           H        LEU  15   2.099   8.263 -12.898
  Start of MODEL   10
 6695    HA   LEU  15           HA       LEU  15   2.878   6.135 -11.229
  Start of MODEL   10
 6696    HB2  LEU  15           HB2      LEU  15   1.749   5.780 -13.996
  Start of MODEL   10
 6697    HB3  LEU  15           HB3      LEU  15   1.517   4.770 -12.584
  Start of MODEL   10
 6698    HG   LEU  15           HG       LEU  15   0.366   7.547 -12.894
  Start of MODEL   10
 6699   HD11  LEU  15          HD11      LEU  15  -0.521   5.806 -14.492
  Start of MODEL   10
 6700   HD13  LEU  15          HD12      LEU  15  -1.707   6.585 -13.443
  Start of MODEL   10
 6701   HD12  LEU  15          HD13      LEU  15  -1.137   4.957 -13.073
  Start of MODEL   10
 6702   HD23  LEU  15          HD21      LEU  15  -0.122   5.400 -10.833
  Start of MODEL   10
 6703   HD22  LEU  15          HD22      LEU  15  -1.024   6.909 -10.965
  Start of MODEL   10
 6704   HD21  LEU  15          HD23      LEU  15   0.693   6.942 -10.571
  Start of MODEL   10
 6705    H    ASP  16           H        ASP  16   3.607   6.941 -14.666
  Start of MODEL   10
 6706    HA   ASP  16           HA       ASP  16   5.381   5.078 -15.371
  Start of MODEL   10
 6707    HB2  ASP  16           HB2      ASP  16   4.774   7.187 -16.643
  Start of MODEL   10
 6708    HB3  ASP  16           HB3      ASP  16   6.041   8.007 -15.735
  Start of MODEL   10
 6709    H    HIS  17           H        HIS  17   6.137   7.600 -12.880
  Start of MODEL   10
 6710    HA   HIS  17           HA       HIS  17   8.867   6.713 -12.714
  Start of MODEL   10
 6711    HB3  HIS  17           HB2      HIS  17   9.166   8.283 -11.048
  Start of MODEL   10
 6712    HB2  HIS  17           HB3      HIS  17   7.571   8.021 -10.359
  Start of MODEL   10
 6713    HD1  HIS  17           HD1      HIS  17   7.159  10.506 -10.143
  Start of MODEL   10
 6714    HD2  HIS  17           HD2      HIS  17   7.810   9.281 -14.055
  Start of MODEL   10
 6715    HE1  HIS  17           HE1      HIS  17   6.528  12.470 -11.564
  Start of MODEL   10
 6716    HE2  HIS  17           HE2      HIS  17   7.043  11.750 -13.929
  Start of MODEL   10
 6717    H    LEU  18           H        LEU  18   5.953   6.512 -10.673
  Start of MODEL   10
 6718    HA   LEU  18           HA       LEU  18   6.692   4.822  -8.704
  Start of MODEL   10
 6719    HB2  LEU  18           HB2      LEU  18   4.149   5.094 -10.210
  Start of MODEL   10
 6720    HB3  LEU  18           HB3      LEU  18   4.301   3.717  -9.140
  Start of MODEL   10
 6721    HG   LEU  18           HG       LEU  18   4.945   5.431  -7.328
  Start of MODEL   10
 6722   HD12  LEU  18          HD11      LEU  18   4.112   7.679  -7.647
  Start of MODEL   10
 6723   HD11  LEU  18          HD12      LEU  18   3.607   7.285  -9.289
  Start of MODEL   10
 6724   HD13  LEU  18          HD13      LEU  18   5.327   7.306  -8.874
  Start of MODEL   10
 6725   HD22  LEU  18          HD21      LEU  18   2.932   4.660  -6.742
  Start of MODEL   10
 6726   HD21  LEU  18          HD22      LEU  18   2.334   4.681  -8.400
  Start of MODEL   10
 6727   HD23  LEU  18          HD23      LEU  18   2.303   6.154  -7.432
  Start of MODEL   10
 6728    H    TYR  19           H        TYR  19   6.541   3.871 -12.066
  Start of MODEL   10
 6729    HA   TYR  19           HA       TYR  19   6.707   1.047 -11.379
  Start of MODEL   10
 6730    HB2  TYR  19           HB2      TYR  19   5.501   2.157 -13.463
  Start of MODEL   10
 6731    HB3  TYR  19           HB3      TYR  19   7.089   2.048 -14.173
  Start of MODEL   10
 6732    HD1  TYR  19           HD1      TYR  19   4.074   0.212 -13.434
  Start of MODEL   10
 6733    HD2  TYR  19           HD2      TYR  19   8.238  -0.194 -14.257
  Start of MODEL   10
 6734    HE1  TYR  19           HE1      TYR  19   3.726  -2.142 -14.046
  Start of MODEL   10
 6735    HE2  TYR  19           HE2      TYR  19   7.897  -2.545 -14.868
  Start of MODEL   10
 6736    HH   TYR  19           HH       TYR  19   5.705  -4.359 -14.062
  Start of MODEL   10
 6737    H    GLU  20           H        GLU  20   8.534   2.971 -13.688
  Start of MODEL   10
 6738    HA   GLU  20           HA       GLU  20  10.829   1.407 -13.634
  Start of MODEL   10
 6739    HB3  GLU  20           HB2      GLU  20  10.566   4.308 -14.419
  Start of MODEL   10
 6740    HB2  GLU  20           HB3      GLU  20  10.016   2.966 -15.419
  Start of MODEL   10
 6741    HG2  GLU  20           HG2      GLU  20  12.800   3.267 -14.442
  Start of MODEL   10
 6742    HG3  GLU  20           HG3      GLU  20  12.198   2.141 -15.648
  Start of MODEL   10
 6743    H    PHE  21           H        PHE  21   9.928   4.140 -11.661
  Start of MODEL   10
 6744    HA   PHE  21           HA       PHE  21  12.455   4.945 -10.731
  Start of MODEL   10
 6745    HB2  PHE  21           HB2      PHE  21  10.090   6.052 -10.495
  Start of MODEL   10
 6746    HB3  PHE  21           HB3      PHE  21   9.977   5.095  -9.028
  Start of MODEL   10
 6747    HD1  PHE  21           HD1      PHE  21  12.230   5.291  -7.530
  Start of MODEL   10
 6748    HD2  PHE  21           HD2      PHE  21  10.717   8.201 -10.238
  Start of MODEL   10
 6749    HE1  PHE  21           HE1      PHE  21  13.463   7.060  -6.328
  Start of MODEL   10
 6750    HE2  PHE  21           HE2      PHE  21  11.946   9.965  -9.049
  Start of MODEL   10
 6751    HZ   PHE  21           HZ       PHE  21  13.321   9.394  -7.090
  Start of MODEL   10
 6752    H    LEU  22           H        LEU  22  10.080   2.769  -9.483
  Start of MODEL   10
 6753    HA   LEU  22           HA       LEU  22  11.909   1.968  -7.343
  Start of MODEL   10
 6754    HB3  LEU  22           HB2      LEU  22  10.098   1.814  -6.133
  Start of MODEL   10
 6755    HB2  LEU  22           HB3      LEU  22   9.852   0.255  -6.886
  Start of MODEL   10
 6756    HG   LEU  22           HG       LEU  22   8.299   1.290  -8.500
  Start of MODEL   10
 6757   HD12  LEU  22          HD11      LEU  22   6.860   2.252  -6.297
  Start of MODEL   10
 6758   HD11  LEU  22          HD12      LEU  22   7.890   0.960  -5.684
  Start of MODEL   10
 6759   HD13  LEU  22          HD13      LEU  22   6.788   0.648  -7.026
  Start of MODEL   10
 6760   HD22  LEU  22          HD21      LEU  22   8.492   3.505  -8.832
  Start of MODEL   10
 6761   HD21  LEU  22          HD22      LEU  22   9.421   3.716  -7.357
  Start of MODEL   10
 6762   HD23  LEU  22          HD23      LEU  22   7.661   3.722  -7.293
  Start of MODEL   10
 6763    H    ASP  23           H        ASP  23  10.476   0.262 -10.205
  Start of MODEL   10
 6764    HA   ASP  23           HA       ASP  23  11.861  -2.135  -9.424
  Start of MODEL   10
 6765    HB2  ASP  23           HB2      ASP  23   9.663  -1.495 -11.031
  Start of MODEL   10
 6766    HB3  ASP  23           HB3      ASP  23  10.884  -2.089 -12.157
  Start of MODEL   10
 6767    H    LYS  24           H        LYS  24  12.916   0.650 -11.103
  Start of MODEL   10
 6768    HA   LYS  24           HA       LYS  24  15.029  -0.946 -12.351
  Start of MODEL   10
 6769    HB2  LYS  24           HB2      LYS  24  13.167   0.959 -13.548
  Start of MODEL   10
 6770    HB3  LYS  24           HB3      LYS  24  14.841   1.182 -14.022
  Start of MODEL   10
 6771    HG3  LYS  24           HG2      LYS  24  14.670  -1.450 -14.400
  Start of MODEL   10
 6772    HG2  LYS  24           HG3      LYS  24  14.224  -0.279 -15.643
  Start of MODEL   10
 6773    HD3  LYS  24           HD2      LYS  24  11.938  -0.571 -15.279
