*HEADER    GROWTH FACTORS                          13-SEP-06   2J5H
*TITLE     NMR ANALYSIS OF MOUSE CRIPTO CFC DOMAIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: TERATOCARCINOMA-DERIVED GROWTH FACTOR;
*COMPND   3 SYNONYM: CRIPTO, EPIDERMAL GROWTH FACTOR-LIKE CRIPTO
*COMPND   4  PROTEIN, CRIPTO GROWTH FACTOR;
*COMPND   5 CHAIN: A;
*COMPND   6 FRAGMENT: CRIPTO DOMAIN, RESIDUES 96-134;
*COMPND   7 OTHER_DETAILS: THREE DISULFIDE BRIDGES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
*SOURCE   4 ORGANISOM_COMMON: MOUSE
*KEYWDS    GROWTH FACTORS,EGF-CFC FAMILY,CRIPTO,TUMOUR PROGRESSION,
*KEYWDS   2 CYSTEINE-RICH DOMAINS
*EXPDTA    NMR, 10 STRUCTURES
*AUTHOR    L.CALVANESE,A.SAPORITO,D.MARASCO,G.DAURIA,G.MINCHIOTTI,
*AUTHOR   2 C.PEDONE,L.PAOLILLO,L.FALCIGNO,M.RUVO




#21-09-05:Lista modificata dalla originale (cfc6def.upl) 
#con inserimento di LYS+, CASP,CYSS e GLU. Inseriamo 
#gli pseudo-atomie i vincoli per i ponti disolfuro e 
#cancellettiamo distanze inutili.

#22-09-05: 2cfcdef.upl
#cancellettiamo un contatto e aumentiamo la distanza di
#0.5 A a 6 contatti long-range

#22-09-05: 3cfcdef.upl
#cancellettiamo un contatto e aumentiamo la distanza a
#4.00 A a 3 contatti long-range

#22-09-05: 4cfc6def.upl
#portiamo a 3.6A la distanza di tutti i contatti inter-strand

#22-09-05: 5cfc6def.upl
#inseriamo 8 contatti presi dalla lista.peaks (ambigui)

#22-09-05: 6cfc6def.upl
#aumentiamo a 3.60A la distanza del contatto HA3-HA24

#28-09-05: 7cfc6def.upl
#eliminiamo il cancelletto a cinque contatti relativi
#ad interazioni di aromatici di His e Trp

#28-09-05: 8cfc6def.upl
#maggioriamo la distanza del 10% a due contatti della 
#Lys15 re cancellettiamo due contatti della Leu13(QQD)
  1 LYS+ HN      1 LYS+ HA      3.04   # peak    118
  1 LYS+ HN      1 LYS+ QB      4.44   # peak    122
  1 LYS+ HN      1 LYS+ QG      4.82   # peak    120
  1 LYS+ HN      1 LYS+ QD      4.18   # peak    121
  1 LYS+ HA      2 GLU- HN      2.92   # peak    111
  2 GLU- HN      2 GLU- HA      3.04   # peak    112
  2 GLU- HN      2 GLU- QB      4.74   # peak    113
  2 GLU- HN      2 GLU- QG      4.42   # peak    115,116
  2 GLU- QG      4 CYS  HA      6.09   # peak    254
  3 HIS+ HA      3 HIS+ QB      3.41   # peak    236,235
# 3 HIS+ HA      3 HIS+ HE1     4.90   # peak    192
# 3 HIS+ QB      3 HIS+ HD2     4.78   # peak    132
# 3 HIS+ QB      3 HIS+ HE1     4.17   # peak    196,197
  3 HIS+ HA      4 CYS  HN      2.92   # peak     50
  3 HIS+ HA     24 HIS+ HA      3.60   # peak    234old(3.49)
  3 HIS+ QB     24 HIS+ HA      4.23   # peak    289
  3 HIS+ QB     24 HIS+ HE1     4.87   # peak    215,216inser.
  4 CYS  HN      4 CYS  HA      3.38   # peak     52
  4 CYS  HA      4 CYS  QB      3.52   # peak    251,252
  4 CYS  HN     22 CYS  QB      6.54   # peak     58
  4 CYS  HA     22 CYS  QB      5.75   # peak    253
  4 CYS  SG     22 CYS  SG      2.10   # peak
  4 CYS  SG     22 CYS  CB      3.10   # peak   
  4 CYS  CB     22 CYS  SG      3.10   # peak
  6 SER  HA      6 SER  QB      4.59   # peak    283,284
  6 SER  HN      7 ILE  HN      3.83   # peak     13
  6 SER  HA      7 ILE  HN      3.19   # peak    152
  6 SER  QB      7 ILE  HN      3.96   # peak    155
  6 SER  HN     21 ARG+ HN      3.50   # peak     10old(2.96)
  6 SER  HN     22 CYS  HA      3.60   # peak     67old(3.42)
  7 ILE  HN      7 ILE  HA      3.00   # peak    153
  7 ILE  HN      7 ILE  HB      2.62   # peak    157
  7 ILE  HN      7 ILE  QG1     3.96   # peak    159,158
  7 ILE  HN      7 ILE  QD1     4.10   # peak    160
  7 ILE  HA      8 LEU  HN      3.07   # peak    134
  7 ILE  HB      8 LEU  HN      3.57   # peak    137
  8 LEU  HN      8 LEU  HA      3.26   # peak    136
  8 LEU  HN      8 LEU  QB      4.14   # peak    139
  8 LEU  HA      8 LEU  QB      3.84   # peak    286
  8 LEU  HA      8 LEU  HG      2.69   # peak    285
  8 LEU  HA      8 LEU  QQD     5.59   # peak    287
  8 LEU  HA      9 HIS+ HE1     4.48   # peak    210inser.
  8 LEU  QB      9 HIS+ HE1     6.88   # peak    214inser.
  8 LEU  QQD    18 SER  HA      6.88   # peak    250
  8 LEU  QQD    20 CYS  HA      8.13   # peak    221
  9 HIS+ HN      9 HIS+ HA      3.15   # peak    135
# 9 HIS+ HA      9 HIS+ HE1     6.00   # peak    211
# 9 HIS+ QB      9 HIS+ HE1     4.28   # peak    212,213
  9 HIS+ HA     17 CYS  HN      4.00   # peak     93old(3.34),old(3.80)
  9 HIS+ QB     18 SER  QB      5.29   # peak    295,296
  9 HIS+ HN     19 LEU  HA      4.00   # peak    133old(2.66),old(3.20)
 10 GLY  HN     10 GLY  QA      4.25   # peak     37
 10 GLY  HN     18 SER  HA      4.00   # peak     36old(2.69),old(3.20)
 10 GLY  HN     18 SER  QB      5.21   # peak     39,40
#11 THR  HB     12 TRP  HE3     6.00   # peak    183
 11 THR  HB     15 LYS+ HN      4.00   # peak     97old(3.19)old(3.60)
 11 THR  QG2    15 LYS+ HA      4.75   # peak    273
 12 TRP  HA     12 TRP  QB      3.52   # peak    227,228
#12 TRP  HA     12 TRP  HE3     5.13   # peak    177
#12 TRP  QB     12 TRP  HE3     4.17   # peak    184,185
#12 TRP  QB     12 TRP  HH2     4.59   # peak    179,178
#12 TRP  HD1    12 TRP  HE1     3.45   # peak      6
 12 TRP  HE3    13 LEU  HN      4.71   # peak      9inser.
 12 TRP  HE3    13 LEU  QB      4.26   # peak    186inser.
#12 TRP  HZ3    13 LEU  QB      5.06   # peak    206
 12 TRP  HA     13 LEU  HN      2.54   # peak     26
 12 TRP  HA     13 LEU  QQD     8.09   # peak    229,230
 12 TRP  QB     13 LEU  HN      4.19   # peak     29,30
#12 TRP  HZ2    14 PRO  QB      4.38   # peak    199
#12 TRP  HZ2    14 PRO  QG      7.00   # peak    198
#12 TRP  HZ2    14 PRO  QD      6.47   # peak    195
#12 TRP  HH2    14 PRO  QB      7.00   # peak    182
#12 TRP  HH2    14 PRO  QG      7.00   # peak    181,180
 12 TRP  HA     15 LYS+ HN      4.40   # peak     95old(3.49),old(4.00) 
 13 LEU  HN     13 LEU  HA      3.19   # peak     27
 13 LEU  HN     13 LEU  QB      3.83   # peak     32,31
 13 LEU  HN     13 LEU  QQD     5.18   # peak     33
 13 LEU  HA     13 LEU  QB      3.83   # peak    240,241
 13 LEU  HA     13 LEU  QQD     6.82   # peak    243,244
#13 LEU  HN     14 PRO  HA      3.38   # peak     28(o 13-10)
 13 LEU  HA     14 PRO  QD      3.16   # peak    237new
#13 LEU  QQD    14 PRO  HA      6.22   # peak    255
#13 LEU  QQD    15 LYS+ HN      5.84   # peak    101
#13 LEU  HN     17 CYS  HN      4.10   # peak      8old(3.61)ambiguo
 14 PRO  HA     15 LYS+ HN      2.82   # peak    103new
 14 PRO  QG     15 LYS+ HN      5.63   # peak    106
 14 PRO  QD     15 LYS+ HN      7.00   # peak     98
 15 LYS+ HN     15 LYS+ HA      2.92   # peak    104new
 15 LYS+ HN     15 LYS+ QG      4.90   # peak    109
#15 LYS+ QB     15 LYS+ QZ      6.93   # peak    150,151
 15 LYS+ QB     17 CYS  HN      4.26   # peak     94
 16 LYS+ HN     16 LYS+ HA      3.15   # peak    117
 17 CYS  HN     17 CYS  HA      2.96   # peak     92
 17 CYS  SG     38 CYS  SG      2.10   # peak
 17 CYS  SG     38 CYS  CB      3.10   # peak   
 17 CYS  CB     38 CYS  SG      3.10   # peak
 18 SER  HN     18 SER  HA      3.04   # peak    147
 18 SER  HN     18 SER  QB      3.75   # peak    148,149
 18 SER  HA     18 SER  QB      4.17   # peak    247,246
 18 SER  HA     19 LEU  HN      2.81   # peak    123
 18 SER  QB     30 LEU  HN      6.92   # peak     53,54
 18 SER  HA     31 PRO  HA      3.60   # peak    245old(3.49)
 18 SER  QB     31 PRO  HA      4.72   # peak    274,275
 19 LEU  HN     19 LEU  HA      3.00   # peak    125
 19 LEU  QQD    21 ARG+ HN      7.03   # peak     46
 19 LEU  HN     31 PRO  HA      3.60   # peak    124old(2.77)
 19 LEU  HN     31 PRO  QB      5.10   # peak    126
 19 LEU  HN     31 PRO  QG      5.52   # peak    127,128
 20 CYS  HN     20 CYS  HA      3.26   # peak     87
 20 CYS  HN     20 CYS  QB      3.75   # peak     90,89
 20 CYS  HA     20 CYS  QB      3.67   # peak    218,220
 20 CYS  HN     21 ARG+ HN      4.71   # peak     11
 20 CYS  HN     21 ARG+ QG      6.20   # peak     91
 20 CYS  HA     21 ARG+ HN      2.47   # peak     34
 20 CYS  QB     21 ARG+ HN      4.26   # peak     41,42
 20 CYS  HA     29 CYS  HA      2.28   # peak    217
 20 CYS  HA     29 CYS  QB      5.48   # peak    219
 20 CYS  QB     29 CYS  HA      4.64   # peak    224
 20 CYS  SG     29 CYS  SG      2.10   # peak
 20 CYS  SG     29 CYS  CB      3.10   # peak   
 20 CYS  CB     29 CYS  SG      3.10   # peak
 20 CYS  HA     30 LEU  HN      2.85   # peak     48
 21 ARG+ HN     21 ARG+ HA      3.26   # peak     38
 21 ARG+ HN     21 ARG+ QB      4.48   # peak     43
 21 ARG+ HN     21 ARG+ QG      4.17   # peak     45,44
 21 ARG+ HA     21 ARG+ QB      4.14   # peak    266
 21 ARG+ HA     21 ARG+ QG      4.70   # peak    267,268
#21 ARG+ QD     21 ARG+ HE      5.36   # peak    191
 21 ARG+ QG     22 CYS  HN      4.34   # peak    110
 21 ARG+ HA     22 CYS  HN      2.82   # peak    103new
#21 ARG+ QG     23 TRP  HH2     5.94   # peak    201
 21 ARG+ HN     27 LEU  QQD     6.95   # peak     47
 21 ARG+ HN     29 CYS  HA      3.60   # peak     35old(3.07)
 22 CYS  HN     22 CYS  HA      3.72   # peak     96
 22 CYS  HN     22 CYS  QB      3.37   # peak    100,99
 22 CYS  HA     22 CYS  QB      4.78   # peak    249,248
 22 CYS  HA     23 TRP  HN      2.28   # peak     21
#22 CYS  HA     23 TRP  HH2     5.96   # peak    193
 22 CYS  QB     23 TRP  HN      5.18   # peak     23
 22 CYS  QB     23 TRP  HA      5.52   # peak    232
 22 CYS  HN     27 LEU  QQD     7.18   # peak    102
 23 TRP  HN     23 TRP  HA      3.23   # peak     20
 23 TRP  HN     23 TRP  QB      3.64   # peak     22
 23 TRP  HA     23 TRP  QB      3.60   # peak    231,233
#23 TRP  HA     23 TRP  HE3     3.04   # peak    187
#23 TRP  HA     23 TRP  HZ2     6.00   # peak    171
#23 TRP  QB     23 TRP  HE3     3.61   # peak    190
#23 TRP  QB     23 TRP  HZ2     4.38   # peak    176
#23 TRP  QB     23 TRP  HE3     3.37   # peak    189
#23 TRP  QB     23 TRP  HZ2     3.94   # peak    174
#23 TRP  HD1    23 TRP  HE1     3.30   # peak      3
#23 TRP  HE1    23 TRP  HZ2     2.92   # peak      4
 23 TRP  HA     24 HIS+ HN      3.49   # peak     75
 23 TRP  QB     24 HIS+ HN      4.42   # peak     86
#23 TRP  HE3    24 HIS+ HA      3.64   # peak    188
#23 TRP  HE1    24 HIS+ HE1     3.64   # peak      5
#23 TRP  HZ2    24 HIS+ HE1     4.02   # peak     19
#23 TRP  HH2    24 HIS+ HA      5.81   # peak    194
#23 TRP  HZ2    25 GLY  QA      5.06   # peak    173
 23 TRP  HN     26 GLN  HN      3.60   # peak      7old(2.85)
 23 TRP  HN     27 LEU  QQD     6.92   # peak     25
 24 HIS+ HN     24 HIS+ HA      3.30   # peak     78new
 24 HIS+ HN     24 HIS+ QB      3.91   # peak     80
 24 HIS+ HA     24 HIS+ QB      3.57   # peak    288
#25 GLY  QA     25 GLY  QA      2.80   # peak    300
 25 GLY  QA     26 GLN  HN      3.90   # peak    163,162
 26 GLN  HN     26 GLN  HA      2.88   # peak    161
 26 GLN  HN     26 GLN  QB      3.98   # peak    167,168
 26 GLN  HN     26 GLN  QG      4.64   # peak    166,169
 26 GLN  QB     26 GLN  QE2     5.42   # peak    208
 26 GLN  QG     26 GLN  QE2     6.60   # peak    209
 26 GLN  HA     27 LEU  HN      2.20   # peak     70
 26 GLN  QB     27 LEU  HN      4.46   # peak     71new
 26 GLN  QG     27 LEU  HN      4.42   # peak     72
 27 LEU  HN     27 LEU  HA      2.58   # peak     69
 27 LEU  HN     27 LEU  QQD     6.54   # peak     74
 28 HIS+ HA     28 HIS+ QB      3.45   # peak    265,264
#28 HIS+ HA     28 HIS+ HD2     3.07   # peak     88
 29 CYS  HA     29 CYS  QB      3.56   # peak    222,223
 29 CYS  HA     30 LEU  HN      2.54   # peak     49
 29 CYS  HA     30 LEU  QB      4.83   # peak    225
 29 CYS  HA     30 LEU  QQD     8.13   # peak    226
 29 CYS  QB     30 LEU  HN      4.11   # peak     57
 30 LEU  HN     30 LEU  HA      2.85   # peak     51
 30 LEU  HN     30 LEU  QB      3.60   # peak     61,60
 30 LEU  HN     30 LEU  HG      3.68   # peak     59
 30 LEU  HN     30 LEU  QQD     6.42   # peak     62
 30 LEU  HA     30 LEU  QB      3.71   # peak    239
 30 LEU  HA     30 LEU  QQD     6.04   # peak    242
 30 LEU  HA     31 PRO  QD      3.16   # peak    237new
 30 LEU  QB     31 PRO  QD      4.07   # peak    291
 30 LEU  QQD    31 PRO  QD      7.00   # peak    292
 30 LEU  QQD    32 GLN  QE2     7.65   # peak    207
 31 PRO  QD     32 GLN  HN      3.47   # peak     79
 32 GLN  HN     32 GLN  HA      3.30   # peak     78new
 32 GLN  HN     33 THR  HN      3.23   # peak      1
 32 GLN  HN     34 PHE  QB      4.53   # peak     83,81
 33 THR  HN     33 THR  HA      3.00   # peak    130
 33 THR  HN     33 THR  HB      2.66   # peak    131
 33 THR  QG2    36 PRO  QD      5.10   # peak    298
#34 PHE  HA     34 PHE  QD      5.69   # peak    172
#34 PHE  HA     34 PHE  QE      6.64   # peak    154
#34 PHE  QB     34 PHE  QD      7.51   # peak    175
#34 PHE  QB     34 PHE  QE      7.51   # peak    165,164
#34 PHE  QD     34 PHE  QE     10.24   # peak     18
#34 PHE  QE     36 PRO  QD      7.37   # peak    156
 35 LEU  HA     35 LEU  QQD     5.33   # peak    272
 35 LEU  HA     36 PRO  QD      5.56   # peak    270,269
#36 PRO  HA     36 PRO  QB      3.45   # peak    280,278
#36 PRO  HA     36 PRO  QG      3.45   # peak    279,281
#36 PRO  HA     36 PRO  QD      4.09   # peak    277
 36 PRO  HA     37 GLY  HN      2.62   # peak     63
 36 PRO  HA     37 GLY  QA      4.42   # peak    276
 36 PRO  QB     37 GLY  HN      4.45   # peak     66
 36 PRO  HA     38 CYS  HN      3.60   # peak    142old(3.19)
 37 GLY  HN     37 GLY  QA      3.48   # peak     64,65
 37 GLY  HN     38 CYS  HN      3.00   # peak     12
#37 GLY  HA1    37 GLY  HA2     2.24   # peak    299volume rif.
 37 GLY  QA     38 CYS  HN      4.19   # peak    144,143
 37 GLY  QA     38 CYS  HA      4.68   # peak    256
 37 GLY  QA     38 CYS  QB      4.34   # peak    294,293
 38 CYS  HN     38 CYS  HA      2.88   # peak    141
 38 CYS  HN     38 CYS  QB      3.56   # peak    145,146
 38 CYS  HN     39 ASP- HN      2.81   # peak      2
 38 CYS  HA     38 CYS  QB      3.64   # peak    263,262
 38 CYS  HA     39 ASP- HN      2.96   # peak     76
 38 CYS  QB     39 ASP- HN      4.55   # peak     82,84
 39 ASP- HN     39 ASP- HA      3.00   # peak     77
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    LYS   1           H        LYS   1  13.620  11.376  -9.923
    2    HA   LYS   1           HA       LYS   1  13.809  13.467  -7.856
    3   1HB   LYS   1          2HB       LYS   1  12.699  13.364 -10.688
    4   2HB   LYS   1          3HB       LYS   1  12.297  14.681  -9.594
    5   1HG   LYS   1          2HG       LYS   1  14.084  15.389 -10.975
    6   2HG   LYS   1          3HG       LYS   1  14.644  15.280  -9.307
    7   1HD   LYS   1          2HD       LYS   1  15.838  13.203  -9.785
    8   2HD   LYS   1          3HD       LYS   1  15.191  13.151 -11.432
    9   1HE   LYS   1          2HE       LYS   1  16.963  15.366 -10.299
   10   2HE   LYS   1          3HE       LYS   1  17.564  13.988 -11.229
   11   1HZ   LYS   1          2HZ       LYS   1  15.662  16.007 -12.235
   12   2HZ   LYS   1          3HZ       LYS   1  17.260  15.922 -12.613
   13   3HZ   LYS   1          1HZ       LYS   1  16.240  14.726 -13.093
   14    H    GLU   2           H        GLU   2  12.758  11.921  -6.323
   15    HA   GLU   2           HA       GLU   2   9.841  12.395  -6.266
   16   1HB   GLU   2          2HB       GLU   2   9.354  10.052  -5.829
   17   2HB   GLU   2          3HB       GLU   2  10.181  10.215  -7.373
   18   1HG   GLU   2          2HG       GLU   2  12.364   9.654  -5.983
   19   2HG   GLU   2          3HG       GLU   2  11.228   9.066  -4.767
   20    HE2  GLU   2          2HE       GLU   2  10.523   6.224  -6.662
   21    H    HIS   3           H        HIS   3   8.950  12.111  -4.173
   22    HA   HIS   3           HA       HIS   3  10.783  11.881  -1.832
   23   1HB   HIS   3          2HB       HIS   3   8.674  14.051  -2.205
   24   2HB   HIS   3          3HB       HIS   3   9.648  13.783  -0.767
   25    H    CYS   4           H        CYS   4   8.772  10.027  -3.268
   26    HA   CYS   4           HA       CYS   4   8.048   8.727  -0.960
   27   1HB   CYS   4          2HB       CYS   4   5.688   8.991  -0.938
   28   2HB   CYS   4          3HB       CYS   4   6.368  10.532  -0.602
   29    H    GLY   5           H        GLY   5   6.098   7.148  -1.595
   30   1HA   GLY   5          3HA       GLY   5   5.577   5.278  -2.790
   31   2HA   GLY   5          2HA       GLY   5   6.778   5.708  -4.022
   32    H    SER   6           H        SER   6   3.488   5.256  -3.685
   33    HA   SER   6           HA       SER   6   2.485   7.102  -5.583
   34   1HB   SER   6          2HB       SER   6   2.709   5.704  -7.620
   35   2HB   SER   6          3HB       SER   6   4.265   6.292  -7.039
   36    HG   SER   6           HG       SER   6   4.339   4.073  -7.571
   37    H    ILE   7           H        ILE   7   1.230   4.449  -6.988
   38    HA   ILE   7           HA       ILE   7  -0.614   3.708  -4.878
   39    HB   ILE   7           HB       ILE   7  -1.387   4.621  -7.673
   40   1HD1  ILE   7          1HD       ILE   7  -2.820   6.250  -4.475
   41   2HD1  ILE   7          2HD       ILE   7  -1.150   5.793  -4.157
   42   3HD1  ILE   7          3HD       ILE   7  -1.520   7.478  -4.541
   43    H    LEU   8           H        LEU   8  -1.632   1.658  -5.610
   44    HA   LEU   8           HA       LEU   8  -0.476   0.243  -7.852
   45   1HB   LEU   8          2HB       LEU   8   1.291   0.246  -6.161
   46   2HB   LEU   8          3HB       LEU   8   0.244  -0.558  -5.002
   47    HG   LEU   8           HG       LEU   8   0.468  -2.141  -7.453
   48    H    HIS   9           H        HIS   9  -1.102  -2.237  -7.001
   49    HA   HIS   9           HA       HIS   9  -3.462  -3.087  -5.997
   50   1HB   HIS   9          2HB       HIS   9  -4.888  -3.263  -8.091
   51   2HB   HIS   9          3HB       HIS   9  -4.925  -1.787  -7.150
   52    H    GLY  10           H        GLY  10  -1.587  -4.345  -5.698
   53   1HA   GLY  10          3HA       GLY  10  -0.323  -6.242  -6.013
   54   2HA   GLY  10          2HA       GLY  10  -0.552  -6.133  -7.775
   55    H    THR  11           H        THR  11  -2.655  -6.569  -8.588
   56    HA   THR  11           HA       THR  11  -4.118  -8.790  -7.303
   57    HB   THR  11           HB       THR  11  -6.027  -6.931  -8.412
   58    H    TRP  12           H        TRP  12  -4.156  -6.497 -10.011
   59    HA   TRP  12           HA       TRP  12  -4.877  -6.505 -12.059
   60   1HB   TRP  12          2HB       TRP  12  -4.084  -8.528 -13.596
   61   2HB   TRP  12          3HB       TRP  12  -2.980  -7.336 -12.978
   62    H    LEU  13           H        LEU  13  -5.980  -7.651 -13.903
   63    HA   LEU  13           HA       LEU  13  -8.024  -8.186 -14.664
   64   1HB   LEU  13          2HB       LEU  13  -8.182 -10.216 -12.419
   65   2HB   LEU  13          3HB       LEU  13  -8.943 -10.306 -14.027
   66    HG   LEU  13           HG       LEU  13  -6.000 -10.526 -13.468
   67    HA   PRO  14           HA       PRO  14 -10.843  -5.730 -12.375
   68   1HB   PRO  14          2HB       PRO  14 -13.340  -6.748 -12.107
   69   2HB   PRO  14          3HB       PRO  14 -12.594  -6.448 -13.702
   70   1HG   PRO  14          2HG       PRO  14 -12.740  -9.073 -12.191
   71   2HG   PRO  14          3HG       PRO  14 -13.146  -8.758 -13.908
   72   1HD   PRO  14          2HD       PRO  14 -10.733  -9.737 -13.066
   73   2HD   PRO  14          3HD       PRO  14 -10.881  -8.703 -14.526
   74    H    LYS  15           H        LYS  15  -9.192  -6.186 -10.510
   75    HA   LYS  15           HA       LYS  15 -10.768  -6.786  -8.040
   76   1HB   LYS  15          2HB       LYS  15  -7.966  -7.755  -8.664
   77   2HB   LYS  15          3HB       LYS  15  -8.848  -7.999  -7.140
   78   1HG   LYS  15          2HG       LYS  15 -10.452  -9.459  -8.269
   79   2HG   LYS  15          3HG       LYS  15  -9.645  -9.177  -9.828
   80   1HD   LYS  15          2HD       LYS  15  -7.554 -10.172  -8.962
   81   2HD   LYS  15          3HD       LYS  15  -8.315 -10.426  -7.387
   82   1HE   LYS  15          2HE       LYS  15  -8.282 -12.506  -8.650
   83   2HE   LYS  15          3HE       LYS  15  -9.948 -11.972  -8.378
   84   1HZ   LYS  15          2HZ       LYS  15  -8.418 -11.559 -10.864
   85   2HZ   LYS  15          3HZ       LYS  15  -9.567 -12.726 -10.644
   86   3HZ   LYS  15          1HZ       LYS  15  -9.988 -11.133 -10.616
   87    H    LYS  16           H        LYS  16 -10.027  -5.835  -6.137
   88    HA   LYS  16           HA       LYS  16  -8.318  -3.437  -6.460
   89   1HB   LYS  16          2HB       LYS  16  -9.981  -2.044  -5.378
   90   2HB   LYS  16          3HB       LYS  16 -10.569  -2.696  -6.893
   91   1HG   LYS  16          2HG       LYS  16 -12.424  -3.436  -5.883
   92   2HG   LYS  16          3HG       LYS  16 -11.469  -4.531  -4.890
   93   1HD   LYS  16          2HD       LYS  16 -11.094  -2.566  -3.281
   94   2HD   LYS  16          3HD       LYS  16 -12.284  -1.667  -4.238
   95   1HE   LYS  16          2HE       LYS  16 -13.982  -3.399  -3.773
   96   2HE   LYS  16          3HE       LYS  16 -12.777  -4.373  -2.913
   97   1HZ   LYS  16          1HZ       LYS  16 -12.578  -2.608  -1.295
   98   2HZ   LYS  16          2HZ       LYS  16 -13.696  -1.693  -2.084
   99   3HZ   LYS  16          3HZ       LYS  16 -14.139  -3.117  -1.390
  100    H    CYS  17           H        CYS  17  -6.795  -4.895  -5.382
  101    HA   CYS  17           HA       CYS  17  -6.999  -4.761  -2.471
  102   1HB   CYS  17          2HB       CYS  17  -6.116  -7.394  -3.562
  103   2HB   CYS  17          3HB       CYS  17  -6.900  -7.036  -2.050
  104    H    SER  18           H        SER  18  -4.855  -4.488  -1.624
  105    HA   SER  18           HA       SER  18  -2.584  -4.348  -1.557
  106   1HB   SER  18          2HB       SER  18  -2.453  -4.934  -4.455
  107   2HB   SER  18          3HB       SER  18  -1.096  -4.844  -3.339
  108    HG   SER  18           HG       SER  18  -2.410  -6.972  -4.039
  109    H    LEU  19           H        LEU  19  -1.250  -2.443  -1.672
  110    HA   LEU  19           HA       LEU  19  -2.006  -0.328  -3.494
  111   1HB   LEU  19          2HB       LEU  19  -3.501  -0.645  -1.121
  112   2HB   LEU  19          3HB       LEU  19  -2.293   0.490  -0.620
  113    HG   LEU  19           HG       LEU  19  -4.328   1.588  -1.297
  114    H    CYS  20           H        CYS  20  -0.933   1.731  -1.873
  115    HA   CYS  20           HA       CYS  20   1.707   1.125  -0.907
  116   1HB   CYS  20          2HB       CYS  20   1.237   3.081  -3.161
  117   2HB   CYS  20          3HB       CYS  20   2.775   2.878  -2.353
  118    H    ARG  21           H        ARG  21   2.553   3.590  -0.600
  119    HA   ARG  21           HA       ARG  21   0.396   5.425  -0.042
  120   1HB   ARG  21          2HB       ARG  21   2.452   4.911   2.175
  121   2HB   ARG  21          3HB       ARG  21   1.406   6.310   2.079
  122   1HG   ARG  21          2HG       ARG  21  -0.604   4.864   2.201
  123   2HG   ARG  21          3HG       ARG  21   0.447   3.457   2.465
  124   1HD   ARG  21          2HD       ARG  21   1.352   4.467   4.516
  125   2HD   ARG  21          3HD       ARG  21   0.509   5.976   4.188
  126    HE   ARG  21           HE       ARG  21  -1.452   5.146   4.962
  127    H    CYS  22           H        CYS  22   1.616   7.629   0.527
  128    HA   CYS  22           HA       CYS  22   4.176   7.737  -0.885
  129   1HB   CYS  22          2HB       CYS  22   2.859   8.746  -2.493
  130   2HB   CYS  22          3HB       CYS  22   1.731   9.417  -1.307
  131    H    TRP  23           H        TRP  23   5.426   7.785   1.100
  132    HA   TRP  23           HA       TRP  23   4.986  10.218   2.730
  133   1HB   TRP  23          2HB       TRP  23   4.887   7.468   3.582
  134   2HB   TRP  23          3HB       TRP  23   6.360   8.163   4.219
  135    H    HIS  24           H        HIS  24   7.053  10.986   3.628
  136    HA   HIS  24           HA       HIS  24   8.986  11.407   1.619
  137   1HB   HIS  24          2HB       HIS  24   8.253  12.753   3.784
  138   2HB   HIS  24          3HB       HIS  24   9.572  11.872   4.544
  139    H    GLY  25           H        GLY  25   8.867   8.679   3.643
  140   1HA   GLY  25          3HA       GLY  25  11.675   8.121   3.904
  141   2HA   GLY  25          2HA       GLY  25  11.002   7.359   2.452
  142    H    GLN  26           H        GLN  26   8.261   6.774   3.538
  143    HA   GLN  26           HA       GLN  26   8.939   4.642   5.408
  144   1HB   GLN  26          2HB       GLN  26   8.511   6.765   6.766
  145   2HB   GLN  26          3HB       GLN  26   6.874   6.792   6.103
  146   1HG   GLN  26          2HG       GLN  26   6.436   4.568   7.121
  147   2HG   GLN  26          3HG       GLN  26   8.087   4.533   7.761
  148    H    LEU  27           H        LEU  27   7.597   2.949   4.933
  149    HA   LEU  27           HA       LEU  27   6.225   1.630   3.777
  150   1HB   LEU  27          2HB       LEU  27   4.589   2.948   5.146
  151   2HB   LEU  27          3HB       LEU  27   4.292   3.972   3.755
  152    HG   LEU  27           HG       LEU  27   2.546   2.339   4.069
  153    H    HIS  28           H        HIS  28   7.226   1.144   1.879
  154    HA   HIS  28           HA       HIS  28   6.994   2.906  -0.465
  155   1HB   HIS  28          2HB       HIS  28   8.117   0.100  -0.097
  156   2HB   HIS  28          3HB       HIS  28   7.904   0.841  -1.679
  157    H    CYS  29           H        CYS  29   6.057  -0.575  -0.511
  158    HA   CYS  29           HA       CYS  29   3.309   0.113  -1.298
  159   1HB   CYS  29          2HB       CYS  29   5.392  -1.192  -3.051
  160   2HB   CYS  29          3HB       CYS  29   3.658  -1.377  -3.313
  161    H    LEU  30           H        LEU  30   2.019  -1.237  -0.164
  162    HA   LEU  30           HA       LEU  30   2.566  -4.037   0.136
  163   1HB   LEU  30          2HB       LEU  30   2.590  -2.063   2.460
  164   2HB   LEU  30          3HB       LEU  30   2.120  -3.741   2.698
  165    HG   LEU  30           HG       LEU  30   4.845  -2.767   1.780
  166    HA   PRO  31           HA       PRO  31  -1.949  -3.655   0.328
  167   1HB   PRO  31          2HB       PRO  31  -2.669  -6.050   1.503
  168   2HB   PRO  31          3HB       PRO  31  -2.141  -5.912  -0.193
  169   1HG   PRO  31          2HG       PRO  31  -0.515  -6.789   2.177
  170   2HG   PRO  31          3HG       PRO  31  -0.537  -7.447   0.511
  171   1HD   PRO  31          2HD       PRO  31   1.385  -5.706   1.450
  172   2HD   PRO  31          3HD       PRO  31   0.888  -5.784  -0.267
  173    H    GLN  32           H        GLN  32  -1.072  -5.418   3.280
  174    HA   GLN  32           HA       GLN  32  -1.091  -4.888   5.515
  175   1HB   GLN  32          2HB       GLN  32   0.129  -2.826   4.904
  176   2HB   GLN  32          3HB       GLN  32  -1.400  -1.964   4.728
  177   1HG   GLN  32          2HG       GLN  32  -1.909  -2.304   7.110
  178   2HG   GLN  32          3HG       GLN  32  -0.429  -3.250   7.305
  179    H    THR  33           H        THR  33  -3.006  -6.210   5.132
  180    HA   THR  33           HA       THR  33  -5.117  -6.811   5.141
  181    HB   THR  33           HB       THR  33  -4.314  -5.913   7.511
  182    H    PHE  34           H        PHE  34  -4.598  -4.420   3.370
  183    HA   PHE  34           HA       PHE  34  -6.578  -2.623   3.178
  184   1HB   PHE  34          2HB       PHE  34  -4.606  -2.758   1.757
  185   2HB   PHE  34          3HB       PHE  34  -5.236  -4.153   0.911
  186    HZ   PHE  34           HZ       PHE  34  -8.004   0.134  -2.035
  187    H    LEU  35           H        LEU  35  -6.970  -6.026   2.116
  188    HA   LEU  35           HA       LEU  35  -9.819  -5.684   2.420
  189   1HB   LEU  35          2HB       LEU  35  -9.404  -5.099  -0.014
  190   2HB   LEU  35          3HB       LEU  35  -8.798  -6.733  -0.250
  191    HG   LEU  35           HG       LEU  35 -11.081  -7.571   0.601
  192    HA   PRO  36           HA       PRO  36  -8.099  -9.661   3.972
  193   1HB   PRO  36          2HB       PRO  36  -9.731 -10.057   6.124
  194   2HB   PRO  36          3HB       PRO  36  -8.398  -8.868   6.117
  195   1HG   PRO  36          2HG       PRO  36 -11.332  -8.338   5.499
  196   2HG   PRO  36          3HG       PRO  36 -10.285  -7.492   6.690
  197   1HD   PRO  36          2HD       PRO  36 -10.630  -6.460   4.230
  198   2HD   PRO  36          3HD       PRO  36  -9.018  -6.466   4.990
  199    H    GLY  37           H        GLY  37  -9.091 -10.061   1.782
  200   1HA   GLY  37          3HA       GLY  37 -11.524 -11.245   1.217
  201   2HA   GLY  37          2HA       GLY  37 -10.560 -12.570   1.899
  202    H    CYS  38           H        CYS  38  -8.099 -10.898   0.584
  203    HA   CYS  38           HA       CYS  38  -8.162 -11.962  -2.099
  204   1HB   CYS  38          2HB       CYS  38  -9.893 -10.185  -2.207
  205   2HB   CYS  38          3HB       CYS  38  -8.744  -9.044  -1.507
  206    H    ASP  39           H        ASP  39  -6.255 -12.636  -0.805
  207    HA   ASP  39           HA       ASP  39  -4.068 -12.608  -0.231
  208   1HB   ASP  39          2HB       ASP  39  -3.781 -10.180  -2.052
  209   2HB   ASP  39          3HB       ASP  39  -2.468 -11.151  -1.390

