*HEADER    STRUCTURAL PROTEIN                      11-JUL-06   2HM4              
*TITLE     NEMATOCYST OUTER WALL ANTIGEN, NW1 K21P                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEMATOCYST OUTER WALL ANTIGEN;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: NW1;                                                       
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HYDRA VULGARIS;                                 
*SOURCE   3 GENE: NOWA;                                                          
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    EVOLUTION, CYSTEINE RICH, NEMATOCYST                                  
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    S.MEIER, P.R.JENSEN, S.GRZESIEK, S.OEZBEK                             
*REVDAT   1   06-FEB-07 2HM4    0                                                


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assign (resid   3   and name  HN)  (resid      3   and name  HB2 )    2.93364  0.340092  0.453456
assign (resid   4   and name  HN)  (resid      4   and name  HG1# )    2.69852  0.49556  1.159408
assign (resid   4   and name  HN)  (resid      4   and name  HA )    2.66938  0.260814  0.347752
assign (resid   4   and name  HN)  (resid      4   and name  HB )    2.44065  0.492195  1.15626
assign (resid   4   and name  HN)  (resid      3   and name  HG# )    3.55784  0.527352  0.703136
assign (resid   4   and name  HN)  (resid      3   and name  HB1 )    3.34829  0.464487  0.619316
assign (resid   4   and name  HN)  (resid      3   and name  HA )    2.16777  0.110331  0.147108
assign (resid   4   and name  HN)  (resid      3   and name  HB2 )    3.15782  0.407346  0.543128
assign (resid   4   and name  HN)  (resid      4   and name  HD## )    3.0156  0.36468  0.48624
assign (resid   4   and name  HN)  (resid      4   and name  HG2# )    2.75673  0.287019  0.382692
assign (resid   5   and name  HN)  (resid      4   and name  HG2# )    3.75613  0.586839  0.782452
assign (resid   5   and name  HN)  (resid      6   and name  HN )    3.16174  0.708522  1.244696
assign (resid   5   and name  HN)  (resid      4   and name  HB )    3.08705  0.386115  0.51482
assign (resid   5   and name  HN)  (resid      5   and name  HB )    2.84584  0.313752  0.418336
assign (resid   5   and name  HN)  (resid      4   and name  HD## )    2.82984  0.308952  0.411936
assign (resid   5   and name  HN)  (resid      5   and name  HG2# )    2.72445  0.277335  0.36978
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assign (resid   6   and name  HN)  (resid      5   and name  HG2# )    3.28427  0.445281  0.593708
assign (resid   6   and name  HN)  (resid      5   and name  HB )    3.11332  0.393996  0.525328
assign (resid   6   and name  HN)  (resid      6   and name  HA1 )    2.93132  0.339396  0.452528
assign (resid   7   and name  HN)  (resid      6   and name  HA1 )    2.56808  0.230424  0.507232
assign (resid   7   and name  HN)  (resid      7   and name  HG2# )    2.89653  0.328959  1.138612
assign (resid   7   and name  HN)  (resid      7   and name  HB )    2.8881  0.32643  0.43524
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assign (resid   8   and name  HA)  (resid      20   and name  HB2 )    3.93604  0.640812  0.854416
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assign (resid   8   and name  HN)  (resid      12   and name  HN )    3.88388  0.625164  1.033552
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assign (resid   8   and name  HA)  (resid      20   and name  HB1 )    3.76943  0.590829  0.787772
assign (resid   8   and name  HA)  (resid      9   and name  HD1 )    2.56808  0.230424  0.307232
assign (resid   8   and name  HA)  (resid      9   and name  HG# )    3.74315  0.582945  0.97726
assign (resid   8   and name  HB2)  (resid      20   and name  HA )    3.60815  0.542445  0.72326
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assign (resid   8   and name  HN)  (resid      7   and name  HN )    3.52033  0.516099  0.888132
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assign (resid   8   and name  HA)  (resid      8   and name  HB1 )    3.07827  0.483481  0.311308
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assign (resid   8   and name  HA)  (resid      9   and name  HG# )    3.07073  0.381219  1.408292
assign (resid   8   and name  HN)  (resid      8   and name  HB1 )    3.05088  0.275264  0.500352
assign (resid   8   and name  HN)  (resid      8   and name  HA )    2.87916  0.123748  0.131664
assign (resid   8   and name  HN)  (resid      7   and name  HG2# )    2.75572  0.286716  0.382288
assign (resid   10   and name  HN)  (resid      10   and name  HB# )    2.68996  0.266988  0.355984
assign (resid   10   and name  HN)  (resid      9   and name  HD# )    3.9181  0.63543  1.04724
assign (resid   10   and name  HN)  (resid      8   and name  HB# )    3.63878  0.551634  3.335512
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assign (resid   10   and name  HN)  (resid      9   and name  HB1 )    2.87235  0.3211705  0.24894
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assign (resid   11   and name  HN)  (resid      9   and name  HA )    3.78768  0.596304  1.895072
assign (resid   11   and name  HN)  (resid      11   and name  HA2 )    2.55311  0.225933  0.301244
assign (resid   11   and name  HN)  (resid      7   and name  HG2# )    3.5887  0.53661  1.71548
assign (resid   11   and name  HN)  (resid      10   and name  HN )    3.51205  0.513615  0.98482
assign (resid   11   and name  HN)  (resid      10   and name  HB# )    3.07502  0.382506  0.510008
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assign (resid   11   and name  HN)  (resid      11   and name  HA1 )    2.856  0.3168  0.4224
assign (resid   12   and name  HN)  (resid      9   and name  HA )    5.41664  0.68499  0.44666
assign (resid   12   and name  HN)  (resid      12   and name  HB1 )    2.48631  0.105893  0.104524
assign (resid   12   and name  HN)  (resid      12   and name  HB2 )    2.46047  0.198141  0.164188
assign (resid   12   and name  HN)  (resid      10   and name  HA )    3.56996  0.530988  0.707984
assign (resid   12   and name  HN)  (resid      7   and name  HG2# )    3.52312  0.516936  0.889248
assign (resid   12   and name  HN)  (resid      10   and name  HB# )    3.35818  0.467454  1.23272
assign (resid   12   and name  HN)  (resid      11   and name  HA1 )    3.09376  0.388128  0.517504
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assign (resid   12   and name  HN)  (resid      8   and name  HB# )    2.9701  0.35103  0.86804
assign (resid   12   and name  HN)  (resid      12   and name  HA )    2.84334  0.113002  0.117336
assign (resid   13   and name  HN)  (resid      13   and name  HB# )    2.45597  0.196791  0.262388
assign (resid   13   and name  HN)  (resid      12   and name  HA )    2.28519  0.245557  0.104076
assign (resid   13   and name  HN)  (resid      12   and name  HB2 )    2.92065  0.336195  1.04826
assign (resid   13   and name  HN)  (resid      13   and name  HA )    2.79024  0.197072  0.196096
assign (resid   13   and name  HN)  (resid      12   and name  HB1 )    2.77418  0.292254  0.989672
assign (resid   14   and name  HN)  (resid      14   and name  HA2 )    2.47433  0.202299  0.369732
assign (resid   14   and name  HN)  (resid      13   and name  HA )    2.40604  0.281812  0.142416
assign (resid   14   and name  HN)  (resid      14   and name  HA1 )    2.24224  0.132672  0.176896
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assign (resid   14   and name  HN)  (resid      16   and name  HN )    4.03464  0.270392  0.393856
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assign (resid   15   and name  HN)  (resid      15   and name  HA )    2.84584  0.413752  0.418336
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assign (resid   16   and name  HN)  (resid      13   and name  HB# )    3.51755  0.415265  0.48702
assign (resid   16   and name  HN)  (resid      15   and name  HB2 )    3.39342  0.278026  0.537368
assign (resid   16   and name  HN)  (resid      14   and name  HA1 )    3.33098  0.259294  0.612392
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assign (resid   16   and name  HN)  (resid      15   and name  HB1 )    3.11805  0.395415  0.52722
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assign (resid   16   and name  HA)  (resid      16   and name  HB1 )    2.753 0.4045  0.20
assign (resid   16   and name  HA)  (resid      16   and name  HB2 )    3.14563 0.20  0.25
assign (resid   16   and name  HN)  (resid      19   and name  HN )    4.04045  0.672135  1.99618
assign (resid   17   and name  HE#)  (resid      5   and name  HG2# )    3.96726  0.650178  0.866904
assign (resid   17   and name  HA)  (resid      18   and name  HA )    2.70287  0.270861  0.361148
assign (resid   17   and name  HD#)  (resid      20   and name  HA )    3.95456  0.646368  0.861824
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assign (resid   17   and name  HE#)  (resid      7   and name  HA )    3.76496  0.589488  0.785984
assign (resid   17   and name  HE#)  (resid      8   and name  HB# )    3.74745  0.584235  1.07898
assign (resid   17   and name  HD#)  (resid      6   and name  HA1 )    3.7389  0.58167  0.77556
assign (resid   17   and name  HD#)  (resid      6   and name  HA2 )    3.73049  0.679147  0.972196
assign (resid   17   and name  HE#)  (resid      8   and name  HA )    3.65299  0.555897  0.741196
assign (resid   17   and name  HE#)  (resid      4   and name  HD## )    3.62494  0.547482  0.729976
assign (resid   17   and name  HE#)  (resid      17   and name  HA )    3.6148  0.54444  0.72592
assign (resid   17   and name  HE#)  (resid      18   and name  HG# )    3.61147  0.543441  0.724588
assign (resid   17   and name  HD#)  (resid      14   and name  HA# )    3.5887  0.53661  0.71548
assign (resid   17   and name  HD#)  (resid      17   and name  HB2 )    2.4301  0.18903  0.25204
assign (resid   17   and name  HD#)  (resid      18   and name  HG# )    3.56386  0.529158  0.705544
assign (resid   17   and name  HE#)  (resid      18   and name  HA )    3.55784  0.527352  0.703136
assign (resid   17   and name  HN)  (resid      17   and name  HB2 )    2.41387  0.184161  0.245548
assign (resid   17   and name  HE#)  (resid      6   and name  HA2 )    3.48802  0.506406  0.675208
assign (resid   17   and name  HD#)  (resid      17   and name  HB1 )    2.35737  0.167211  0.222948
assign (resid   17   and name  HE#)  (resid      6   and name  HA1 )    3.39342  0.478026  0.637368