  Start of MODEL   10
 6774    HD2  LYS  24           HD3      LYS  24  12.183  -1.268 -13.676
  Start of MODEL   10
 6775    HE2  LYS  24           HE2      LYS  24  12.938  -2.581 -16.285
  Start of MODEL   10
 6776    HE3  LYS  24           HE3      LYS  24  13.126  -3.278 -14.677
  Start of MODEL   10
 6777    HZ1  LYS  24           HZ1      LYS  24  10.546  -2.545 -15.954
  Start of MODEL   10
 6778    HZ3  LYS  24           HZ2      LYS  24  10.724  -3.211 -14.409
  Start of MODEL   10
 6779    HZ2  LYS  24           HZ3      LYS  24  11.149  -4.116 -15.772
  Start of MODEL   10
 6780    H    GLU  25           H        GLU  25  14.985   0.679  -9.868
  Start of MODEL   10
 6781    HA   GLU  25           HA       GLU  25  17.455   2.104 -10.412
  Start of MODEL   10
 6782    HB2  GLU  25           HB2      GLU  25  15.027   3.391  -9.202
  Start of MODEL   10
 6783    HB3  GLU  25           HB3      GLU  25  16.639   4.015  -8.902
  Start of MODEL   10
 6784    HG3  GLU  25           HG2      GLU  25  15.135   3.884 -11.491
  Start of MODEL   10
 6785    HG2  GLU  25           HG3      GLU  25  16.884   4.105 -11.444
  Start of MODEL   10
 6786    H    MET  26           H        MET  26  15.659   2.516  -7.414
  Start of MODEL   10
 6787    HA   MET  26           HA       MET  26  16.852   0.375  -5.986
  Start of MODEL   10
 6788    HB3  MET  26           HB2      MET  26  18.051   2.497  -4.584
  Start of MODEL   10
 6789    HB2  MET  26           HB3      MET  26  18.436   2.788  -6.274
  Start of MODEL   10
 6790    HG2  MET  26           HG2      MET  26  18.961   0.222  -4.789
  Start of MODEL   10
 6791    HG3  MET  26           HG3      MET  26  19.404   0.570  -6.459
  Start of MODEL   10
 6792    HE2  MET  26           HE1      MET  26  22.861   0.504  -4.595
  Start of MODEL   10
 6793    HE1  MET  26           HE2      MET  26  21.922  -0.158  -5.933
  Start of MODEL   10
 6794    HE3  MET  26           HE3      MET  26  21.454  -0.507  -4.268
  Start of MODEL   10
 6795    HA   PRO  27           HA       PRO  27  12.790   1.798  -4.321
  Start of MODEL   10
 6796    HB2  PRO  27           HB2      PRO  27  13.640  -0.599  -2.726
  Start of MODEL   10
 6797    HB3  PRO  27           HB3      PRO  27  12.024  -0.142  -3.288
  Start of MODEL   10
 6798    HG2  PRO  27           HG2      PRO  27  13.451  -1.958  -4.609
  Start of MODEL   10
 6799    HG3  PRO  27           HG3      PRO  27  12.471  -0.766  -5.480
  Start of MODEL   10
 6800    HD3  PRO  27           HD2      PRO  27  14.446  -0.189  -6.484
  Start of MODEL   10
 6801    HD2  PRO  27           HD3      PRO  27  15.412  -0.950  -5.203
  Start of MODEL   10
 6802    H    ASP  28           H        ASP  28  15.539   0.769  -2.244
  Start of MODEL   10
 6803    HA   ASP  28           HA       ASP  28  14.621   2.133   0.057
  Start of MODEL   10
 6804    HB2  ASP  28           HB2      ASP  28  16.399   0.266  -0.122
  Start of MODEL   10
 6805    HB3  ASP  28           HB3      ASP  28  17.534   1.563  -0.482
  Start of MODEL   10
 6806    H    SER  29           H        SER  29  16.781   3.151  -2.559
  Start of MODEL   10
 6807    HA   SER  29           HA       SER  29  17.162   5.747  -1.273
  Start of MODEL   10
 6808    HB2  SER  29           HB2      SER  29  18.841   6.179  -2.897
  Start of MODEL   10
 6809    HB3  SER  29           HB3      SER  29  19.039   4.479  -2.460
  Start of MODEL   10
 6810    HG   SER  29           HG       SER  29  18.950   5.202  -4.818
  Start of MODEL   10
 6811    H    ASP  30           H        ASP  30  14.495   5.028  -2.111
  Start of MODEL   10
 6812    HA   ASP  30           HA       ASP  30  14.052   7.043  -4.209
  Start of MODEL   10
 6813    HB2  ASP  30           HB2      ASP  30  12.461   4.525  -3.669
  Start of MODEL   10
 6814    HB3  ASP  30           HB3      ASP  30  12.010   5.769  -4.828
  Start of MODEL   10
 6815    H    ALA  31           H        ALA  31  13.202   5.885  -1.017
  Start of MODEL   10
 6816    HA   ALA  31           HA       ALA  31  10.733   7.109  -0.637
  Start of MODEL   10
 6817    HB1  ALA  31           HB1      ALA  31  12.911   6.188   1.105
  Start of MODEL   10
 6818    HB3  ALA  31           HB2      ALA  31  11.185   5.838   1.153
  Start of MODEL   10
 6819    HB2  ALA  31           HB3      ALA  31  11.797   7.352   1.818
  Start of MODEL   10
 6820    H    VAL  32           H        VAL  32  13.979   8.547  -0.245
  Start of MODEL   10
 6821    HA   VAL  32           HA       VAL  32  12.961  11.055   0.664
  Start of MODEL   10
 6822    HB   VAL  32           HB       VAL  32  15.687  10.569  -0.487
  Start of MODEL   10
 6823    H    LYS  33           H        LYS  33  13.615   9.669  -2.450
  Start of MODEL   10
 6824    HA   LYS  33           HA       LYS  33  13.366  12.243  -3.793
  Start of MODEL   10
 6825    HB3  LYS  33           HB2      LYS  33  13.837  11.028  -5.833
  Start of MODEL   10
 6826    HB2  LYS  33           HB3      LYS  33  13.629   9.488  -5.012
  Start of MODEL   10
 6827    HG3  LYS  33           HG2      LYS  33  15.937   9.735  -5.217
  Start of MODEL   10
 6828    HG2  LYS  33           HG3      LYS  33  15.595  10.188  -3.546
  Start of MODEL   10
 6829    HD2  LYS  33           HD2      LYS  33  15.440  12.606  -4.528
  Start of MODEL   10
 6830    HD3  LYS  33           HD3      LYS  33  17.016  11.886  -4.198
  Start of MODEL   10
 6831    HE3  LYS  33           HE2      LYS  33  16.646  13.079  -6.454
  Start of MODEL   10
 6832    HE2  LYS  33           HE3      LYS  33  15.738  11.635  -6.900
  Start of MODEL   10
 6833    HZ2  LYS  33           HZ1      LYS  33  18.057  11.508  -7.594
  Start of MODEL   10
 6834    HZ1  LYS  33           HZ2      LYS  33  17.692  10.298  -6.471
  Start of MODEL   10
 6835    HZ3  LYS  33           HZ3      LYS  33  18.565  11.664  -5.987
  Start of MODEL   10
 6836    H    PHE  34           H        PHE  34  11.447   9.714  -2.652
  Start of MODEL   10
 6837    HA   PHE  34           HA       PHE  34   9.326   9.818  -4.566
  Start of MODEL   10
 6838    HB3  PHE  34           HB2      PHE  34   8.130   8.682  -2.466
  Start of MODEL   10
 6839    HB2  PHE  34           HB3      PHE  34   9.788   8.511  -1.916
  Start of MODEL   10
 6840    HD1  PHE  34           HD1      PHE  34   9.310   6.100  -1.865
  Start of MODEL   10
 6841    HD2  PHE  34           HD2      PHE  34   9.293   8.305  -5.507
  Start of MODEL   10
 6842    HE1  PHE  34           HE1      PHE  34   9.425   4.011  -3.127
  Start of MODEL   10
 6843    HE2  PHE  34           HE2      PHE  34   9.429   6.216  -6.775
  Start of MODEL   10
 6844    HZ   PHE  34           HZ       PHE  34   9.501   4.058  -5.581
  Start of MODEL   10
 6845    H    GLU  35           H        GLU  35  10.289  12.124  -2.359
  Start of MODEL   10
 6846    HA   GLU  35           HA       GLU  35   7.505  12.864  -1.718
  Start of MODEL   10
 6847    HB3  GLU  35           HB2      GLU  35   8.687  14.541  -0.156
  Start of MODEL   10
 6848    HB2  GLU  35           HB3      GLU  35  10.157  13.637  -0.497
  Start of MODEL   10
 6849    HG2  GLU  35           HG2      GLU  35   7.652  12.629   0.828
  Start of MODEL   10
 6850    HG3  GLU  35           HG3      GLU  35   8.973  11.583   0.309
  Start of MODEL   10
 6851    H    HIS  36           H        HIS  36   9.849  13.585  -4.000
  Start of MODEL   10
 6852    HA   HIS  36           HA       HIS  36   9.158  16.421  -4.228
  Start of MODEL   10
 6853    HB2  HIS  36           HB2      HIS  36  10.947  14.886  -6.110