  No H/Q in entry =         209
  Start of MODEL    2
    1    H    LYS   1           H        LYS   1  14.804  11.521  -8.777
    2    HA   LYS   1           HA       LYS   1  14.943  10.265  -6.214
    3   1HB   LYS   1          2HB       LYS   1  15.537  12.544  -5.412
    4   2HB   LYS   1          3HB       LYS   1  16.491  11.941  -6.743
    5   1HG   LYS   1          2HG       LYS   1  16.162  14.240  -7.098
    6   2HG   LYS   1          3HG       LYS   1  15.241  13.401  -8.336
    7   1HD   LYS   1          2HD       LYS   1  13.146  13.869  -7.168
    8   2HD   LYS   1          3HD       LYS   1  14.012  14.556  -5.786
    9   1HE   LYS   1          2HE       LYS   1  14.072  15.666  -8.631
   10   2HE   LYS   1          3HE       LYS   1  12.989  16.236  -7.355
   11   1HZ   LYS   1          1HZ       LYS   1  14.916  16.876  -6.068
   12   2HZ   LYS   1          2HZ       LYS   1  15.938  16.352  -7.254
   13   3HZ   LYS   1          3HZ       LYS   1  14.928  17.620  -7.534
   14    H    GLU   2           H        GLU   2  12.357   9.900  -7.169
   15    HA   GLU   2           HA       GLU   2  10.392  11.743  -6.789
   16   1HB   GLU   2          2HB       GLU   2  10.286   9.492  -7.919
   17   2HB   GLU   2          3HB       GLU   2  10.157   8.745  -6.333
   18   1HG   GLU   2          2HG       GLU   2   8.065  10.388  -6.081
   19   2HG   GLU   2          3HG       GLU   2   8.160  10.457  -7.835
   20    HE2  GLU   2          2HE       GLU   2   7.057   7.026  -5.984
   21    H    HIS   3           H        HIS   3  10.961   9.155  -4.344
   22    HA   HIS   3           HA       HIS   3  10.105   8.882  -2.241
   23   1HB   HIS   3          2HB       HIS   3  11.123  11.697  -1.746
   24   2HB   HIS   3          3HB       HIS   3  10.901  10.423  -0.561
   25    H    CYS   4           H        CYS   4   8.081   9.942  -4.199
   26    HA   CYS   4           HA       CYS   4   6.110   9.737  -2.129
   27   1HB   CYS   4          2HB       CYS   4   6.554  12.249  -2.300
   28   2HB   CYS   4          3HB       CYS   4   5.926  12.175  -3.938
   29    H    GLY   5           H        GLY   5   5.439   7.817  -3.151
   30   1HA   GLY   5          3HA       GLY   5   4.279   8.108  -5.894
   31   2HA   GLY   5          2HA       GLY   5   3.346   7.523  -4.516
   32    H    SER   6           H        SER   6   3.388   5.322  -4.086
   33    HA   SER   6           HA       SER   6   5.094   3.679  -5.929
   34   1HB   SER   6          2HB       SER   6   4.612   3.309  -2.965
   35   2HB   SER   6          3HB       SER   6   5.484   2.164  -4.020
   36    HG   SER   6           HG       SER   6   6.797   4.125  -4.537
   37    H    ILE   7           H        ILE   7   2.312   4.519  -6.018
   38    HA   ILE   7           HA       ILE   7   0.343   2.785  -5.194
   39    HB   ILE   7           HB       ILE   7   0.371   4.204  -7.857
   40   1HD1  ILE   7          2HD       ILE   7   0.492   5.002  -4.145
   41   2HD1  ILE   7          1HD       ILE   7  -1.220   5.310  -4.522
   42   3HD1  ILE   7          3HD       ILE   7  -0.081   6.659  -4.379
   43    H    LEU   8           H        LEU   8  -0.880   1.129  -6.260
   44    HA   LEU   8           HA       LEU   8   0.522  -0.563  -8.198
   45   1HB   LEU   8          2HB       LEU   8   1.423  -0.698  -5.657
   46   2HB   LEU   8          3HB       LEU   8   0.020  -1.753  -5.487
   47    HG   LEU   8           HG       LEU   8   1.010  -3.110  -7.443
   48    H    HIS   9           H        HIS   9  -0.703  -2.876  -7.424
   49    HA   HIS   9           HA       HIS   9  -3.279  -3.580  -7.792
   50   1HB   HIS   9          2HB       HIS   9  -3.890  -3.015 -10.141
   51   2HB   HIS   9          3HB       HIS   9  -3.905  -1.661  -9.033
   52    H    GLY  10           H        GLY  10  -1.299  -5.254  -7.269
   53   1HA   GLY  10          3HA       GLY  10   0.079  -6.919  -7.972
   54   2HA   GLY  10          2HA       GLY  10   0.098  -6.271  -9.617
   55    H    THR  11           H        THR  11  -2.820  -6.254 -10.026
   56    HA   THR  11           HA       THR  11  -3.711  -9.046  -9.670
   57    HB   THR  11           HB       THR  11  -4.894  -6.571  -8.299
   58    H    TRP  12           H        TRP  12  -5.739  -9.413 -10.752
   59    HA   TRP  12           HA       TRP  12  -6.146  -7.727 -13.102
   60   1HB   TRP  12          2HB       TRP  12  -7.626  -9.711 -13.731
   61   2HB   TRP  12          3HB       TRP  12  -5.959 -10.153 -13.408
   62    H    LEU  13           H        LEU  13  -8.413  -7.547 -13.836
   63    HA   LEU  13           HA       LEU  13 -10.005  -6.001 -13.814
   64   1HB   LEU  13          2HB       LEU  13 -10.646  -7.458 -11.363
   65   2HB   LEU  13          3HB       LEU  13 -10.916  -5.750 -11.126
   66    HG   LEU  13           HG       LEU  13 -12.305  -5.739 -13.256
   67    HA   PRO  14           HA       PRO  14  -7.744  -2.465 -12.665
   68   1HB   PRO  14          2HB       PRO  14  -9.432  -0.396 -12.142
   69   2HB   PRO  14          3HB       PRO  14  -9.329  -1.178 -13.746
   70   1HG   PRO  14          2HG       PRO  14 -11.358  -1.709 -11.555
   71   2HG   PRO  14          3HG       PRO  14 -11.657  -1.422 -13.299
   72   1HD   PRO  14          2HD       PRO  14 -11.526  -3.912 -12.193
   73   2HD   PRO  14          3HD       PRO  14 -10.968  -3.599 -13.866
   74    H    LYS  15           H        LYS  15  -7.027  -3.855 -10.767
   75    HA   LYS  15           HA       LYS  15  -6.152  -3.836  -8.652
   76   1HB   LYS  15          2HB       LYS  15  -8.153  -1.812  -7.639
   77   2HB   LYS  15          3HB       LYS  15  -6.667  -2.326  -6.893
   78   1HG   LYS  15          2HG       LYS  15  -5.508  -0.648  -7.750
   79   2HG   LYS  15          3HG       LYS  15  -6.004  -1.029  -9.398
   80   1HD   LYS  15          2HD       LYS  15  -6.547   1.273  -8.757
   81   2HD   LYS  15          3HD       LYS  15  -7.975   0.350  -9.213
   82   1HE   LYS  15          2HE       LYS  15  -8.485  -0.010  -6.782
   83   2HE   LYS  15          3HE       LYS  15  -7.088   0.991  -6.366
   84   1HZ   LYS  15          2HZ       LYS  15  -9.444   1.865  -7.916
   85   2HZ   LYS  15          3HZ       LYS  15  -9.144   2.242  -6.344
   86   3HZ   LYS  15          1HZ       LYS  15  -8.160   2.821  -7.529
   87    H    LYS  16           H        LYS  16  -7.180  -4.239  -6.453
   88    HA   LYS  16           HA       LYS  16  -9.693  -5.080  -5.813
   89   1HB   LYS  16          2HB       LYS  16  -8.358  -7.081  -7.554
   90   2HB   LYS  16          3HB       LYS  16  -8.790  -7.744  -5.980
   91   1HG   LYS  16          2HG       LYS  16 -11.112  -7.169  -6.268
   92   2HG   LYS  16          3HG       LYS  16 -10.775  -6.273  -7.756
   93   1HD   LYS  16          2HD       LYS  16  -9.911  -8.383  -8.806
   94   2HD   LYS  16          3HD       LYS  16 -10.400  -9.280  -7.362
   95   1HE   LYS  16          2HE       LYS  16 -12.228  -7.641  -9.176
   96   2HE   LYS  16          3HE       LYS  16 -12.046  -9.400  -9.236
   97   1HZ   LYS  16          2HZ       LYS  16 -13.073  -7.877  -6.929
   98   2HZ   LYS  16          3HZ       LYS  16 -13.987  -8.754  -7.978
   99   3HZ   LYS  16          1HZ       LYS  16 -12.908  -9.512  -6.993
  100    H    CYS  17           H        CYS  17  -6.221  -5.957  -5.801
  101    HA   CYS  17           HA       CYS  17  -6.046  -5.899  -2.876
  102   1HB   CYS  17          2HB       CYS  17  -5.521  -8.440  -4.500
  103   2HB   CYS  17          3HB       CYS  17  -5.166  -8.212  -2.790
  104    H    SER  18           H        SER  18  -4.302  -4.585  -2.876
  105    HA   SER  18           HA       SER  18  -1.773  -4.457  -3.228
  106   1HB   SER  18          2HB       SER  18  -2.613  -4.489  -6.078
  107   2HB   SER  18          3HB       SER  18  -1.036  -3.962  -5.445
  108    HG   SER  18           HG       SER  18  -2.220  -6.511  -5.261
  109    H    LEU  19           H        LEU  19  -1.729  -2.320  -2.411
  110    HA   LEU  19           HA       LEU  19  -2.151  -0.313  -4.374
  111   1HB   LEU  19          2HB       LEU  19  -4.350  -0.794  -2.676
  112   2HB   LEU  19          3HB       LEU  19  -3.487   0.403  -1.757
  113    HG   LEU  19           HG       LEU  19  -5.295   1.329  -3.095
  114    H    CYS  20           H        CYS  20  -1.510   1.931  -2.941
  115    HA   CYS  20           HA       CYS  20   0.327   1.590  -0.811
  116   1HB   CYS  20          2HB       CYS  20   1.592   0.741  -2.988
  117   2HB   CYS  20          3HB       CYS  20   1.676   2.467  -3.326
  118    H    ARG  21           H        ARG  21   1.777   3.837  -1.169
  119    HA   ARG  21           HA       ARG  21  -0.194   6.026  -1.537
  120   1HB   ARG  21          2HB       ARG  21   1.180   5.297   1.084
  121   2HB   ARG  21          3HB       ARG  21   0.668   6.952   0.760
  122   1HG   ARG  21          2HG       ARG  21  -1.648   6.091   0.240
  123   2HG   ARG  21          3HG       ARG  21  -1.140   4.513   0.879
  124   1HD   ARG  21          2HD       ARG  21  -0.697   5.488   3.068
  125   2HD   ARG  21          3HD       ARG  21  -0.909   7.128   2.421
  126    HE   ARG  21           HE       ARG  21  -3.203   5.325   2.155
  127    H    CYS  22           H        CYS  22   1.091   8.137  -0.727
  128    HA   CYS  22           HA       CYS  22   3.677   8.343  -2.111
  129   1HB   CYS  22          2HB       CYS  22   1.745   9.047  -3.555
  130   2HB   CYS  22          3HB       CYS  22   1.244  10.161  -2.291
  131    H    TRP  23           H        TRP  23   4.896   8.495  -0.156
  132    HA   TRP  23           HA       TRP  23   4.576  10.988   1.206
  133   1HB   TRP  23          2HB       TRP  23   3.167   9.227   2.519
  134   2HB   TRP  23          3HB       TRP  23   4.709   8.484   2.933
  135    H    HIS  24           H        HIS  24   6.617  11.266   2.597
  136    HA   HIS  24           HA       HIS  24   8.873  10.373   0.955
  137   1HB   HIS  24          2HB       HIS  24   8.512  12.726   1.649
  138   2HB   HIS  24          3HB       HIS  24   8.715  12.264   3.338
  139    H    GLY  25           H        GLY  25   8.648   8.069   1.493
  140   1HA   GLY  25          3HA       GLY  25   9.988   7.367   4.091
  141   2HA   GLY  25          2HA       GLY  25  10.491   6.723   2.528
  142    H    GLN  26           H        GLN  26   7.224   6.946   2.301
  143    HA   GLN  26           HA       GLN  26   5.430   5.546   2.715
  144   1HB   GLN  26          2HB       GLN  26   7.402   4.016   0.972
  145   2HB   GLN  26          3HB       GLN  26   5.645   3.793   1.013
  146   1HG   GLN  26          2HG       GLN  26   5.480   5.344  -0.538
  147   2HG   GLN  26          3HG       GLN  26   5.854   6.523   0.702
  148    H    LEU  27           H        LEU  27   5.924   5.290   4.961
  149    HA   LEU  27           HA       LEU  27   5.928   3.628   6.801
  150   1HB   LEU  27          2HB       LEU  27   3.412   3.318   6.843
  151   2HB   LEU  27          3HB       LEU  27   4.023   4.950   6.799
  152    HG   LEU  27           HG       LEU  27   3.378   3.820   4.106
  153    H    HIS  28           H        HIS  28   3.577   2.072   4.632
  154    HA   HIS  28           HA       HIS  28   5.426   0.374   3.474
  155   1HB   HIS  28          2HB       HIS  28   3.385  -0.904   5.354
  156   2HB   HIS  28          3HB       HIS  28   3.887  -1.734   3.892
  157    H    CYS  29           H        CYS  29   4.168  -0.781   1.649
  158    HA   CYS  29           HA       CYS  29   1.817   0.681   0.670
  159   1HB   CYS  29          2HB       CYS  29   3.146  -1.943  -0.158
  160   2HB   CYS  29          3HB       CYS  29   1.798  -1.194  -0.985
  161    H    LEU  30           H        LEU  30  -0.205  -0.790   0.218
  162    HA   LEU  30           HA       LEU  30  -0.762  -2.686   2.363
  163   1HB   LEU  30          2HB       LEU  30  -2.224  -0.072   1.917
  164   2HB   LEU  30          3HB       LEU  30  -3.017  -1.481   2.625
  165    HG   LEU  30           HG       LEU  30  -0.647  -0.020   3.840
  166    HA   PRO  31           HA       PRO  31  -2.616  -3.984  -1.471
  167   1HB   PRO  31          2HB       PRO  31  -3.433  -6.523  -0.832
  168   2HB   PRO  31          3HB       PRO  31  -1.730  -6.087  -1.171
  169   1HG   PRO  31          2HG       PRO  31  -3.083  -6.373   1.511
  170   2HG   PRO  31          3HG       PRO  31  -1.460  -6.961   1.000
  171   1HD   PRO  31          2HD       PRO  31  -1.911  -4.619   2.425
  172   2HD   PRO  31          3HD       PRO  31  -0.514  -4.832   1.321
  173    H    GLN  32           H        GLN  32  -4.210  -4.176   1.618
  174    HA   GLN  32           HA       GLN  32  -6.107  -2.363   0.795
  175   1HB   GLN  32          2HB       GLN  32  -8.175  -3.839   1.619
  176   2HB   GLN  32          3HB       GLN  32  -7.731  -3.619  -0.057
  177   1HG   GLN  32          2HG       GLN  32  -8.364  -5.916   0.355
  178   2HG   GLN  32          3HG       GLN  32  -6.689  -5.831  -0.172
  179    H    THR  33           H        THR  33  -6.328  -4.975   3.299
  180    HA   THR  33           HA       THR  33  -6.126  -2.923   5.386
  181    HB   THR  33           HB       THR  33  -6.984  -5.785   5.787
  182    H    PHE  34           H        PHE  34  -4.273  -5.496   4.025
  183    HA   PHE  34           HA       PHE  34  -2.541  -6.794   4.672
  184   1HB   PHE  34          2HB       PHE  34  -1.479  -4.601   4.534
  185   2HB   PHE  34          3HB       PHE  34  -1.786  -4.322   6.241
  186    HZ   PHE  34           HZ       PHE  34   3.230  -7.329   6.633
  187    H    LEU  35           H        LEU  35  -4.565  -7.792   5.798
  188    HA   LEU  35           HA       LEU  35  -3.318  -9.024   8.068
  189   1HB   LEU  35          2HB       LEU  35  -5.645  -7.339   8.578
  190   2HB   LEU  35          3HB       LEU  35  -6.023  -9.023   8.947
  191    HG   LEU  35           HG       LEU  35  -3.556  -7.607  10.025
  192    HA   PRO  36           HA       PRO  36  -5.852 -11.672   5.037
  193   1HB   PRO  36          2HB       PRO  36  -7.717 -10.472   3.473
  194   2HB   PRO  36          3HB       PRO  36  -8.155 -11.256   5.022
  195   1HG   PRO  36          2HG       PRO  36  -7.696  -8.316   4.483
  196   2HG   PRO  36          3HG       PRO  36  -9.023  -9.077   5.414
  197   1HD   PRO  36          2HD       PRO  36  -6.765  -7.988   6.558
  198   2HD   PRO  36          3HD       PRO  36  -7.658  -9.353   7.287
  199    H    GLY  37           H        GLY  37  -4.583 -11.750   3.209
  200   1HA   GLY  37          3HA       GLY  37  -3.165 -11.057   1.521
  201   2HA   GLY  37          2HA       GLY  37  -3.059  -9.456   2.287
  202    H    CYS  38           H        CYS  38  -6.176 -10.907   1.459
  203    HA   CYS  38           HA       CYS  38  -6.717  -8.965  -0.614
  204   1HB   CYS  38          2HB       CYS  38  -5.249 -10.613  -1.735
  205   2HB   CYS  38          3HB       CYS  38  -6.340 -11.917  -1.273
  206    H    ASP  39           H        ASP  39  -8.134  -8.674   1.206
  207    HA   ASP  39           HA       ASP  39 -10.318 -10.346   1.907
  208   1HB   ASP  39          2HB       ASP  39  -9.780  -8.292   3.134
  209   2HB   ASP  39          3HB       ASP  39 -10.162  -7.307   1.714