assign (resid   17   and name  HN)  (resid      17   and name  HB1 )    2.28654  0.145962  0.194616
assign (resid   17   and name  HD#)  (resid      7   and name  HA )    3.3291  0.45873  0.61164
assign (resid   17   and name  HE#)  (resid      18   and name  HG# )    3.31428  0.454284  0.605712
assign (resid   17   and name  HD#)  (resid      18   and name  HD# )    3.13999  0.401997  0.535996
assign (resid   17   and name  HD#)  (resid      8   and name  HA )    3.12888  0.398664  0.531552
assign (resid   17   and name  HN)  (resid      17   and name  HD# )    2.96925  0.350775  1.4677
assign (resid   17   and name  HD#)  (resid      18   and name  HA )    2.92595  0.337785  0.45038
assign (resid   17   and name  HA)  (resid      17   and name  HB1 )    2.9037  0.33111  0.44148
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assign (resid   17   and name  HD#)  (resid      17   and name  HA )    2.82624  0.307872  0.410496
assign (resid   17   and name  HD#)  (resid      18   and name  HG# )    4.01337  0.664011  0.885348
assign (resid   17   and name  HD#)  (resid      18   and name  HB1 )    4.00098  0.660294  0.880392
assign (resid   17   and name  HD#)  (resid      5   and name  HG2# )    4.00098  0.660294  0.880392
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assign (resid   19   and name  HN)  (resid      19   and name  HG# )    2.64985  0.654955  1.13994
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assign (resid   19   and name  HN)  (resid      19   and name  HA )    2.57115  0.231345  0.30846
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assign (resid   19   and name  HN)  (resid      20   and name  HA )    3.59189  0.537567 1.216756
assign (resid   19   and name  HN)  (resid      18   and name  HG2 )    3.48284  0.504852  0.673136
assign (resid   19   and name  HN)  (resid      18   and name  HA )    3.4268  0.48804  0.65072
assign (resid   19   and name  HN)  (resid      19   and name  HB1 )    2.29758  0.149274  0.199032
assign (resid   19   and name  HN)  (resid      18   and name  HB1 )    3.34052  0.462156  1.116208
assign (resid   19   and name  HN)  (resid      18   and name  HD1 )    3.12888  0.398664  0.531552
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assign (resid   19   and name  HN)  (resid      18   and name  HG1 )    4.05075  0.675225  0.9003
assign (resid   19   and name  HN)  (resid      17   and name  HB# )    4.02108  0.666324  0.888432
assign (resid   20   and name  HA)  (resid      21   and name  HD# )    2.70726  0.272178  0.362904
assign (resid   9   and name  HD#)  (resid      25   and name  HB# )    3.93604  1.240812  0.854416
assign (resid   9   and name  HG#)  (resid      25   and name  HN )    3.93604  0.540812  1.154416
assign (resid   9   and name  HG#)  (resid      22   and name  HA )    3.2653  0.6434 0.754416
assign (resid   20   and name  HN)  (resid      19   and name  HG# )    3.79705  0.599115  0.79882
assign (resid   20   and name  HN)  (resid      19   and name  HN )    2.54729  0.224187  0.298916
assign (resid   20   and name  HN)  (resid      20   and name  HB2 )    3.56386  0.529158  0.705544
assign (resid   20   and name  HN)  (resid      19   and name  HA )    3.5148  0.51444  0.68592
assign (resid   20   and name  HN)  (resid      20   and name  HB1 )    3.5148  0.51444  0.68592
assign (resid   20   and name  HN)  (resid      20   and name  HA )    2.32843  0.158529  0.211372
assign (resid   20   and name  HN)  (resid      19   and name  HB2 )    3.23558  0.430674  0.574232
assign (resid   20   and name  HN)  (resid      19   and name  HB1 )    3.15137  0.605411  0.540548
assign (resid   20   and name  HN)  (resid      17   and name  HA )    3.05705  0.377115  0.50282
assign (resid   20   and name  HA)  (resid      20   and name  HB1 )    2.90442  0.331326  0.441768
assign (resid   20   and name  HN)  (resid      21   and name  HD2 )    2.90154  0.330462  0.440616
assign (resid   20   and name  HN)  (resid      21   and name  HD1 )    2.72077  0.276231  0.368308
assign (resid   21   and name  HD2)  (resid      24   and name  HB1 )    2.66938  0.260814  0.347752
assign (resid   21   and name  HA)  (resid      22   and name  HD1 )    2.66938  0.260814  0.347752
assign (resid   21   and name  HA)  (resid      21   and name  HB2 )    3.27244  0.541732  0.388976
assign (resid   21   and name  HA)  (resid      21   and name  HB1 )    3.01372  0.564116  0.385488
assign (resid   21   and name  HA)  (resid      22   and name  HD2 )    2.93442  0.340326  0.453768
assign (resid   21   and name  HB#)  (resid      22   and name  HD# )    2.87848  0.323544  0.431392
assign (resid   21   and name  HD2)  (resid      24   and name  HB2 )    2.75572  0.286716  0.5288
assign (resid   23   and name  HN)  (resid      22   and name  HD# )    3.44319  0.492957  0.657276
assign (resid   23   and name  HN)  (resid      23   and name  HA1 )    2.29618  0.148854  0.398472
assign (resid   23   and name  HN)  (resid      22   and name  HG1 )    3.36018  0.468054  0.624072
assign (resid   23   and name  HN)  (resid      23   and name  HA2 )    2.28519  0.145557  0.394076
assign (resid   23   and name  HN)  (resid      22   and name  HA )    2.24462  0.133386  1.077848
assign (resid   23   and name  HN)  (resid      22   and name  HG2 )    3.22342  0.427026  0.569368
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assign (resid   24   and name  HN)  (resid      24   and name  HB2 )    2.42393  0.187179  0.249572
assign (resid   24   and name  HN)  (resid      24   and name  HB1 )    2.34582  0.163746  0.218328
assign (resid   24   and name  HN)  (resid      23   and name  HA2 )    2.98299  0.354897  0.473196
assign (resid   24   and name  HN)  (resid      23   and name  HA1 )    2.90952  0.332856  0.443808
assign (resid   25   and name  HN)  (resid      24   and name  HB1 )    2.65754  0.257262  0.343016
assign (resid   25   and name  HN)  (resid      24   and name  HN )    2.5837  0.23511  0.31348
assign (resid   25   and name  HN)  (resid      23   and name  HA# )    3.7389  0.58167  0.77556
assign (resid   25   and name  HN)  (resid      25   and name  HB2 )    2.53036  0.219108  0.292144
assign (resid   25   and name  HN)  (resid      23   and name  HN )    3.49326  0.507978  0.677304
assign (resid   25   and name  HN)  (resid      25   and name  HA )    3.29464  0.448392  0.597856
assign (resid   25   and name  HN)  (resid      24   and name  HA )    3.04179  0.372537  0.496716
assign (resid   25   and name  HN)  (resid      25   and name  HB1 )    2.77418  0.292254  0.789672
assign (resid   25   and name  HN)  (resid      26   and name  HN )    2.7226  0.17678  0.26904
assign (resid   26   and name  HN)  (resid      24   and name  HA )    3.34633  0.463899  1.118532
assign (resid   26   and name  HN)  (resid      25   and name  HB1 )    3.07827  0.183481  0.211308
assign (resid   26   and name  HN)  (resid      26   and name  HA1 )    2.00617  0.261851  0.282468
assign (resid   26   and name  HN)  (resid      25   and name  HB2 )    2.86118  0.318354  0.224472
assign (resid   26   and name  HN)  (resid      24   and name  HB# )    4.03826  0.671478  0.895304
assign (resid   27   and name  HN)  (resid      27   and name  HA )    2.70287  0.270861  0.361148
assign (resid   27   and name  HN)  (resid      27   and name  HB# )    2.49871  0.209613  0.279484
assign (resid   27   and name  HN)  (resid      26   and name  HA# )    2.24942  0.134826  0.879768
assign (resid   27   and name  HN)  (resid      27   and name  HG# )    2.77787  0.293361  0.391148
assign (resid   27   and name  HN)  (resid      24   and name  HA )    4.10346  0.3456  1.01235
assign (resid   28   and name  HN)  (resid      28   and name  HB )    2.63492  0.450476  0.633968
assign (resid   28   and name  HN)  (resid      28   and name  HG## )    2.46965  0.200895  0.26786
assign (resid   28   and name  HN)  (resid      28   and name  HG## )    3.36421  0.469263  0.625684
assign (resid   28   and name  HN)  (resid      27   and name  HB# )    3.28598  0.445794  0.594392
assign (resid   28   and name  HN)  (resid      27   and name  HA )    2.21074  0.123222  0.164296
assign (resid   28   and name  HN)  (resid      28   and name  HA )    2.80756  0.502268  0.503024
assign (resid   29   and name  HN)  (resid      29   and name  HB2 )    2.62767  0.248301  0.331068
assign (resid   29   and name  HN)  (resid      29   and name  HA )    2.51156  0.213468  0.284624
assign (resid   29   and name  HN)  (resid      28   and name  HA )    2.11084  0.093252  0.124336
assign (resid   29   and name  HN)  (resid      28   and name  HN )    3.0718  0.38154  0.90872
assign (resid   29   and name  HN)  (resid      28   and name  HG## )    2.95188  0.345564  0.460752
assign (resid   29   and name  HN)  (resid      29   and name  HB1 )    2.94545  0.343635  0.45818
assign (resid   29   and name  HN)  (resid      28   and name  HB )    2.93676  0.541028  1.154704
assign (resid   30   and name  HN)  (resid      29   and name  HB# )    3.4959  0.50877  0.67836
assign (resid   30   and name  HN)  (resid      29   and name  HA )    2.3442  0.16326  0.21768
assign (resid   30   and name  HN)  (resid      30   and name  HB# )    2.309  0.1527  0.2036
assign (resid   30   and name  HN)  (resid      31   and name  HN )    3.01185  0.363555  0.48474
assign ( resid  9  and name O   )
       ( resid  12  and name HN  ) 2.0 0.3 0.4
assign ( resid  9  and name O   )
       ( resid  12  and name N   ) 3.0 0.7 0.5
assign ( resid  13  and name O   )
       ( resid  16  and name HN  ) 2.0 0.3 0.2
assign ( resid  13  and name O   )
       ( resid  16  and name N   ) 3.0 0.7 0.3
assign ( resid  14  and name O   )
       ( resid  17  and name HN  ) 2.0 0.3 0.2
assign ( resid  14  and name O   )
       ( resid  17  and name N   ) 3.0 0.7 0.3
assign ( resid  21  and name O   )
       ( resid  25  and name HN  ) 2.0 0.3 0.4
assign ( resid  21  and name O   )
       ( resid  25  and name N   ) 3.0 0.7 0.5
assign ( resid  16  and name O   )
       ( resid  20  and name HN  ) 2.0 0.3 0.4
assign ( resid  16  and name O   )
       ( resid  20  and name N   ) 3.0 0.7 0.5
assign ( resid  22  and name O   )
       ( resid  26  and name HN  ) 2.0 0.3 0.4
assign ( resid  22  and name O   )
       ( resid  26  and name N   ) 3.0 0.7 0.5
{                                  
assign (resid   1  and name C ) (resid   2 and name N)
       (resid   2  and name CA) (resid   2 and name C)  6.5751  0.4000
                                  