  Start of MODEL   10
 6854    HB3  HIS  36           HB3      HIS  36  10.925  16.618  -5.795
  Start of MODEL   10
 6855    HD1  HIS  36           HD1      HIS  36  11.622  17.140  -3.107
  Start of MODEL   10
 6856    HD2  HIS  36           HD2      HIS  36  12.958  13.651  -4.921
  Start of MODEL   10
 6857    HE1  HIS  36           HE1      HIS  36  13.598  16.393  -1.741
  Start of MODEL   10
 6858    HE2  HIS  36           HE2      HIS  36  14.455  14.334  -2.917
  Start of MODEL   10
 6859    H    HIS  37           H        HIS  37   9.086  13.485  -6.224
  Start of MODEL   10
 6860    HA   HIS  37           HA       HIS  37   7.516  14.677  -8.306
  Start of MODEL   10
 6861    HB2  HIS  37           HB2      HIS  37   7.835  11.713  -7.896
  Start of MODEL   10
 6862    HB3  HIS  37           HB3      HIS  37   7.668  12.606  -9.409
  Start of MODEL   10
 6863    HD1  HIS  37           HD1      HIS  37   9.823  13.973 -10.131
  Start of MODEL   10
 6864    HD2  HIS  37           HD2      HIS  37  10.315  11.293  -7.008
  Start of MODEL   10
 6865    HE1  HIS  37           HE1      HIS  37  12.281  13.679  -9.888
  Start of MODEL   10
 6866    HE2  HIS  37           HE2      HIS  37  12.588  12.144  -7.922
  Start of MODEL   10
 6867    H    PHE  38           H        PHE  38   6.932  12.572  -5.569
  Start of MODEL   10
 6868    HA   PHE  38           HA       PHE  38   4.247  11.911  -6.159
  Start of MODEL   10
 6869    HB2  PHE  38           HB2      PHE  38   5.906  11.809  -3.652
  Start of MODEL   10
 6870    HB3  PHE  38           HB3      PHE  38   4.247  11.239  -3.700
  Start of MODEL   10
 6871    HD1  PHE  38           HD1      PHE  38   5.281   9.056  -2.896
  Start of MODEL   10
 6872    HD2  PHE  38           HD2      PHE  38   6.105  10.693  -6.778
  Start of MODEL   10
 6873    HE1  PHE  38           HE1      PHE  38   6.039   6.859  -3.675
  Start of MODEL   10
 6874    HE2  PHE  38           HE2      PHE  38   6.827   8.477  -7.546
  Start of MODEL   10
 6875    HZ   PHE  38           HZ       PHE  38   6.797   6.562  -6.000
  Start of MODEL   10
 6876    H    GLU  39           H        GLU  39   5.678  14.689  -4.582
  Start of MODEL   10
 6877    HA   GLU  39           HA       GLU  39   3.145  15.509  -3.404
  Start of MODEL   10
 6878    HB3  GLU  39           HB2      GLU  39   4.574  17.583  -2.786
  Start of MODEL   10
 6879    HB2  GLU  39           HB3      GLU  39   5.936  16.619  -3.336
  Start of MODEL   10
 6880    HG2  GLU  39           HG2      GLU  39   5.071  14.831  -1.707
  Start of MODEL   10
 6881    HG3  GLU  39           HG3      GLU  39   5.900  16.244  -1.055
  Start of MODEL   10
 6882    H    GLU  40           H        GLU  40   5.188  16.416  -6.146
  Start of MODEL   10
 6883    HA   GLU  40           HA       GLU  40   3.973  18.856  -6.777
  Start of MODEL   10
 6884    HB2  GLU  40           HB2      GLU  40   4.838  18.532  -9.059
  Start of MODEL   10
 6885    HB3  GLU  40           HB3      GLU  40   6.043  18.183  -7.832
  Start of MODEL   10
 6886    HG2  GLU  40           HG2      GLU  40   6.042  15.929  -8.265
  Start of MODEL   10
 6887    HG3  GLU  40           HG3      GLU  40   4.436  15.947  -8.986
  Start of MODEL   10
 6888    H    SER  41           H        SER  41   2.965  15.563  -7.502
  Start of MODEL   10
 6889    HA   SER  41           HA       SER  41   0.515  16.661  -8.717
  Start of MODEL   10
 6890    HB3  SER  41           HB2      SER  41   0.786  13.983  -9.558
  Start of MODEL   10
 6891    HB2  SER  41           HB3      SER  41   2.361  14.748  -9.781
  Start of MODEL   10
 6892    HG   SER  41           HG       SER  41   0.966  15.009 -11.597
  Start of MODEL   10
 6893    H    SER  42           H        SER  42   0.301  16.530  -6.105
  Start of MODEL   10
 6894    HA   SER  42           HA       SER  42  -0.332  14.082  -4.915
  Start of MODEL   10
 6895    HB3  SER  42           HB2      SER  42  -1.862  16.569  -4.207
  Start of MODEL   10
 6896    HB2  SER  42           HB3      SER  42  -0.134  16.476  -3.870
  Start of MODEL   10
 6897    HG   SER  42           HG       SER  42  -0.480  14.937  -2.408
  Start of MODEL   10
 6898    HA   PRO  43           HA       PRO  43  -4.936  15.067  -6.465
  Start of MODEL   10
 6899    HB3  PRO  43           HB2      PRO  43  -5.526  16.720  -7.935
  Start of MODEL   10
 6900    HB2  PRO  43           HB3      PRO  43  -4.205  16.342  -9.050
  Start of MODEL   10
 6901    HG3  PRO  43           HG2      PRO  43  -4.138  17.915  -6.500
  Start of MODEL   10
 6902    HG2  PRO  43           HG3      PRO  43  -3.417  18.313  -8.072
  Start of MODEL   10
 6903    HD2  PRO  43           HD2      PRO  43  -1.684  16.773  -7.795
  Start of MODEL   10
 6904    HD3  PRO  43           HD3      PRO  43  -1.921  17.309  -6.119
  Start of MODEL   10
 6905    H    CYS  44           H        CYS  44  -2.181  13.881  -8.260
  Start of MODEL   10
 6906    HA   CYS  44           HA       CYS  44  -3.740  12.368 -10.157
  Start of MODEL   10
 6907    HB2  CYS  44           HB2      CYS  44  -1.628  12.695 -11.033
  Start of MODEL   10
 6908    HB3  CYS  44           HB3      CYS  44  -0.847  12.614  -9.458
  Start of MODEL   10
 6909    H    LEU  45           H        LEU  45  -2.095  11.885  -7.114
  Start of MODEL   10
 6910    HA   LEU  45           HA       LEU  45  -2.749   9.101  -6.932
  Start of MODEL   10
 6911    HB2  LEU  45           HB2      LEU  45  -2.183  10.247  -4.348
  Start of MODEL   10
 6912    HB3  LEU  45           HB3      LEU  45  -1.325   9.017  -5.242
  Start of MODEL   10
 6913    HG   LEU  45           HG       LEU  45  -0.869  11.876  -5.885
  Start of MODEL   10
 6914   HD11  LEU  45          HD11      LEU  45   0.001   9.928  -7.280
  Start of MODEL   10
 6915   HD13  LEU  45          HD12      LEU  45   1.068   9.593  -5.914
  Start of MODEL   10
 6916   HD12  LEU  45          HD13      LEU  45   1.177  11.136  -6.763
  Start of MODEL   10
 6917   HD22  LEU  45          HD21      LEU  45   0.982  11.891  -4.284
  Start of MODEL   10
 6918   HD21  LEU  45          HD22      LEU  45   0.394  10.357  -3.650
  Start of MODEL   10
 6919   HD23  LEU  45          HD23      LEU  45  -0.602  11.802  -3.516
  Start of MODEL   10
 6920    H    GLU  46           H        GLU  46  -4.730  11.784  -6.697
  Start of MODEL   10
 6921    HA   GLU  46           HA       GLU  46  -6.432  10.545  -4.643
  Start of MODEL   10
 6922    HB3  GLU  46           HB2      GLU  46  -7.460  12.674  -4.331
  Start of MODEL   10
 6923    HB2  GLU  46           HB3      GLU  46  -6.706  13.323  -5.782
  Start of MODEL   10
 6924    HG3  GLU  46           HG2      GLU  46  -4.779  13.776  -4.746
  Start of MODEL   10
 6925    HG2  GLU  46           HG3      GLU  46  -4.830  12.305  -3.775
  Start of MODEL   10
 6926    H    LYS  47           H        LYS  47  -6.025  10.154  -7.647
  Start of MODEL   10
 6927    HA   LYS  47           HA       LYS  47  -8.792  10.428  -8.607
  Start of MODEL   10
 6928    HB2  LYS  47           HB2      LYS  47  -6.263   9.625 -10.030
  Start of MODEL   10
 6929    HB3  LYS  47           HB3      LYS  47  -7.842   9.309 -10.728
  Start of MODEL   10
 6930    HG3  LYS  47           HG2      LYS  47  -7.846  12.009  -9.942
  Start of MODEL   10
 6931    HG2  LYS  47           HG3      LYS  47  -7.865  11.336 -11.574
  Start of MODEL   10
 6932    HD2  LYS  47           HD2      LYS  47  -5.767  12.711 -10.193
  Start of MODEL   10