  No H/Q in entry =         209
  Start of MODEL    3
    1    H    LYS   1           H        LYS   1  13.916  14.574  -6.103
    2    HA   LYS   1           HA       LYS   1  14.674  12.909  -3.769
    3   1HB   LYS   1          2HB       LYS   1  13.882  14.791  -2.394
    4   2HB   LYS   1          3HB       LYS   1  15.255  15.173  -3.423
    5   1HG   LYS   1          2HG       LYS   1  13.549  16.248  -5.067
    6   2HG   LYS   1          3HG       LYS   1  12.376  16.113  -3.745
    7   1HD   LYS   1          2HD       LYS   1  13.984  17.364  -2.284
    8   2HD   LYS   1          3HD       LYS   1  15.053  17.572  -3.677
    9   1HE   LYS   1          2HE       LYS   1  12.181  18.601  -3.495
   10   2HE   LYS   1          3HE       LYS   1  13.619  19.567  -3.148
   11   1HZ   LYS   1          1HZ       LYS   1  14.332  19.239  -5.420
   12   2HZ   LYS   1          2HZ       LYS   1  12.987  18.348  -5.758
   13   3HZ   LYS   1          3HZ       LYS   1  12.848  19.940  -5.375
   14    H    GLU   2           H        GLU   2  13.226  11.413  -5.172
   15    HA   GLU   2           HA       GLU   2  10.401  11.829  -5.208
   16   1HB   GLU   2          2HB       GLU   2  11.874  10.439  -6.783
   17   2HB   GLU   2          3HB       GLU   2  11.838   9.175  -5.550
   18   1HG   GLU   2          2HG       GLU   2   9.270   9.270  -5.707
   19   2HG   GLU   2          3HG       GLU   2   9.465  10.391  -7.048
   20    HE2  GLU   2          2HE       GLU   2  11.060   7.576  -8.856
   21    H    HIS   3           H        HIS   3  10.934  12.290  -2.603
   22    HA   HIS   3           HA       HIS   3  10.533   9.979  -0.866
   23   1HB   HIS   3          2HB       HIS   3  10.304  11.756   0.899
   24   2HB   HIS   3          3HB       HIS   3  11.796  11.777  -0.014
   25    H    CYS   4           H        CYS   4   8.520   9.939  -2.829
   26    HA   CYS   4           HA       CYS   4   6.095  10.361  -1.223
   27   1HB   CYS   4          2HB       CYS   4   6.603  12.332  -2.884
   28   2HB   CYS   4          3HB       CYS   4   5.965  11.257  -4.103
   29    H    GLY   5           H        GLY   5   4.961   9.588  -4.320
   30   1HA   GLY   5          3HA       GLY   5   4.378   7.013  -3.306
   31   2HA   GLY   5          2HA       GLY   5   5.588   6.926  -4.587
   32    H    SER   6           H        SER   6   2.873   5.749  -4.481
   33    HA   SER   6           HA       SER   6   1.418   6.847  -6.638
   34   1HB   SER   6          2HB       SER   6   3.609   6.301  -7.788
   35   2HB   SER   6          3HB       SER   6   3.386   4.605  -7.311
   36    HG   SER   6           HG       SER   6   2.623   5.218  -9.460
   37    H    ILE   7           H        ILE   7   0.687   4.404  -7.643
   38    HA   ILE   7           HA       ILE   7  -1.025   3.411  -5.396
   39    HB   ILE   7           HB       ILE   7  -1.753   3.719  -8.323
   40   1HD1  ILE   7          2HD       ILE   7  -1.476   5.678  -5.064
   41   2HD1  ILE   7          1HD       ILE   7  -3.228   5.423  -5.206
   42   3HD1  ILE   7          3HD       ILE   7  -2.509   6.982  -5.658
   43    H    LEU   8           H        LEU   8  -2.028   1.231  -5.728
   44    HA   LEU   8           HA       LEU   8  -0.851  -0.697  -7.489
   45   1HB   LEU   8          2HB       LEU   8   0.790  -0.444  -5.448
   46   2HB   LEU   8          3HB       LEU   8  -0.483  -1.225  -4.519
   47    HG   LEU   8           HG       LEU   8  -0.226  -2.990  -6.628
   48    H    HIS   9           H        HIS   9  -1.772  -2.921  -6.298
   49    HA   HIS   9           HA       HIS   9  -4.446  -2.849  -5.271
   50   1HB   HIS   9          2HB       HIS   9  -5.218  -4.104  -7.497
   51   2HB   HIS   9          3HB       HIS   9  -5.451  -2.398  -7.163
   52    H    GLY  10           H        GLY  10  -1.730  -4.253  -4.921
   53   1HA   GLY  10          3HA       GLY  10  -2.239  -6.829  -4.308
   54   2HA   GLY  10          2HA       GLY  10  -0.649  -6.264  -4.838
   55    H    THR  11           H        THR  11  -3.737  -7.456  -5.973
   56    HA   THR  11           HA       THR  11  -2.768  -9.350  -7.896
   57    HB   THR  11           HB       THR  11  -5.472  -8.105  -7.226
   58    H    TRP  12           H        TRP  12  -3.182  -9.212 -10.205
   59    HA   TRP  12           HA       TRP  12  -2.742  -6.546 -11.338
   60   1HB   TRP  12          2HB       TRP  12  -2.469  -8.000 -13.453
   61   2HB   TRP  12          3HB       TRP  12  -1.301  -8.274 -12.173
   62    H    LEU  13           H        LEU  13  -3.897  -6.139 -13.466
   63    HA   LEU  13           HA       LEU  13  -5.750  -5.054 -14.141
   64   1HB   LEU  13          2HB       LEU  13  -6.732  -7.773 -13.651
   65   2HB   LEU  13          3HB       LEU  13  -7.955  -6.624 -13.220
   66    HG   LEU  13           HG       LEU  13  -7.649  -5.556 -15.520
   67    HA   PRO  14           HA       PRO  14  -7.011  -2.767 -10.556
   68   1HB   PRO  14          2HB       PRO  14  -9.561  -1.846 -10.838
   69   2HB   PRO  14          3HB       PRO  14  -8.248  -1.392 -11.956
   70   1HG   PRO  14          2HG       PRO  14 -10.292  -3.609 -12.322
   71   2HG   PRO  14          3HG       PRO  14  -9.889  -2.282 -13.464
   72   1HD   PRO  14          2HD       PRO  14  -8.784  -4.733 -13.674
   73   2HD   PRO  14          3HD       PRO  14  -7.816  -3.273 -14.023
   74    H    LYS  15           H        LYS  15  -7.064  -5.568 -10.016
   75    HA   LYS  15           HA       LYS  15  -9.594  -6.304  -8.695
   76   1HB   LYS  15          2HB       LYS  15  -6.835  -7.469  -9.006
   77   2HB   LYS  15          3HB       LYS  15  -7.988  -8.210  -7.902
   78   1HG   LYS  15          2HG       LYS  15  -8.718  -7.775 -10.834
   79   2HG   LYS  15          3HG       LYS  15  -7.723  -9.140 -10.335
   80   1HD   LYS  15          2HD       LYS  15  -9.537  -9.730  -8.632
   81   2HD   LYS  15          3HD       LYS  15 -10.581  -8.576  -9.496
   82   1HE   LYS  15          2HE       LYS  15 -10.230  -9.840 -11.597
   83   2HE   LYS  15          3HE       LYS  15  -9.084 -10.912 -10.780
   84   1HZ   LYS  15          1HZ       LYS  15 -10.884 -11.671  -9.369
   85   2HZ   LYS  15          2HZ       LYS  15 -11.960 -10.702 -10.156
   86   3HZ   LYS  15          3HZ       LYS  15 -11.227 -11.940 -10.952
   87    H    LYS  16           H        LYS  16  -9.954  -5.118  -6.769
   88    HA   LYS  16           HA       LYS  16  -7.893  -3.898  -5.289
   89   1HB   LYS  16          2HB       LYS  16  -9.636  -3.248  -3.710
   90   2HB   LYS  16          3HB       LYS  16 -10.048  -2.973  -5.381
   91   1HG   LYS  16          2HG       LYS  16 -12.043  -3.739  -4.728
   92   2HG   LYS  16          3HG       LYS  16 -11.356  -5.300  -5.115
   93   1HD   LYS  16          2HD       LYS  16 -11.580  -6.009  -3.003
   94   2HD   LYS  16          3HD       LYS  16 -10.722  -4.633  -2.332
   95   1HE   LYS  16          2HE       LYS  16 -13.670  -4.626  -3.092
   96   2HE   LYS  16          3HE       LYS  16 -13.038  -4.899  -1.461
   97   1HZ   LYS  16          1HZ       LYS  16 -12.050  -2.706  -1.529
   98   2HZ   LYS  16          2HZ       LYS  16 -12.648  -2.439  -3.039
   99   3HZ   LYS  16          3HZ       LYS  16 -13.677  -2.612  -1.767
  100    H    CYS  17           H        CYS  17  -6.329  -5.586  -4.918
  101    HA   CYS  17           HA       CYS  17  -6.790  -6.971  -2.301
  102   1HB   CYS  17          2HB       CYS  17  -5.167  -7.775  -4.725
  103   2HB   CYS  17          3HB       CYS  17  -5.115  -8.604  -3.189
  104    H    SER  18           H        SER  18  -5.384  -4.248  -3.307
  105    HA   SER  18           HA       SER  18  -3.783  -3.980  -1.030
  106   1HB   SER  18          2HB       SER  18  -2.135  -5.180  -2.634
  107   2HB   SER  18          3HB       SER  18  -2.114  -3.564  -3.416
  108    HG   SER  18           HG       SER  18  -0.529  -3.966  -1.670
  109    H    LEU  19           H        LEU  19  -2.536  -1.802  -1.486
  110    HA   LEU  19           HA       LEU  19  -3.464  -0.182  -3.543
  111   1HB   LEU  19          2HB       LEU  19  -5.163   0.016  -1.376
  112   2HB   LEU  19          3HB       LEU  19  -3.966   1.163  -0.851
  113    HG   LEU  19           HG       LEU  19  -6.025   2.048  -1.936
  114    H    CYS  20           H        CYS  20  -2.268   2.233  -2.783
  115    HA   CYS  20           HA       CYS  20   0.140   1.738  -1.310
  116   1HB   CYS  20          2HB       CYS  20   0.475   0.650  -3.581
  117   2HB   CYS  20          3HB       CYS  20   0.362   2.252  -4.305
  118    H    ARG  21           H        ARG  21   1.503   3.863  -1.573
  119    HA   ARG  21           HA       ARG  21  -0.045   6.266  -1.927
  120   1HB   ARG  21          2HB       ARG  21   0.305   5.023   0.848
  121   2HB   ARG  21          3HB       ARG  21   0.279   6.774   0.660
  122   1HG   ARG  21          2HG       ARG  21  -1.931   6.706  -0.373
  123   2HG   ARG  21          3HG       ARG  21  -1.991   4.945  -0.226
  124   1HD   ARG  21          2HD       ARG  21  -1.528   6.631   2.238
  125   2HD   ARG  21          3HD       ARG  21  -3.149   6.484   1.577
  126    HE   ARG  21           HE       ARG  21  -1.587   4.438   2.940
  127    H    CYS  22           H        CYS  22   1.294   8.123  -1.360
  128    HA   CYS  22           HA       CYS  22   4.108   7.860  -1.586
  129   1HB   CYS  22          2HB       CYS  22   2.377  10.031  -0.323
  130   2HB   CYS  22          3HB       CYS  22   4.108  10.175  -0.490
  131    H    TRP  23           H        TRP  23   5.825   7.701  -0.073
  132    HA   TRP  23           HA       TRP  23   5.336   8.621   2.540
  133   1HB   TRP  23          2HB       TRP  23   5.664   6.842   3.947
  134   2HB   TRP  23          3HB       TRP  23   4.598   6.139   2.750
  135    H    HIS  24           H        HIS  24   7.458   8.448   3.866
  136    HA   HIS  24           HA       HIS  24   9.412   9.833   2.453
  137   1HB   HIS  24          2HB       HIS  24   8.965   9.844   4.937
  138   2HB   HIS  24          3HB       HIS  24   9.810   8.304   5.062
  139    H    GLY  25           H        GLY  25   9.218   6.298   2.903
  140   1HA   GLY  25          3HA       GLY  25  10.815   4.655   2.483
  141   2HA   GLY  25          2HA       GLY  25  12.003   5.883   2.067
  142    H    GLN  26           H        GLN  26   9.339   6.778   0.308
  143    HA   GLN  26           HA       GLN  26   8.686   6.697  -1.762
  144   1HB   GLN  26          2HB       GLN  26  11.076   6.441  -2.506
  145   2HB   GLN  26          3HB       GLN  26  10.802   4.687  -2.568
  146   1HG   GLN  26          2HG       GLN  26   8.903   5.071  -4.139
  147   2HG   GLN  26          3HG       GLN  26   9.239   6.807  -4.110
  148    H    LEU  27           H        LEU  27   6.896   5.838  -2.198
  149    HA   LEU  27           HA       LEU  27   5.130   4.544  -1.291
  150   1HB   LEU  27          2HB       LEU  27   4.313   3.582  -3.307
  151   2HB   LEU  27          3HB       LEU  27   5.021   5.105  -3.515
  152    HG   LEU  27           HG       LEU  27   7.113   3.257  -4.161
  153    H    HIS  28           H        HIS  28   5.010   3.209   0.324
  154    HA   HIS  28           HA       HIS  28   6.536   0.789   0.538
  155   1HB   HIS  28          2HB       HIS  28   5.528   2.569   2.313
  156   2HB   HIS  28          3HB       HIS  28   4.233   1.396   2.386
  157    H    CYS  29           H        CYS  29   3.676   1.234  -1.104
  158    HA   CYS  29           HA       CYS  29   1.618   0.169  -1.225
  159   1HB   CYS  29          2HB       CYS  29   3.570  -1.759  -2.507
  160   2HB   CYS  29          3HB       CYS  29   1.860  -1.547  -2.874
  161    H    LEU  30           H        LEU  30   0.611  -0.527   0.682
  162    HA   LEU  30           HA       LEU  30   1.039  -3.340   1.377
  163   1HB   LEU  30          2HB       LEU  30   2.446  -2.667   2.947
  164   2HB   LEU  30          3HB       LEU  30   1.922  -0.995   2.861
  165    HG   LEU  30           HG       LEU  30  -0.041  -1.574   4.309
  166    HA   PRO  31           HA       PRO  31  -3.424  -2.866   1.340
  167   1HB   PRO  31          2HB       PRO  31  -4.068  -5.409   2.375
  168   2HB   PRO  31          3HB       PRO  31  -3.767  -5.043   0.677
  169   1HG   PRO  31          2HG       PRO  31  -1.953  -6.312   2.645
  170   2HG   PRO  31          3HG       PRO  31  -2.022  -6.506   0.862
  171   1HD   PRO  31          2HD       PRO  31  -0.112  -5.018   2.254
  172   2HD   PRO  31          3HD       PRO  31  -0.520  -4.783   0.548
  173    H    GLN  32           H        GLN  32  -2.354  -4.796   4.099
  174    HA   GLN  32           HA       GLN  32  -2.407  -4.699   6.317
  175   1HB   GLN  32          2HB       GLN  32  -1.723  -2.264   5.939
  176   2HB   GLN  32          3HB       GLN  32  -3.406  -1.829   6.236
  177   1HG   GLN  32          2HG       GLN  32  -3.292  -2.872   8.473
  178   2HG   GLN  32          3HG       GLN  32  -1.629  -3.395   8.160
  179    H    THR  33           H        THR  33  -5.102  -2.928   5.019
  180    HA   THR  33           HA       THR  33  -7.116  -4.692   6.372
  181    HB   THR  33           HB       THR  33  -7.330  -1.683   5.994
  182    H    PHE  34           H        PHE  34  -5.873  -3.570   3.446
  183    HA   PHE  34           HA       PHE  34  -8.254  -2.811   2.116
  184   1HB   PHE  34          2HB       PHE  34  -5.757  -2.135   1.793
  185   2HB   PHE  34          3HB       PHE  34  -5.662  -3.507   0.723
  186    HZ   PHE  34           HZ       PHE  34  -8.654   0.323  -2.635
  187    H    LEU  35           H        LEU  35  -9.491  -4.646   2.622
  188    HA   LEU  35           HA       LEU  35 -10.730  -6.450   2.199
  189   1HB   LEU  35          2HB       LEU  35 -10.770  -5.914  -0.178
  190   2HB   LEU  35          3HB       LEU  35  -9.290  -6.834  -0.426
  191    HG   LEU  35           HG       LEU  35 -11.101  -8.544   1.042
  192    HA   PRO  36           HA       PRO  36  -7.319  -8.938   3.945
  193   1HB   PRO  36          2HB       PRO  36  -8.413  -9.590   6.357
  194   2HB   PRO  36          3HB       PRO  36  -7.811  -7.943   6.016
  195   1HG   PRO  36          2HG       PRO  36 -10.675  -8.941   5.768
  196   2HG   PRO  36          3HG       PRO  36 -10.084  -7.508   6.673
  197   1HD   PRO  36          2HD       PRO  36 -11.056  -7.314   4.137
  198   2HD   PRO  36          3HD       PRO  36  -9.694  -6.302   4.696
  199    H    GLY  37           H        GLY  37  -8.552  -9.909   1.906
  200   1HA   GLY  37          3HA       GLY  37 -10.138 -11.940   1.515
  201   2HA   GLY  37          2HA       GLY  37  -8.991 -12.767   2.603
  202    H    CYS  38           H        CYS  38  -7.031 -10.632   1.059
  203    HA   CYS  38           HA       CYS  38  -6.088 -12.361  -1.038
  204   1HB   CYS  38          2HB       CYS  38  -8.267 -11.479  -1.949
  205   2HB   CYS  38          3HB       CYS  38  -7.662  -9.846  -1.703
  206    H    ASP  39           H        ASP  39  -4.404 -11.830   0.582
  207    HA   ASP  39           HA       ASP  39  -3.543  -9.187   1.152
  208   1HB   ASP  39          2HB       ASP  39  -3.060 -11.223   2.511
  209   2HB   ASP  39          3HB       ASP  39  -1.930 -11.769   1.265