assign (resid   2  and name C ) (resid   3 and name N)
       (resid   3  and name CA) (resid   3 and name C)  5.8675  0.4000
                                  
assign (resid   3  and name C ) (resid   4 and name N)
       (resid   4  and name CA) (resid   4 and name C)  7.2901  0.4000
                                  
assign (resid   4  and name C ) (resid   5 and name N)
       (resid   5  and name CA) (resid   5 and name C)  7.2624  0.4000}
                                                                   
assign (resid   6  and name C ) (resid   7 and name N)
       (resid   7  and name CA) (resid   7 and name C)  9.2390  0.4000
                                  
assign (resid   7  and name C ) (resid   8 and name N)
       (resid   8  and name CA) (resid   8 and name C)  6.8831  0.4000
                                   
assign (resid  11  and name C ) (resid  12 and name N)
       (resid  12  and name CA) (resid  12 and name C)  5.9300  0.4000
                                  
assign (resid  12  and name C ) (resid  13 and name N)
       (resid  13  and name CA) (resid  13 and name C)  5.4748  0.4000
                                  
                                
assign (resid  14  and name C ) (resid  15 and name N)
       (resid  15  and name CA) (resid  15 and name C)  5.6600  0.4000
                                  
assign (resid  15  and name C ) (resid  16 and name N)
       (resid  16  and name CA) (resid  16 and name C)  7.2257  0.4000
                                  
assign (resid  16  and name C ) (resid  17 and name N)
       (resid  17  and name CA) (resid  17 and name C)  6.7461  0.4000
                                  
assign (resid  18  and name C ) (resid  19 and name N)
       (resid  19  and name CA) (resid  19 and name C)  4.6011  0.4000
                                  
assign (resid  19  and name C ) (resid  20 and name N)
       (resid  20  and name CA) (resid  20 and name C)  6.5949  0.8000

assign (resid  23  and name C ) (resid  24 and name N)
       (resid  24  and name CA) (resid  24 and name C)  4.9534  0.4000
                                  
assign (resid  24  and name C ) (resid  25 and name N)
       (resid  25  and name CA) (resid  25 and name C)  6.2375  0.4000
{                                  
assign (resid  25  and name C ) (resid  26 and name N)
       (resid  26  and name CA) (resid  26 and name C)  7.1213  0.4000
                                  
assign (resid  26  and name C ) (resid  27 and name N)
       (resid  27  and name CA) (resid  27 and name C)  6.5902  0.4000
                                  
assign (resid  27  and name C ) (resid  28 and name N)
       (resid  28  and name CA) (resid  28 and name C)  7.2948  0.4000
                                  
assign (resid  28  and name C ) (resid  29 and name N)
       (resid  29  and name CA) (resid  29 and name C)  6.3794  0.4000
                                  
assign (resid  29  and name C ) (resid  30 and name N)
       (resid  30  and name CA) (resid  30 and name C)  7.5705  0.4000
                                  
assign (resid  30  and name C ) (resid  31 and name N)
       (resid  31  and name CA) (resid  31 and name C)  7.5501  0.4000
}
assign (resid 6 and name ha1) (resid 6 and name ca)
       (resid 6 and name n ) (resid 6 and name hn)
       (resid 6 and name ha2) (resid 6 and name ca)
       (resid 6 and name n ) (resid 6 and name hn)
   5.1 1.0
   4.5 1.0

assign (resid 11 and name ha1) (resid 11 and name ca)
       (resid 11 and name n ) (resid 11 and name hn)
       (resid 11 and name ha2) (resid 11 and name ca)
       (resid 11 and name n ) (resid 11 and name hn)
   7.1 1.0
   4.4 1.0

assign (resid 23 and name ha1) (resid 23 and name ca)
       (resid 23 and name n ) (resid 23 and name hn)
       (resid 23 and name ha2) (resid 23 and name ca)
       (resid 23 and name n ) (resid 23 and name hn)
   4.6 1.0
   5.9 1.0
{                                  
assign ( resid   2  and name N   )
       ( resid   2  and name HN  )  -3.962   0.500
                                  
assign ( resid   3  and name N   )
       ( resid   3  and name HN  )  -5.449   0.500
                                  
assign ( resid   4  and name N   )
       ( resid   4  and name HN  )  -4.299   0.500
                                  
assign ( resid   5  and name N   )
       ( resid   5  and name HN  )  -3.528   0.500
 }                                 
assign ( resid   6  and name N   )
       ( resid   6  and name HN  )  -8.964   0.500
                                  
assign ( resid   7  and name N   )
       ( resid   7  and name HN  )  -6.629   0.500
                                  
assign ( resid   8  and name N   )
       ( resid   8  and name HN  )  -8.820   0.500
                                  
assign ( resid  10  and name N   )
       ( resid  10  and name HN  )  -1.897   0.500
                                  
assign ( resid  11  and name N   )
       ( resid  11  and name HN  )   2.039   0.500
                                  
assign ( resid  12  and name N   )
       ( resid  12  and name HN  )  -2.362   0.500
                                  
assign ( resid  13  and name N   )
       ( resid  13  and name HN  )  -0.040   0.500
                                  
assign ( resid  14  and name N   )
       ( resid  14  and name HN  )  -3.281   0.500
                                  
assign ( resid  15  and name N   )
       ( resid  15  and name HN  )  -1.232   0.500
                                  
assign ( resid  16  and name N   )
       ( resid  16  and name HN  )  -6.649   0.500
                                  
assign ( resid  17  and name N   )
       ( resid  17  and name HN  )  -4.347   0.500
                                  
assign ( resid  19  and name N   )
       ( resid  19  and name HN  )  -6.958   0.500
                                  
assign ( resid  20  and name N   )
       ( resid  20  and name HN  )  -1.261   0.500
                                  
assign ( resid  23  and name N   )
       ( resid  23  and name HN  )  -6.965   0.500
                                  
assign ( resid  24  and name N   )
       ( resid  24  and name HN  )  -4.716   0.500
                                  
assign ( resid  25  and name N   )
       ( resid  25  and name HN  )  -5.925   0.500
                                  
assign ( resid  26  and name N   )
       ( resid  26  and name HN  )  -7.188   0.500
{                                  
assign ( resid  27  and name N   )
       ( resid  27  and name HN  )  -3.581   0.500
                                  
assign ( resid  28  and name N   )
       ( resid  28  and name HN  )  -4.454   0.500
                                  
assign ( resid  29  and name N   )
       ( resid  29  and name HN  )  -5.020   0.500
                                  
assign ( resid  30  and name N   )
       ( resid  30  and name HN  )  -3.255   0.500
                                  
assign ( resid  31  and name N   )
       ( resid  31  and name HN  )  -0.915   0.500
}

assign ( resid   7  and name C   )
       ( resid   8  and name N   )
       ( resid   8  and name CA  )
       ( resid   8  and name C   )   2.0 -93.83   12.05     2
assign ( resid   8  and name N   )
       ( resid   8  and name CA  )
       ( resid   8  and name C   )
       ( resid   9  and name N   )   3.0  141.02   19.00     2
assign ( resid   9  and name N   )
       ( resid   9  and name CA  )
       ( resid   9  and name C   )
       ( resid   10  and name N   )   3.0  155.0   15.00     2
assign ( resid   9  and name C   )
       ( resid   10  and name N   )
       ( resid   10  and name CA  )
       ( resid   10  and name C   )   3.0 -70.00   16.05     2
assign ( resid   10  and name N   )
       ( resid   10  and name CA  )
       ( resid   10  and name C   )
       ( resid   11  and name N   )   2.0  128.48   18.00     2