 6933    HD3  LYS  47           HD3      LYS  47  -5.222  11.106 -10.658
  Start of MODEL   10
 6934    HE3  LYS  47           HE2      LYS  47  -4.788  12.885 -12.364
  Start of MODEL   10
 6935    HE2  LYS  47           HE3      LYS  47  -6.532  13.070 -12.542
  Start of MODEL   10
 6936    HZ3  LYS  47           HZ1      LYS  47  -5.309  11.552 -14.170
  Start of MODEL   10
 6937    HZ2  LYS  47           HZ2      LYS  47  -6.737  10.969 -13.477
  Start of MODEL   10
 6938    HZ1  LYS  47           HZ3      LYS  47  -5.240  10.437 -12.900
  Start of MODEL   10
 6939    H    TYR  48           H        TYR  48  -6.304   7.954  -8.270
  Start of MODEL   10
 6940    HA   TYR  48           HA       TYR  48  -8.369   5.863  -8.244
  Start of MODEL   10
 6941    HB3  TYR  48           HB2      TYR  48  -6.605   4.306  -8.808
  Start of MODEL   10
 6942    HB2  TYR  48           HB3      TYR  48  -5.377   5.545  -8.543
  Start of MODEL   10
 6943    HD1  TYR  48           HD1      TYR  48  -7.804   4.187 -10.884
  Start of MODEL   10
 6944    HD2  TYR  48           HD2      TYR  48  -5.185   7.455 -10.123
  Start of MODEL   10
 6945    HE1  TYR  48           HE1      TYR  48  -7.981   4.871 -13.237
  Start of MODEL   10
 6946    HE2  TYR  48           HE2      TYR  48  -5.354   8.152 -12.472
  Start of MODEL   10
 6947    HH   TYR  48           HH       TYR  48  -7.514   7.545 -14.421
  Start of MODEL   10
 6948    H    GLY  49           H        GLY  49  -6.181   7.513  -6.143
  Start of MODEL   10
 6949    HA3  GLY  49           HA2      GLY  49  -6.945   5.688  -3.996
  Start of MODEL   10
 6950    HA2  GLY  49           HA3      GLY  49  -6.377   7.338  -3.791
  Start of MODEL   10
 6951    H    LEU  50           H        LEU  50  -4.064   7.341  -5.260
  Start of MODEL   10
 6952    HA   LEU  50           HA       LEU  50  -2.435   5.134  -4.245
  Start of MODEL   10
 6953    HB3  LEU  50           HB2      LEU  50  -0.645   6.125  -5.673
  Start of MODEL   10
 6954    HB2  LEU  50           HB3      LEU  50  -1.790   7.344  -6.194
  Start of MODEL   10
 6955    HG   LEU  50           HG       LEU  50  -3.143   5.702  -7.312
  Start of MODEL   10
 6956   HD12  LEU  50          HD11      LEU  50  -0.852   4.577  -8.497
  Start of MODEL   10
 6957   HD11  LEU  50          HD12      LEU  50  -0.395   6.190  -7.950
  Start of MODEL   10
 6958   HD13  LEU  50          HD13      LEU  50  -1.774   5.983  -9.029
  Start of MODEL   10
 6959   HD21  LEU  50          HD21      LEU  50  -1.333   3.704  -5.984
  Start of MODEL   10
 6960   HD23  LEU  50          HD22      LEU  50  -2.298   3.303  -7.406
  Start of MODEL   10
 6961   HD22  LEU  50          HD23      LEU  50  -3.093   3.814  -5.917
  Start of MODEL   10
 6962    H    GLU  51           H        GLU  51  -3.109   8.479  -3.586
  Start of MODEL   10
 6963    HA   GLU  51           HA       GLU  51  -0.756   9.393  -2.500
  Start of MODEL   10
 6964    HB2  GLU  51           HB2      GLU  51  -2.538  10.346  -0.637
  Start of MODEL   10
 6965    HB3  GLU  51           HB3      GLU  51  -2.141  11.115  -2.167
  Start of MODEL   10
 6966    HG3  GLU  51           HG2      GLU  51  -4.270   9.061  -2.120
  Start of MODEL   10
 6967    HG2  GLU  51           HG3      GLU  51  -4.067  10.462  -3.161
  Start of MODEL   10
 6968    H    GLN  52           H        GLN  52  -3.326   7.851  -0.723
  Start of MODEL   10
 6969    HA   GLN  52           HA       GLN  52  -2.212   7.440   1.748
  Start of MODEL   10
 6970    HB2  GLN  52           HB2      GLN  52  -4.526   6.923   1.351
  Start of MODEL   10
 6971    HB3  GLN  52           HB3      GLN  52  -4.104   5.655   0.211
  Start of MODEL   10
 6972    HG2  GLN  52           HG2      GLN  52  -4.068   4.157   1.828
  Start of MODEL   10
 6973    HG3  GLN  52           HG3      GLN  52  -2.862   5.087   2.714
  Start of MODEL   10
 6974   HE22  GLN  52          HE21      GLN  52  -6.776   5.164   3.803
  Start of MODEL   10
 6975   HE21  GLN  52          HE22      GLN  52  -6.266   4.437   2.321
  Start of MODEL   10
 6976    H    ALA  53           H        ALA  53  -1.706   5.462  -1.155
  Start of MODEL   10
 6977    HA   ALA  53           HA       ALA  53  -0.185   3.473   0.251
  Start of MODEL   10
 6978    HB3  ALA  53           HB1      ALA  53   0.179   2.427  -1.857
  Start of MODEL   10
 6979    HB2  ALA  53           HB2      ALA  53  -0.291   3.891  -2.726
  Start of MODEL   10
 6980    HB1  ALA  53           HB3      ALA  53  -1.494   2.987  -1.807
  Start of MODEL   10
 6981    H    VAL  54           H        VAL  54   0.708   6.021  -2.109
  Start of MODEL   10
 6982    HA   VAL  54           HA       VAL  54   3.472   5.526  -2.037
  Start of MODEL   10
 6983    HB   VAL  54           HB       VAL  54   3.779   7.726  -3.039
  Start of MODEL   10
 6984    H    LYS  55           H        LYS  55   1.473   7.545   0.110
  Start of MODEL   10
 6985    HA   LYS  55           HA       LYS  55   3.563   8.905   1.431
  Start of MODEL   10
 6986    HB3  LYS  55           HB2      LYS  55   2.018   9.106   3.342
  Start of MODEL   10
 6987    HB2  LYS  55           HB3      LYS  55   0.987   7.864   2.653
  Start of MODEL   10
 6988    HG3  LYS  55           HG2      LYS  55   0.374  10.389   2.453
  Start of MODEL   10
 6989    HG2  LYS  55           HG3      LYS  55   0.050   9.269   1.132
  Start of MODEL   10
 6990    HD2  LYS  55           HD2      LYS  55   2.511  11.012   1.328
  Start of MODEL   10
 6991    HD3  LYS  55           HD3      LYS  55   2.016  10.023  -0.046
  Start of MODEL   10
 6992    HE3  LYS  55           HE2      LYS  55   0.532  12.409   1.050
  Start of MODEL   10
 6993    HE2  LYS  55           HE3      LYS  55   0.003  11.407  -0.302
  Start of MODEL   10
 6994    HZ2  LYS  55           HZ1      LYS  55   1.091  13.424  -1.063
  Start of MODEL   10
 6995    HZ1  LYS  55           HZ2      LYS  55   1.984  12.062  -1.519
  Start of MODEL   10
 6996    HZ3  LYS  55           HZ3      LYS  55   2.501  13.015  -0.220
  Start of MODEL   10
 6997    H    LYS  56           H        LYS  56   2.094   5.797   1.820
  Start of MODEL   10
 6998    HA   LYS  56           HA       LYS  56   3.582   4.937   4.085
  Start of MODEL   10
 6999    HB3  LYS  56           HB2      LYS  56   2.779   2.600   3.027
  Start of MODEL   10
 7000    HB2  LYS  56           HB3      LYS  56   1.690   3.693   2.196
  Start of MODEL   10
 7001    HG2  LYS  56           HG2      LYS  56   0.423   3.186   4.018
  Start of MODEL   10
 7002    HG3  LYS  56           HG3      LYS  56   1.822   2.979   5.066
  Start of MODEL   10
 7003    HD2  LYS  56           HD2      LYS  56   1.400   4.991   5.913
  Start of MODEL   10
 7004    HD3  LYS  56           HD3      LYS  56   1.863   5.682   4.365
  Start of MODEL   10
 7005    HE3  LYS  56           HE2      LYS  56  -0.869   4.689   4.363
  Start of MODEL   10
 7006    HE2  LYS  56           HE3      LYS  56  -0.221   6.250   3.857
  Start of MODEL   10
 7007    HZ3  LYS  56           HZ1      LYS  56  -0.815   5.452   6.657
  Start of MODEL   10
 7008    HZ2  LYS  56           HZ2      LYS  56  -1.757   6.484   5.704
  Start of MODEL   10
 7009    HZ1  LYS  56           HZ3      LYS  56  -0.200   6.951   6.168
  Start of MODEL   10
 7010    H    LEU  57           H        LEU  57   3.939   4.571   0.588
  Start of MODEL   10
 7011    HA   LEU  57           HA       LEU  57   6.051   2.790   0.489
  Start of MODEL   10
 7012    HB3  LEU  57           HB2      LEU  57   5.679   5.145  -1.336