  No H/Q in entry =         209
  Start of MODEL    4
    1    H    LYS   1           H        LYS   1   7.206   6.539  -4.787
    2    HA   LYS   1           HA       LYS   1   9.104   7.928  -6.645
    3   1HB   LYS   1          2HB       LYS   1   6.343   6.773  -6.920
    4   2HB   LYS   1          3HB       LYS   1   6.640   8.277  -7.768
    5   1HG   LYS   1          2HG       LYS   1   7.035   6.451  -9.246
    6   2HG   LYS   1          3HG       LYS   1   8.530   7.329  -8.990
    7   1HD   LYS   1          2HD       LYS   1   7.895   4.820  -7.393
    8   2HD   LYS   1          3HD       LYS   1   8.476   4.687  -9.045
    9   1HE   LYS   1          2HE       LYS   1   9.983   6.111  -6.813
   10   2HE   LYS   1          3HE       LYS   1  10.268   4.451  -7.327
   11   1HZ   LYS   1          2HZ       LYS   1  10.586   6.819  -9.054
   12   2HZ   LYS   1          3HZ       LYS   1  11.806   5.987  -8.334
   13   3HZ   LYS   1          1HZ       LYS   1  10.889   5.262  -9.490
   14    H    GLU   2           H        GLU   2   8.597  10.028  -7.366
   15    HA   GLU   2           HA       GLU   2   8.909  12.161  -6.744
   16   1HB   GLU   2          2HB       GLU   2   6.735  13.377  -6.438
   17   2HB   GLU   2          3HB       GLU   2   6.889  12.399  -7.882
   18   1HG   GLU   2          2HG       GLU   2   5.319  10.809  -7.195
   19   2HG   GLU   2          3HG       GLU   2   5.517  11.179  -5.483
   20    HE2  GLU   2          2HE       GLU   2   2.846  13.259  -7.522
   21    H    HIS   3           H        HIS   3   6.484  12.724  -4.421
   22    HA   HIS   3           HA       HIS   3   8.051  11.636  -2.187
   23   1HB   HIS   3          2HB       HIS   3   7.035  14.498  -2.240
   24   2HB   HIS   3          3HB       HIS   3   7.554  13.637  -0.793
   25    H    CYS   4           H        CYS   4   6.231  10.170  -3.261
   26    HA   CYS   4           HA       CYS   4   3.845  10.528  -1.527
   27   1HB   CYS   4          2HB       CYS   4   3.335  11.075  -3.835
   28   2HB   CYS   4          3HB       CYS   4   3.898   9.505  -4.384
   29    H    GLY   5           H        GLY   5   4.333   7.618  -3.539
   30   1HA   GLY   5          3HA       GLY   5   3.418   5.807  -2.006
   31   2HA   GLY   5          2HA       GLY   5   4.904   6.057  -1.063
   32    H    SER   6           H        SER   6   4.402   3.599  -1.907
   33    HA   SER   6           HA       SER   6   6.224   3.305  -4.286
   34   1HB   SER   6          2HB       SER   6   7.173   1.324  -3.433
   35   2HB   SER   6          3HB       SER   6   7.386   2.657  -2.297
   36    HG   SER   6           HG       SER   6   6.406   1.532  -0.843
   37    H    ILE   7           H        ILE   7   5.088   0.316  -3.561
   38    HA   ILE   7           HA       ILE   7   3.974   0.187  -6.220
   39    HB   ILE   7           HB       ILE   7   3.775  -1.920  -4.044
   40   1HD1  ILE   7          2HD       ILE   7   6.312  -0.277  -6.378
   41   2HD1  ILE   7          3HD       ILE   7   7.506  -1.561  -6.125
   42   3HD1  ILE   7          1HD       ILE   7   6.079  -1.878  -7.123
   43    H    LEU   8           H        LEU   8   1.747  -0.612  -6.806
   44    HA   LEU   8           HA       LEU   8  -0.378  -0.465  -4.775
   45   1HB   LEU   8          2HB       LEU   8   0.033   1.941  -5.578
   46   2HB   LEU   8          3HB       LEU   8  -0.491   1.385  -7.175
   47    HG   LEU   8           HG       LEU   8  -2.603   0.533  -6.059
   48    H    HIS   9           H        HIS   9  -1.881  -1.793  -5.274
   49    HA   HIS   9           HA       HIS   9  -3.177  -3.457  -6.340
   50   1HB   HIS   9          2HB       HIS   9  -3.186  -1.088  -8.153
   51   2HB   HIS   9          3HB       HIS   9  -4.331  -2.436  -8.247
   52    H    GLY  10           H        GLY  10  -0.711  -4.474  -6.598
   53   1HA   GLY  10          3HA       GLY  10   0.731  -5.647  -7.989
   54   2HA   GLY  10          2HA       GLY  10   0.017  -4.865  -9.410
   55    H    THR  11           H        THR  11  -1.676  -6.707  -6.820
   56    HA   THR  11           HA       THR  11  -2.264  -9.049  -8.215
   57    HB   THR  11           HB       THR  11  -4.258  -7.898  -6.292
   58    H    TRP  12           H        TRP  12  -2.878  -8.483 -10.409
   59    HA   TRP  12           HA       TRP  12  -5.010  -6.574 -10.806
   60   1HB   TRP  12          2HB       TRP  12  -2.838  -7.155 -12.241
   61   2HB   TRP  12          3HB       TRP  12  -3.913  -8.295 -13.033
   62    H    LEU  13           H        LEU  13  -6.705  -7.016 -12.460
   63    HA   LEU  13           HA       LEU  13  -8.874  -7.557 -12.532
   64   1HB   LEU  13          2HB       LEU  13  -7.751 -10.209 -12.402
   65   2HB   LEU  13          3HB       LEU  13  -9.073 -10.124 -11.256
   66    HG   LEU  13           HG       LEU  13 -10.520  -9.240 -13.181
   67    HA   PRO  14           HA       PRO  14  -9.954  -6.238  -8.515
   68   1HB   PRO  14          2HB       PRO  14 -12.429  -7.106  -7.794
   69   2HB   PRO  14          3HB       PRO  14 -12.143  -6.022  -9.189
   70   1HG   PRO  14          2HG       PRO  14 -12.503  -9.033  -9.222
   71   2HG   PRO  14          3HG       PRO  14 -13.299  -7.810 -10.262
   72   1HD   PRO  14          2HD       PRO  14 -11.100  -9.223 -11.031
   73   2HD   PRO  14          3HD       PRO  14 -11.364  -7.535 -11.574
   74    H    LYS  15           H        LYS  15  -8.103  -7.399  -7.642
   75    HA   LYS  15           HA       LYS  15  -8.730  -9.701  -5.894
   76   1HB   LYS  15          2HB       LYS  15  -6.120  -8.683  -6.884
   77   2HB   LYS  15          3HB       LYS  15  -6.393 -10.193  -5.993
   78   1HG   LYS  15          2HG       LYS  15  -7.501  -9.599  -8.761
   79   2HG   LYS  15          3HG       LYS  15  -5.995 -10.443  -8.430
   80   1HD   LYS  15          2HD       LYS  15  -7.137 -12.299  -7.416
   81   2HD   LYS  15          3HD       LYS  15  -8.683 -11.436  -7.422
   82   1HE   LYS  15          2HE       LYS  15  -8.442 -13.152  -9.252
   83   2HE   LYS  15          3HE       LYS  15  -8.889 -11.527  -9.774
   84   1HZ   LYS  15          2HZ       LYS  15  -6.161 -12.647  -9.929
   85   2HZ   LYS  15          3HZ       LYS  15  -7.196 -12.460 -11.195
   86   3HZ   LYS  15          1HZ       LYS  15  -6.596 -11.136 -10.424
   87    H    LYS  16           H        LYS  16  -6.718  -9.599  -4.073
   88    HA   LYS  16           HA       LYS  16  -7.053  -7.132  -2.513
   89   1HB   LYS  16          2HB       LYS  16  -5.506  -8.041  -0.952
   90   2HB   LYS  16          3HB       LYS  16  -6.716  -9.250  -1.348
   91   1HG   LYS  16          2HG       LYS  16  -4.884 -10.201  -2.992
   92   2HG   LYS  16          3HG       LYS  16  -3.770  -9.205  -2.037
   93   1HD   LYS  16          2HD       LYS  16  -4.795 -10.382   0.045
   94   2HD   LYS  16          3HD       LYS  16  -5.488 -11.520  -1.121
   95   1HE   LYS  16          2HE       LYS  16  -3.480 -12.553  -0.517
   96   2HE   LYS  16          3HE       LYS  16  -3.068 -11.762  -2.048
   97   1HZ   LYS  16          2HZ       LYS  16  -2.528 -10.671   0.657
   98   2HZ   LYS  16          3HZ       LYS  16  -1.397 -11.385  -0.322
   99   3HZ   LYS  16          1HZ       LYS  16  -2.089  -9.928  -0.692
  100    H    CYS  17           H        CYS  17  -6.680  -5.921  -4.685
  101    HA   CYS  17           HA       CYS  17  -4.227  -5.827  -5.962
  102   1HB   CYS  17          2HB       CYS  17  -6.171  -3.546  -5.659
  103   2HB   CYS  17          3HB       CYS  17  -5.153  -3.962  -7.020
  104    H    SER  18           H        SER  18  -2.467  -5.463  -4.913
  105    HA   SER  18           HA       SER  18  -1.791  -5.068  -2.596
  106   1HB   SER  18          2HB       SER  18  -0.567  -3.512  -4.952
  107   2HB   SER  18          3HB       SER  18   0.374  -4.061  -3.603
  108    HG   SER  18           HG       SER  18  -0.070  -6.215  -4.322
  109    H    LEU  19           H        LEU  19  -1.686  -3.481  -0.865
  110    HA   LEU  19           HA       LEU  19  -3.319  -1.144  -1.466
  111   1HB   LEU  19          2HB       LEU  19  -3.841  -2.602   0.495
  112   2HB   LEU  19          3HB       LEU  19  -2.274  -2.199   1.196
  113    HG   LEU  19           HG       LEU  19  -3.115   0.324   0.987
  114    H    CYS  20           H        CYS  20  -0.279  -1.582   0.410
  115    HA   CYS  20           HA       CYS  20   1.455  -0.164   0.888
  116   1HB   CYS  20          2HB       CYS  20   1.579  -0.217  -1.588
  117   2HB   CYS  20          3HB       CYS  20   0.572   1.211  -1.700
  118    H    ARG  21           H        ARG  21   1.978   2.322   0.833
  119    HA   ARG  21           HA       ARG  21  -0.207   4.047   1.759
  120   1HB   ARG  21          2HB       ARG  21   1.877   2.919   3.624
  121   2HB   ARG  21          3HB       ARG  21   1.461   4.634   3.786
  122   1HG   ARG  21          2HG       ARG  21  -0.880   4.137   4.082
  123   2HG   ARG  21          3HG       ARG  21  -0.611   2.406   3.843
  124   1HD   ARG  21          2HD       ARG  21   0.776   3.964   6.046
  125   2HD   ARG  21          3HD       ARG  21  -0.829   3.241   6.261
  126    HE   ARG  21           HE       ARG  21   0.475   1.124   5.340
  127    H    CYS  22           H        CYS  22   0.164   5.774   0.522
  128    HA   CYS  22           HA       CYS  22   2.869   6.663  -0.187
  129   1HB   CYS  22          2HB       CYS  22   1.269   7.039  -1.899
  130   2HB   CYS  22          3HB       CYS  22   0.019   7.521  -0.764
  131    H    TRP  23           H        TRP  23   3.839   8.475   0.801
  132    HA   TRP  23           HA       TRP  23   2.385  10.010   2.817
  133   1HB   TRP  23          2HB       TRP  23   3.200   7.961   4.033
  134   2HB   TRP  23          3HB       TRP  23   4.846   8.445   3.681
  135    H    HIS  24           H        HIS  24   5.749   9.329   1.802
  136    HA   HIS  24           HA       HIS  24   6.088  12.094   0.893
  137   1HB   HIS  24          2HB       HIS  24   6.421  11.860   3.533
  138   2HB   HIS  24          3HB       HIS  24   8.023  11.300   3.058
  139    H    GLY  25           H        GLY  25   6.476   9.278  -0.184
  140   1HA   GLY  25          3HA       GLY  25   9.148   9.681  -1.415
  141   2HA   GLY  25          2HA       GLY  25   7.879   8.558  -1.933
  142    H    GLN  26           H        GLN  26   7.230   7.159   0.352
  143    HA   GLN  26           HA       GLN  26   9.642   5.737   1.196
  144   1HB   GLN  26          2HB       GLN  26   9.194   6.170   3.576
  145   2HB   GLN  26          3HB       GLN  26   9.567   7.665   2.727
  146   1HG   GLN  26          2HG       GLN  26   7.170   8.242   2.629
  147   2HG   GLN  26          3HG       GLN  26   6.742   6.734   3.433
  148    H    LEU  27           H        LEU  27   8.959   4.165   2.797
  149    HA   LEU  27           HA       LEU  27   7.824   2.455   3.693
  150   1HB   LEU  27          2HB       LEU  27   5.331   3.626   2.431
  151   2HB   LEU  27          3HB       LEU  27   5.333   2.169   3.391
  152    HG   LEU  27           HG       LEU  27   6.532   4.724   4.521
  153    H    HIS  28           H        HIS  28   8.364   0.548   3.088
  154    HA   HIS  28           HA       HIS  28   8.603  -0.270   0.362
  155   1HB   HIS  28          2HB       HIS  28   9.944  -1.067   2.382
  156   2HB   HIS  28          3HB       HIS  28   8.566  -2.074   2.819
  157    H    CYS  29           H        CYS  29   5.873  -0.315   2.537
  158    HA   CYS  29           HA       CYS  29   3.614  -0.844   2.157
  159   1HB   CYS  29          2HB       CYS  29   4.653  -0.903  -0.658
  160   2HB   CYS  29          3HB       CYS  29   2.982  -1.111  -0.172
  161    H    LEU  30           H        LEU  30   2.138  -2.620   1.861
  162    HA   LEU  30           HA       LEU  30   3.349  -5.261   1.708
  163   1HB   LEU  30          2HB       LEU  30   2.716  -5.988   3.824
  164   2HB   LEU  30          3HB       LEU  30   3.772  -4.604   3.957
  165    HG   LEU  30           HG       LEU  30   0.799  -4.724   4.581
  166    HA   PRO  31           HA       PRO  31  -0.827  -5.488  -0.099
  167   1HB   PRO  31          2HB       PRO  31  -0.310  -7.167  -2.126
  168   2HB   PRO  31          3HB       PRO  31   0.495  -5.568  -2.058
  169   1HG   PRO  31          2HG       PRO  31   1.640  -8.209  -1.128
  170   2HG   PRO  31          3HG       PRO  31   2.361  -7.022  -2.274
  171   1HD   PRO  31          2HD       PRO  31   2.878  -7.049   0.452
  172   2HD   PRO  31          3HD       PRO  31   2.928  -5.558  -0.543
  173    H    GLN  32           H        GLN  32   0.323  -7.162   2.242
  174    HA   GLN  32           HA       GLN  32  -0.316  -9.915   1.891
  175   1HB   GLN  32          2HB       GLN  32   1.398  -9.077   3.415
  176   2HB   GLN  32          3HB       GLN  32   0.208  -8.162   4.315
  177   1HG   GLN  32          2HG       GLN  32  -0.753 -10.846   4.380
  178   2HG   GLN  32          3HG       GLN  32   0.993 -10.992   4.524
  179    H    THR  33           H        THR  33  -1.797  -8.118   4.574
  180    HA   THR  33           HA       THR  33  -4.530  -8.723   3.544
  181    HB   THR  33           HB       THR  33  -3.557  -9.044   6.403
  182    H    PHE  34           H        PHE  34  -2.551  -6.206   4.232
  183    HA   PHE  34           HA       PHE  34  -3.478  -4.946   6.454
  184   1HB   PHE  34          2HB       PHE  34  -1.450  -4.515   4.850
  185   2HB   PHE  34          3HB       PHE  34  -2.485  -3.314   4.108
  186    HZ   PHE  34           HZ       PHE  34  -0.774  -0.438   8.955
  187    H    LEU  35           H        LEU  35  -4.798  -4.438   3.171
  188    HA   LEU  35           HA       LEU  35  -7.364  -4.140   4.295
  189   1HB   LEU  35          2HB       LEU  35  -6.797  -1.794   4.590
  190   2HB   LEU  35          3HB       LEU  35  -6.278  -1.672   2.917
  191    HG   LEU  35           HG       LEU  35  -8.579  -2.033   2.125
  192    HA   PRO  36           HA       PRO  36  -7.378  -5.988   0.041
  193   1HB   PRO  36          2HB       PRO  36  -9.525  -7.617   0.346
  194   2HB   PRO  36          3HB       PRO  36  -7.916  -8.017   1.019
  195   1HG   PRO  36          2HG       PRO  36 -10.266  -6.739   2.453
  196   2HG   PRO  36          3HG       PRO  36  -9.279  -8.140   2.981
  197   1HD   PRO  36          2HD       PRO  36  -8.808  -5.608   3.860
  198   2HD   PRO  36          3HD       PRO  36  -7.468  -6.755   3.574
  199    H    GLY  37           H        GLY  37  -9.208  -6.062  -1.618
  200   1HA   GLY  37          3HA       GLY  37 -11.391  -4.129  -1.070
  201   2HA   GLY  37          2HA       GLY  37 -11.411  -5.518  -2.185
  202    H    CYS  38           H        CYS  38  -8.580  -4.123  -2.863
  203    HA   CYS  38           HA       CYS  38  -7.862  -3.167  -4.713
  204   1HB   CYS  38          2HB       CYS  38  -9.607  -4.926  -5.525
  205   2HB   CYS  38          3HB       CYS  38 -10.528  -3.514  -6.028
  206    H    ASP  39           H        ASP  39  -9.460  -1.428  -2.836
  207    HA   ASP  39           HA       ASP  39 -11.061   0.466  -3.812
  208   1HB   ASP  39          2HB       ASP  39 -10.435   0.388  -1.471
  209   2HB   ASP  39          3HB       ASP  39  -8.790   0.936  -1.849