assign ( resid   10  and name C   )
       ( resid   11  and name N   )
       ( resid   11  and name CA  )
       ( resid   11  and name C   )   2.0 90.40   17.98     2
assign ( resid   11  and name N   )
       ( resid   11  and name CA  )
       ( resid   11  and name C   )
       ( resid   12  and name N   )   3.0 -10.40   20.25     2
assign ( resid   12  and name C   )
       ( resid   13  and name N   )
       ( resid   13  and name CA  )
       ( resid   13  and name C   )   1.0  -81.04   28.27     2
assign ( resid  18  and name C   )
       ( resid  19  and name N   )
       ( resid  19  and name CA  )
       ( resid  19  and name C   )   1.0  -58.15    16.51     2
assign ( resid   15  and name N   )
       ( resid   15  and name CA  )
       ( resid   15  and name C   )
       ( resid   16  and name N   )   2.0 -40.40   30.25     2
assign ( resid   26  and name N   )
       ( resid   26  and name CA  )
       ( resid   26  and name C   )
       ( resid   27  and name N   )   2.0 -40.40   30.25     2
assign (resid 12 and name    N)    (resid 12 and name   CA)
       (resid 12 and name   CB)    (resid 12 and name   SG)     2.0   -180.0     15.0   2
assign (resid 16 and name    N)    (resid 16 and name   CA)
       (resid 16 and name   CB)    (resid 16 and name   SG)     2.0   -60.0     15.0   2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1 -16.769  12.410   5.159
    2   2H    GLY   1          2HT       GLY   1 -16.547  12.355   6.835
    3   3H    GLY   1          3HT       GLY   1 -18.109  12.423   6.192
    4   1HA   GLY   1          1HA       GLY   1 -18.050  10.213   6.584
    5   2HA   GLY   1          2HA       GLY   1 -17.324  10.235   4.984
    6    H    SER   2           H        SER   2 -16.715   8.086   6.302
    7    HA   SER   2           HA       SER   2 -14.193   8.531   7.729
    8   1HB   SER   2          2HB       SER   2 -16.241   6.389   7.732
    9   2HB   SER   2          1HB       SER   2 -14.568   5.858   7.910
   10    HG   SER   2           HG       SER   2 -16.090   7.535   9.578
   11    H    GLN   3           H        GLN   3 -12.321   7.280   7.185
   12    HA   GLN   3           HA       GLN   3 -12.311   6.130   4.491
   13   1HB   GLN   3          2HB       GLN   3 -10.133   7.999   5.404
   14   2HB   GLN   3          1HB       GLN   3 -10.405   7.362   3.790
   15   1HG   GLN   3          2HG       GLN   3 -12.312   8.732   3.474
   16   2HG   GLN   3          1HG       GLN   3 -12.328   9.209   5.172
   17   1HE2  GLN   3          1HE2      GLN   3 -12.310  10.995   3.000
   18   2HE2  GLN   3          2HE2      GLN   3 -10.831  11.887   3.049
   19    H    ILE   4           H        ILE   4 -10.770   4.543   4.152
   20    HA   ILE   4           HA       ILE   4  -9.011   3.839   6.350
   21    HB   ILE   4           HB       ILE   4  -9.666   1.462   6.122
   22   1HG1  ILE   4          2HG1      ILE   4 -12.293   1.524   5.313
   23   2HG1  ILE   4          1HG1      ILE   4 -11.508   2.578   4.148
   24   1HG2  ILE   4          1HG2      ILE   4 -11.652   3.452   7.155
   25   2HG2  ILE   4          2HG2      ILE   4 -10.399   2.594   8.052
   26   3HG2  ILE   4          3HG2      ILE   4 -11.804   1.718   7.443
   27   1HD1  ILE   4          1HD1      ILE   4 -11.590   0.312   3.329
   28   2HD1  ILE   4          2HD1      ILE   4 -10.746  -0.261   4.767
   29   3HD1  ILE   4          3HD1      ILE   4  -9.919   0.792   3.621
   30    H    THR   5           H        THR   5 -10.032   3.302   3.020
   31    HA   THR   5           HA       THR   5  -7.834   1.747   2.226
   32    HB   THR   5           HB       THR   5  -8.772   3.043  -0.045
   33    HG1  THR   5           1HG      THR   5 -10.794   3.552   0.247
   34   1HG2  THR   5          1HG2      THR   5  -9.630   1.032  -0.668
   35   2HG2  THR   5          2HG2      THR   5 -10.263   0.680   0.940
   36   3HG2  THR   5          3HG2      THR   5  -8.537   0.515   0.616
   37    H    GLY   6           H        GLY   6  -6.059   2.308   1.005
   38   1HA   GLY   6          2HA       GLY   6  -5.381   4.823   0.076
   39   2HA   GLY   6          1HA       GLY   6  -4.785   4.751   1.710
   40    H    THR   7           H        THR   7  -2.841   5.252   0.377
   41    HA   THR   7           HA       THR   7  -1.612   2.855  -0.768
   42    HB   THR   7           HB       THR   7  -0.116   5.390  -0.819
   43    HG1  THR   7           1HG      THR   7  -2.410   5.001  -2.440
   44   1HG2  THR   7          1HG2      THR   7   0.170   4.692  -3.218
   45   2HG2  THR   7          2HG2      THR   7  -0.661   3.198  -2.783
   46   3HG2  THR   7          3HG2      THR   7   0.866   3.618  -2.001
   47    H    CYS   8           H        CYS   8   0.160   1.969  -0.046
   48    HA   CYS   8           HA       CYS   8   0.943   2.437   2.664
   49   1HB   CYS   8          2HB       CYS   8   1.571   0.353   0.601
   50   2HB   CYS   8          1HB       CYS   8   2.463   0.438   2.115
   51    HA   PRO   9           HA       PRO   9   4.801   4.636   2.669
   52   1HB   PRO   9          2HB       PRO   9   6.349   2.139   2.403
   53   2HB   PRO   9          1HB       PRO   9   6.434   3.390   3.644
   54   1HG   PRO   9          2HG       PRO   9   5.020   0.889   3.735
   55   2HG   PRO   9          1HG       PRO   9   5.150   2.118   4.997
   56   1HD   PRO   9          2HD       PRO   9   2.817   1.482   3.686
   57   2HD   PRO   9          1HD       PRO   9   3.119   3.055   4.453
   58    H    SER  10           H        SER  10   6.831   4.928   1.300
   59    HA   SER  10           HA       SER  10   6.109   5.208  -1.358
   60   1HB   SER  10          2HB       SER  10   8.895   4.882  -0.236
   61   2HB   SER  10          1HB       SER  10   8.477   5.614  -1.784
   62    HG   SER  10           HG       SER  10   8.064   7.406  -0.779
   63    H    GLY  11           H        GLY  11   5.913   3.808  -2.960
   64   1HA   GLY  11          2HA       GLY  11   6.286   1.958  -4.290
   65   2HA   GLY  11          1HA       GLY  11   7.778   1.742  -3.396
   66    H    CYS  12           H        CYS  12   4.974   1.676  -1.346
   67    HA   CYS  12           HA       CYS  12   5.501  -1.100  -0.840
   68   1HB   CYS  12          2HB       CYS  12   4.786   0.634   0.882
   69   2HB   CYS  12          1HB       CYS  12   3.192   0.514   0.177
   70    H    SER  13           H        SER  13   3.831  -2.767  -0.943
   71    HA   SER  13           HA       SER  13   2.458  -2.689  -3.449
   72   1HB   SER  13          2HB       SER  13   3.114  -4.843  -3.021
   73   2HB   SER  13          1HB       SER  13   2.768  -4.730  -1.306
   74    HG   SER  13           HG       SER  13   0.946  -5.656  -1.759
   75    H    GLY  14           H        GLY  14   0.361  -2.554  -3.862
   76   1HA   GLY  14          2HA       GLY  14  -1.258  -0.956  -2.156
   77   2HA   GLY  14          1HA       GLY  14  -1.828  -1.777  -3.598
   78    H    ASP  15           H        ASP  15  -1.428  -4.360  -2.965
   79    HA   ASP  15           HA       ASP  15  -3.673  -4.919  -1.364
   80   1HB   ASP  15          2HB       ASP  15  -2.428  -6.333  -3.245
   81   2HB   ASP  15          1HB       ASP  15  -1.653  -7.060  -1.844
   82    H    CYS  16           H        CYS  16  -0.559  -4.100  -0.462
   83    HA   CYS  16           HA       CYS  16  -0.479  -5.720   1.946
   84   1HB   CYS  16          2HB       CYS  16   1.260  -3.458   0.943
   85   2HB   CYS  16          1HB       CYS  16   1.496  -4.222   2.509
   86    H    TYR  17           H        TYR  17  -2.186  -3.062   0.910
   87    HA   TYR  17           HA       TYR  17  -2.180  -1.511   3.316
   88   1HB   TYR  17          2HB       TYR  17  -2.550  -0.786   0.844
   89   2HB   TYR  17          1HB       TYR  17  -4.188  -1.377   1.086
   90    HD1  TYR  17           1HD      TYR  17  -1.738   1.149   2.003
   91    HD2  TYR  17           2HD      TYR  17  -5.718  -0.200   2.528
   92    HE1  TYR  17           1HE      TYR  17  -2.276   3.251   3.135
   93    HE2  TYR  17           2HE      TYR  17  -6.288   1.903   3.650
   94    HH   TYR  17           HH       TYR  17  -5.251   4.395   3.563
   95    HA   PRO  18           HA       PRO  18  -3.603  -0.337   4.624
   96   1HB   PRO  18          2HB       PRO  18  -4.826  -0.588   7.109
   97   2HB   PRO  18          1HB       PRO  18  -5.511   0.209   5.708
   98   1HG   PRO  18          2HG       PRO  18  -6.404  -2.169   6.956
   99   2HG   PRO  18          1HG       PRO  18  -7.038  -1.437   5.474
  100   1HD   PRO  18          2HD       PRO  18  -5.183  -3.703   5.826
  101   2HD   PRO  18          1HD       PRO  18  -6.263  -3.332   4.476
  102    H    GLU  19           H        GLU  19  -2.663  -3.379   5.345
  103    HA   GLU  19           HA       GLU  19  -1.629  -3.162   7.948
  104   1HB   GLU  19          2HB       GLU  19  -1.980  -5.300   6.753
  105   2HB   GLU  19          1HB       GLU  19  -0.661  -4.896   5.663
  106   1HG   GLU  19          2HG       GLU  19   0.906  -5.433   7.166
  107   2HG   GLU  19          1HG       GLU  19  -0.004  -4.781   8.514