  Start of MODEL   10
 7013    HB2  LEU  57           HB3      LEU  57   4.628   3.743  -1.390
  Start of MODEL   10
 7014    HG   LEU  57           HG       LEU  57   7.399   4.100  -2.326
  Start of MODEL   10
 7015   HD13  LEU  57          HD11      LEU  57   6.541   2.503  -4.072
  Start of MODEL   10
 7016   HD12  LEU  57          HD12      LEU  57   5.710   4.060  -3.970
  Start of MODEL   10
 7017   HD11  LEU  57          HD13      LEU  57   4.972   2.615  -3.271
  Start of MODEL   10
 7018   HD23  LEU  57          HD21      LEU  57   7.874   2.376  -0.766
  Start of MODEL   10
 7019   HD22  LEU  57          HD22      LEU  57   7.712   1.595  -2.337
  Start of MODEL   10
 7020   HD21  LEU  57          HD23      LEU  57   6.394   1.509  -1.171
  Start of MODEL   10
 7021    H    VAL  58           H        VAL  58   6.042   6.286   0.875
  Start of MODEL   10
 7022    HA   VAL  58           HA       VAL  58   8.799   6.760   0.686
  Start of MODEL   10
 7023    HB   VAL  58           HB       VAL  58   6.679   8.273   2.217
  Start of MODEL   10
 7024    H    LYS  59           H        LYS  59   6.853   5.642   3.379
  Start of MODEL   10
 7025    HA   LYS  59           HA       LYS  59   8.396   6.218   5.569
  Start of MODEL   10
 7026    HB3  LYS  59           HB2      LYS  59   6.545   3.971   4.888
  Start of MODEL   10
 7027    HB2  LYS  59           HB3      LYS  59   6.283   5.331   5.957
  Start of MODEL   10
 7028    HG3  LYS  59           HG2      LYS  59   6.621   3.819   7.584
  Start of MODEL   10
 7029    HG2  LYS  59           HG3      LYS  59   8.331   4.040   7.212
  Start of MODEL   10
 7030    HD2  LYS  59           HD2      LYS  59   7.796   2.217   5.375
  Start of MODEL   10
 7031    HD3  LYS  59           HD3      LYS  59   8.216   1.770   7.032
  Start of MODEL   10
 7032    HE2  LYS  59           HE2      LYS  59   5.786   1.671   7.561
  Start of MODEL   10
 7033    HE3  LYS  59           HE3      LYS  59   5.444   1.969   5.854
  Start of MODEL   10
 7034    HZ2  LYS  59           HZ1      LYS  59   6.753  -0.397   7.061
  Start of MODEL   10
 7035    HZ1  LYS  59           HZ2      LYS  59   6.819  -0.076   5.401
  Start of MODEL   10
 7036    HZ3  LYS  59           HZ3      LYS  59   5.327  -0.342   6.152
  Start of MODEL   10
 7037    H    ARG  60           H        ARG  60   8.873   3.611   3.232
  Start of MODEL   10
 7038    HA   ARG  60           HA       ARG  60  10.572   1.914   4.520
  Start of MODEL   10
 7039    HB2  ARG  60           HB2      ARG  60  11.015   2.900   1.720
  Start of MODEL   10
 7040    HB3  ARG  60           HB3      ARG  60  11.591   1.386   2.386
  Start of MODEL   10
 7041    HG2  ARG  60           HG2      ARG  60   9.199   0.724   2.715
  Start of MODEL   10
 7042    HG3  ARG  60           HG3      ARG  60   8.741   2.172   1.821
  Start of MODEL   10
 7043    HD2  ARG  60           HD2      ARG  60  10.408  -0.118   0.808
  Start of MODEL   10
 7044    HD3  ARG  60           HD3      ARG  60   8.755   0.261   0.348
  Start of MODEL   10
 7045    HE   ARG  60           HE       ARG  60  10.523   2.429  -0.188
  Start of MODEL   10
 7046   HH11  ARG  60          HH11      ARG  60   9.449  -0.668  -1.418
  Start of MODEL   10
 7047   HH12  ARG  60          HH12      ARG  60   9.840  -0.287  -3.060
  Start of MODEL   10
 7048   HH22  ARG  60          HH21      ARG  60  10.738   1.747  -3.589
  Start of MODEL   10
 7049   HH21  ARG  60          HH22      ARG  60  11.036   2.920  -2.351
  Start of MODEL   10
 7050    H    ALA  61           H        ALA  61  11.785   4.682   2.610
  Start of MODEL   10
 7051    HA   ALA  61           HA       ALA  61  13.917   5.588   2.583
  Start of MODEL   10
 7052    HB3  ALA  61           HB1      ALA  61  12.678   7.131   3.875
  Start of MODEL   10
 7053    HB2  ALA  61           HB2      ALA  61  14.233   6.939   4.684
  Start of MODEL   10
 7054    HB1  ALA  61           HB3      ALA  61  12.801   6.129   5.322
  Start of MODEL   10
 7055    H    ALA  62           H        ALA  62  14.467   5.148   5.973
  Start of MODEL   10
 7056    HA   ALA  62           HA       ALA  62  16.200   2.857   5.602
  Start of MODEL   10
 7057    HB3  ALA  62           HB1      ALA  62  17.639   4.735   4.993
  Start of MODEL   10
 7058    HB2  ALA  62           HB2      ALA  62  18.175   3.988   6.498
  Start of MODEL   10
 7059    HB1  ALA  62           HB3      ALA  62  17.288   5.511   6.537
  Start of MODEL   10
 7060    H    GLY  63           H        GLY  63  16.646   1.740   7.511
  Start of MODEL   10
 7061    HA2  GLY  63           HA2      GLY  63  16.409   1.106   9.713
  Start of MODEL   10
 7062    HA3  GLY  63           HA3      GLY  63  16.118   2.797  10.107
  Start of MODEL   10
 7063    H    GLN  64           H        GLN  64  14.171   1.125   7.746
  Start of MODEL   10
 7064    HA   GLN  64           HA       GLN  64  11.958   0.887   9.662
  Start of MODEL   10
 7065    HB2  GLN  64           HB2      GLN  64  11.916   2.161   6.934
  Start of MODEL   10
 7066    HB3  GLN  64           HB3      GLN  64  10.451   1.634   7.746
  Start of MODEL   10
 7067    HG3  GLN  64           HG2      GLN  64  11.099   4.086   7.941
  Start of MODEL   10
 7068    HG2  GLN  64           HG3      GLN  64  12.371   3.546   9.032
  Start of MODEL   10
 7069   HE22  GLN  64          HE21      GLN  64  10.256   2.974  11.744
  Start of MODEL   10
 7070   HE21  GLN  64          HE22      GLN  64  11.835   2.791  11.069
  Start of MODEL   10
 7071    H    ASP  65           H        ASP  65  10.038  -0.151   7.984
  Start of MODEL   10
 7072    HA   ASP  65           HA       ASP  65  10.631  -2.857   7.930
  Start of MODEL   10
 7073    HB2  ASP  65           HB2      ASP  65   8.344  -1.847   7.813
  Start of MODEL   10
 7074    HB3  ASP  65           HB3      ASP  65   8.647  -1.434   6.130
  Start of MODEL   10
 7075    H    ASP  66           H        ASP  66  11.355  -0.369   5.637
  Start of MODEL   10
 7076    HA   ASP  66           HA       ASP  66  12.341  -0.302   3.614
  Start of MODEL   10
 7077    HB2  ASP  66           HB2      ASP  66  13.889  -2.543   4.847
  Start of MODEL   10
 7078    HB3  ASP  66           HB3      ASP  66  14.355  -1.704   3.375
  Start of MODEL   10
 7079    H    VAL  67           H        VAL  67  12.101  -0.863   1.623
  Start of MODEL   10
 7080    HA   VAL  67           HA       VAL  67  10.602  -1.944   0.064
  Start of MODEL   10
 7081    HB   VAL  67           HB       VAL  67  12.990  -3.737  -0.106
  Start of MODEL   10
 7082    HA   PRO  68           HA       PRO  68   9.172  -5.525   2.692
  Start of MODEL   10
 7083    HB3  PRO  68           HB2      PRO  68   7.028  -4.982   3.267
  Start of MODEL   10
 7084    HB2  PRO  68           HB3      PRO  68   6.618  -4.478   1.623
  Start of MODEL   10
 7085    HG3  PRO  68           HG2      PRO  68   8.031  -2.955   3.777
  Start of MODEL   10
 7086    HG2  PRO  68           HG3      PRO  68   6.774  -2.404   2.657
  Start of MODEL   10
 7087    HD3  PRO  68           HD2      PRO  68   9.367  -1.827   2.267
  Start of MODEL   10
 7088    HD2  PRO  68           HD3      PRO  68   8.280  -2.153   0.904
  Start of MODEL   10
 7089    H    GLY  69           H        GLY  69   8.840  -4.486  -0.597
  Start of MODEL   10
 7090    HA2  GLY  69           HA2      GLY  69   8.907  -5.832  -2.502
  Start of MODEL   10
 7091    HA3  GLY  69           HA3      GLY  69   8.674  -7.249  -1.486
  Start of MODEL   10