  No H/Q in entry =         209
  Start of MODEL    5
    1    H    LYS   1           H        LYS   1   4.799  16.218  -5.145
    2    HA   LYS   1           HA       LYS   1   5.058  14.979  -2.588
    3   1HB   LYS   1          2HB       LYS   1   2.655  14.706  -2.647
    4   2HB   LYS   1          3HB       LYS   1   3.114  16.286  -3.228
    5   1HG   LYS   1          2HG       LYS   1   1.479  15.763  -4.740
    6   2HG   LYS   1          3HG       LYS   1   2.905  15.276  -5.630
    7   1HD   LYS   1          2HD       LYS   1   1.195  13.617  -5.950
    8   2HD   LYS   1          3HD       LYS   1   2.461  12.890  -4.989
    9   1HE   LYS   1          2HE       LYS   1   0.361  12.199  -4.064
   10   2HE   LYS   1          3HE       LYS   1   1.099  13.316  -2.917
   11   1HZ   LYS   1          1HZ       LYS   1  -0.345  15.052  -3.804
   12   2HZ   LYS   1          2HZ       LYS   1  -1.032  13.988  -4.852
   13   3HZ   LYS   1          3HZ       LYS   1  -1.233  13.792  -3.233
   14    H    GLU   2           H        GLU   2   6.063  13.685  -5.231
   15    HA   GLU   2           HA       GLU   2   5.111  10.919  -5.040
   16   1HB   GLU   2          2HB       GLU   2   5.795  11.924  -7.216
   17   2HB   GLU   2          3HB       GLU   2   7.426  12.132  -6.607
   18   1HG   GLU   2          2HG       GLU   2   7.244   9.499  -6.161
   19   2HG   GLU   2          3HG       GLU   2   5.968   9.596  -7.361
   20    HE2  GLU   2          2HE       GLU   2   8.271  10.074  -9.952
   21    H    HIS   3           H        HIS   3   8.545  11.783  -5.103
   22    HA   HIS   3           HA       HIS   3  10.351  10.931  -4.054
   23   1HB   HIS   3          2HB       HIS   3   9.718  11.865  -2.014
   24   2HB   HIS   3          3HB       HIS   3   8.638  10.478  -1.752
   25    H    CYS   4           H        CYS   4  10.489   9.235  -5.637
   26    HA   CYS   4           HA       CYS   4  10.918   7.154  -6.224
   27   1HB   CYS   4          2HB       CYS   4  12.107   6.230  -4.694
   28   2HB   CYS   4          3HB       CYS   4  11.401   7.230  -3.466
   29    H    GLY   5           H        GLY   5   9.877   4.605  -5.880
   30   1HA   GLY   5          3HA       GLY   5   7.566   4.428  -7.316
   31   2HA   GLY   5          2HA       GLY   5   6.996   4.664  -5.658
   32    H    SER   6           H        SER   6   6.483   2.530  -4.713
   33    HA   SER   6           HA       SER   6   7.989   0.279  -5.799
   34   1HB   SER   6          2HB       SER   6   7.041   0.716  -2.922
   35   2HB   SER   6          3HB       SER   6   7.750  -0.774  -3.578
   36    HG   SER   6           HG       SER   6   9.303   0.497  -2.488
   37    H    ILE   7           H        ILE   7   6.437  -1.183  -6.514
   38    HA   ILE   7           HA       ILE   7   3.552  -0.584  -6.005
   39    HB   ILE   7           HB       ILE   7   4.867  -1.199  -8.647
   40   1HD1  ILE   7          3HD       ILE   7   5.112   2.271  -9.547
   41   2HD1  ILE   7          2HD       ILE   7   4.748   0.729 -10.354
   42   3HD1  ILE   7          1HD       ILE   7   6.098   0.837  -9.199
   43    H    LEU   8           H        LEU   8   2.173  -2.434  -6.521
   44    HA   LEU   8           HA       LEU   8   3.371  -5.106  -6.332
   45   1HB   LEU   8          2HB       LEU   8   1.514  -3.951  -4.258
   46   2HB   LEU   8          3HB       LEU   8   1.469  -5.680  -4.614
   47    HG   LEU   8           HG       LEU   8   3.957  -4.243  -3.707
   48    H    HIS   9           H        HIS   9  -0.001  -4.708  -5.655
   49    HA   HIS   9           HA       HIS   9  -0.791  -5.487  -8.431
   50   1HB   HIS   9          2HB       HIS   9  -1.100  -7.047  -5.867
   51   2HB   HIS   9          3HB       HIS   9  -1.771  -7.543  -7.428
   52    H    GLY  10           H        GLY  10  -1.609  -3.653  -5.685
   53   1HA   GLY  10          3HA       GLY  10  -3.536  -2.665  -4.961
   54   2HA   GLY  10          2HA       GLY  10  -4.468  -3.853  -5.865
   55    H    THR  11           H        THR  11  -3.962  -3.569  -8.375
   56    HA   THR  11           HA       THR  11  -3.673  -1.134  -9.617
   57    HB   THR  11           HB       THR  11  -5.343  -3.515 -10.528
   58    H    TRP  12           H        TRP  12  -5.155  -0.041  -7.772
   59    HA   TRP  12           HA       TRP  12  -7.040   1.207  -7.335
   60   1HB   TRP  12          2HB       TRP  12  -8.145   1.950  -9.757
   61   2HB   TRP  12          3HB       TRP  12  -6.876   2.745  -8.878
   62    H    LEU  13           H        LEU  13  -9.483   1.331  -8.699
   63    HA   LEU  13           HA       LEU  13 -11.309  -0.357  -7.533
   64   1HB   LEU  13          2HB       LEU  13 -11.252   0.880 -10.238
   65   2HB   LEU  13          3HB       LEU  13 -12.506  -0.289  -9.850
   66    HG   LEU  13           HG       LEU  13 -13.215   2.019  -9.553
   67    HA   PRO  14           HA       PRO  14 -10.477  -4.199 -10.160
   68   1HB   PRO  14          2HB       PRO  14  -9.062  -4.180 -12.500
   69   2HB   PRO  14          3HB       PRO  14 -10.698  -3.484 -12.380
   70   1HG   PRO  14          2HG       PRO  14  -8.050  -2.013 -12.168
   71   2HG   PRO  14          3HG       PRO  14  -9.446  -1.622 -13.218
   72   1HD   PRO  14          2HD       PRO  14  -9.119  -0.435 -10.740
   73   2HD   PRO  14          3HD       PRO  14 -10.734  -0.838 -11.398
   74    H    LYS  15           H        LYS  15  -8.562  -3.030  -8.215
   75    HA   LYS  15           HA       LYS  15  -6.073  -4.125  -8.173
   76   1HB   LYS  15          2HB       LYS  15  -6.474  -4.687  -5.755
   77   2HB   LYS  15          3HB       LYS  15  -6.953  -3.064  -6.231
   78   1HG   LYS  15          2HG       LYS  15  -9.323  -4.514  -6.599
   79   2HG   LYS  15          3HG       LYS  15  -8.591  -5.365  -5.253
   80   1HD   LYS  15          2HD       LYS  15  -8.578  -3.370  -3.895
   81   2HD   LYS  15          3HD       LYS  15  -8.918  -2.337  -5.302
   82   1HE   LYS  15          2HE       LYS  15 -11.081  -3.542  -5.639
   83   2HE   LYS  15          3HE       LYS  15 -10.800  -4.411  -4.117
   84   1HZ   LYS  15          1HZ       LYS  15 -10.771  -2.255  -3.004
   85   2HZ   LYS  15          2HZ       LYS  15 -11.048  -1.486  -4.436
   86   3HZ   LYS  15          3HZ       LYS  15 -12.194  -2.481  -3.804
   87    H    LYS  16           H        LYS  16  -5.000  -6.000  -7.918
   88    HA   LYS  16           HA       LYS  16  -6.534  -8.491  -8.415
   89   1HB   LYS  16          2HB       LYS  16  -5.029  -7.841 -10.198
   90   2HB   LYS  16          3HB       LYS  16  -3.658  -7.747  -9.086
   91   1HG   LYS  16          2HG       LYS  16  -3.679 -10.113  -8.689
   92   2HG   LYS  16          3HG       LYS  16  -5.243 -10.322  -9.477
   93   1HD   LYS  16          2HD       LYS  16  -2.729  -9.366 -10.916
   94   2HD   LYS  16          3HD       LYS  16  -3.190 -11.062 -10.807
   95   1HE   LYS  16          2HE       LYS  16  -4.904  -8.874 -12.071
   96   2HE   LYS  16          3HE       LYS  16  -3.849  -9.977 -12.962
   97   1HZ   LYS  16          1HZ       LYS  16  -5.169 -11.815 -12.159
   98   2HZ   LYS  16          2HZ       LYS  16  -6.153 -10.801 -11.316
   99   3HZ   LYS  16          3HZ       LYS  16  -6.121 -10.739 -12.958
  100    H    CYS  17           H        CYS  17  -3.907  -7.129  -6.322
  101    HA   CYS  17           HA       CYS  17  -4.689  -9.223  -4.380
  102   1HB   CYS  17          2HB       CYS  17  -2.867 -10.246  -5.557
  103   2HB   CYS  17          3HB       CYS  17  -1.838  -8.867  -5.280
  104    H    SER  18           H        SER  18  -2.069  -6.629  -4.375
  105    HA   SER  18           HA       SER  18  -3.596  -5.153  -2.397
  106   1HB   SER  18          2HB       SER  18  -2.578  -6.864  -0.999
  107   2HB   SER  18          3HB       SER  18  -0.977  -6.529  -1.736
  108    HG   SER  18           HG       SER  18  -1.087  -5.497   0.202
  109    H    LEU  19           H        LEU  19  -2.709  -3.125  -1.931
  110    HA   LEU  19           HA       LEU  19  -1.426  -1.946  -4.291
  111   1HB   LEU  19          2HB       LEU  19  -3.513  -1.033  -3.420
  112   2HB   LEU  19          3HB       LEU  19  -2.798  -0.712  -1.864
  113    HG   LEU  19           HG       LEU  19  -1.494   0.562  -4.249
  114    H    CYS  20           H        CYS  20   0.306  -0.404  -4.106
  115    HA   CYS  20           HA       CYS  20   1.885  -0.211  -1.740
  116   1HB   CYS  20          2HB       CYS  20   2.598  -2.364  -2.739
  117   2HB   CYS  20          3HB       CYS  20   2.907  -1.572  -4.254
  118    H    ARG  21           H        ARG  21   3.685   1.468  -2.372
  119    HA   ARG  21           HA       ARG  21   3.555   2.947  -4.633
  120   1HB   ARG  21          2HB       ARG  21   2.650   5.056  -3.980
  121   2HB   ARG  21          3HB       ARG  21   1.396   3.848  -3.754
  122   1HG   ARG  21          2HG       ARG  21   1.972   3.851  -1.261
  123   2HG   ARG  21          3HG       ARG  21   3.077   5.194  -1.592
  124   1HD   ARG  21          2HD       ARG  21   1.098   6.273  -0.924
  125   2HD   ARG  21          3HD       ARG  21   1.076   6.393  -2.686
  126    HE   ARG  21           HE       ARG  21  -0.246   4.008  -1.852
  127    H    CYS  22           H        CYS  22   4.939   5.116  -3.887
  128    HA   CYS  22           HA       CYS  22   6.434   4.546  -1.439
  129   1HB   CYS  22          2HB       CYS  22   7.866   4.228  -3.516
  130   2HB   CYS  22          3HB       CYS  22   7.628   5.966  -3.775
  131    H    TRP  23           H        TRP  23   6.872   6.681  -0.398
  132    HA   TRP  23           HA       TRP  23   5.442   8.943  -1.569
  133   1HB   TRP  23          2HB       TRP  23   3.957   7.477   0.072
  134   2HB   TRP  23          3HB       TRP  23   4.863   8.315   1.318
  135    H    HIS  24           H        HIS  24   5.772  10.904   0.022
  136    HA   HIS  24           HA       HIS  24   8.636  11.355  -0.001
  137   1HB   HIS  24          2HB       HIS  24   6.612  12.862  -0.724
  138   2HB   HIS  24          3HB       HIS  24   6.602  13.363   0.960
  139    H    GLY  25           H        GLY  25   8.386   9.423   1.819
  140   1HA   GLY  25          3HA       GLY  25   8.977  10.742   4.440
  141   2HA   GLY  25          2HA       GLY  25   9.657   9.219   3.870
  142    H    GLN  26           H        GLN  26   6.786   8.314   2.911
  143    HA   GLN  26           HA       GLN  26   5.800   7.495   5.549
  144   1HB   GLN  26          2HB       GLN  26   4.165   9.032   3.482
  145   2HB   GLN  26          3HB       GLN  26   3.463   8.135   4.829
  146   1HG   GLN  26          2HG       GLN  26   4.676   9.600   6.435
  147   2HG   GLN  26          3HG       GLN  26   5.310  10.540   5.076
  148    H    LEU  27           H        LEU  27   4.209   5.896   5.369
  149    HA   LEU  27           HA       LEU  27   3.158   4.054   4.738
  150   1HB   LEU  27          2HB       LEU  27   2.924   5.722   2.545
  151   2HB   LEU  27          3HB       LEU  27   3.523   4.265   1.799
  152    HG   LEU  27           HG       LEU  27   1.147   4.206   3.722
  153    H    HIS  28           H        HIS  28   3.434   1.861   4.032
  154    HA   HIS  28           HA       HIS  28   6.146   1.033   3.175
  155   1HB   HIS  28          2HB       HIS  28   4.720   0.088   5.695
  156   2HB   HIS  28          3HB       HIS  28   6.119  -0.711   4.995
  157    H    CYS  29           H        CYS  29   3.413   1.094   1.964
  158    HA   CYS  29           HA       CYS  29   2.264   0.000   0.424
  159   1HB   CYS  29          2HB       CYS  29   4.384  -2.151   0.678
  160   2HB   CYS  29          3HB       CYS  29   3.089  -2.122  -0.512
  161    H    LEU  30           H        LEU  30   0.258  -0.657   0.683
  162    HA   LEU  30           HA       LEU  30  -0.472  -3.050   1.995
  163   1HB   LEU  30          2HB       LEU  30  -1.525  -2.198   3.968
  164   2HB   LEU  30          3HB       LEU  30   0.109  -1.606   3.939
  165    HG   LEU  30           HG       LEU  30  -1.129   0.535   2.771
  166    HA   PRO  31           HA       PRO  31  -3.887  -2.215  -0.799
  167   1HB   PRO  31          2HB       PRO  31  -5.902  -3.740   0.173
  168   2HB   PRO  31          3HB       PRO  31  -4.411  -4.420  -0.521
  169   1HG   PRO  31          2HG       PRO  31  -5.167  -4.170   2.363
  170   2HG   PRO  31          3HG       PRO  31  -4.281  -5.488   1.544
  171   1HD   PRO  31          2HD       PRO  31  -3.135  -3.401   3.028
  172   2HD   PRO  31          3HD       PRO  31  -2.263  -4.397   1.845
  173    H    GLN  32           H        GLN  32  -5.484  -2.334   2.388
  174    HA   GLN  32           HA       GLN  32  -5.840   0.428   2.684
  175   1HB   GLN  32          2HB       GLN  32  -7.568   0.309   0.958
  176   2HB   GLN  32          3HB       GLN  32  -8.339  -1.065   1.756
  177   1HG   GLN  32          2HG       GLN  32  -9.578   1.018   2.128
  178   2HG   GLN  32          3HG       GLN  32  -9.004   0.361   3.652
  179    H    THR  33           H        THR  33  -7.625  -2.628   3.356
  180    HA   THR  33           HA       THR  33  -7.427  -2.067   6.270
  181    HB   THR  33           HB       THR  33  -9.625  -1.895   5.020
  182    H    PHE  34           H        PHE  34  -6.245  -4.130   3.940
  183    HA   PHE  34           HA       PHE  34  -4.997  -5.959   3.864
  184   1HB   PHE  34          2HB       PHE  34  -3.710  -4.537   5.315
  185   2HB   PHE  34          3HB       PHE  34  -4.495  -5.203   6.736
  186    HZ   PHE  34           HZ       PHE  34  -0.288  -9.225   6.012
  187    H    LEU  35           H        LEU  35  -7.530  -6.274   6.251
  188    HA   LEU  35           HA       LEU  35  -7.471  -8.977   6.767
  189   1HB   LEU  35          2HB       LEU  35  -9.154  -7.207   7.545
  190   2HB   LEU  35          3HB       LEU  35 -10.017  -7.489   6.050
  191    HG   LEU  35           HG       LEU  35 -10.033 -10.011   6.767
  192    HA   PRO  36           HA       PRO  36  -8.990 -10.328   2.469
  193   1HB   PRO  36          2HB       PRO  36  -9.439  -8.635   0.412
  194   2HB   PRO  36          3HB       PRO  36 -10.657  -8.832   1.703
  195   1HG   PRO  36          2HG       PRO  36  -8.546  -6.654   1.462
  196   2HG   PRO  36          3HG       PRO  36 -10.304  -6.460   1.738
  197   1HD   PRO  36          2HD       PRO  36  -8.472  -6.486   3.766
  198   2HD   PRO  36          3HD       PRO  36 -10.131  -7.131   3.958
  199    H    GLY  37           H        GLY  37  -6.761 -10.624   3.259
  200   1HA   GLY  37          3HA       GLY  37  -4.571 -11.139   2.753
  201   2HA   GLY  37          2HA       GLY  37  -4.480  -9.378   2.909
  202    H    CYS  38           H        CYS  38  -6.040 -10.951   0.272
  203    HA   CYS  38           HA       CYS  38  -4.181  -9.749  -1.637
  204   1HB   CYS  38          2HB       CYS  38  -3.149 -11.882  -0.840
  205   2HB   CYS  38          3HB       CYS  38  -4.510 -12.762  -1.518
  206    H    ASP  39           H        ASP  39  -6.985  -9.543  -0.911
  207    HA   ASP  39           HA       ASP  39  -9.108  -9.673  -1.493
  208   1HB   ASP  39          2HB       ASP  39  -9.667  -8.501  -3.520
  209   2HB   ASP  39          3HB       ASP  39  -8.333  -7.755  -2.650

  No H/Q in entry =         209
  Start of MODEL    6
    1    H    LYS   1           H        LYS   1  15.100   4.402  -0.748
    2    HA   LYS   1           HA       LYS   1  13.676   1.790  -0.511
    3   1HB   LYS   1          2HB       LYS   1  13.397   4.354   1.125
    4   2HB   LYS   1          3HB       LYS   1  12.075   3.219   0.958
    5   1HG   LYS   1          2HG       LYS   1  13.071   2.759   3.009
    6   2HG   LYS   1          3HG       LYS   1  13.439   1.407   1.955
    7   1HD   LYS   1          2HD       LYS   1  15.522   3.561   2.085
    8   2HD   LYS   1          3HD       LYS   1  15.226   2.737   3.603
    9   1HE   LYS   1          2HE       LYS   1  15.830   1.256   1.017
   10   2HE   LYS   1          3HE       LYS   1  17.081   1.773   2.154
   11   1HZ   LYS   1          2HZ       LYS   1  14.861  -0.065   2.779
   12   2HZ   LYS   1          3HZ       LYS   1  16.421  -0.500   2.505
   13   3HZ   LYS   1          1HZ       LYS   1  16.044   0.401   3.829
   14    H    GLU   2           H        GLU   2  11.336   2.030  -1.091
   15    HA   GLU   2           HA       GLU   2  10.997   3.066  -3.665
   16   1HB   GLU   2          2HB       GLU   2   9.778   1.175  -2.749
   17   2HB   GLU   2          3HB       GLU   2   8.952   2.206  -1.588
   18   1HG   GLU   2          2HG       GLU   2   7.795   3.381  -3.453
   19   2HG   GLU   2          3HG       GLU   2   8.653   2.362  -4.620
   20    HE2  GLU   2          2HE       GLU   2   6.649  -0.442  -3.806
   21    H    HIS   3           H        HIS   3  10.718   4.829  -0.681
   22    HA   HIS   3           HA       HIS   3   9.919   6.907  -0.150
   23   1HB   HIS   3          2HB       HIS   3  10.749   8.734  -1.546
   24   2HB   HIS   3          3HB       HIS   3  11.947   7.548  -1.104
   25    H    CYS   4           H        CYS   4   9.171   8.479  -2.813
   26    HA   CYS   4           HA       CYS   4   6.304   8.326  -2.323
   27   1HB   CYS   4          2HB       CYS   4   8.033   9.948  -4.175
   28   2HB   CYS   4          3HB       CYS   4   6.296   9.844  -4.456
   29    H    GLY   5           H        GLY   5   5.958   6.127  -2.614
   30   1HA   GLY   5          3HA       GLY   5   5.136   4.313  -3.784
   31   2HA   GLY   5          2HA       GLY   5   6.125   4.823  -5.161
   32    H    SER   6           H        SER   6   3.166   6.021  -3.420
   33    HA   SER   6           HA       SER   6   1.023   6.268  -4.150
   34   1HB   SER   6          2HB       SER   6   2.549   7.807  -6.251
   35   2HB   SER   6          3HB       SER   6   0.779   7.820  -6.127
   36    HG   SER   6           HG       SER   6   1.591   9.511  -4.975
   37    H    ILE   7           H        ILE   7   2.483   3.886  -5.308
   38    HA   ILE   7           HA       ILE   7   1.402   3.139  -7.807
   39    HB   ILE   7           HB       ILE   7   1.796   1.326  -5.411
   40   1HD1  ILE   7          3HD       ILE   7   5.482   1.004  -5.934
   41   2HD1  ILE   7          2HD       ILE   7   4.351  -0.196  -6.562
   42   3HD1  ILE   7          1HD       ILE   7   4.121   0.471  -4.924
   43    H    LEU   8           H        LEU   8  -0.477   1.890  -8.333
   44    HA   LEU   8           HA       LEU   8  -2.693   1.869  -6.391
   45   1HB   LEU   8          2HB       LEU   8  -2.684   4.043  -7.790
   46   2HB   LEU   8          3HB       LEU   8  -3.207   3.001  -9.111
   47    HG   LEU   8           HG       LEU   8  -5.123   2.240  -7.641
   48    H    HIS   9           H        HIS   9  -3.645   0.052  -6.403
   49    HA   HIS   9           HA       HIS   9  -4.235  -2.123  -6.780
   50   1HB   HIS   9          2HB       HIS   9  -3.993  -2.297  -9.688
   51   2HB   HIS   9          3HB       HIS   9  -5.350  -2.630  -8.639
   52    H    GLY  10           H        GLY  10  -3.494  -4.084  -7.204
   53   1HA   GLY  10          3HA       GLY  10  -1.036  -4.992  -6.963
   54   2HA   GLY  10          2HA       GLY  10  -0.963  -4.597  -8.683
   55    H    THR  11           H        THR  11  -3.886  -5.389  -9.134
   56    HA   THR  11           HA       THR  11  -3.395  -8.251  -9.406
   57    HB   THR  11           HB       THR  11  -6.068  -8.240  -8.673
   58    H    TRP  12           H        TRP  12  -4.664  -9.244 -10.952
   59    HA   TRP  12           HA       TRP  12  -5.874  -7.579 -13.054
   60   1HB   TRP  12          2HB       TRP  12  -4.246  -9.577 -13.383
   61   2HB   TRP  12          3HB       TRP  12  -5.603 -10.602 -12.942
   62    H    LEU  13           H        LEU  13  -7.854  -9.094 -13.946
   63    HA   LEU  13           HA       LEU  13 -10.109  -9.382 -13.774
   64   1HB   LEU  13          2HB       LEU  13  -9.000 -11.020 -11.800
   65   2HB   LEU  13          3HB       LEU  13 -10.135 -10.089 -10.880
   66    HG   LEU  13           HG       LEU  13 -11.888 -10.837 -12.710
   67    HA   PRO  14           HA       PRO  14 -11.541  -5.547 -11.879
   68   1HB   PRO  14          2HB       PRO  14 -13.608  -5.721 -10.115
   69   2HB   PRO  14          3HB       PRO  14 -13.762  -6.148 -11.841
   70   1HG   PRO  14          2HG       PRO  14 -13.233  -8.023  -9.518
   71   2HG   PRO  14          3HG       PRO  14 -14.495  -8.164 -10.786
   72   1HD   PRO  14          2HD       PRO  14 -12.138  -9.458 -10.942
   73   2HD   PRO  14          3HD       PRO  14 -12.911  -8.803 -12.419
   74    H    LYS  15           H        LYS  15  -9.257  -6.755 -10.660
   75    HA   LYS  15           HA       LYS  15  -7.713  -6.515  -9.102
   76   1HB   LYS  15          2HB       LYS  15  -9.273  -4.120  -8.051
   77   2HB   LYS  15          3HB       LYS  15  -7.585  -4.496  -7.783
   78   1HG   LYS  15          2HG       LYS  15  -7.571  -2.791  -9.332
   79   2HG   LYS  15          3HG       LYS  15  -7.172  -4.226 -10.273
   80   1HD   LYS  15          2HD       LYS  15  -9.333  -4.213 -11.329
   81   2HD   LYS  15          3HD       LYS  15  -9.995  -3.082 -10.122
   82   1HE   LYS  15          2HE       LYS  15  -8.482  -1.321 -10.988
   83   2HE   LYS  15          3HE       LYS  15  -7.832  -2.464 -12.178
   84   1HZ   LYS  15          2HZ       LYS  15 -10.651  -1.591 -12.018
   85   2HZ   LYS  15          3HZ       LYS  15  -9.552  -1.065 -13.125
   86   3HZ   LYS  15          1HZ       LYS  15 -10.034  -2.637 -13.128
   87    H    LYS  16           H        LYS  16  -7.288  -6.403  -6.644
   88    HA   LYS  16           HA       LYS  16  -9.567  -7.489  -5.046
   89   1HB   LYS  16          2HB       LYS  16  -6.793  -8.658  -5.331
   90   2HB   LYS  16          3HB       LYS  16  -7.627  -8.762  -3.801
   91   1HG   LYS  16          2HG       LYS  16  -8.211 -10.764  -4.777
   92   2HG   LYS  16          3HG       LYS  16  -9.612  -9.756  -5.071
   93   1HD   LYS  16          2HD       LYS  16  -8.207  -9.323  -7.410
   94   2HD   LYS  16          3HD       LYS  16  -7.551 -10.878  -6.965
   95   1HE   LYS  16          2HE       LYS  16  -9.444 -11.103  -8.499
   96   2HE   LYS  16          3HE       LYS  16  -9.802 -11.874  -6.946
   97   1HZ   LYS  16          2HZ       LYS  16 -10.662  -9.117  -7.585
   98   2HZ   LYS  16          3HZ       LYS  16 -11.614 -10.448  -7.898
   99   3HZ   LYS  16          1HZ       LYS  16 -11.173 -10.061  -6.359
  100    H    CYS  17           H        CYS  17  -6.536  -5.376  -4.980
  101    HA   CYS  17           HA       CYS  17  -7.891  -3.914  -2.949
  102   1HB   CYS  17          2HB       CYS  17  -5.445  -5.535  -2.262
  103   2HB   CYS  17          3HB       CYS  17  -5.435  -3.843  -1.795
  104    H    SER  18           H        SER  18  -6.554  -1.815  -2.683
  105    HA   SER  18           HA       SER  18  -4.451  -1.262  -4.505
  106   1HB   SER  18          2HB       SER  18  -7.050   0.135  -5.179
  107   2HB   SER  18          3HB       SER  18  -5.472   0.289  -5.969
  108    HG   SER  18           HG       SER  18  -6.279  -2.281  -5.992
  109    H    LEU  19           H        LEU  19  -3.448  -0.183  -2.756
  110    HA   LEU  19           HA       LEU  19  -4.169   2.601  -3.050
  111   1HB   LEU  19          2HB       LEU  19  -5.448   1.984  -0.953
  112   2HB   LEU  19          3HB       LEU  19  -3.969   1.348  -0.252
  113    HG   LEU  19           HG       LEU  19  -3.017   3.642  -0.159
  114    H    CYS  20           H        CYS  20  -2.301   4.045  -2.722
  115    HA   CYS  20           HA       CYS  20  -0.334   3.144  -0.926
  116   1HB   CYS  20          2HB       CYS  20   0.490   2.207  -3.168
  117   2HB   CYS  20          3HB       CYS  20   0.595   3.869  -3.718
  118    H    ARG  21           H        ARG  21   1.224   5.060  -0.595
  119    HA   ARG  21           HA       ARG  21   0.160   7.661  -1.550
  120   1HB   ARG  21          2HB       ARG  21   0.293   6.755   1.340
  121   2HB   ARG  21          3HB       ARG  21   0.590   8.447   0.932
  122   1HG   ARG  21          2HG       ARG  21  -1.562   8.614  -0.222
  123   2HG   ARG  21          3HG       ARG  21  -1.924   6.917   0.166
  124   1HD   ARG  21          2HD       ARG  21  -1.877   7.407   2.564
  125   2HD   ARG  21          3HD       ARG  21  -1.358   9.072   2.240
  126    HE   ARG  21           HE       ARG  21  -3.831   8.399   0.915
  127    H    CYS  22           H        CYS  22   1.849   8.664  -2.474
  128    HA   CYS  22           HA       CYS  22   4.504   8.757  -1.343
  129   1HB   CYS  22          2HB       CYS  22   4.101   9.496  -3.633
  130   2HB   CYS  22          3HB       CYS  22   2.810  10.562  -3.103
  131    H    TRP  23           H        TRP  23   3.932   8.770   0.964
  132    HA   TRP  23           HA       TRP  23   3.438  11.604   1.807
  133   1HB   TRP  23          2HB       TRP  23   2.868   8.986   3.165
  134   2HB   TRP  23          3HB       TRP  23   3.409  10.344   4.138
  135    H    HIS  24           H        HIS  24   5.758   9.244   1.190
  136    HA   HIS  24           HA       HIS  24   7.938   9.193   1.102
  137   1HB   HIS  24          2HB       HIS  24   7.576  11.536   0.241
  138   2HB   HIS  24          3HB       HIS  24   7.926  12.147   1.847
  139    H    GLY  25           H        GLY  25   6.954  10.952   4.063
  140   1HA   GLY  25          3HA       GLY  25   7.729  10.680   6.255
  141   2HA   GLY  25          2HA       GLY  25   9.025   9.612   5.691
  142    H    GLN  26           H        GLN  26   5.979   8.718   4.188
  143    HA   GLN  26           HA       GLN  26   6.091   6.302   5.765
  144   1HB   GLN  26          2HB       GLN  26   4.436   7.636   7.001
  145   2HB   GLN  26          3HB       GLN  26   3.515   7.930   5.518
  146   1HG   GLN  26          2HG       GLN  26   2.830   5.647   5.372
  147   2HG   GLN  26          3HG       GLN  26   4.096   5.114   6.488
  148    H    LEU  27           H        LEU  27   5.169   4.614   4.670
  149    HA   LEU  27           HA       LEU  27   4.024   4.923   2.055
  150   1HB   LEU  27          2HB       LEU  27   6.376   3.159   2.772
  151   2HB   LEU  27          3HB       LEU  27   5.184   2.532   1.641
  152    HG   LEU  27           HG       LEU  27   6.552   5.201   1.159
  153    H    HIS  28           H        HIS  28   4.903   2.105   3.999
  154    HA   HIS  28           HA       HIS  28   3.823   0.199   4.330
  155   1HB   HIS  28          2HB       HIS  28   1.392   1.896   5.020
  156   2HB   HIS  28          3HB       HIS  28   1.394   0.142   4.997
  157    H    CYS  29           H        CYS  29   1.284   2.176   2.836
  158    HA   CYS  29           HA       CYS  29  -0.024   1.913   1.026
  159   1HB   CYS  29          2HB       CYS  29   2.403   0.576  -0.206
  160   2HB   CYS  29          3HB       CYS  29   0.961   1.137  -1.049
  161    H    LEU  30           H        LEU  30  -1.139   0.364  -0.364
  162    HA   LEU  30           HA       LEU  30  -0.979  -2.486   0.296
  163   1HB   LEU  30          2HB       LEU  30  -3.407  -0.806   0.781
  164   2HB   LEU  30          3HB       LEU  30  -3.470  -2.571   0.530
  165    HG   LEU  30           HG       LEU  30  -2.029  -1.232   2.847
  166    HA   PRO  31           HA       PRO  31  -1.900  -1.034  -4.085
  167   1HB   PRO  31          2HB       PRO  31   0.222  -2.256  -5.345
  168   2HB   PRO  31          3HB       PRO  31   0.294  -0.628  -4.605
  169   1HG   PRO  31          2HG       PRO  31   1.223  -3.254  -3.432
  170   2HG   PRO  31          3HG       PRO  31   2.045  -1.658  -3.398
  171   1HD   PRO  31          2HD       PRO  31   0.521  -2.645  -1.279
  172   2HD   PRO  31          3HD       PRO  31   0.655  -0.898  -1.635
  173    H    GLN  32           H        GLN  32  -0.723  -4.143  -2.830
  174    HA   GLN  32           HA       GLN  32  -3.318  -5.252  -3.442
  175   1HB   GLN  32          2HB       GLN  32  -2.043  -6.123  -5.299
  176   2HB   GLN  32          3HB       GLN  32  -0.754  -6.707  -4.250
  177   1HG   GLN  32          2HG       GLN  32  -2.386  -8.435  -5.152
  178   2HG   GLN  32          3HG       GLN  32  -2.123  -8.486  -3.425
  179    H    THR  33           H        THR  33  -0.769  -7.330  -2.207
  180    HA   THR  33           HA       THR  33  -1.901  -6.972   0.522
  181    HB   THR  33           HB       THR  33  -0.735  -9.504  -0.679
  182    H    PHE  34           H        PHE  34  -0.109  -5.181   0.360
  183    HA   PHE  34           HA       PHE  34   2.630  -6.051   0.819
  184   1HB   PHE  34          2HB       PHE  34   1.868  -3.770   0.010
  185   2HB   PHE  34          3HB       PHE  34   1.325  -3.438   1.650
  186    HZ   PHE  34           HZ       PHE  34   7.051  -2.311   2.264
  187    H    LEU  35           H        LEU  35  -0.253  -5.933   2.737
  188    HA   LEU  35           HA       LEU  35   1.180  -7.094   5.003
  189   1HB   LEU  35          2HB       LEU  35   0.546  -4.672   5.542
  190   2HB   LEU  35          3HB       LEU  35  -1.126  -5.107   5.202
  191    HG   LEU  35           HG       LEU  35  -0.907  -6.874   7.069
  192    HA   PRO  36           HA       PRO  36  -2.138  -9.942   3.823
  193   1HB   PRO  36          2HB       PRO  36  -2.072 -11.781   5.842
  194   2HB   PRO  36          3HB       PRO  36  -0.782 -11.628   4.616
  195   1HG   PRO  36          2HG       PRO  36  -0.843 -10.388   7.390
  196   2HG   PRO  36          3HG       PRO  36   0.466 -11.366   6.646
  197   1HD   PRO  36          2HD       PRO  36   0.534  -8.661   6.607
  198   2HD   PRO  36          3HD       PRO  36   1.078  -9.600   5.186
  199    H    GLY  37           H        GLY  37  -3.341  -7.881   4.235
  200   1HA   GLY  37          3HA       GLY  37  -4.701  -6.782   6.070
  201   2HA   GLY  37          2HA       GLY  37  -5.572  -8.341   6.165
  202    H    CYS  38           H        CYS  38  -5.121  -8.465   3.066
  203    HA   CYS  38           HA       CYS  38  -7.185  -6.572   2.205
  204   1HB   CYS  38          2HB       CYS  38  -4.752  -5.583   2.615
  205   2HB   CYS  38          3HB       CYS  38  -4.425  -6.281   1.038
  206    H    ASP  39           H        ASP  39  -7.735  -9.034   2.025
  207    HA   ASP  39           HA       ASP  39  -6.763 -10.503  -0.263
  208   1HB   ASP  39          2HB       ASP  39  -8.621 -11.990   0.164
  209   2HB   ASP  39          3HB       ASP  39  -7.863 -11.568   1.700