  108    H    CYS  20           H        CYS  20  -0.218  -2.576   4.767
  109    HA   CYS  20           HA       CYS  20   1.721  -1.617   4.100
  110   1HB   CYS  20          2HB       CYS  20   0.854   0.243   6.313
  111   2HB   CYS  20          1HB       CYS  20   2.070   0.650   5.109
  112    HA   PRO  21           HA       PRO  21   4.317  -2.916   7.836
  113   1HB   PRO  21          2HB       PRO  21   4.819  -5.515   7.288
  114   2HB   PRO  21          1HB       PRO  21   3.351  -5.044   8.160
  115   1HG   PRO  21          2HG       PRO  21   3.716  -5.688   5.272
  116   2HG   PRO  21          1HG       PRO  21   2.430  -6.209   6.367
  117   1HD   PRO  21          2HD       PRO  21   2.144  -4.140   4.598
  118   2HD   PRO  21          1HD       PRO  21   1.281  -4.231   6.129
  119    HA   PRO  22           HA       PRO  22   7.795  -2.127   5.241
  120   1HB   PRO  22          2HB       PRO  22   9.733  -3.617   6.676
  121   2HB   PRO  22          1HB       PRO  22   9.418  -1.893   6.765
  122   1HG   PRO  22          2HG       PRO  22   8.719  -3.977   8.657
  123   2HG   PRO  22          1HG       PRO  22   8.679  -2.226   8.856
  124   1HD   PRO  22          2HD       PRO  22   6.476  -3.919   8.611
  125   2HD   PRO  22          1HD       PRO  22   6.462  -2.152   8.491
  126    H    GLY  23           H        GLY  23   7.915  -5.407   6.481
  127   1HA   GLY  23          2HA       GLY  23   9.346  -6.618   4.497
  128   2HA   GLY  23          1HA       GLY  23   8.129  -7.452   5.452
  129    H    CYS  24           H        CYS  24   5.843  -6.254   4.628
  130    HA   CYS  24           HA       CYS  24   5.309  -7.536   2.161
  131   1HB   CYS  24          2HB       CYS  24   3.732  -6.981   4.127
  132   2HB   CYS  24          1HB       CYS  24   3.602  -5.402   3.380
  133    H    CYS  25           H        CYS  25   6.257  -4.319   3.047
  134    HA   CYS  25           HA       CYS  25   5.525  -3.050   0.602
  135   1HB   CYS  25          2HB       CYS  25   7.316  -2.295   2.904
  136   2HB   CYS  25          1HB       CYS  25   7.096  -1.256   1.508
  137    H    GLY  26           H        GLY  26   8.526  -4.347   1.913
  138   1HA   GLY  26          2HA       GLY  26  10.362  -3.540   0.041
  139   2HA   GLY  26          1HA       GLY  26  10.423  -5.101   0.842
  140    H    GLN  27           H        GLN  27   7.953  -6.088  -0.317
  141    HA   GLN  27           HA       GLN  27   8.874  -6.492  -3.089
  142   1HB   GLN  27          2HB       GLN  27   7.534  -8.356  -1.147
  143   2HB   GLN  27          1HB       GLN  27   7.510  -8.663  -2.877
  144   1HG   GLN  27          2HG       GLN  27   9.918  -8.753  -2.936
  145   2HG   GLN  27          1HG       GLN  27  10.002  -8.330  -1.227
  146   1HE2  GLN  27          1HE2      GLN  27   8.835 -10.768  -3.483
  147   2HE2  GLN  27          2HE2      GLN  27   8.943 -12.098  -2.386
  148    H    VAL  28           H        VAL  28   7.435  -6.298  -4.758
  149    HA   VAL  28           HA       VAL  28   4.612  -5.880  -4.169
  150    HB   VAL  28           HB       VAL  28   6.097  -3.899  -5.879
  151   1HG1  VAL  28          1HG1      VAL  28   4.036  -2.574  -5.594
  152   2HG1  VAL  28          2HG1      VAL  28   3.328  -3.921  -4.705
  153   3HG1  VAL  28          3HG1      VAL  28   3.760  -4.117  -6.403
  154   1HG2  VAL  28          1HG2      VAL  28   5.086  -2.779  -3.417
  155   2HG2  VAL  28          2HG2      VAL  28   6.697  -2.666  -4.122
  156   3HG2  VAL  28          3HG2      VAL  28   6.280  -4.032  -3.097
  157    H    ASN  29           H        ASN  29   3.541  -7.148  -5.511
  158    HA   ASN  29           HA       ASN  29   4.010  -7.129  -8.328
  159   1HB   ASN  29          2HB       ASN  29   5.416  -9.032  -6.843
  160   2HB   ASN  29          1HB       ASN  29   4.056  -9.912  -7.526
  161   1HD2  ASN  29          1HD2      ASN  29   6.378  -7.429  -8.550
  162   2HD2  ASN  29          2HD2      ASN  29   6.739  -8.153 -10.077
  163    H    LEU  30           H        LEU  30   1.879  -6.521  -8.569
  164    HA   LEU  30           HA       LEU  30  -0.286  -7.784  -7.253
  165   1HB   LEU  30          2HB       LEU  30  -1.711  -6.488  -8.659
  166   2HB   LEU  30          1HB       LEU  30  -0.340  -5.492  -8.210
  167    HG   LEU  30           HG       LEU  30   0.497  -6.570 -10.591
  168   1HD1  LEU  30          1HD1      LEU  30  -2.015  -5.648 -11.608
  169   2HD1  LEU  30          2HD1      LEU  30  -2.279  -7.007 -10.515
  170   3HD1  LEU  30          3HD1      LEU  30  -1.189  -7.177 -11.889
  171   1HD2  LEU  30          1HD2      LEU  30  -0.731  -4.187 -11.299
  172   2HD2  LEU  30          2HD2      LEU  30   0.913  -4.384 -10.691
  173   3HD2  LEU  30          3HD2      LEU  30  -0.401  -4.008  -9.576
  174    H    ASN  31           H        ASN  31   1.648  -8.826  -9.834
  175    HA   ASN  31           HA       ASN  31   1.555 -10.608 -11.237
  176   1HB   ASN  31          2HB       ASN  31   0.227 -11.397  -8.860
  177   2HB   ASN  31          1HB       ASN  31  -0.707 -12.043 -10.206
  178   1HD2  ASN  31          1HD2      ASN  31   0.149 -14.005  -8.975
  179   2HD2  ASN  31          2HD2      ASN  31   1.625 -14.680  -9.571
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1 -17.787   1.946  12.060
    2   2H    GLY   1          2HT       GLY   1 -18.629   3.242  12.748
    3   3H    GLY   1          3HT       GLY   1 -17.574   3.512  11.455
    4   1HA   GLY   1          1HA       GLY   1 -19.615   1.574  10.866
    5   2HA   GLY   1          2HA       GLY   1 -20.255   3.165  11.250
    6    H    SER   2           H        SER   2 -17.119   2.688   9.779
    7    HA   SER   2           HA       SER   2 -18.081   3.171   7.102
    8   1HB   SER   2          2HB       SER   2 -17.304   5.380   8.769
    9   2HB   SER   2          1HB       SER   2 -16.144   5.212   7.452
   10    HG   SER   2           HG       SER   2 -18.915   5.693   7.337
   11    H    GLN   3           H        GLN   3 -16.310   3.149   5.515
   12    HA   GLN   3           HA       GLN   3 -13.914   1.796   6.565
   13   1HB   GLN   3          2HB       GLN   3 -15.052   1.218   3.847
   14   2HB   GLN   3          1HB       GLN   3 -13.906   0.267   4.780
   15   1HG   GLN   3          2HG       GLN   3 -15.658  -1.002   5.292
   16   2HG   GLN   3          1HG       GLN   3 -16.081   0.286   6.420
   17   1HE2  GLN   3          1HE2      GLN   3 -17.999   1.209   6.205
   18   2HE2  GLN   3          2HE2      GLN   3 -19.035   1.075   4.829
   19    H    ILE   4           H        ILE   4 -11.956   2.288   5.623
   20    HA   ILE   4           HA       ILE   4 -11.907   4.282   3.504
   21    HB   ILE   4           HB       ILE   4 -10.212   5.569   4.690
   22   1HG1  ILE   4          2HG1      ILE   4 -10.236   5.142   7.290
   23   2HG1  ILE   4          1HG1      ILE   4 -10.629   3.501   6.800
   24   1HG2  ILE   4          1HG2      ILE   4 -11.688   6.672   6.285
   25   2HG2  ILE   4          2HG2      ILE   4 -12.764   5.275   6.250
   26   3HG2  ILE   4          3HG2      ILE   4 -12.543   6.254   4.800
   27   1HD1  ILE   4          1HD1      ILE   4  -8.411   3.236   6.764
   28   2HD1  ILE   4          2HD1      ILE   4  -8.107   4.968   6.635
   29   3HD1  ILE   4          3HD1      ILE   4  -8.509   4.035   5.196
   30    H    THR   5           H        THR   5  -9.940   4.344   2.317
   31    HA   THR   5           HA       THR   5  -8.080   2.130   2.854
   32    HB   THR   5           HB       THR   5  -9.643   1.448   1.078
   33    HG1  THR   5           1HG      THR   5  -7.392   1.822  -0.442
   34   1HG2  THR   5          1HG2      THR   5  -9.198   2.600  -1.199
   35   2HG2  THR   5          2HG2      THR   5  -8.751   3.988  -0.206
   36   3HG2  THR   5          3HG2      THR   5 -10.370   3.297  -0.080
   37    H    GLY   6           H        GLY   6  -6.167   2.394   1.125
   38   1HA   GLY   6          2HA       GLY   6  -5.432   4.921   0.258
   39   2HA   GLY   6          1HA       GLY   6  -4.832   4.783   1.885
   40    H    THR   7           H        THR   7  -2.910   5.294   0.494
   41    HA   THR   7           HA       THR   7  -1.729   2.908  -0.718
   42    HB   THR   7           HB       THR   7  -0.245   5.465  -0.703
   43    HG1  THR   7           1HG      THR   7  -1.509   6.401  -2.207
   44   1HG2  THR   7          1HG2      THR   7   0.034   4.763  -3.143
   45   2HG2  THR   7          2HG2      THR   7  -0.636   3.217  -2.625
   46   3HG2  THR   7          3HG2      THR   7   0.858   3.817  -1.899
   47    H    CYS   8           H        CYS   8   0.065   2.003  -0.061
   48    HA   CYS   8           HA       CYS   8   0.865   2.386   2.655
   49   1HB   CYS   8          2HB       CYS   8   1.421   0.339   0.544
   50   2HB   CYS   8          1HB       CYS   8   2.383   0.399   2.013
   51    HA   PRO   9           HA       PRO   9   4.712   4.564   2.699
   52   1HB   PRO   9          2HB       PRO   9   6.250   2.064   2.379
   53   2HB   PRO   9          1HB       PRO   9   6.349   3.294   3.639