 7092    H    ASP  70           H        ASP  70   6.409  -6.031  -0.091
  Start of MODEL   10
 7093    HA   ASP  70           HA       ASP  70   4.346  -6.745  -1.976
  Start of MODEL   10
 7094    HB2  ASP  70           HB2      ASP  70   4.438  -6.250   0.986
  Start of MODEL   10
 7095    HB3  ASP  70           HB3      ASP  70   2.890  -6.276   0.140
  Start of MODEL   10
 7096    H    LEU  71           H        LEU  71   5.850  -3.791  -0.991
  Start of MODEL   10
 7097    HA   LEU  71           HA       LEU  71   3.416  -2.237  -1.365
  Start of MODEL   10
 7098    HB3  LEU  71           HB2      LEU  71   4.825  -0.250  -1.149
  Start of MODEL   10
 7099    HB2  LEU  71           HB3      LEU  71   6.264  -1.255  -1.159
  Start of MODEL   10
 7100    HG   LEU  71           HG       LEU  71   5.454  -2.311   0.950
  Start of MODEL   10
 7101   HD13  LEU  71          HD11      LEU  71   6.162  -0.488   2.349
  Start of MODEL   10
 7102   HD12  LEU  71          HD12      LEU  71   5.774   0.681   1.086
  Start of MODEL   10
 7103   HD11  LEU  71          HD13      LEU  71   7.095  -0.463   0.853
  Start of MODEL   10
 7104   HD22  LEU  71          HD21      LEU  71   3.109  -1.929   0.890
  Start of MODEL   10
 7105   HD21  LEU  71          HD22      LEU  71   3.324  -0.190   0.679
  Start of MODEL   10
 7106   HD23  LEU  71          HD23      LEU  71   3.730  -0.950   2.219
  Start of MODEL   10
 7107    H    ARG  72           H        ARG  72   6.536  -2.561  -3.052
  Start of MODEL   10
 7108    HA   ARG  72           HA       ARG  72   5.919  -1.007  -5.277
  Start of MODEL   10
 7109    HB2  ARG  72           HB2      ARG  72   8.147  -2.152  -4.594
  Start of MODEL   10
 7110    HB3  ARG  72           HB3      ARG  72   7.533  -3.504  -5.525
  Start of MODEL   10
 7111    HG2  ARG  72           HG2      ARG  72   7.168  -1.504  -7.294
  Start of MODEL   10
 7112    HG3  ARG  72           HG3      ARG  72   8.583  -0.918  -6.424
  Start of MODEL   10
 7113    HD3  ARG  72           HD2      ARG  72   9.067  -2.310  -8.461
  Start of MODEL   10
 7114    HD2  ARG  72           HD3      ARG  72   8.370  -3.685  -7.598
  Start of MODEL   10
 7115    HE   ARG  72           HE       ARG  72  10.509  -2.298  -6.217
  Start of MODEL   10
 7116   HH11  ARG  72          HH11      ARG  72   9.663  -4.957  -8.341
  Start of MODEL   10
 7117   HH12  ARG  72          HH12      ARG  72  11.100  -5.853  -7.984
  Start of MODEL   10
 7118   HH21  ARG  72          HH21      ARG  72  12.394  -3.487  -5.759
  Start of MODEL   10
 7119   HH22  ARG  72          HH22      ARG  72  12.648  -5.021  -6.522
  Start of MODEL   10
 7120    H    ALA  73           H        ALA  73   5.748  -4.537  -5.020
  Start of MODEL   10
 7121    HA   ALA  73           HA       ALA  73   4.529  -5.127  -7.415
  Start of MODEL   10
 7122    HB1  ALA  73           HB1      ALA  73   4.019  -6.515  -4.777
  Start of MODEL   10
 7123    HB3  ALA  73           HB2      ALA  73   5.350  -6.853  -5.883
  Start of MODEL   10
 7124    HB2  ALA  73           HB3      ALA  73   3.690  -7.184  -6.376
  Start of MODEL   10
 7125    H    LYS  74           H        LYS  74   3.166  -3.840  -4.519
  Start of MODEL   10
 7126    HA   LYS  74           HA       LYS  74   0.414  -4.084  -5.292
  Start of MODEL   10
 7127    HB3  LYS  74           HB2      LYS  74   1.300  -2.055  -3.318
  Start of MODEL   10
 7128    HB2  LYS  74           HB3      LYS  74   1.507  -3.738  -2.900
  Start of MODEL   10
 7129    HG3  LYS  74           HG2      LYS  74  -1.140  -2.672  -3.818
  Start of MODEL   10
 7130    HG2  LYS  74           HG3      LYS  74  -0.627  -2.554  -2.135
  Start of MODEL   10
 7131    HD2  LYS  74           HD2      LYS  74  -0.901  -5.097  -3.739
  Start of MODEL   10
 7132    HD3  LYS  74           HD3      LYS  74  -0.331  -5.000  -2.072
  Start of MODEL   10
 7133    HE2  LYS  74           HE2      LYS  74  -2.475  -4.088  -1.370
  Start of MODEL   10
 7134    HE3  LYS  74           HE3      LYS  74  -3.050  -4.115  -3.037
  Start of MODEL   10
 7135    HZ3  LYS  74           HZ1      LYS  74  -2.842  -6.521  -3.035
  Start of MODEL   10
 7136    HZ2  LYS  74           HZ2      LYS  74  -3.862  -6.014  -1.785
  Start of MODEL   10
 7137    HZ1  LYS  74           HZ3      LYS  74  -2.278  -6.499  -1.440
  Start of MODEL   10
 7138    H    VAL  75           H        VAL  75   2.891  -1.611  -5.316
  Start of MODEL   10
 7139    HA   VAL  75           HA       VAL  75   1.273   0.486  -6.355
  Start of MODEL   10
 7140    HB   VAL  75           HB       VAL  75   4.281   0.160  -6.438
  Start of MODEL   10
 7141    H    MET  76           H        MET  76   3.842  -1.497  -7.950
  Start of MODEL   10
 7142    HA   MET  76           HA       MET  76   3.383  -0.585 -10.525
  Start of MODEL   10
 7143    HB3  MET  76           HB2      MET  76   5.331  -1.946  -9.892
  Start of MODEL   10
 7144    HB2  MET  76           HB3      MET  76   4.520  -2.606 -11.303
  Start of MODEL   10
 7145    HG3  MET  76           HG2      MET  76   3.662  -3.726  -8.726
  Start of MODEL   10
 7146    HG2  MET  76           HG3      MET  76   5.342  -4.031  -9.150
  Start of MODEL   10
 7147    HE1  MET  76           HE1      MET  76   5.890  -4.742 -11.798
  Start of MODEL   10
 7148    HE3  MET  76           HE2      MET  76   5.247  -6.352 -12.125
  Start of MODEL   10
 7149    HE2  MET  76           HE3      MET  76   6.050  -6.019 -10.591
  Start of MODEL   10
 7150    H    GLY  77           H        GLY  77   1.911  -3.353  -8.872
  Start of MODEL   10
 7151    HA2  GLY  77           HA2      GLY  77   0.282  -4.219 -10.995
  Start of MODEL   10
 7152    HA3  GLY  77           HA3      GLY  77  -0.011  -4.551  -9.301
  Start of MODEL   10
 7153    H    ARG  78           H        ARG  78  -0.162  -1.669  -8.616
  Start of MODEL   10
 7154    HA   ARG  78           HA       ARG  78  -2.951  -1.277  -9.176
  Start of MODEL   10
 7155    HB3  ARG  78           HB2      ARG  78  -2.413   1.007  -8.049
  Start of MODEL   10
 7156    HB2  ARG  78           HB3      ARG  78  -0.854   0.282  -7.710
  Start of MODEL   10
 7157    HG3  ARG  78           HG2      ARG  78  -1.968  -0.206  -5.773
  Start of MODEL   10
 7158    HG2  ARG  78           HG3      ARG  78  -2.320  -1.657  -6.713
  Start of MODEL   10
 7159    HD3  ARG  78           HD2      ARG  78  -4.429  -1.174  -6.025
  Start of MODEL   10
 7160    HD2  ARG  78           HD3      ARG  78  -4.394  -0.193  -7.493
  Start of MODEL   10
 7161    HE   ARG  78           HE       ARG  78  -3.475   1.381  -5.372
  Start of MODEL   10
 7162   HH11  ARG  78          HH11      ARG  78  -6.443  -0.157  -6.417
  Start of MODEL   10
 7163   HH12  ARG  78          HH12      ARG  78  -7.462   1.011  -5.646
  Start of MODEL   10
 7164   HH22  ARG  78          HH21      ARG  78  -6.543   2.754  -4.482
  Start of MODEL   10
 7165   HH21  ARG  78          HH22      ARG  78  -4.823   2.915  -4.362
  Start of MODEL   10
 7166    H    LEU  79           H        LEU  79   0.153   0.135 -10.185
  Start of MODEL   10
 7167    HA   LEU  79           HA       LEU  79  -0.902   2.184 -11.811
  Start of MODEL   10
 7168    HB3  LEU  79           HB2      LEU  79   1.697   0.684 -11.764
  Start of MODEL   10
 7169    HB2  LEU  79           HB3      LEU  79   1.395   2.376 -11.425
  Start of MODEL   10
 7170    HG   LEU  79           HG       LEU  79   1.595   1.018 -14.111
  Start of MODEL   10
 7171   HD11  LEU  79          HD11      LEU  79   3.557   2.063 -12.669