  No H/Q in entry =         209
  Start of MODEL    7
    1    H    LYS   1           H        LYS   1   7.468  17.816   5.887
    2    HA   LYS   1           HA       LYS   1   8.044  15.053   5.869
    3   1HB   LYS   1          2HB       LYS   1   6.008  14.803   7.200
    4   2HB   LYS   1          3HB       LYS   1   7.022  16.116   7.741
    5   1HG   LYS   1          2HG       LYS   1   4.822  16.852   7.983
    6   2HG   LYS   1          3HG       LYS   1   5.462  17.757   6.615
    7   1HD   LYS   1          2HD       LYS   1   4.143  16.451   5.050
    8   2HD   LYS   1          3HD       LYS   1   3.793  15.230   6.280
    9   1HE   LYS   1          2HE       LYS   1   1.819  16.561   5.938
   10   2HE   LYS   1          3HE       LYS   1   2.451  16.840   7.564
   11   1HZ   LYS   1          2HZ       LYS   1   2.819  18.640   5.249
   12   2HZ   LYS   1          3HZ       LYS   1   1.789  18.883   6.505
   13   3HZ   LYS   1          1HZ       LYS   1   3.409  18.905   6.767
   14    H    GLU   2           H        GLU   2   7.522  16.118   3.147
   15    HA   GLU   2           HA       GLU   2   5.034  15.024   2.148
   16   1HB   GLU   2          2HB       GLU   2   6.346  16.958   1.161
   17   2HB   GLU   2          3HB       GLU   2   7.532  15.790   0.578
   18   1HG   GLU   2          2HG       GLU   2   5.657  14.658  -0.713
   19   2HG   GLU   2          3HG       GLU   2   4.566  15.919  -0.143
   20    HE2  GLU   2          2HE       GLU   2   5.499  17.864  -2.836
   21    H    HIS   3           H        HIS   3   8.431  14.042   1.436
   22    HA   HIS   3           HA       HIS   3   9.404  12.012   0.918
   23   1HB   HIS   3          2HB       HIS   3   6.971  10.422   1.685
   24   2HB   HIS   3          3HB       HIS   3   8.666   9.970   1.721
   25    H    CYS   4           H        CYS   4   8.534   9.914  -0.715
   26    HA   CYS   4           HA       CYS   4   7.614  11.436  -3.070
   27   1HB   CYS   4          2HB       CYS   4   8.318   9.302  -4.264
   28   2HB   CYS   4          3HB       CYS   4   9.566  10.286  -3.535
   29    H    GLY   5           H        GLY   5   6.272   9.639  -4.605
   30   1HA   GLY   5          3HA       GLY   5   3.684   9.277  -3.930
   31   2HA   GLY   5          2HA       GLY   5   4.500   7.955  -3.068
   32    H    SER   6           H        SER   6   4.235   6.020  -4.409
   33    HA   SER   6           HA       SER   6   4.422   6.329  -7.300
   34   1HB   SER   6          2HB       SER   6   5.112   3.876  -7.119
   35   2HB   SER   6          3HB       SER   6   6.324   5.051  -6.577
   36    HG   SER   6           HG       SER   6   5.830   3.158  -5.167
   37    H    ILE   7           H        ILE   7   3.056   4.904  -8.314
   38    HA   ILE   7           HA       ILE   7   0.449   4.396  -6.966
   39    HB   ILE   7           HB       ILE   7   0.914   5.015  -9.888
   40   1HD1  ILE   7          1HD       ILE   7  -0.971   7.200  -7.345
   41   2HD1  ILE   7          2HD       ILE   7   0.550   6.776  -6.531
   42   3HD1  ILE   7          3HD       ILE   7   0.366   8.365  -7.286
   43    H    LEU   8           H        LEU   8  -0.829   2.623  -7.750
   44    HA   LEU   8           HA       LEU   8   0.162   0.511  -9.449
   45   1HB   LEU   8          2HB       LEU   8   1.347   0.463  -7.064
   46   2HB   LEU   8          3HB       LEU   8  -0.175  -0.255  -6.552
   47    HG   LEU   8           HG       LEU   8   0.196  -2.036  -8.313
   48    H    HIS   9           H        HIS   9  -1.394  -1.496  -8.580
   49    HA   HIS   9           HA       HIS   9  -3.985  -1.744  -8.013
   50   1HB   HIS   9          2HB       HIS   9  -5.308  -1.218 -10.009
   51   2HB   HIS   9          3HB       HIS   9  -4.779   0.205  -9.141
   52    H    GLY  10           H        GLY  10  -3.696  -3.793  -7.932
   53   1HA   GLY  10          3HA       GLY  10  -2.098  -5.245  -9.916
   54   2HA   GLY  10          2HA       GLY  10  -3.821  -5.677  -9.906
   55    H    THR  11           H        THR  11  -4.531  -7.092  -8.304
   56    HA   THR  11           HA       THR  11  -2.534  -8.070  -6.378
   57    HB   THR  11           HB       THR  11  -5.431  -7.751  -5.577
   58    H    TRP  12           H        TRP  12  -2.304 -10.143  -7.056
   59    HA   TRP  12           HA       TRP  12  -4.246 -11.356  -8.804
   60   1HB   TRP  12          2HB       TRP  12  -1.559 -11.537  -8.612
   61   2HB   TRP  12          3HB       TRP  12  -1.969 -12.929  -7.625
   62    H    LEU  13           H        LEU  13  -4.627 -13.830  -8.367
   63    HA   LEU  13           HA       LEU  13  -6.274 -15.122  -7.547
   64   1HB   LEU  13          2HB       LEU  13  -4.729 -14.529  -5.170
   65   2HB   LEU  13          3HB       LEU  13  -6.415 -14.403  -4.752
   66    HG   LEU  13           HG       LEU  13  -6.731 -16.735  -5.794
   67    HA   PRO  14           HA       PRO  14  -9.703 -12.244  -7.383
   68   1HB   PRO  14          2HB       PRO  14 -11.724 -13.191  -5.850
   69   2HB   PRO  14          3HB       PRO  14 -11.182 -14.026  -7.333
   70   1HG   PRO  14          2HG       PRO  14 -10.400 -14.649  -4.471
   71   2HG   PRO  14          3HG       PRO  14 -10.968 -15.785  -5.735
   72   1HD   PRO  14          2HD       PRO  14  -8.337 -15.371  -5.156
   73   2HD   PRO  14          3HD       PRO  14  -8.879 -15.764  -6.818
   74    H    LYS  15           H        LYS  15  -7.805 -11.029  -6.185
   75    HA   LYS  15           HA       LYS  15  -8.756 -10.102  -3.536
   76   1HB   LYS  15          2HB       LYS  15  -6.137  -9.932  -4.920
   77   2HB   LYS  15          3HB       LYS  15  -6.631  -8.598  -3.876
   78   1HG   LYS  15          2HG       LYS  15  -5.296 -10.241  -2.628
   79   2HG   LYS  15          3HG       LYS  15  -6.885  -9.960  -1.958
   80   1HD   LYS  15          2HD       LYS  15  -6.617 -12.300  -3.803
   81   2HD   LYS  15          3HD       LYS  15  -5.739 -12.413  -2.289
   82   1HE   LYS  15          2HE       LYS  15  -8.729 -11.842  -2.499
   83   2HE   LYS  15          3HE       LYS  15  -8.020 -13.423  -2.185
   84   1HZ   LYS  15          2HZ       LYS  15  -7.702 -11.065  -0.427
   85   2HZ   LYS  15          3HZ       LYS  15  -8.700 -12.334  -0.146
   86   3HZ   LYS  15          1HZ       LYS  15  -7.075 -12.555  -0.150
   87    H    LYS  16           H        LYS  16  -7.349  -8.736  -6.549
   88    HA   LYS  16           HA       LYS  16  -7.481  -6.866  -7.731
   89   1HB   LYS  16          2HB       LYS  16  -9.649  -7.874  -8.379
   90   2HB   LYS  16          3HB       LYS  16 -10.448  -6.925  -7.118
   91   1HG   LYS  16          2HG       LYS  16  -9.577  -4.816  -8.266
   92   2HG   LYS  16          3HG       LYS  16  -8.910  -5.851  -9.530
   93   1HD   LYS  16          2HD       LYS  16 -10.974  -4.955 -10.326
   94   2HD   LYS  16          3HD       LYS  16 -11.250  -6.676 -10.003
   95   1HE   LYS  16          2HE       LYS  16 -12.306  -6.097  -7.832
   96   2HE   LYS  16          3HE       LYS  16 -11.952  -4.386  -8.101
   97   1HZ   LYS  16          2HZ       LYS  16 -13.735  -6.038  -9.778
   98   2HZ   LYS  16          3HZ       LYS  16 -14.220  -4.927  -8.667
   99   3HZ   LYS  16          1HZ       LYS  16 -13.411  -4.440 -10.012
  100    H    CYS  17           H        CYS  17  -6.142  -5.300  -6.554
  101    HA   CYS  17           HA       CYS  17  -7.431  -3.192  -5.241
  102   1HB   CYS  17          2HB       CYS  17  -7.396  -5.257  -3.564
  103   2HB   CYS  17          3HB       CYS  17  -5.692  -4.908  -3.427
  104    H    SER  18           H        SER  18  -4.853  -2.874  -3.707
  105    HA   SER  18           HA       SER  18  -2.646  -2.522  -3.893
  106   1HB   SER  18          2HB       SER  18  -2.607  -3.116  -6.759
  107   2HB   SER  18          3HB       SER  18  -1.244  -2.759  -5.722
  108    HG   SER  18           HG       SER  18  -1.812  -5.069  -6.140
  109    H    LEU  19           H        LEU  19  -1.596  -0.553  -3.869
  110    HA   LEU  19           HA       LEU  19  -2.400   1.427  -5.862
  111   1HB   LEU  19          2HB       LEU  19  -4.104   1.521  -3.977
  112   2HB   LEU  19          3HB       LEU  19  -2.834   2.066  -2.903
  113    HG   LEU  19           HG       LEU  19  -4.461   3.754  -3.878
  114    H    CYS  20           H        CYS  20  -0.372   0.762  -2.964
  115    HA   CYS  20           HA       CYS  20   1.778   1.199  -2.566
  116   1HB   CYS  20          2HB       CYS  20   2.029   0.602  -5.057
  117   2HB   CYS  20          3HB       CYS  20   2.237   2.338  -5.309
  118    H    ARG  21           H        ARG  21   3.470   3.108  -2.538
  119    HA   ARG  21           HA       ARG  21   2.548   5.795  -2.604
  120   1HB   ARG  21          2HB       ARG  21   2.147   6.230  -0.174
  121   2HB   ARG  21          3HB       ARG  21   0.905   5.292  -0.933
  122   1HG   ARG  21          2HG       ARG  21   1.875   3.188   0.012
  123   2HG   ARG  21          3HG       ARG  21   3.166   4.123   0.752
  124   1HD   ARG  21          2HD       ARG  21   1.560   3.748   2.464
  125   2HD   ARG  21          3HD       ARG  21   1.410   5.445   2.027
  126    HE   ARG  21           HE       ARG  21  -0.450   3.215   1.468
  127    H    CYS  22           H        CYS  22   5.047   4.702  -3.275
  128    HA   CYS  22           HA       CYS  22   7.216   4.489  -2.369
  129   1HB   CYS  22          2HB       CYS  22   6.935   5.774  -4.394
  130   2HB   CYS  22          3HB       CYS  22   6.751   7.238  -3.447
  131    H    TRP  23           H        TRP  23   7.982   4.443  -0.224
  132    HA   TRP  23           HA       TRP  23   7.449   6.731   1.570
  133   1HB   TRP  23          2HB       TRP  23   8.661   3.976   1.921
  134   2HB   TRP  23          3HB       TRP  23   9.042   5.226   3.057
  135    H    HIS  24           H        HIS  24   9.221   7.565   2.737
  136    HA   HIS  24           HA       HIS  24  11.389   8.811   1.521
  137   1HB   HIS  24          2HB       HIS  24  12.284   8.419   4.068
  138   2HB   HIS  24          3HB       HIS  24  11.133   9.641   3.595
  139    H    GLY  25           H        GLY  25  12.537   7.426   0.086
  140   1HA   GLY  25          3HA       GLY  25  14.669   5.880   1.290
  141   2HA   GLY  25          2HA       GLY  25  14.451   6.265  -0.414
  142    H    GLN  26           H        GLN  26  11.500   4.838   0.144
  143    HA   GLN  26           HA       GLN  26  12.495   2.148  -0.559
  144   1HB   GLN  26          2HB       GLN  26  10.797   2.798   1.895
  145   2HB   GLN  26          3HB       GLN  26  10.852   1.191   1.154
  146   1HG   GLN  26          2HG       GLN  26  13.194   0.947   1.627
  147   2HG   GLN  26          3HG       GLN  26  13.298   2.608   2.235
  148    H    LEU  27           H        LEU  27  11.081   1.142  -2.007
  149    HA   LEU  27           HA       LEU  27   9.037   2.735  -3.046
  150   1HB   LEU  27          2HB       LEU  27   8.542   1.107  -4.602
  151   2HB   LEU  27          3HB       LEU  27  10.259   1.046  -4.323
  152    HG   LEU  27           HG       LEU  27   9.593  -1.133  -4.667
  153    H    HIS  28           H        HIS  28   8.965   0.420  -0.553
  154    HA   HIS  28           HA       HIS  28   7.263  -0.514   0.763
  155   1HB   HIS  28          2HB       HIS  28   8.617   1.430   1.685
  156   2HB   HIS  28          3HB       HIS  28   7.207   2.439   1.363
  157    H    CYS  29           H        CYS  29   5.791  -0.796  -1.344
  158    HA   CYS  29           HA       CYS  29   3.502   0.869  -1.529
  159   1HB   CYS  29          2HB       CYS  29   3.818  -2.105  -2.170
  160   2HB   CYS  29          3HB       CYS  29   2.457  -1.114  -2.663
  161    H    LEU  30           H        LEU  30   1.237   0.213  -1.022
  162    HA   LEU  30           HA       LEU  30   0.930  -2.071   0.592
  163   1HB   LEU  30          2HB       LEU  30  -0.182  -1.235   2.427
  164   2HB   LEU  30          3HB       LEU  30   1.231  -0.213   2.239
  165    HG   LEU  30           HG       LEU  30  -0.302   1.520   1.141
  166    HA   PRO  31           HA       PRO  31  -2.505  -1.678  -2.168
  167   1HB   PRO  31          2HB       PRO  31  -3.708  -4.104  -1.924
  168   2HB   PRO  31          3HB       PRO  31  -1.995  -3.957  -2.431
  169   1HG   PRO  31          2HG       PRO  31  -3.064  -4.600   0.299
  170   2HG   PRO  31          3HG       PRO  31  -1.696  -5.340  -0.608
  171   1HD   PRO  31          2HD       PRO  31  -1.440  -3.335   1.346
  172   2HD   PRO  31          3HD       PRO  31  -0.253  -3.706   0.060
  173    H    GLN  32           H        GLN  32  -3.712  -2.756   0.995
  174    HA   GLN  32           HA       GLN  32  -5.522  -2.004   2.226
  175   1HB   GLN  32          2HB       GLN  32  -6.866  -1.070  -0.348
  176   2HB   GLN  32          3HB       GLN  32  -7.655  -1.183   1.186
  177   1HG   GLN  32          2HG       GLN  32  -5.273   0.600   0.639
  178   2HG   GLN  32          3HG       GLN  32  -6.958   1.101   0.754
  179    H    THR  33           H        THR  33  -4.998  -4.457   0.012
  180    HA   THR  33           HA       THR  33  -7.360  -5.962   0.698
  181    HB   THR  33           HB       THR  33  -4.554  -6.963   0.101
  182    H    PHE  34           H        PHE  34  -4.090  -6.717   1.905
  183    HA   PHE  34           HA       PHE  34  -3.321  -7.568   3.771
  184   1HB   PHE  34          2HB       PHE  34  -3.417  -5.528   4.810
  185   2HB   PHE  34          3HB       PHE  34  -5.152  -5.494   4.918
  186    HZ   PHE  34           HZ       PHE  34  -4.104  -8.113  10.062
  187    H    LEU  35           H        LEU  35  -6.902  -7.612   4.050
  188    HA   LEU  35           HA       LEU  35  -6.777 -10.557   4.358
  189   1HB   LEU  35          2HB       LEU  35  -8.075  -8.667   6.324
  190   2HB   LEU  35          3HB       LEU  35  -8.683 -10.308   6.115
  191    HG   LEU  35           HG       LEU  35  -5.807  -9.627   6.878
  192    HA   PRO  36           HA       PRO  36 -11.126  -9.531   2.390
  193   1HB   PRO  36          2HB       PRO  36 -11.973  -6.998   2.200
  194   2HB   PRO  36          3HB       PRO  36 -12.223  -7.930   3.710
  195   1HG   PRO  36          2HG       PRO  36 -10.036  -5.924   3.094
  196   2HG   PRO  36          3HG       PRO  36 -11.060  -6.034   4.565
  197   1HD   PRO  36          2HD       PRO  36  -8.541  -7.091   4.385
  198   2HD   PRO  36          3HD       PRO  36  -9.814  -7.837   5.391
  199    H    GLY  37           H        GLY  37 -11.381  -9.200   0.180
  200   1HA   GLY  37          3HA       GLY  37 -10.775  -8.586  -1.972
  201   2HA   GLY  37          2HA       GLY  37  -9.188  -9.177  -1.448
  202    H    CYS  38           H        CYS  38 -10.752  -6.359  -0.087
  203    HA   CYS  38           HA       CYS  38  -8.766  -4.513  -0.633
  204   1HB   CYS  38          2HB       CYS  38  -9.532  -5.033  -3.070
  205   2HB   CYS  38          3HB       CYS  38 -10.964  -4.114  -2.693
  206    H    ASP  39           H        ASP  39  -9.451  -4.100   1.457
  207    HA   ASP  39           HA       ASP  39 -11.259  -1.856   1.534
  208   1HB   ASP  39          2HB       ASP  39 -12.974  -3.513   1.977
  209   2HB   ASP  39          3HB       ASP  39 -12.010  -4.252   3.256