   54   1HG   PRO   9          2HG       PRO   9   4.942   0.804   3.719
   55   2HG   PRO   9          1HG       PRO   9   5.043   2.036   4.979
   56   1HD   PRO   9          2HD       PRO   9   2.746   1.359   3.608
   57   2HD   PRO   9          1HD       PRO   9   2.996   2.910   4.436
   58    H    SER  10           H        SER  10   6.740   4.890   1.338
   59    HA   SER  10           HA       SER  10   6.015   5.212  -1.317
   60   1HB   SER  10          2HB       SER  10   8.839   4.856  -0.305
   61   2HB   SER  10          1HB       SER  10   8.326   5.726  -1.747
   62    HG   SER  10           HG       SER  10   7.316   6.523   0.746
   63    H    GLY  11           H        GLY  11   5.826   3.825  -2.943
   64   1HA   GLY  11          2HA       GLY  11   6.225   1.986  -4.284
   65   2HA   GLY  11          1HA       GLY  11   7.719   1.786  -3.389
   66    H    CYS  12           H        CYS  12   4.900   1.667  -1.352
   67    HA   CYS  12           HA       CYS  12   5.493  -1.089  -0.828
   68   1HB   CYS  12          2HB       CYS  12   4.684   0.641   0.864
   69   2HB   CYS  12          1HB       CYS  12   3.107   0.443   0.133
   70    H    SER  13           H        SER  13   3.899  -2.809  -0.926
   71    HA   SER  13           HA       SER  13   2.551  -2.865  -3.444
   72   1HB   SER  13          2HB       SER  13   2.553  -4.827  -1.161
   73   2HB   SER  13          1HB       SER  13   1.847  -5.134  -2.742
   74    HG   SER  13           HG       SER  13   3.977  -5.951  -2.518
   75    H    GLY  14           H        GLY  14   0.638  -2.060  -3.820
   76   1HA   GLY  14          2HA       GLY  14  -1.068  -0.800  -2.069
   77   2HA   GLY  14          1HA       GLY  14  -1.623  -1.525  -3.562
   78    H    ASP  15           H        ASP  15  -1.306  -4.172  -3.035
   79    HA   ASP  15           HA       ASP  15  -3.618  -4.742  -1.535
   80   1HB   ASP  15          2HB       ASP  15  -2.456  -6.087  -3.442
   81   2HB   ASP  15          1HB       ASP  15  -1.563  -6.845  -2.133
   82    H    CYS  16           H        CYS  16  -0.561  -4.036  -0.487
   83    HA   CYS  16           HA       CYS  16  -0.588  -5.761   1.854
   84   1HB   CYS  16          2HB       CYS  16   1.299  -3.570   0.975
   85   2HB   CYS  16          1HB       CYS  16   1.429  -4.360   2.538
   86    H    TYR  17           H        TYR  17  -2.282  -3.095   0.916
   87    HA   TYR  17           HA       TYR  17  -2.210  -1.560   3.336
   88   1HB   TYR  17          2HB       TYR  17  -2.686  -0.813   0.887
   89   2HB   TYR  17          1HB       TYR  17  -4.302  -1.440   1.177
   90    HD1  TYR  17           1HD      TYR  17  -1.864   1.117   2.071
   91    HD2  TYR  17           2HD      TYR  17  -5.828  -0.271   2.641
   92    HE1  TYR  17           1HE      TYR  17  -2.404   3.205   3.207
   93    HE2  TYR  17           2HE      TYR  17  -6.404   1.833   3.783
   94    HH   TYR  17           HH       TYR  17  -3.957   4.261   4.516
   95    HA   PRO  18           HA       PRO  18  -3.618  -0.413   4.686
   96   1HB   PRO  18          2HB       PRO  18  -4.779  -0.675   7.194
   97   2HB   PRO  18          1HB       PRO  18  -5.520   0.091   5.804
   98   1HG   PRO  18          2HG       PRO  18  -6.309  -2.306   7.092
   99   2HG   PRO  18          1HG       PRO  18  -7.016  -1.591   5.636
  100   1HD   PRO  18          2HD       PRO  18  -5.097  -3.809   5.918
  101   2HD   PRO  18          1HD       PRO  18  -6.223  -3.458   4.602
  102    H    GLU  19           H        GLU  19  -2.585  -3.430   5.378
  103    HA   GLU  19           HA       GLU  19  -1.522  -3.199   7.970
  104   1HB   GLU  19          2HB       GLU  19  -1.819  -5.335   6.737
  105   2HB   GLU  19          1HB       GLU  19  -0.491  -4.883   5.679
  106   1HG   GLU  19          2HG       GLU  19   1.059  -4.968   7.486
  107   2HG   GLU  19          1HG       GLU  19  -0.234  -5.141   8.657
  108    H    CYS  20           H        CYS  20  -0.179  -2.554   4.779
  109    HA   CYS  20           HA       CYS  20   1.722  -1.536   4.088
  110   1HB   CYS  20          2HB       CYS  20   0.778   0.279   6.301
  111   2HB   CYS  20          1HB       CYS  20   1.995   0.742   5.119
  112    HA   PRO  21           HA       PRO  21   4.459  -2.667   7.773
  113   1HB   PRO  21          2HB       PRO  21   4.931  -5.293   7.413
  114   2HB   PRO  21          1HB       PRO  21   3.465  -4.758   8.254
  115   1HG   PRO  21          2HG       PRO  21   3.814  -5.608   5.409
  116   2HG   PRO  21          1HG       PRO  21   2.535  -6.049   6.550
  117   1HD   PRO  21          2HD       PRO  21   2.255  -4.090   4.647
  118   2HD   PRO  21          1HD       PRO  21   1.377  -4.114   6.169
  119    HA   PRO  22           HA       PRO  22   7.866  -2.086   5.009
  120   1HB   PRO  22          2HB       PRO  22   9.810  -3.527   6.494
  121   2HB   PRO  22          1HB       PRO  22   9.556  -1.790   6.450
  122   1HG   PRO  22          2HG       PRO  22   8.857  -3.682   8.529
  123   2HG   PRO  22          1HG       PRO  22   8.871  -1.921   8.580
  124   1HD   PRO  22          2HD       PRO  22   6.619  -3.561   8.556
  125   2HD   PRO  22          1HD       PRO  22   6.642  -1.811   8.267
  126    H    GLY  23           H        GLY  23   7.915  -5.253   6.491
  127   1HA   GLY  23          2HA       GLY  23   9.270  -6.700   4.630
  128   2HA   GLY  23          1HA       GLY  23   7.983  -7.383   5.614
  129    H    CYS  24           H        CYS  24   5.767  -6.271   4.700
  130    HA   CYS  24           HA       CYS  24   5.261  -7.611   2.260
  131   1HB   CYS  24          2HB       CYS  24   3.683  -6.992   4.218
  132   2HB   CYS  24          1HB       CYS  24   3.544  -5.449   3.407
  133    H    CYS  25           H        CYS  25   6.235  -4.388   3.079
  134    HA   CYS  25           HA       CYS  25   5.497  -3.147   0.620
  135   1HB   CYS  25          2HB       CYS  25   7.287  -2.371   2.910
  136   2HB   CYS  25          1HB       CYS  25   7.111  -1.360   1.489
  137    H    GLY  26           H        GLY  26   8.492  -4.481   1.909
  138   1HA   GLY  26          2HA       GLY  26  10.402  -3.694   0.166
  139   2HA   GLY  26          1HA       GLY  26  10.332  -5.331   0.794
  140    H    GLN  27           H        GLN  27   8.800  -6.809  -0.442
  141    HA   GLN  27           HA       GLN  27   8.432  -7.975  -2.384
  142   1HB   GLN  27          2HB       GLN  27   7.314  -5.340  -2.600
  143   2HB   GLN  27          1HB       GLN  27   7.764  -5.941  -4.192
  144   1HG   GLN  27          2HG       GLN  27   6.343  -7.843  -2.463
  145   2HG   GLN  27          1HG       GLN  27   5.420  -6.440  -2.983
  146   1HE2  GLN  27          1HE2      GLN  27   5.726  -5.944  -5.398
  147   2HE2  GLN  27          2HE2      GLN  27   5.596  -7.303  -6.457
  148    H    VAL  28           H        VAL  28   9.962  -8.900  -3.528
  149    HA   VAL  28           HA       VAL  28  11.670  -9.277  -4.975
  150    HB   VAL  28           HB       VAL  28  10.838  -6.557  -5.917
  151   1HG1  VAL  28          1HG1      VAL  28  12.623  -8.421  -7.457
  152   2HG1  VAL  28          2HG1      VAL  28  13.249  -7.099  -6.472
  153   3HG1  VAL  28          3HG1      VAL  28  12.199  -6.755  -7.843
  154   1HG2  VAL  28          1HG2      VAL  28  10.086  -8.054  -7.907
  155   2HG2  VAL  28          2HG2      VAL  28   9.099  -7.962  -6.450
  156   3HG2  VAL  28          3HG2      VAL  28  10.162  -9.346  -6.710
  157    H    ASN  29           H        ASN  29  13.789  -9.247  -4.707
  158    HA   ASN  29           HA       ASN  29  15.188  -6.864  -3.869
  159   1HB   ASN  29          2HB       ASN  29  14.304  -8.576  -1.905
  160   2HB   ASN  29          1HB       ASN  29  15.947  -9.141  -2.189
  161   1HD2  ASN  29          1HD2      ASN  29  15.562  -8.222   0.209
  162   2HD2  ASN  29          2HD2      ASN  29  16.207  -6.635   0.427
  163    H    LEU  30           H        LEU  30  17.173  -6.770  -4.760
  164    HA   LEU  30           HA       LEU  30  18.186  -9.223  -6.028
  165   1HB   LEU  30          2HB       LEU  30  18.129  -6.383  -6.845
  166   2HB   LEU  30          1HB       LEU  30  19.596  -7.261  -7.236
  167    HG   LEU  30           HG       LEU  30  18.108  -7.324  -9.126
  168   1HD1  LEU  30          1HD1      LEU  30  18.124  -9.999  -7.733
  169   2HD1  LEU  30          2HD1      LEU  30  19.444  -9.328  -8.689
  170   3HD1  LEU  30          3HD1      LEU  30  17.909  -9.724  -9.460
  171   1HD2  LEU  30          1HD2      LEU  30  15.892  -7.557  -9.006
  172   2HD2  LEU  30          2HD2      LEU  30  16.082  -7.316  -7.270
  173   3HD2  LEU  30          3HD2      LEU  30  16.007  -8.949  -7.930
  174    H    ASN  31           H        ASN  31  18.979  -9.588  -3.725
  175    HA   ASN  31           HA       ASN  31  21.776  -8.839  -3.650
  176   1HB   ASN  31          2HB       ASN  31  21.646  -8.106  -1.264
  177   2HB   ASN  31          1HB       ASN  31  20.848  -7.008  -2.385
  178   1HD2  ASN  31          1HD2      ASN  31  19.918  -6.393  -0.210