  Start of MODEL   10
 7172   HD13  LEU  79          HD12      LEU  79   2.978   3.547 -13.426
  Start of MODEL   10
 7173   HD12  LEU  79          HD13      LEU  79   3.504   2.194 -14.427
  Start of MODEL   10
 7174   HD23  LEU  79          HD21      LEU  79  -0.068   2.373 -14.781
  Start of MODEL   10
 7175   HD22  LEU  79          HD22      LEU  79   1.191   3.604 -14.772
  Start of MODEL   10
 7176   HD21  LEU  79          HD23      LEU  79   0.099   3.448 -13.396
  Start of MODEL   10
 7177    H    ASP  80           H        ASP  80   0.295  -1.065 -12.652
  Start of MODEL   10
 7178    HA   ASP  80           HA       ASP  80  -0.472  -1.199 -15.286
  Start of MODEL   10
 7179    HB3  ASP  80           HB2      ASP  80  -0.598  -3.436 -13.222
  Start of MODEL   10
 7180    HB2  ASP  80           HB3      ASP  80   0.846  -2.937 -14.108
  Start of MODEL   10
 7181    H    LEU  81           H        LEU  81  -2.443  -1.360 -12.402
  Start of MODEL   10
 7182    HA   LEU  81           HA       LEU  81  -4.813  -2.265 -13.763
  Start of MODEL   10
 7183    HB2  LEU  81           HB2      LEU  81  -5.055  -2.934 -11.619
  Start of MODEL   10
 7184    HB3  LEU  81           HB3      LEU  81  -3.919  -1.744 -11.027
  Start of MODEL   10
 7185    HG   LEU  81           HG       LEU  81  -5.720  -0.036 -11.092
  Start of MODEL   10
 7186   HD12  LEU  81          HD11      LEU  81  -6.721  -0.702  -9.071
  Start of MODEL   10
 7187   HD11  LEU  81          HD12      LEU  81  -5.126  -1.450  -9.080
  Start of MODEL   10
 7188   HD13  LEU  81          HD13      LEU  81  -6.553  -2.414  -9.458
  Start of MODEL   10
 7189   HD22  LEU  81          HD21      LEU  81  -7.756  -2.175 -11.341
  Start of MODEL   10
 7190   HD21  LEU  81          HD22      LEU  81  -6.992  -1.586 -12.814
  Start of MODEL   10
 7191   HD23  LEU  81          HD23      LEU  81  -7.845  -0.464 -11.756
  Start of MODEL   10
 7192    H    ILE  82           H        ILE  82  -3.442   0.672 -12.458
  Start of MODEL   10
 7193    HA   ILE  82           HA       ILE  82  -5.608   2.429 -12.972
  Start of MODEL   10
 7194    HB   ILE  82           HB       ILE  82  -2.658   2.922 -12.570
  Start of MODEL   10
 7195   HD12  ILE  82          HD11      ILE  82  -3.346   4.043  -9.155
  Start of MODEL   10
 7196   HD11  ILE  82          HD12      ILE  82  -2.267   4.267 -10.533
  Start of MODEL   10
 7197   HD13  ILE  82          HD13      ILE  82  -2.388   2.690  -9.753
  Start of MODEL   10
 7198    H    ARG  83           H        ARG  83  -2.537   2.000 -14.761
  Start of MODEL   10
 7199    HA   ARG  83           HA       ARG  83  -3.081   3.612 -16.941
  Start of MODEL   10
 7200    HB3  ARG  83           HB2      ARG  83  -0.879   2.697 -16.511
  Start of MODEL   10
 7201    HB2  ARG  83           HB3      ARG  83  -1.387   2.297 -18.140
  Start of MODEL   10
 7202    HG3  ARG  83           HG2      ARG  83  -2.081   0.240 -16.203
  Start of MODEL   10
 7203    HG2  ARG  83           HG3      ARG  83  -0.353   0.574 -16.259
  Start of MODEL   10
 7204    HD2  ARG  83           HD2      ARG  83  -1.999  -0.840 -18.127
  Start of MODEL   10
 7205    HD3  ARG  83           HD3      ARG  83  -1.194   0.515 -18.912
  Start of MODEL   10
 7206    HE   ARG  83           HE       ARG  83   0.029  -1.884 -17.875
  Start of MODEL   10
 7207   HH11  ARG  83          HH11      ARG  83   0.592   1.439 -18.845
  Start of MODEL   10
 7208   HH12  ARG  83          HH12      ARG  83   2.280   1.192 -19.135
  Start of MODEL   10
 7209   HH22  ARG  83          HH21      ARG  83   3.220  -0.865 -18.804
  Start of MODEL   10
 7210   HH21  ARG  83          HH22      ARG  83   2.250  -2.193 -18.260
  Start of MODEL   10
 7211    H    SER  84           H        SER  84  -4.082   0.280 -16.351
  Start of MODEL   10
 7212    HA   SER  84           HA       SER  84  -5.136  -0.122 -18.983
  Start of MODEL   10
 7213    HB2  SER  84           HB2      SER  84  -4.355  -1.993 -17.539
  Start of MODEL   10
 7214    HB3  SER  84           HB3      SER  84  -5.720  -1.688 -16.458
  Start of MODEL   10
 7215    HG   SER  84           HG       SER  84  -6.157  -3.349 -17.984
  Start of MODEL   10
 7216    H    GLY  85           H        GLY  85  -6.454   0.933 -15.885
  Start of MODEL   10
 7217    HA2  GLY  85           HA2      GLY  85  -8.329   2.552 -16.136
  Start of MODEL   10
 7218    HA3  GLY  85           HA3      GLY  85  -9.055   1.354 -17.195
  Start of MODEL   10
 7219    H    GLN  86           H        GLN  86 -10.915   1.067 -16.000
  Start of MODEL   10
 7220    HA   GLN  86           HA       GLN  86 -12.303   0.354 -14.362
  Start of MODEL   10
 7221    HB2  GLN  86           HB2      GLN  86 -10.430  -1.635 -14.973
  Start of MODEL   10
 7222    HB3  GLN  86           HB3      GLN  86 -10.596  -1.679 -13.221
  Start of MODEL   10
 7223    HG3  GLN  86           HG2      GLN  86 -12.538  -2.363 -15.338
  Start of MODEL   10
 7224    HG2  GLN  86           HG3      GLN  86 -13.181  -1.553 -13.912
  Start of MODEL   10
 7225   HE21  GLN  86          HE21      GLN  86 -11.504  -4.393 -15.086
  Start of MODEL   10
 7226   HE22  GLN  86          HE22      GLN  86 -11.823  -5.385 -13.708
  Start of MODEL   10
 7227    H    SER  87           H        SER  87 -12.676   1.718 -12.719
  Start of MODEL   10
 7228    HA   SER  87           HA       SER  87 -10.664   2.472 -10.828
  Start of MODEL   10
 7229    HB3  SER  87           HB2      SER  87 -13.583   2.926 -10.318
  Start of MODEL   10
 7230    HB2  SER  87           HB3      SER  87 -12.798   3.793 -11.637
  Start of MODEL   10
 7231    HG   SER  87           HG       SER  87 -12.737   4.949  -9.650
  Start of MODEL   10
 7232    H    VAL  88           H        VAL  88 -10.095   1.384  -9.035
  Start of MODEL   10
 7233    HA   VAL  88           HA       VAL  88 -11.899  -0.709  -8.063
  Start of MODEL   10
 7234    HB   VAL  88           HB       VAL  88  -9.000  -0.676  -7.346
  Start of MODEL   10
 7235    HA   PRO  89           HA       PRO  89 -12.265   2.010  -4.491
  Start of MODEL   10
 7236    HB3  PRO  89           HB2      PRO  89 -14.538   1.726  -4.638
  Start of MODEL   10
 7237    HB2  PRO  89           HB3      PRO  89 -14.262   0.570  -3.326
  Start of MODEL   10
 7238    HG2  PRO  89           HG2      PRO  89 -14.292  -1.253  -4.764
  Start of MODEL   10
 7239    HG3  PRO  89           HG3      PRO  89 -15.439  -0.192  -5.596
  Start of MODEL   10
 7240    HD2  PRO  89           HD2      PRO  89 -13.242  -1.233  -6.778
  Start of MODEL   10
 7241    HD3  PRO  89           HD3      PRO  89 -13.918   0.344  -7.216
  Start of MODEL   10
 7242    H    GLU  90           H        GLU  90 -12.330   1.531  -2.060
  Start of MODEL   10
 7243    HA   GLU  90           HA       GLU  90 -11.375   0.649  -0.199
  Start of MODEL   10
 7244    HB3  GLU  90           HB2      GLU  90 -11.297  -1.723   0.078
  Start of MODEL   10
 7245    HB2  GLU  90           HB3      GLU  90 -11.326  -1.970  -1.654
  Start of MODEL   10
 7246    HG2  GLU  90           HG2      GLU  90 -13.560  -0.923   0.059
  Start of MODEL   10
 7247    HG3  GLU  90           HG3      GLU  90 -13.606  -0.975  -1.702
  Start of MODEL   10
 7248    H    HIS  91           H        HIS  91  -9.382  -0.459   0.663
  Start of MODEL   10
 7249    HA   HIS  91           HA       HIS  91  -7.115  -0.103  -1.199
  Start of MODEL   10
 7250    HB3  HIS  91           HB2      HIS  91  -5.798   0.494   0.879
  Start of MODEL   10
 7251    HB2  HIS  91           HB3      HIS  91  -7.336   0.570   1.732