  No H/Q in entry =         209
  Start of MODEL    8
    1    H    LYS   1           H        LYS   1  14.004  15.688  -2.593
    2    HA   LYS   1           HA       LYS   1  12.650  15.131  -0.076
    3   1HB   LYS   1          2HB       LYS   1  11.594  17.290   0.195
    4   2HB   LYS   1          3HB       LYS   1  13.322  17.386   0.406
    5   1HG   LYS   1          2HG       LYS   1  12.026  18.163  -2.242
    6   2HG   LYS   1          3HG       LYS   1  12.054  19.253  -0.857
    7   1HD   LYS   1          2HD       LYS   1  14.588  19.013  -0.787
    8   2HD   LYS   1          3HD       LYS   1  14.476  18.122  -2.308
    9   1HE   LYS   1          2HE       LYS   1  15.014  20.373  -2.864
   10   2HE   LYS   1          3HE       LYS   1  13.339  20.093  -3.355
   11   1HZ   LYS   1          2HZ       LYS   1  14.206  21.481  -0.891
   12   2HZ   LYS   1          3HZ       LYS   1  13.608  22.205  -2.240
   13   3HZ   LYS   1          1HZ       LYS   1  12.641  21.229  -1.336
   14    H    GLU   2           H        GLU   2  12.649  14.141  -2.864
   15    HA   GLU   2           HA       GLU   2  10.132  14.761  -4.093
   16   1HB   GLU   2          2HB       GLU   2  10.536  12.787  -5.455
   17   2HB   GLU   2          3HB       GLU   2  11.954  13.807  -5.394
   18   1HG   GLU   2          2HG       GLU   2  11.778  11.465  -3.471
   19   2HG   GLU   2          3HG       GLU   2  12.078  11.160  -5.174
   20    HE2  GLU   2          2HE       GLU   2  15.437  11.689  -4.634
   21    H    HIS   3           H        HIS   3   8.626  12.666  -4.537
   22    HA   HIS   3           HA       HIS   3   7.768  11.546  -1.946
   23   1HB   HIS   3          2HB       HIS   3   6.648  13.789  -2.500
   24   2HB   HIS   3          3HB       HIS   3   5.944  13.008  -3.910
   25    H    CYS   4           H        CYS   4   5.975   9.886  -2.429
   26    HA   CYS   4           HA       CYS   4   6.530   8.423  -4.945
   27   1HB   CYS   4          2HB       CYS   4   6.601   6.378  -3.418
   28   2HB   CYS   4          3HB       CYS   4   8.006   7.424  -3.496
   29    H    GLY   5           H        GLY   5   4.488   7.448  -2.110
   30   1HA   GLY   5          3HA       GLY   5   2.036   8.242  -3.327
   31   2HA   GLY   5          2HA       GLY   5   2.226   7.213  -1.909
   32    H    SER   6           H        SER   6   3.279   4.730  -2.782
   33    HA   SER   6           HA       SER   6   2.777   4.583  -5.632
   34   1HB   SER   6          2HB       SER   6   4.103   2.623  -3.774
   35   2HB   SER   6          3HB       SER   6   4.275   2.777  -5.545
   36    HG   SER   6           HG       SER   6   6.032   3.773  -4.596
   37    H    ILE   7           H        ILE   7   0.253   4.391  -5.216
   38    HA   ILE   7           HA       ILE   7  -0.826   2.054  -4.192
   39    HB   ILE   7           HB       ILE   7  -1.983   3.208  -6.644
   40   1HD1  ILE   7          3HD       ILE   7  -1.610   6.698  -5.813
   41   2HD1  ILE   7          1HD       ILE   7  -0.542   5.447  -6.474
   42   3HD1  ILE   7          2HD       ILE   7  -2.191   5.616  -7.093
   43    H    LEU   8           H        LEU   8  -0.841   0.025  -4.805
   44    HA   LEU   8           HA       LEU   8   0.336  -0.873  -7.411
   45   1HB   LEU   8          2HB       LEU   8   1.421  -1.734  -5.480
   46   2HB   LEU   8          3HB       LEU   8  -0.106  -2.405  -4.865
   47    HG   LEU   8           HG       LEU   8  -0.176  -3.784  -6.982
   48    H    HIS   9           H        HIS   9  -2.481  -1.896  -5.368
   49    HA   HIS   9           HA       HIS   9  -4.542  -2.571  -5.934
   50   1HB   HIS   9          2HB       HIS   9  -5.759  -0.940  -7.156
   51   2HB   HIS   9          3HB       HIS   9  -4.574  -0.195  -6.094
   52    H    GLY  10           H        GLY  10  -2.713  -4.284  -7.408
   53   1HA   GLY  10          3HA       GLY  10  -2.593  -4.615  -9.979
   54   2HA   GLY  10          2HA       GLY  10  -4.326  -4.973  -9.815
   55    H    THR  11           H        THR  11  -4.644  -7.183  -9.801
   56    HA   THR  11           HA       THR  11  -2.801  -8.982  -8.437
   57    HB   THR  11           HB       THR  11  -5.678  -9.258  -7.669
   58    H    TRP  12           H        TRP  12  -3.706 -11.315  -8.848
   59    HA   TRP  12           HA       TRP  12  -4.765 -11.616 -11.533
   60   1HB   TRP  12          2HB       TRP  12  -4.772 -14.044 -10.861
   61   2HB   TRP  12          3HB       TRP  12  -3.214 -13.251 -10.775
   62    H    LEU  13           H        LEU  13  -6.724 -13.149 -11.732
   63    HA   LEU  13           HA       LEU  13  -8.959 -13.100 -11.899
   64   1HB   LEU  13          2HB       LEU  13  -8.539 -13.384  -9.079
   65   2HB   LEU  13          3HB       LEU  13  -9.758 -12.168  -9.248
   66    HG   LEU  13           HG       LEU  13 -10.999 -13.828 -10.812
   67    HA   PRO  14           HA       PRO  14  -9.806  -8.767 -12.650
   68   1HB   PRO  14          2HB       PRO  14 -12.297  -7.967 -11.931
   69   2HB   PRO  14          3HB       PRO  14 -12.008  -9.207 -13.182
   70   1HG   PRO  14          2HG       PRO  14 -12.650  -9.662 -10.252
   71   2HG   PRO  14          3HG       PRO  14 -13.451 -10.388 -11.683
   72   1HD   PRO  14          2HD       PRO  14 -11.499 -11.652 -10.308
   73   2HD   PRO  14          3HD       PRO  14 -11.628 -11.831 -12.083
   74    H    LYS  15           H        LYS  15  -8.102  -8.875 -10.856
   75    HA   LYS  15           HA       LYS  15  -6.955  -8.257  -9.147
   76   1HB   LYS  15          2HB       LYS  15  -6.847  -5.945  -8.487
   77   2HB   LYS  15          3HB       LYS  15  -7.056  -6.064 -10.227
   78   1HG   LYS  15          2HG       LYS  15  -9.335  -5.360 -10.118
   79   2HG   LYS  15          3HG       LYS  15  -9.420  -5.598  -8.362
   80   1HD   LYS  15          2HD       LYS  15  -7.878  -3.706  -8.027
   81   2HD   LYS  15          3HD       LYS  15  -7.776  -3.472  -9.791
   82   1HE   LYS  15          2HE       LYS  15 -10.210  -3.096  -9.901
   83   2HE   LYS  15          3HE       LYS  15 -10.368  -3.419  -8.171
   84   1HZ   LYS  15          2HZ       LYS  15  -8.865  -1.167  -9.344
   85   2HZ   LYS  15          3HZ       LYS  15 -10.352  -1.068  -8.651
   86   3HZ   LYS  15          1HZ       LYS  15  -9.052  -1.460  -7.729
   87    H    LYS  16           H        LYS  16  -6.791  -7.530  -6.842
   88    HA   LYS  16           HA       LYS  16  -9.317  -7.667  -5.313
   89   1HB   LYS  16          2HB       LYS  16  -7.900  -9.839  -5.288
   90   2HB   LYS  16          3HB       LYS  16  -6.768  -8.941  -4.263
   91   1HG   LYS  16          2HG       LYS  16  -8.543  -8.583  -2.588
   92   2HG   LYS  16          3HG       LYS  16  -9.757  -9.258  -3.690
   93   1HD   LYS  16          2HD       LYS  16  -8.633 -11.457  -3.598
   94   2HD   LYS  16          3HD       LYS  16  -7.414 -10.789  -2.484
   95   1HE   LYS  16          2HE       LYS  16  -9.180 -10.249  -0.848
   96   2HE   LYS  16          3HE       LYS  16 -10.425 -10.821  -1.968
   97   1HZ   LYS  16          2HZ       LYS  16  -8.310 -12.504  -0.779
   98   2HZ   LYS  16          3HZ       LYS  16  -9.891 -12.480  -0.321
   99   3HZ   LYS  16          1HZ       LYS  16  -9.480 -13.025  -1.816
  100    H    CYS  17           H        CYS  17  -7.347  -5.563  -6.405
  101    HA   CYS  17           HA       CYS  17  -6.622  -3.567  -5.889
  102   1HB   CYS  17          2HB       CYS  17  -9.033  -3.662  -4.869
  103   2HB   CYS  17          3HB       CYS  17  -8.174  -3.474  -3.340
  104    H    SER  18           H        SER  18  -4.809  -5.359  -5.401
  105    HA   SER  18           HA       SER  18  -3.295  -5.842  -3.406
  106   1HB   SER  18          2HB       SER  18  -2.395  -4.426  -5.867
  107   2HB   SER  18          3HB       SER  18  -1.352  -5.355  -4.804
  108    HG   SER  18           HG       SER  18  -2.285  -6.545  -6.669
  109    H    LEU  19           H        LEU  19  -2.676  -4.885  -1.549
  110    HA   LEU  19           HA       LEU  19  -2.581  -2.056  -1.221
  111   1HB   LEU  19          2HB       LEU  19  -3.210  -3.714   0.500
  112   2HB   LEU  19          3HB       LEU  19  -1.570  -4.322   0.546
  113    HG   LEU  19           HG       LEU  19  -2.450  -1.518   1.374
  114    H    CYS  20           H        CYS  20  -1.116  -0.819  -2.109
  115    HA   CYS  20           HA       CYS  20   1.421  -0.941  -0.856
  116   1HB   CYS  20          2HB       CYS  20   1.891  -1.965  -3.124
  117   2HB   CYS  20          3HB       CYS  20   1.357  -0.444  -3.844
  118    H    ARG  21           H        ARG  21   2.327   1.376  -1.046
  119    HA   ARG  21           HA       ARG  21   1.199   3.558  -2.060
  120   1HB   ARG  21          2HB       ARG  21   0.275   3.090   0.817
  121   2HB   ARG  21          3HB       ARG  21   0.594   4.699   0.189
  122   1HG   ARG  21          2HG       ARG  21  -1.059   3.890  -1.781
  123   2HG   ARG  21          3HG       ARG  21  -1.641   2.840  -0.482
  124   1HD   ARG  21          2HD       ARG  21  -3.011   4.763  -0.396
  125   2HD   ARG  21          3HD       ARG  21  -1.902   4.915   0.957
  126    HE   ARG  21           HE       ARG  21  -0.841   6.697  -0.049
  127    H    CYS  22           H        CYS  22   2.478   5.447  -0.791
  128    HA   CYS  22           HA       CYS  22   4.673   4.492   0.800
  129   1HB   CYS  22          2HB       CYS  22   5.628   3.947  -1.254
  130   2HB   CYS  22          3HB       CYS  22   5.166   5.471  -1.991
  131    H    TRP  23           H        TRP  23   4.455   5.954   2.459
  132    HA   TRP  23           HA       TRP  23   3.149   8.520   1.809
  133   1HB   TRP  23          2HB       TRP  23   2.845   6.808   3.981
  134   2HB   TRP  23          3HB       TRP  23   3.762   8.134   4.662
  135    H    HIS  24           H        HIS  24   4.821   9.364   0.666
  136    HA   HIS  24           HA       HIS  24   6.473  10.823   0.234
  137   1HB   HIS  24          2HB       HIS  24   5.517  11.882   2.409
  138   2HB   HIS  24          3HB       HIS  24   6.978  11.286   3.179
  139    H    GLY  25           H        GLY  25   7.175   8.161   2.249
  140   1HA   GLY  25          3HA       GLY  25  10.025   8.216   2.331
  141   2HA   GLY  25          2HA       GLY  25   9.458   7.225   0.975
  142    H    GLN  26           H        GLN  26   7.369   7.444   3.865
  143    HA   GLN  26           HA       GLN  26   8.301   4.906   4.986
  144   1HB   GLN  26          2HB       GLN  26   5.919   6.708   5.612
  145   2HB   GLN  26          3HB       GLN  26   6.398   5.279   6.537
  146   1HG   GLN  26          2HG       GLN  26   8.622   6.346   6.992
  147   2HG   GLN  26          3HG       GLN  26   8.047   7.820   6.198
  148    H    LEU  27           H        LEU  27   6.697   3.271   5.384
  149    HA   LEU  27           HA       LEU  27   5.345   1.562   4.771
  150   1HB   LEU  27          2HB       LEU  27   4.094   3.271   2.601
  151   2HB   LEU  27          3HB       LEU  27   3.505   1.741   3.215
  152    HG   LEU  27           HG       LEU  27   3.611   4.328   4.815
  153    H    HIS  28           H        HIS  28   4.651   0.555   2.231
  154    HA   HIS  28           HA       HIS  28   6.331   0.594   0.134
  155   1HB   HIS  28          2HB       HIS  28   7.636  -1.602   0.498
  156   2HB   HIS  28          3HB       HIS  28   8.274  -0.153   1.226
  157    H    CYS  29           H        CYS  29   6.067  -1.715  -1.053
  158    HA   CYS  29           HA       CYS  29   3.225  -2.191  -1.075
  159   1HB   CYS  29          2HB       CYS  29   5.479  -3.631  -2.528
  160   2HB   CYS  29          3HB       CYS  29   3.759  -3.762  -2.869
  161    H    LEU  30           H        LEU  30   2.053  -3.731  -0.126
  162    HA   LEU  30           HA       LEU  30   3.243  -6.261   0.693
  163   1HB   LEU  30          2HB       LEU  30   2.024  -4.341   2.634
  164   2HB   LEU  30          3HB       LEU  30   2.124  -6.099   2.912
  165    HG   LEU  30           HG       LEU  30   4.507  -4.243   2.632
  166    HA   PRO  31           HA       PRO  31  -1.069  -6.212  -1.041
  167   1HB   PRO  31          2HB       PRO  31  -0.722  -7.927  -3.120
  168   2HB   PRO  31          3HB       PRO  31  -0.086  -6.256  -3.147
  169   1HG   PRO  31          2HG       PRO  31   1.405  -8.793  -2.439
  170   2HG   PRO  31          3HG       PRO  31   1.900  -7.491  -3.576
  171   1HD   PRO  31          2HD       PRO  31   2.709  -7.623  -0.896
  172   2HD   PRO  31          3HD       PRO  31   2.539  -6.070  -1.778
  173    H    GLN  32           H        GLN  32   0.323  -8.060   1.074
  174    HA   GLN  32           HA       GLN  32  -0.831 -10.729   0.833
  175   1HB   GLN  32          2HB       GLN  32   0.719  -9.190   2.955
  176   2HB   GLN  32          3HB       GLN  32   0.249 -10.881   3.150
  177   1HG   GLN  32          2HG       GLN  32   1.765 -11.678   1.619
  178   2HG   GLN  32          3HG       GLN  32   1.759 -10.216   0.642
  179    H    THR  33           H        THR  33  -2.808  -8.819   0.611
  180    HA   THR  33           HA       THR  33  -4.430  -7.583   1.301
  181    HB   THR  33           HB       THR  33  -5.040 -10.065   1.824
  182    H    PHE  34           H        PHE  34  -2.932  -8.624   4.362
  183    HA   PHE  34           HA       PHE  34  -2.600  -7.636   6.340
  184   1HB   PHE  34          2HB       PHE  34  -0.604  -7.039   5.241
  185   2HB   PHE  34          3HB       PHE  34  -1.356  -5.698   4.400
  186    HZ   PHE  34           HZ       PHE  34   0.135  -2.866   9.313
  187    H    LEU  35           H        LEU  35  -3.473  -4.665   4.562
  188    HA   LEU  35           HA       LEU  35  -5.759  -4.203   6.337
  189   1HB   LEU  35          2HB       LEU  35  -3.752  -3.179   7.487
  190   2HB   LEU  35          3HB       LEU  35  -3.517  -2.157   6.076
  191    HG   LEU  35           HG       LEU  35  -5.894  -1.252   6.479
  192    HA   PRO  36           HA       PRO  36  -5.535  -3.674   1.812
  193   1HB   PRO  36          2HB       PRO  36  -7.650  -5.159   0.915
  194   2HB   PRO  36          3HB       PRO  36  -6.207  -5.886   1.662
  195   1HG   PRO  36          2HG       PRO  36  -8.812  -5.146   3.056
  196   2HG   PRO  36          3HG       PRO  36  -7.994  -6.741   3.054
  197   1HD   PRO  36          2HD       PRO  36  -7.589  -4.990   5.072
  198   2HD   PRO  36          3HD       PRO  36  -6.227  -5.943   4.413
  199    H    GLY  37           H        GLY  37  -6.112  -1.387   2.689
  200   1HA   GLY  37          3HA       GLY  37  -7.320   0.545   2.624
  201   2HA   GLY  37          2HA       GLY  37  -8.779  -0.488   2.499
  202    H    CYS  38           H        CYS  38  -6.792  -1.024  -0.116
  203    HA   CYS  38           HA       CYS  38  -6.965  -0.615  -2.271
  204   1HB   CYS  38          2HB       CYS  38  -9.124  -1.655  -1.623
  205   2HB   CYS  38          3HB       CYS  38  -9.854  -0.064  -1.515
  206    H    ASP  39           H        ASP  39  -6.676   1.834  -0.482
  207    HA   ASP  39           HA       ASP  39  -7.719   4.089  -1.915
  208   1HB   ASP  39          2HB       ASP  39  -7.232   4.206   0.470
  209   2HB   ASP  39          3HB       ASP  39  -5.506   3.949   0.169

  No H/Q in entry =         209
  Start of MODEL    9
    1    H    LYS   1           H        LYS   1   8.727  10.402   5.634
    2    HA   LYS   1           HA       LYS   1   9.664  12.823   4.174
    3   1HB   LYS   1          2HB       LYS   1  11.875  11.985   4.143
    4   2HB   LYS   1          3HB       LYS   1  11.319  12.074   5.789
    5   1HG   LYS   1          2HG       LYS   1  11.318   9.425   4.272
    6   2HG   LYS   1          3HG       LYS   1  12.763  10.085   5.020
    7   1HD   LYS   1          2HD       LYS   1  11.563  10.125   7.238
    8   2HD   LYS   1          3HD       LYS   1  10.193   9.327   6.457
    9   1HE   LYS   1          2HE       LYS   1  11.471   7.626   7.537
   10   2HE   LYS   1          3HE       LYS   1  11.678   7.433   5.795
   11   1HZ   LYS   1          2HZ       LYS   1  13.612   8.717   7.634
   12   2HZ   LYS   1          3HZ       LYS   1  13.760   7.219   6.976
   13   3HZ   LYS   1          1HZ       LYS   1  13.822   8.545   6.010
   14    H    GLU   2           H        GLU   2  11.337  11.121   2.463
   15    HA   GLU   2           HA       GLU   2  11.437  10.112   0.535
   16   1HB   GLU   2          2HB       GLU   2  10.913   8.278   2.121
   17   2HB   GLU   2          3HB       GLU   2   9.217   8.350   1.609
   18   1HG   GLU   2          2HG       GLU   2   9.866   7.815  -0.685
   19   2HG   GLU   2          3HG       GLU   2  11.579   7.878  -0.260
   20    HE2  GLU   2          2HE       GLU   2  11.411   4.464   0.212
   21    H    HIS   3           H        HIS   3   7.901  10.095   0.923
   22    HA   HIS   3           HA       HIS   3   6.273  10.030  -0.695
   23   1HB   HIS   3          2HB       HIS   3   5.637  12.244  -1.360
   24   2HB   HIS   3          3HB       HIS   3   6.146  12.187   0.313
   25    H    CYS   4           H        CYS   4   6.904   8.449  -2.202
   26    HA   CYS   4           HA       CYS   4   7.447   9.623  -4.867
   27   1HB   CYS   4          2HB       CYS   4   8.757   7.562  -5.425
   28   2HB   CYS   4          3HB       CYS   4   9.526   8.818  -4.500
   29    H    GLY   5           H        GLY   5   4.883   9.265  -3.899
   30   1HA   GLY   5          3HA       GLY   5   4.030   6.633  -4.728
   31   2HA   GLY   5          2HA       GLY   5   3.351   7.972  -5.681
   32    H    SER   6           H        SER   6   2.403   5.814  -3.368
   33    HA   SER   6           HA       SER   6   1.469   7.119  -1.205
   34   1HB   SER   6          2HB       SER   6  -0.406   7.450  -3.588
   35   2HB   SER   6          3HB       SER   6  -1.018   7.354  -1.926
   36    HG   SER   6           HG       SER   6   1.052   9.134  -2.686
   37    H    ILE   7           H        ILE   7  -0.009   5.772  -0.125
   38    HA   ILE   7           HA       ILE   7  -0.159   2.975  -0.657
   39    HB   ILE   7           HB       ILE   7  -2.207   4.676   0.761
   40   1HD1  ILE   7          3HD       ILE   7   1.239   3.408   2.983
   41   2HD1  ILE   7          1HD       ILE   7   0.157   2.125   2.429
   42   3HD1  ILE   7          2HD       ILE   7   1.169   3.001   1.258
   43    H    LEU   8           H        LEU   8  -1.521   1.886  -1.798
   44    HA   LEU   8           HA       LEU   8  -3.730   3.017  -3.384
   45   1HB   LEU   8          2HB       LEU   8  -1.038   2.338  -4.497
   46   2HB   LEU   8          3HB       LEU   8  -2.444   1.820  -5.435
   47    HG   LEU   8           HG       LEU   8  -2.196   4.695  -4.559
   48    H    HIS   9           H        HIS   9  -2.287  -0.014  -4.619
   49    HA   HIS   9           HA       HIS   9  -4.753  -1.378  -3.461
   50   1HB   HIS   9          2HB       HIS   9  -4.042  -0.852  -6.332
   51   2HB   HIS   9          3HB       HIS   9  -5.489  -1.586  -5.662
   52    H    GLY  10           H        GLY  10  -4.679  -3.719  -3.816
   53   1HA   GLY  10          3HA       GLY  10  -2.121  -4.963  -3.634
   54   2HA   GLY  10          2HA       GLY  10  -2.664  -4.949  -5.307
   55    H    THR  11           H        THR  11  -3.002  -6.461  -2.249
   56    HA   THR  11           HA       THR  11  -4.406  -7.857  -1.257
   57    HB   THR  11           HB       THR  11  -6.540  -7.425  -3.361
   58    H    TRP  12           H        TRP  12  -4.184  -8.152  -4.713
   59    HA   TRP  12           HA       TRP  12  -3.613  -9.634  -6.171
   60   1HB   TRP  12          2HB       TRP  12  -1.849  -9.995  -4.226
   61   2HB   TRP  12          3HB       TRP  12  -2.551 -11.589  -4.142
   62    H    LEU  13           H        LEU  13  -3.700 -11.902  -7.005
   63    HA   LEU  13           HA       LEU  13  -5.237 -13.148  -8.097
   64   1HB   LEU  13          2HB       LEU  13  -5.462 -13.914  -5.317
   65   2HB   LEU  13          3HB       LEU  13  -7.073 -13.860  -5.963
   66    HG   LEU  13           HG       LEU  13  -6.191 -15.342  -7.901
   67    HA   PRO  14           HA       PRO  14  -8.639 -10.409  -8.930
   68   1HB   PRO  14          2HB       PRO  14 -11.028 -11.701  -9.202
   69   2HB   PRO  14          3HB       PRO  14  -9.664 -11.896 -10.342
   70   1HG   PRO  14          2HG       PRO  14 -10.418 -13.704  -8.032
   71   2HG   PRO  14          3HG       PRO  14 -10.025 -14.167  -9.718
   72   1HD   PRO  14          2HD       PRO  14  -8.210 -14.282  -7.718
   73   2HD   PRO  14          3HD       PRO  14  -7.718 -13.821  -9.374
   74    H    LYS  15           H        LYS  15  -8.116  -9.508  -6.692
   75    HA   LYS  15           HA       LYS  15 -10.335  -9.742  -4.739
   76   1HB   LYS  15          2HB       LYS  15  -7.516  -8.826  -4.735
   77   2HB   LYS  15          3HB       LYS  15  -8.649  -8.118  -3.599
   78   1HG   LYS  15          2HG       LYS  15  -7.252 -10.244  -2.940
   79   2HG   LYS  15          3HG       LYS  15  -8.887 -10.037  -2.343
   80   1HD   LYS  15          2HD       LYS  15  -8.412 -11.709  -4.811
   81   2HD   LYS  15          3HD       LYS  15  -7.966 -12.344  -3.239
   82   1HE   LYS  15          2HE       LYS  15 -10.100 -12.501  -2.444
   83   2HE   LYS  15          3HE       LYS  15 -10.697 -11.145  -3.397
   84   1HZ   LYS  15          2HZ       LYS  15 -10.030 -13.772  -4.556
   85   2HZ   LYS  15          3HZ       LYS  15 -11.551 -13.260  -4.172
   86   3HZ   LYS  15          1HZ       LYS  15 -10.698 -12.475  -5.341
   87    H    LYS  16           H        LYS  16  -8.679  -6.736  -5.661
   88    HA   LYS  16           HA       LYS  16 -11.326  -5.740  -6.440
   89   1HB   LYS  16          2HB       LYS  16 -11.134  -5.612  -3.874
   90   2HB   LYS  16          3HB       LYS  16  -9.876  -4.428  -4.139
   91   1HG   LYS  16          2HG       LYS  16 -11.706  -3.078  -3.827
   92   2HG   LYS  16          3HG       LYS  16 -11.704  -3.168  -5.584
   93   1HD   LYS  16          2HD       LYS  16 -13.457  -4.831  -3.698
   94   2HD   LYS  16          3HD       LYS  16 -13.933  -3.347  -4.500
   95   1HE   LYS  16          2HE       LYS  16 -14.824  -4.642  -6.058
   96   2HE   LYS  16          3HE       LYS  16 -13.182  -4.764  -6.694
   97   1HZ   LYS  16          2HZ       LYS  16 -14.448  -6.687  -4.823
   98   2HZ   LYS  16          3HZ       LYS  16 -14.278  -6.916  -6.441
   99   3HZ   LYS  16          1HZ       LYS  16 -12.951  -6.872  -5.488
  100    H    CYS  17           H        CYS  17  -7.942  -4.239  -5.621
  101    HA   CYS  17           HA       CYS  17  -7.666  -3.978  -8.465
  102   1HB   CYS  17          2HB       CYS  17  -7.426  -1.543  -8.357
  103   2HB   CYS  17          3HB       CYS  17  -9.059  -2.067  -8.046
  104    H    SER  18           H        SER  18  -5.356  -3.149  -8.883
  105    HA   SER  18           HA       SER  18  -3.584  -3.245  -6.547
  106   1HB   SER  18          2HB       SER  18  -2.045  -4.704  -7.907
  107   2HB   SER  18          3HB       SER  18  -3.466  -5.514  -7.241
  108    HG   SER  18           HG       SER  18  -3.182  -6.070  -9.429
  109    H    LEU  19           H        LEU  19  -1.742  -2.347  -6.670
  110    HA   LEU  19           HA       LEU  19  -0.473  -0.858  -8.554
  111   1HB   LEU  19          2HB       LEU  19  -2.999   0.445  -7.910
  112   2HB   LEU  19          3HB       LEU  19  -1.637   1.431  -7.461
  113    HG   LEU  19           HG       LEU  19  -1.866   0.212 -10.230
  114    H    CYS  20           H        CYS  20   1.327  -1.086  -7.570
  115    HA   CYS  20           HA       CYS  20   2.005  -0.177  -4.854
  116   1HB   CYS  20          2HB       CYS  20   3.560  -1.676  -5.863
  117   2HB   CYS  20          3HB       CYS  20   3.331  -0.970  -7.467
  118    H    ARG  21           H        ARG  21   2.055   2.228  -4.461
  119    HA   ARG  21           HA       ARG  21   4.105   3.124  -6.155
  120   1HB   ARG  21          2HB       ARG  21   1.933   5.168  -5.512
  121   2HB   ARG  21          3HB       ARG  21   3.529   5.456  -6.253
  122   1HG   ARG  21          2HG       ARG  21   2.968   4.261  -8.223
  123   2HG   ARG  21          3HG       ARG  21   1.354   3.885  -7.568
  124   1HD   ARG  21          2HD       ARG  21   0.869   6.316  -7.400
  125   2HD   ARG  21          3HD       ARG  21   2.403   6.649  -8.233
  126    HE   ARG  21           HE       ARG  21   1.232   4.878  -9.904
  127    H    CYS  22           H        CYS  22   5.378   4.765  -4.796
  128    HA   CYS  22           HA       CYS  22   5.501   3.634  -2.187
  129   1HB   CYS  22          2HB       CYS  22   7.683   3.919  -2.805
  130   2HB   CYS  22          3HB       CYS  22   7.236   5.088  -4.028
  131    H    TRP  23           H        TRP  23   5.295   4.458  -0.020
  132    HA   TRP  23           HA       TRP  23   3.383   6.642  -0.123
  133   1HB   TRP  23          2HB       TRP  23   2.918   4.593   1.099
  134   2HB   TRP  23          3HB       TRP  23   4.240   4.928   2.203
  135    H    HIS  24           H        HIS  24   3.547   8.087   2.048
  136    HA   HIS  24           HA       HIS  24   5.807   9.846   1.536
  137   1HB   HIS  24          2HB       HIS  24   3.392  10.551   1.779
  138   2HB   HIS  24          3HB       HIS  24   3.517  10.195   3.499
  139    H    GLY  25           H        GLY  25   7.005   7.667   2.469
  140   1HA   GLY  25          3HA       GLY  25   7.686   8.163   5.335
  141   2HA   GLY  25          2HA       GLY  25   8.849   8.628   4.093
  142    H    GLN  26           H        GLN  26   7.113   5.710   3.198
  143    HA   GLN  26           HA       GLN  26   9.424   4.074   3.547
  144   1HB   GLN  26          2HB       GLN  26   6.844   3.629   5.122
  145   2HB   GLN  26          3HB       GLN  26   7.923   2.299   4.666
  146   1HG   GLN  26          2HG       GLN  26   9.730   3.360   6.012
  147   2HG   GLN  26          3HG       GLN  26   8.573   4.602   6.537
  148    H    LEU  27           H        LEU  27   9.064   2.269   2.185
  149    HA   LEU  27           HA       LEU  27   7.910   2.944  -0.129
  150   1HB   LEU  27          2HB       LEU  27   9.549   0.943   0.580
  151   2HB   LEU  27          3HB       LEU  27   8.099  -0.023   0.312
  152    HG   LEU  27           HG       LEU  27   9.475   1.873  -1.654
  153    H    HIS  28           H        HIS  28   6.396   0.293   1.814
  154    HA   HIS  28           HA       HIS  28   4.322  -0.675   1.606
  155   1HB   HIS  28          2HB       HIS  28   3.515   2.209   2.074
  156   2HB   HIS  28          3HB       HIS  28   2.468   0.810   2.290
  157    H    CYS  29           H        CYS  29   5.019  -0.938  -0.785
  158    HA   CYS  29           HA       CYS  29   2.633  -0.527  -2.456
  159   1HB   CYS  29          2HB       CYS  29   3.617   0.846  -3.904
  160   2HB   CYS  29          3HB       CYS  29   4.857   1.190  -2.748
  161    H    LEU  30           H        LEU  30   2.126  -2.532  -3.097
  162    HA   LEU  30           HA       LEU  30   3.819  -4.153  -4.448
  163   1HB   LEU  30          2HB       LEU  30   3.994  -6.057  -3.095
  164   2HB   LEU  30          3HB       LEU  30   4.894  -4.758  -2.355
  165    HG   LEU  30           HG       LEU  30   2.194  -5.735  -1.330
  166    HA   PRO  31           HA       PRO  31  -0.527  -4.931  -5.152
  167   1HB   PRO  31          2HB       PRO  31  -0.470  -6.771  -7.157
  168   2HB   PRO  31          3HB       PRO  31  -0.024  -5.047  -7.351
  169   1HG   PRO  31          2HG       PRO  31   1.809  -7.387  -6.991
  170   2HG   PRO  31          3HG       PRO  31   1.926  -6.016  -8.153
  171   1HD   PRO  31          2HD       PRO  31   3.308  -6.110  -5.749
  172   2HD   PRO  31          3HD       PRO  31   2.780  -4.586  -6.523
  173    H    GLN  32           H        GLN  32   1.490  -6.972  -3.410
  174    HA   GLN  32           HA       GLN  32  -0.434  -9.180  -3.115
  175   1HB   GLN  32          2HB       GLN  32   2.361  -8.858  -2.001
  176   2HB   GLN  32          3HB       GLN  32   1.274 -10.201  -1.677
  177   1HG   GLN  32          2HG       GLN  32   2.732 -10.966  -3.348
  178   2HG   GLN  32          3HG       GLN  32   1.182 -10.682  -4.141
  179    H    THR  33           H        THR  33   1.443  -8.107  -0.331
  180    HA   THR  33           HA       THR  33  -0.880  -8.229   1.274
  181    HB   THR  33           HB       THR  33   1.821  -7.089   2.080
  182    H    PHE  34           H        PHE  34  -2.167  -6.744   0.146
  183    HA   PHE  34           HA       PHE  34  -1.946  -3.944   1.110
  184   1HB   PHE  34          2HB       PHE  34  -1.190  -4.849  -1.444
  185   2HB   PHE  34          3HB       PHE  34  -2.804  -4.199  -1.675
  186    HZ   PHE  34           HZ       PHE  34   0.103   0.748  -0.326
  187    H    LEU  35           H        LEU  35  -3.659  -6.201   1.880
  188    HA   LEU  35           HA       LEU  35  -6.330  -5.873   1.128
  189   1HB   LEU  35          2HB       LEU  35  -5.188  -6.462   3.900
  190   2HB   LEU  35          3HB       LEU  35  -6.897  -6.409   3.518
  191    HG   LEU  35           HG       LEU  35  -6.351  -8.219   1.713
  192    HA   PRO  36           HA       PRO  36  -6.647  -1.878   3.563
  193   1HB   PRO  36          2HB       PRO  36  -4.516  -0.640   4.760
  194   2HB   PRO  36          3HB       PRO  36  -5.450  -1.917   5.601
  195   1HG   PRO  36          2HG       PRO  36  -2.818  -2.198   4.116
  196   2HG   PRO  36          3HG       PRO  36  -3.266  -2.856   5.718
  197   1HD   PRO  36          2HD       PRO  36  -3.371  -4.306   3.388
  198   2HD   PRO  36          3HD       PRO  36  -4.450  -4.616   4.767
  199    H    GLY  37           H        GLY  37  -7.023  -1.158   1.629
  200   1HA   GLY  37          3HA       GLY  37  -4.925  -0.559  -0.301
  201   2HA   GLY  37          2HA       GLY  37  -5.816   0.868   0.266
  202    H    CYS  38           H        CYS  38  -6.944  -2.483  -0.229
  203    HA   CYS  38           HA       CYS  38  -9.139  -1.575  -1.848
  204   1HB   CYS  38          2HB       CYS  38  -7.037  -1.395  -3.363
  205   2HB   CYS  38          3HB       CYS  38  -7.208  -3.128  -3.566
  206    H    ASP  39           H        ASP  39  -9.822  -2.675  -0.012
  207    HA   ASP  39           HA       ASP  39 -10.795  -4.355   1.145
  208   1HB   ASP  39          2HB       ASP  39 -11.749  -4.901  -1.676
  209   2HB   ASP  39          3HB       ASP  39 -12.543  -5.452  -0.202