  179   2HD2  ASN  31          2HD2      ASN  31  18.450  -7.180   0.250
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  -8.051   6.782  14.791
    2   2H    GLY   1          2HT       GLY   1  -9.461   7.568  15.294
    3   3H    GLY   1          3HT       GLY   1  -8.561   8.192  14.006
    4   1HA   GLY   1          1HA       GLY   1 -10.330   5.843  14.077
    5   2HA   GLY   1          2HA       GLY   1 -10.284   7.155  12.908
    6    H    SER   2           H        SER   2 -10.207   4.226  12.521
    7    HA   SER   2           HA       SER   2  -7.526   3.836  11.414
    8   1HB   SER   2          2HB       SER   2  -9.504   1.667  11.114
    9   2HB   SER   2          1HB       SER   2  -7.839   1.604  11.688
   10    HG   SER   2           HG       SER   2  -8.497   2.125  13.701
   11    H    GLN   3           H        GLN   3  -7.242   3.112   9.227
   12    HA   GLN   3           HA       GLN   3  -9.457   3.875   7.439
   13   1HB   GLN   3          2HB       GLN   3  -6.544   4.273   6.786
   14   2HB   GLN   3          1HB       GLN   3  -7.937   4.912   5.930
   15   1HG   GLN   3          2HG       GLN   3  -7.871   6.753   7.141
   16   2HG   GLN   3          1HG       GLN   3  -8.063   5.814   8.619
   17   1HE2  GLN   3          1HE2      GLN   3  -5.872   7.466   6.535
   18   2HE2  GLN   3          2HE2      GLN   3  -4.489   7.386   7.565
   19    H    ILE   4           H        ILE   4  -9.694   2.697   5.533
   20    HA   ILE   4           HA       ILE   4  -8.232   0.158   5.470
   21    HB   ILE   4           HB       ILE   4 -10.146  -0.846   4.425
   22   1HG1  ILE   4          2HG1      ILE   4 -12.333   0.706   4.686
   23   2HG1  ILE   4          1HG1      ILE   4 -11.143   1.927   4.268
   24   1HG2  ILE   4          1HG2      ILE   4 -10.356  -1.230   6.650
   25   2HG2  ILE   4          2HG2      ILE   4 -11.846  -0.325   6.381
   26   3HG2  ILE   4          3HG2      ILE   4 -10.428   0.487   7.047
   27   1HD1  ILE   4          1HD1      ILE   4 -10.529   0.517   2.297
   28   2HD1  ILE   4          2HD1      ILE   4 -12.150   1.213   2.264
   29   3HD1  ILE   4          3HD1      ILE   4 -11.928  -0.485   2.679
   30    H    THR   5           H        THR   5  -9.651   2.698   3.449
   31    HA   THR   5           HA       THR   5  -8.366   1.617   1.085
   32    HB   THR   5           HB       THR   5  -9.534   3.928   0.290
   33    HG1  THR   5           1HG      THR   5 -10.424   4.464   2.235
   34   1HG2  THR   5          1HG2      THR   5  -9.969   1.321  -0.209
   35   2HG2  THR   5          2HG2      THR   5 -10.967   2.633  -0.839
   36   3HG2  THR   5          3HG2      THR   5 -11.467   1.758   0.608
   37    H    GLY   6           H        GLY   6  -6.294   2.194   0.693
   38   1HA   GLY   6          2HA       GLY   6  -5.480   4.817   0.321
   39   2HA   GLY   6          1HA       GLY   6  -5.009   4.401   1.944
   40    H    THR   7           H        THR   7  -3.026   5.151   0.496
   41    HA   THR   7           HA       THR   7  -1.781   2.805  -0.738
   42    HB   THR   7           HB       THR   7  -0.340   5.379  -0.716
   43    HG1  THR   7           1HG      THR   7  -2.871   5.150  -1.705
   44   1HG2  THR   7          1HG2      THR   7  -0.703   3.131  -2.642
   45   2HG2  THR   7          2HG2      THR   7   0.782   3.756  -1.918
   46   3HG2  THR   7          3HG2      THR   7  -0.057   4.688  -3.162
   47    H    CYS   8           H        CYS   8   0.023   1.925  -0.074
   48    HA   CYS   8           HA       CYS   8   0.822   2.330   2.644
   49   1HB   CYS   8          2HB       CYS   8   1.414   0.287   0.539
   50   2HB   CYS   8          1HB       CYS   8   2.387   0.379   2.001
   51    HA   PRO   9           HA       PRO   9   4.655   4.540   2.714
   52   1HB   PRO   9          2HB       PRO   9   6.139   1.992   2.379
   53   2HB   PRO   9          1HB       PRO   9   6.336   3.260   3.590
   54   1HG   PRO   9          2HG       PRO   9   4.915   0.825   3.883
   55   2HG   PRO   9          1HG       PRO   9   4.971   2.175   5.021
   56   1HD   PRO   9          2HD       PRO   9   2.719   1.319   3.606
   57   2HD   PRO   9          1HD       PRO   9   2.883   2.883   4.426
   58    H    SER  10           H        SER  10   6.687   4.880   1.352
   59    HA   SER  10           HA       SER  10   5.972   5.214  -1.305
   60   1HB   SER  10          2HB       SER  10   8.805   4.838  -0.347
   61   2HB   SER  10          1HB       SER  10   8.236   5.825  -1.691
   62    HG   SER  10           HG       SER  10   7.001   6.947   0.112
   63    H    GLY  11           H        GLY  11   5.786   3.839  -2.933
   64   1HA   GLY  11          2HA       GLY  11   6.188   2.015  -4.293
   65   2HA   GLY  11          1HA       GLY  11   7.681   1.807  -3.400
   66    H    CYS  12           H        CYS  12   4.860   1.659  -1.361
   67    HA   CYS  12           HA       CYS  12   5.465  -1.102  -0.867
   68   1HB   CYS  12          2HB       CYS  12   4.661   0.616   0.842
   69   2HB   CYS  12          1HB       CYS  12   3.082   0.416   0.121
   70    H    SER  13           H        SER  13   3.860  -2.822  -0.962
   71    HA   SER  13           HA       SER  13   2.500  -2.865  -3.474
   72   1HB   SER  13          2HB       SER  13   2.539  -4.841  -1.202
   73   2HB   SER  13          1HB       SER  13   1.803  -5.143  -2.771
   74    HG   SER  13           HG       SER  13   4.526  -4.521  -2.295
   75    H    GLY  14           H        GLY  14   0.572  -2.087  -3.840
   76   1HA   GLY  14          2HA       GLY  14  -1.114  -0.805  -2.088
   77   2HA   GLY  14          1HA       GLY  14  -1.686  -1.559  -3.561
   78    H    ASP  15           H        ASP  15  -1.358  -4.190  -3.004
   79    HA   ASP  15           HA       ASP  15  -3.639  -4.736  -1.437
   80   1HB   ASP  15          2HB       ASP  15  -2.378  -6.146  -3.346
   81   2HB   ASP  15          1HB       ASP  15  -1.726  -6.957  -1.928
   82    H    CYS  16           H        CYS  16  -0.544  -4.025  -0.477
   83    HA   CYS  16           HA       CYS  16  -0.541  -5.728   1.885
   84   1HB   CYS  16          2HB       CYS  16   1.354  -3.564   0.954
   85   2HB   CYS  16          1HB       CYS  16   1.496  -4.336   2.525
   86    H    TYR  17           H        TYR  17  -2.148  -3.021   0.895
   87    HA   TYR  17           HA       TYR  17  -2.102  -1.490   3.313
   88   1HB   TYR  17          2HB       TYR  17  -2.465  -0.706   0.868
   89   2HB   TYR  17          1HB       TYR  17  -4.103  -1.312   1.071
   90    HD1  TYR  17           1HD      TYR  17  -1.677   1.193   2.119
   91    HD2  TYR  17           2HD      TYR  17  -5.674  -0.153   2.475
   92    HE1  TYR  17           1HE      TYR  17  -2.247   3.275   3.264
   93    HE2  TYR  17           2HE      TYR  17  -6.285   1.942   3.619
   94    HH   TYR  17           HH       TYR  17  -4.471   3.830   5.093
   95    HA   PRO  18           HA       PRO  18  -3.511  -0.301   4.608
   96   1HB   PRO  18          2HB       PRO  18  -4.741  -0.524   7.084
   97   2HB   PRO  18          1HB       PRO  18  -5.420   0.261   5.672
   98   1HG   PRO  18          2HG       PRO  18  -6.317  -2.111   6.944
   99   2HG   PRO  18          1HG       PRO  18  -6.963  -1.371   5.472
  100   1HD   PRO  18          2HD       PRO  18  -5.130  -3.654   5.794
  101   2HD   PRO  18          1HD       PRO  18  -6.206  -3.257   4.448
  102    H    GLU  19           H        GLU  19  -2.603  -3.357   5.343
  103    HA   GLU  19           HA       GLU  19  -1.563  -3.140   7.945
  104   1HB   GLU  19          2HB       GLU  19  -1.969  -5.243   6.618
  105   2HB   GLU  19          1HB       GLU  19  -0.520  -4.874   5.705
  106   1HG   GLU  19          2HG       GLU  19   0.807  -5.024   7.740
  107   2HG   GLU  19          1HG       GLU  19  -0.655  -5.329   8.672
  108    H    CYS  20           H        CYS  20  -0.159  -2.594   4.753
  109    HA   CYS  20           HA       CYS  20   1.779  -1.641   4.073
  110   1HB   CYS  20          2HB       CYS  20   0.917   0.219   6.286
  111   2HB   CYS  20          1HB       CYS  20   2.096   0.636   5.053
  112    HA   PRO  21           HA       PRO  21   4.385  -2.849   7.849
  113   1HB   PRO  21          2HB       PRO  21   4.916  -5.458   7.368
  114   2HB   PRO  21          1HB       PRO  21   3.448  -4.980   8.236
  115   1HG   PRO  21          2HG       PRO  21   3.801  -5.675   5.354
  116   2HG   PRO  21          1HG       PRO  21   2.546  -6.218   6.477
  117   1HD   PRO  21          2HD       PRO  21   2.144  -4.200   4.694
  118   2HD   PRO  21          1HD       PRO  21   1.355  -4.260   6.270
  119    HA   PRO  22           HA       PRO  22   7.856  -2.080   5.232
  120   1HB   PRO  22          2HB       PRO  22   9.792  -3.585   6.673
  121   2HB   PRO  22          1HB       PRO  22   9.508  -1.854   6.734
  122   1HG   PRO  22          2HG       PRO  22   8.794  -3.891   8.668
  123   2HG   PRO  22          1HG       PRO  22   8.772  -2.136   8.833
  124   1HD   PRO  22          2HD       PRO  22   6.550  -3.810   8.641