  Start of MODEL   10
 7252    HD1  HIS  91           HD1      HIS  91  -5.191   2.449  -0.639
  Start of MODEL   10
 7253    HD2  HIS  91           HD2      HIS  91  -8.997   2.754   1.003
  Start of MODEL   10
 7254    HE1  HIS  91           HE1      HIS  91  -5.954   4.793  -1.139
  Start of MODEL   10
 7255    HE2  HIS  91           HE2      HIS  91  -8.293   4.925  -0.213
  Start of MODEL   10
 7256    H    ASP  92           H        ASP  92  -8.821  -2.487   0.175
  Start of MODEL   10
 7257    HA   ASP  92           HA       ASP  92  -8.409  -4.642   0.799
  Start of MODEL   10
 7258    HB2  ASP  92           HB2      ASP  92  -5.987  -4.029  -0.904
  Start of MODEL   10
 7259    HB3  ASP  92           HB3      ASP  92  -6.310  -5.637  -0.260
  Start of MODEL   10
 7260    H    VAL  93           H        VAL  93  -4.998  -3.923   0.727
  Start of MODEL   10
 7261    HA   VAL  93           HA       VAL  93  -4.720  -3.437   3.540
  Start of MODEL   10
 7262    HB   VAL  93           HB       VAL  93  -3.565  -5.948   2.303
  Start of MODEL   10
 7263    H    ALA  94           H        ALA  94  -4.166  -2.244   0.860
  Start of MODEL   10
 7264    HA   ALA  94           HA       ALA  94  -1.356  -2.364   0.422
  Start of MODEL   10
 7265    HB3  ALA  94           HB1      ALA  94  -2.927  -1.849  -1.385
  Start of MODEL   10
 7266    HB2  ALA  94           HB2      ALA  94  -1.714  -0.583  -1.199
  Start of MODEL   10
 7267    HB1  ALA  94           HB3      ALA  94  -3.347  -0.336  -0.580
  Start of MODEL   10
 7268    H    ALA  95           H        ALA  95  -3.509  -0.171   2.112
  Start of MODEL   10
 7269    HA   ALA  95           HA       ALA  95  -1.433   0.774   3.815
  Start of MODEL   10
 7270    HB2  ALA  95           HB1      ALA  95  -1.615   3.201   3.086
  Start of MODEL   10
 7271    HB1  ALA  95           HB2      ALA  95  -2.328   2.594   1.592
  Start of MODEL   10
 7272    HB3  ALA  95           HB3      ALA  95  -0.684   2.133   2.036
  Start of MODEL   10
 7273    H    ALA  96           H        ALA  96  -2.782   0.378   5.529
  Start of MODEL   10
 7274    HA   ALA  96           HA       ALA  96  -4.582   0.542   6.935
  Start of MODEL   10
 7275    HB1  ALA  96           HB1      ALA  96  -4.450   3.406   5.995
  Start of MODEL   10
 7276    HB3  ALA  96           HB2      ALA  96  -3.499   2.699   7.301
  Start of MODEL   10
 7277    HB2  ALA  96           HB3      ALA  96  -5.250   2.835   7.458
  Start of MODEL   10
 7278    HA   PRO  97           HA       PRO  97  -7.719   0.305   3.569
  Start of MODEL   10
 7279    HB2  PRO  97           HB2      PRO  97  -8.445  -2.236   3.894
  Start of MODEL   10
 7280    HB3  PRO  97           HB3      PRO  97  -6.904  -1.825   3.112
  Start of MODEL   10
 7281    HG2  PRO  97           HG2      PRO  97  -7.421  -2.639   5.964
  Start of MODEL   10
 7282    HG3  PRO  97           HG3      PRO  97  -6.203  -3.261   4.835
  Start of MODEL   10
 7283    HD2  PRO  97           HD2      PRO  97  -5.672  -1.351   6.701
  Start of MODEL   10
 7284    HD3  PRO  97           HD3      PRO  97  -4.811  -1.458   5.152
  Start of MODEL   10
 7285    H    SER  98           H        SER  98  -9.730   1.016   3.866
  Start of MODEL   10
 7286    HA   SER  98           HA       SER  98 -10.899   1.079   6.500
  Start of MODEL   10
 7287    HB2  SER  98           HB2      SER  98 -12.721   2.355   5.394
  Start of MODEL   10
 7288    HB3  SER  98           HB3      SER  98 -11.125   3.025   5.054
  Start of MODEL   10
 7289    HG   SER  98           HG       SER  98 -12.428   2.864   3.171
  Start of MODEL   10
 7290    H    SER  99           H        SER  99 -11.325  -0.796   3.573
  Start of MODEL   10
 7291    HA   SER  99           HA       SER  99 -13.883  -1.828   3.977
  Start of MODEL   10
 7292    HB2  SER  99           HB2      SER  99 -13.159  -3.718   2.551
  Start of MODEL   10
 7293    HB3  SER  99           HB3      SER  99 -12.656  -2.158   1.891
  Start of MODEL   10
 7294    HG   SER  99           HG       SER  99 -10.611  -2.625   2.293
  Start of MODEL   10
 7295    H    SER 100           H        SER 100 -10.887  -2.608   5.585
  Start of MODEL   10
 7296    HA   SER 100           HA       SER 100 -10.400  -3.890   7.387
  Start of MODEL   10
 7297    HB2  SER 100           HB2      SER 100 -13.375  -4.356   7.697
  Start of MODEL   10
 7298    HB3  SER 100           HB3      SER 100 -12.132  -4.512   8.939
  Start of MODEL   10
 7299    HG   SER 100           HG       SER 100 -12.004  -2.374   9.112
  Start of MODEL   10
 7300    H    ALA 101           H        ALA 101  -9.688  -5.202   5.387
  Start of MODEL   10
 7301    HA   ALA 101           HA       ALA 101 -10.662  -7.943   5.775
  Start of MODEL   10
 7302    HB3  ALA 101           HB1      ALA 101 -11.820  -7.112   3.794
  Start of MODEL   10
 7303    HB2  ALA 101           HB2      ALA 101 -10.659  -8.368   3.366
  Start of MODEL   10
 7304    HB1  ALA 101           HB3      ALA 101 -10.276  -6.674   3.063
  Start of MODEL   10
 7305    HA   PRO 102           HA       PRO 102  -5.967  -7.356   6.056
  Start of MODEL   10
 7306    HB3  PRO 102           HB2      PRO 102  -5.407  -8.186   8.137
  Start of MODEL   10
 7307    HB2  PRO 102           HB3      PRO 102  -6.560  -9.522   8.032
  Start of MODEL   10
 7308    HG2  PRO 102           HG2      PRO 102  -7.680  -8.049   9.471
  Start of MODEL   10
 7309    HG3  PRO 102           HG3      PRO 102  -7.071  -6.623   8.605
  Start of MODEL   10
 7310    HD2  PRO 102           HD2      PRO 102  -9.260  -8.518   7.831
  Start of MODEL   10
 7311    HD3  PRO 102           HD3      PRO 102  -9.189  -6.750   7.672
  Start of MODEL   10
 7312    H    GLN 103           H        GLN 103  -7.787 -10.431   6.300
  Start of MODEL   10
 7313    HA   GLN 103           HA       GLN 103  -6.566 -11.459   3.910
  Start of MODEL   10
 7314    HB3  GLN 103           HB2      GLN 103  -6.025 -13.113   6.354
  Start of MODEL   10
 7315    HB2  GLN 103           HB3      GLN 103  -4.925 -11.822   5.920
  Start of MODEL   10
 7316    HG3  GLN 103           HG2      GLN 103  -3.918 -13.542   4.865
  Start of MODEL   10
 7317    HG2  GLN 103           HG3      GLN 103  -4.994 -12.990   3.593
  Start of MODEL   10
 7318   HE21  GLN 103          HE21      GLN 103  -4.593 -15.389   6.128
  Start of MODEL   10
 7319   HE22  GLN 103          HE22      GLN 103  -5.618 -16.582   5.415
  Start of MODEL   10
 7320    H    GLU 104           H        GLU 104  -9.075 -11.128   3.916
  Start of MODEL   10
 7321    HA   GLU 104           HA       GLU 104 -10.532 -13.362   5.078
  Start of MODEL   10
 7322    HB2  GLU 104           HB2      GLU 104 -11.395 -10.973   3.444
  Start of MODEL   10
 7323    HB3  GLU 104           HB3      GLU 104 -12.504 -12.253   3.919
  Start of MODEL   10
 7324    HG2  GLU 104           HG2      GLU 104 -11.889 -11.781   6.300
  Start of MODEL   10
 7325    HG3  GLU 104           HG3      GLU 104 -10.998 -10.375   5.721
  Start of MODEL   10
 7326    H    SER 105           H        SER 105 -10.453 -15.269   4.074
  Start of MODEL   10
 7327    HA   SER 105           HA       SER 105  -9.943 -15.452   1.228
  Start of MODEL   10
 7328    HB2  SER 105           HB2      SER 105  -9.945 -17.907   1.640
  Start of MODEL   10
 7329    HB3  SER 105           HB3      SER 105  -8.832 -17.040   2.697
  Start of MODEL   10
 7330    HG   SER 105           HG       SER 105 -10.084 -18.574   3.844

  No H/Q in entry =        7330