  No H/Q in entry =         209
  Start of MODEL   10
    1    H    LYS   1           H        LYS   1   9.060  18.693   4.964
    2    HA   LYS   1           HA       LYS   1  10.510  16.270   3.999
    3   1HB   LYS   1          2HB       LYS   1   8.942  16.672   6.575
    4   2HB   LYS   1          3HB       LYS   1   9.828  15.227   6.095
    5   1HG   LYS   1          2HG       LYS   1  11.011  17.955   6.773
    6   2HG   LYS   1          3HG       LYS   1  11.089  16.480   7.736
    7   1HD   LYS   1          2HD       LYS   1  12.425  15.397   5.876
    8   2HD   LYS   1          3HD       LYS   1  12.403  16.946   5.023
    9   1HE   LYS   1          2HE       LYS   1  14.503  16.802   6.133
   10   2HE   LYS   1          3HE       LYS   1  13.536  18.033   6.953
   11   1HZ   LYS   1          2HZ       LYS   1  13.946  15.258   7.886
   12   2HZ   LYS   1          3HZ       LYS   1  14.661  16.598   8.512
   13   3HZ   LYS   1          1HZ       LYS   1  13.036  16.393   8.659
   14    H    GLU   2           H        GLU   2   9.271  16.390   2.117
   15    HA   GLU   2           HA       GLU   2   6.403  15.824   2.076
   16   1HB   GLU   2          2HB       GLU   2   6.742  15.635  -0.371
   17   2HB   GLU   2          3HB       GLU   2   7.241  17.180   0.280
   18   1HG   GLU   2          2HG       GLU   2   9.238  14.951  -0.325
   19   2HG   GLU   2          3HG       GLU   2   8.718  16.137  -1.524
   20    HE2  GLU   2          2HE       GLU   2  11.107  17.267   1.525
   21    H    HIS   3           H        HIS   3   5.810  13.820   0.536
   22    HA   HIS   3           HA       HIS   3   7.237  11.422   1.574
   23   1HB   HIS   3          2HB       HIS   3   4.215  11.608   1.559
   24   2HB   HIS   3          3HB       HIS   3   5.240  10.488   2.434
   25    H    CYS   4           H        CYS   4   7.698  10.139  -0.138
   26    HA   CYS   4           HA       CYS   4   6.457  10.293  -2.726
   27   1HB   CYS   4          2HB       CYS   4   8.592   9.368  -2.599
   28   2HB   CYS   4          3HB       CYS   4   8.225   8.371  -1.211
   29    H    GLY   5           H        GLY   5   4.945   8.727  -3.677
   30   1HA   GLY   5          3HA       GLY   5   2.557   8.291  -2.450
   31   2HA   GLY   5          2HA       GLY   5   3.431   6.791  -2.152
   32    H    SER   6           H        SER   6   2.852   5.153  -3.915
   33    HA   SER   6           HA       SER   6   1.530   6.418  -6.138
   34   1HB   SER   6          2HB       SER   6   2.695   4.863  -7.734
   35   2HB   SER   6          3HB       SER   6   3.724   6.166  -7.118
   36    HG   SER   6           HG       SER   6   4.778   4.145  -7.077
   37    H    ILE   7           H        ILE   7  -0.078   4.934  -6.886
   38    HA   ILE   7           HA       ILE   7  -0.377   2.340  -5.484
   39    HB   ILE   7           HB       ILE   7  -2.611   4.299  -5.972
   40   1HD1  ILE   7          2HD       ILE   7  -2.590   6.279  -4.471
   41   2HD1  ILE   7          1HD       ILE   7  -0.835   6.139  -4.696
   42   3HD1  ILE   7          3HD       ILE   7  -1.506   6.271  -3.066
   43    H    LEU   8           H        LEU   8  -1.511   0.827  -6.721
   44    HA   LEU   8           HA       LEU   8  -1.376   1.309  -9.667
   45   1HB   LEU   8          2HB       LEU   8   0.574   0.267  -8.558
   46   2HB   LEU   8          3HB       LEU   8  -0.402  -1.136  -8.148
   47    HG   LEU   8           HG       LEU   8   0.071  -0.161 -11.003
   48    H    HIS   9           H        HIS   9  -2.838  -0.977  -7.240
   49    HA   HIS   9           HA       HIS   9  -5.042  -1.993  -7.285
   50   1HB   HIS   9          2HB       HIS   9  -6.013  -0.460  -9.579
   51   2HB   HIS   9          3HB       HIS   9  -6.788  -0.902  -8.069
   52    H    GLY  10           H        GLY  10  -2.726  -2.830  -9.019
   53   1HA   GLY  10          3HA       GLY  10  -2.848  -4.276 -11.100
   54   2HA   GLY  10          2HA       GLY  10  -4.292  -4.988 -10.356
   55    H    THR  11           H        THR  11  -3.932  -5.688  -7.918
   56    HA   THR  11           HA       THR  11  -1.377  -6.965  -7.423
   57    HB   THR  11           HB       THR  11  -3.611  -8.354  -6.241
   58    H    TRP  12           H        TRP  12  -1.089  -9.317  -7.714
   59    HA   TRP  12           HA       TRP  12  -2.198 -10.253 -10.219
   60   1HB   TRP  12          2HB       TRP  12   0.135 -10.755  -8.821
   61   2HB   TRP  12          3HB       TRP  12  -0.787 -12.207  -8.481
   62    H    LEU  13           H        LEU  13  -3.006 -12.669 -10.198
   63    HA   LEU  13           HA       LEU  13  -4.934 -13.873 -10.001
   64   1HB   LEU  13          2HB       LEU  13  -4.897 -13.221  -7.048
   65   2HB   LEU  13          3HB       LEU  13  -5.695 -14.585  -7.850
   66    HG   LEU  13           HG       LEU  13  -2.696 -14.299  -7.729
   67    HA   PRO  14           HA       PRO  14  -8.232 -11.134 -10.539
   68   1HB   PRO  14          2HB       PRO  14 -10.449 -11.366  -8.978
   69   2HB   PRO  14          3HB       PRO  14  -9.820 -12.725  -9.946
   70   1HG   PRO  14          2HG       PRO  14  -9.270 -12.144  -7.016
   71   2HG   PRO  14          3HG       PRO  14  -9.879 -13.671  -7.741
   72   1HD   PRO  14          2HD       PRO  14  -7.246 -13.251  -7.218
   73   2HD   PRO  14          3HD       PRO  14  -7.759 -14.178  -8.672
   74    H    LYS  15           H        LYS  15  -6.208  -9.975  -8.875
   75    HA   LYS  15           HA       LYS  15  -5.510  -8.448  -7.472
   76   1HB   LYS  15          2HB       LYS  15  -6.195  -6.149  -7.842
   77   2HB   LYS  15          3HB       LYS  15  -6.035  -7.019  -9.362
   78   1HG   LYS  15          2HG       LYS  15  -8.396  -7.200  -9.627
   79   2HG   LYS  15          3HG       LYS  15  -8.717  -6.625  -7.971
   80   1HD   LYS  15          2HD       LYS  15  -7.814  -4.403  -8.625
   81   2HD   LYS  15          3HD       LYS  15  -7.583  -4.998 -10.282
   82   1HE   LYS  15          2HE       LYS  15 -10.212  -4.760  -8.746
   83   2HE   LYS  15          3HE       LYS  15  -9.684  -3.732 -10.086
   84   1HZ   LYS  15          2HZ       LYS  15 -10.252  -6.625 -10.261
   85   2HZ   LYS  15          3HZ       LYS  15 -11.239  -5.425 -10.806
   86   3HZ   LYS  15          1HZ       LYS  15  -9.774  -5.676 -11.517
   87    H    LYS  16           H        LYS  16  -6.018  -6.748  -5.714
   88    HA   LYS  16           HA       LYS  16  -8.501  -7.390  -4.216
   89   1HB   LYS  16          2HB       LYS  16  -7.399  -7.837  -2.200
   90   2HB   LYS  16          3HB       LYS  16  -6.804  -8.955  -3.400
   91   1HG   LYS  16          2HG       LYS  16  -4.686  -7.982  -3.548
   92   2HG   LYS  16          3HG       LYS  16  -5.179  -6.437  -2.893
   93   1HD   LYS  16          2HD       LYS  16  -4.606  -8.994  -1.410
   94   2HD   LYS  16          3HD       LYS  16  -3.864  -7.407  -1.212
   95   1HE   LYS  16          2HE       LYS  16  -6.610  -8.334  -0.350
   96   2HE   LYS  16          3HE       LYS  16  -5.291  -7.844   0.699
   97   1HZ   LYS  16          2HZ       LYS  16  -6.574  -5.932  -1.180
   98   2HZ   LYS  16          3HZ       LYS  16  -7.233  -6.294   0.257
   99   3HZ   LYS  16          1HZ       LYS  16  -5.747  -5.592   0.234
  100    H    CYS  17           H        CYS  17  -7.762  -4.994  -5.731
  101    HA   CYS  17           HA       CYS  17  -8.831  -3.024  -5.516
  102   1HB   CYS  17          2HB       CYS  17  -8.372  -3.072  -2.502
  103   2HB   CYS  17          3HB       CYS  17  -9.046  -1.759  -3.434
  104    H    SER  18           H        SER  18  -5.803  -3.721  -3.741
  105    HA   SER  18           HA       SER  18  -4.514  -1.792  -5.540
  106   1HB   SER  18          2HB       SER  18  -3.105  -0.961  -3.746
  107   2HB   SER  18          3HB       SER  18  -4.670  -0.274  -4.166
  108    HG   SER  18           HG       SER  18  -4.006  -0.989  -1.743
  109    H    LEU  19           H        LEU  19  -2.561  -1.838  -5.782
  110    HA   LEU  19           HA       LEU  19  -0.874  -3.448  -4.385
  111   1HB   LEU  19          2HB       LEU  19  -0.860  -4.793  -6.462
  112   2HB   LEU  19          3HB       LEU  19  -0.603  -3.349  -7.425
  113    HG   LEU  19           HG       LEU  19   1.643  -3.059  -6.483
  114    H    CYS  20           H        CYS  20   1.224  -2.184  -4.501
  115    HA   CYS  20           HA       CYS  20   2.378  -0.423  -4.126
  116   1HB   CYS  20          2HB       CYS  20   0.847   0.770  -6.398
  117   2HB   CYS  20          3HB       CYS  20   2.178   1.596  -5.601
  118    H    ARG  21           H        ARG  21   2.670   1.474  -3.283
  119    HA   ARG  21           HA       ARG  21   1.082   3.274  -2.143
  120   1HB   ARG  21          2HB       ARG  21   1.517   3.036   0.190
  121   2HB   ARG  21          3HB       ARG  21   0.728   1.554  -0.336
  122   1HG   ARG  21          2HG       ARG  21   2.792   0.296  -0.171
  123   2HG   ARG  21          3HG       ARG  21   3.758   1.757  -0.012
  124   1HD   ARG  21          2HD       ARG  21   2.420   2.248   2.133
  125   2HD   ARG  21          3HD       ARG  21   1.889   0.557   2.035
  126    HE   ARG  21           HE       ARG  21   4.705   0.675   1.742
  127    H    CYS  22           H        CYS  22   3.171   4.399  -0.587
  128    HA   CYS  22           HA       CYS  22   5.656   3.424  -1.742
  129   1HB   CYS  22          2HB       CYS  22   5.234   5.623  -2.746
  130   2HB   CYS  22          3HB       CYS  22   5.246   6.304  -1.102
  131    H    TRP  23           H        TRP  23   7.256   3.238  -0.017
  132    HA   TRP  23           HA       TRP  23   6.223   3.323   2.737
  133   1HB   TRP  23          2HB       TRP  23   7.979   1.667   1.596
  134   2HB   TRP  23          3HB       TRP  23   9.123   2.914   2.059
  135    H    HIS  24           H        HIS  24   7.172   5.615   0.611
  136    HA   HIS  24           HA       HIS  24   7.264   7.849   0.786
  137   1HB   HIS  24          2HB       HIS  24   7.540   7.671   3.791
  138   2HB   HIS  24          3HB       HIS  24   7.066   9.055   2.828
  139    H    GLY  25           H        GLY  25   9.636   6.158   2.829
  140   1HA   GLY  25          3HA       GLY  25  11.932   6.880   3.152
  141   2HA   GLY  25          2HA       GLY  25  11.812   7.898   1.717
  142    H    GLN  26           H        GLN  26  10.290   4.916   1.061
  143    HA   GLN  26           HA       GLN  26  12.360   4.108  -0.784
  144   1HB   GLN  26          2HB       GLN  26  12.866   2.819   1.377
  145   2HB   GLN  26          3HB       GLN  26  11.228   2.166   1.299
  146   1HG   GLN  26          2HG       GLN  26  11.861   1.207  -1.002
  147   2HG   GLN  26          3HG       GLN  26  13.522   1.686  -0.650
  148    H    LEU  27           H        LEU  27  11.270   2.993  -2.513
  149    HA   LEU  27           HA       LEU  27   8.556   3.584  -2.774
  150   1HB   LEU  27          2HB       LEU  27  10.391   3.070  -4.591
  151   2HB   LEU  27          3HB       LEU  27   9.717   1.445  -4.526
  152    HG   LEU  27           HG       LEU  27   8.288   4.066  -5.166
  153    H    HIS  28           H        HIS  28   9.969   0.328  -2.658
  154    HA   HIS  28           HA       HIS  28   9.272  -1.697  -2.147
  155   1HB   HIS  28          2HB       HIS  28   9.055  -0.772   0.141
  156   2HB   HIS  28          3HB       HIS  28   7.337  -0.512  -0.140
  157    H    CYS  29           H        CYS  29   6.325   0.351  -2.349
  158    HA   CYS  29           HA       CYS  29   4.187  -0.057  -3.030
  159   1HB   CYS  29          2HB       CYS  29   5.608  -1.952  -4.966
  160   2HB   CYS  29          3HB       CYS  29   3.876  -1.901  -4.859
  161    H    LEU  30           H        LEU  30   2.628  -0.988  -1.874
  162    HA   LEU  30           HA       LEU  30   2.272  -3.753  -2.079
  163   1HB   LEU  30          2HB       LEU  30   2.345  -4.487   0.104
  164   2HB   LEU  30          3HB       LEU  30   3.800  -3.553  -0.066
  165    HG   LEU  30           HG       LEU  30   2.021  -1.666   0.994
  166    HA   PRO  31           HA       PRO  31  -1.886  -2.275  -2.517
  167   1HB   PRO  31          2HB       PRO  31  -2.800  -4.002  -0.234
  168   2HB   PRO  31          3HB       PRO  31  -3.467  -3.843  -1.881
  169   1HG   PRO  31          2HG       PRO  31  -1.932  -5.983  -1.190
  170   2HG   PRO  31          3HG       PRO  31  -1.722  -5.212  -2.790
  171   1HD   PRO  31          2HD       PRO  31  -0.018  -4.936  -0.345
  172   2HD   PRO  31          3HD       PRO  31   0.455  -5.012  -2.064
  173    H    GLN  32           H        GLN  32  -0.760  -2.361   0.820
  174    HA   GLN  32           HA       GLN  32  -0.858  -1.182   2.638
  175   1HB   GLN  32          2HB       GLN  32  -0.418   0.806   1.336
  176   2HB   GLN  32          3HB       GLN  32  -2.142   1.046   1.026
  177   1HG   GLN  32          2HG       GLN  32  -1.322   2.536   2.790
  178   2HG   GLN  32          3HG       GLN  32  -2.540   1.435   3.424
  179    H    THR  33           H        THR  33  -3.879  -1.049   0.841
  180    HA   THR  33           HA       THR  33  -5.524  -1.711   3.197
  181    HB   THR  33           HB       THR  33  -6.222  -1.897   0.231
  182    H    PHE  34           H        PHE  34  -3.851  -3.332   3.778
  183    HA   PHE  34           HA       PHE  34  -3.494  -5.682   2.123
  184   1HB   PHE  34          2HB       PHE  34  -1.693  -5.059   3.536
  185   2HB   PHE  34          3HB       PHE  34  -2.719  -4.989   4.965
  186    HZ   PHE  34           HZ       PHE  34  -1.482 -10.722   5.147
  187    H    LEU  35           H        LEU  35  -4.917  -5.498   5.426
  188    HA   LEU  35           HA       LEU  35  -6.412  -7.941   4.818
  189   1HB   LEU  35          2HB       LEU  35  -4.851  -7.512   6.862
  190   2HB   LEU  35          3HB       LEU  35  -6.222  -6.682   7.558
  191    HG   LEU  35           HG       LEU  35  -6.051  -8.923   8.373
  192    HA   PRO  36           HA       PRO  36 -10.062  -5.507   6.385
  193   1HB   PRO  36          2HB       PRO  36 -10.094  -2.894   7.093
  194   2HB   PRO  36          3HB       PRO  36  -9.280  -4.103   8.133
  195   1HG   PRO  36          2HG       PRO  36  -8.018  -2.265   6.071
  196   2HG   PRO  36          3HG       PRO  36  -7.493  -2.557   7.759
  197   1HD   PRO  36          2HD       PRO  36  -6.462  -3.859   5.540
  198   2HD   PRO  36          3HD       PRO  36  -6.482  -4.573   7.183
  199    H    GLY  37           H        GLY  37 -11.816  -4.250   5.455
  200   1HA   GLY  37          3HA       GLY  37 -11.383  -2.245   3.465
  201   2HA   GLY  37          2HA       GLY  37 -12.937  -2.901   4.003
  202    H    CYS  38           H        CYS  38 -10.451  -4.976   2.739
  203    HA   CYS  38           HA       CYS  38 -12.013  -5.857   0.454
  204   1HB   CYS  38          2HB       CYS  38 -11.304  -3.644  -0.339
  205   2HB   CYS  38          3HB       CYS  38  -9.611  -4.053  -0.053
  206    H    ASP  39           H        ASP  39 -11.519  -7.561   1.919
  207    HA   ASP  39           HA       ASP  39 -10.408  -9.524   2.533
  208   1HB   ASP  39          2HB       ASP  39 -10.469  -9.418  -0.499
  209   2HB   ASP  39          3HB       ASP  39 -10.278 -10.896   0.452

  No H/Q in entry =         209