  125   2HD   PRO  22          1HD       PRO  22   6.549  -2.046   8.474
  126    H    GLY  23           H        GLY  23   7.942  -5.341   6.508
  127   1HA   GLY  23          2HA       GLY  23   9.345  -6.610   4.536
  128   2HA   GLY  23          1HA       GLY  23   8.137  -7.409   5.528
  129    H    CYS  24           H        CYS  24   5.827  -6.250   4.686
  130    HA   CYS  24           HA       CYS  24   5.297  -7.595   2.253
  131   1HB   CYS  24          2HB       CYS  24   3.726  -6.984   4.217
  132   2HB   CYS  24          1HB       CYS  24   3.577  -5.437   3.411
  133    H    CYS  25           H        CYS  25   6.231  -4.345   3.057
  134    HA   CYS  25           HA       CYS  25   5.491  -3.136   0.580
  135   1HB   CYS  25          2HB       CYS  25   7.296  -2.322   2.852
  136   2HB   CYS  25          1HB       CYS  25   7.067  -1.320   1.431
  137    H    GLY  26           H        GLY  26   8.484  -4.409   1.921
  138   1HA   GLY  26          2HA       GLY  26  10.408  -3.658   0.183
  139   2HA   GLY  26          1HA       GLY  26  10.336  -5.279   0.849
  140    H    GLN  27           H        GLN  27   7.803  -5.864  -0.580
  141    HA   GLN  27           HA       GLN  27   7.183  -6.932  -2.511
  142   1HB   GLN  27          2HB       GLN  27   8.093  -4.289  -3.131
  143   2HB   GLN  27          1HB       GLN  27   8.420  -5.362  -4.490
  144   1HG   GLN  27          2HG       GLN  27   5.764  -5.513  -3.206
  145   2HG   GLN  27          1HG       GLN  27   6.112  -4.096  -4.197
  146   1HE2  GLN  27          1HE2      GLN  27   4.183  -6.211  -4.654
  147   2HE2  GLN  27          2HE2      GLN  27   4.595  -6.935  -6.168
  148    H    VAL  28           H        VAL  28   7.899  -8.198  -4.356
  149    HA   VAL  28           HA       VAL  28  10.769  -8.672  -4.543
  150    HB   VAL  28           HB       VAL  28   8.881 -10.986  -4.143
  151   1HG1  VAL  28          1HG1      VAL  28  11.137 -12.097  -3.626
  152   2HG1  VAL  28          2HG1      VAL  28  11.848 -10.682  -4.399
  153   3HG1  VAL  28          3HG1      VAL  28  10.755 -11.726  -5.308
  154   1HG2  VAL  28          1HG2      VAL  28   9.594  -9.251  -2.121
  155   2HG2  VAL  28          2HG2      VAL  28  10.793 -10.531  -1.993
  156   3HG2  VAL  28          3HG2      VAL  28   9.076 -10.921  -1.916
  157    H    ASN  29           H        ASN  29  11.281  -8.693  -6.594
  158    HA   ASN  29           HA       ASN  29   9.504  -8.644  -8.739
  159   1HB   ASN  29          2HB       ASN  29  11.899  -7.876  -8.773
  160   2HB   ASN  29          1HB       ASN  29  12.384  -9.567  -8.852
  161   1HD2  ASN  29          1HD2      ASN  29  12.598 -10.453 -10.788
  162   2HD2  ASN  29          2HD2      ASN  29  12.001  -9.794 -12.269
  163    H    LEU  30           H        LEU  30   8.026 -10.327  -8.754
  164    HA   LEU  30           HA       LEU  30   9.061 -13.064  -8.841
  165   1HB   LEU  30          2HB       LEU  30   6.751 -11.894  -7.746
  166   2HB   LEU  30          1HB       LEU  30   6.194 -12.878  -9.086
  167    HG   LEU  30           HG       LEU  30   7.274 -14.847  -8.121
  168   1HD1  LEU  30          1HD1      LEU  30   7.839 -13.529  -5.549
  169   2HD1  LEU  30          2HD1      LEU  30   8.945 -13.144  -6.867
  170   3HD1  LEU  30          3HD1      LEU  30   8.704 -14.822  -6.380
  171   1HD2  LEU  30          1HD2      LEU  30   4.969 -14.316  -7.492
  172   2HD2  LEU  30          2HD2      LEU  30   5.560 -13.367  -6.129
  173   3HD2  LEU  30          3HD2      LEU  30   5.832 -15.109  -6.175
  174    H    ASN  31           H        ASN  31   6.335 -11.540 -10.553
  175    HA   ASN  31           HA       ASN  31   7.309 -12.806 -13.030
  176   1HB   ASN  31          2HB       ASN  31   4.749 -12.840 -11.771
  177   2HB   ASN  31          1HB       ASN  31   4.591 -11.969 -13.292
  178   1HD2  ASN  31          1HD2      ASN  31   3.181 -14.021 -13.461
  179   2HD2  ASN  31          2HD2      ASN  31   3.931 -15.365 -14.246
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1 -17.980   5.340   4.126
    2   2H    GLY   1          2HT       GLY   1 -19.259   4.365   4.650
    3   3H    GLY   1          3HT       GLY   1 -17.666   3.948   5.035
    4   1HA   GLY   1          1HA       GLY   1 -19.408   5.962   6.229
    5   2HA   GLY   1          2HA       GLY   1 -18.255   4.885   7.001
    6    H    SER   2           H        SER   2 -15.919   5.363   6.534
    7    HA   SER   2           HA       SER   2 -15.424   8.207   6.020
    8   1HB   SER   2          2HB       SER   2 -15.589   8.015   8.445
    9   2HB   SER   2          1HB       SER   2 -14.426   6.690   8.444
   10    HG   SER   2           HG       SER   2 -13.594   9.040   7.228
   11    H    GLN   3           H        GLN   3 -13.381   8.688   5.200
   12    HA   GLN   3           HA       GLN   3 -11.482   6.503   4.808
   13   1HB   GLN   3          2HB       GLN   3 -12.344   8.188   2.463
   14   2HB   GLN   3          1HB       GLN   3 -11.355   6.738   2.446
   15   1HG   GLN   3          2HG       GLN   3 -13.212   5.675   1.866
   16   2HG   GLN   3          1HG       GLN   3 -13.687   5.836   3.553
   17   1HE2  GLN   3          1HE2      GLN   3 -15.181   5.808   0.937
   18   2HE2  GLN   3          2HE2      GLN   3 -16.194   7.207   1.010
   19    H    ILE   4           H        ILE   4  -9.340   7.202   4.414
   20    HA   ILE   4           HA       ILE   4  -8.905  10.087   4.623
   21    HB   ILE   4           HB       ILE   4  -6.905   9.622   5.990
   22   1HG1  ILE   4          2HG1      ILE   4  -7.491   7.160   7.172
   23   2HG1  ILE   4          1HG1      ILE   4  -7.602   6.869   5.445
   24   1HG2  ILE   4          1HG2      ILE   4  -8.135   9.160   8.088
   25   2HG2  ILE   4          2HG2      ILE   4  -9.543   8.731   7.116
   26   3HG2  ILE   4          3HG2      ILE   4  -8.905  10.376   7.067
   27   1HD1  ILE   4          1HD1      ILE   4  -5.258   8.035   6.894
   28   2HD1  ILE   4          2HD1      ILE   4  -5.383   7.816   5.151
   29   3HD1  ILE   4          3HD1      ILE   4  -5.384   6.413   6.215
   30    H    THR   5           H        THR   5  -7.517   6.976   3.615
   31    HA   THR   5           HA       THR   5  -6.605   7.973   1.154
   32    HB   THR   5           HB       THR   5  -4.948   9.007   2.774
   33    HG1  THR   5           1HG      THR   5  -3.825   9.071   1.020
   34   1HG2  THR   5          1HG2      THR   5  -3.447   6.456   2.786
   35   2HG2  THR   5          2HG2      THR   5  -4.690   6.687   3.998
   36   3HG2  THR   5          3HG2      THR   5  -3.358   7.825   3.878
   37    H    GLY   6           H        GLY   6  -4.770   6.308   0.310
   38   1HA   GLY   6          2HA       GLY   6  -5.120   3.653   1.370
   39   2HA   GLY   6          1HA       GLY   6  -5.991   3.881  -0.099
   40    H    THR   7           H        THR   7  -2.873   4.788   1.087
   41    HA   THR   7           HA       THR   7  -1.548   3.083  -0.866
   42    HB   THR   7           HB       THR   7  -0.256   5.702  -0.497
   43    HG1  THR   7           1HG      THR   7  -2.718   5.671  -1.412
   44   1HG2  THR   7          1HG2      THR   7   0.953   4.129  -1.773
   45   2HG2  THR   7          2HG2      THR   7   0.328   5.346  -2.892
   46   3HG2  THR   7          3HG2      THR   7  -0.460   3.774  -2.775
   47    H    CYS   8           H        CYS   8   0.115   2.099  -0.099
   48    HA   CYS   8           HA       CYS   8   0.866   2.422   2.644
   49   1HB   CYS   8          2HB       CYS   8   1.456   0.411   0.506
   50   2HB   CYS   8          1HB       CYS   8   2.405   0.455   1.984
   51    HA   PRO   9           HA       PRO   9   4.742   4.570   2.792
   52   1HB   PRO   9          2HB       PRO   9   6.188   2.005   2.435
   53   2HB   PRO   9          1HB       PRO   9   6.396   3.252   3.666
   54   1HG   PRO   9          2HG       PRO   9   4.945   0.838   3.919
   55   2HG   PRO   9          1HG       PRO   9   4.993   2.181   5.068
   56   1HD   PRO   9          2HD       PRO   9   2.764   1.341   3.596
   57   2HD   PRO   9          1HD       PRO   9   2.913   2.885   4.458
   58    H    SER  10           H        SER  10   6.795   4.895   1.458
   59    HA   SER  10           HA       SER  10   6.119   5.246  -1.211
   60   1HB   SER  10          2HB       SER  10   8.953   4.814  -0.307
   61   2HB   SER  10          1HB       SER  10   8.351   5.898  -1.559
   62    HG   SER  10           HG       SER  10   7.264   7.024   0.232
   63    H    GLY  11           H        GLY  11   5.968   3.890  -2.854
   64   1HA   GLY  11          2HA       GLY  11   6.341   2.053  -4.206
   65   2HA   GLY  11          1HA       GLY  11   7.814   1.812  -3.285
   66    H    CYS  12           H        CYS  12   4.951   1.712  -1.293
   67    HA   CYS  12           HA       CYS  12   5.517  -1.051  -0.778
   68   1HB   CYS  12          2HB       CYS  12   4.693   0.687   0.892
   69   2HB   CYS  12          1HB       CYS  12   3.127   0.495   0.139
   70    H    SER  13           H        SER  13   3.859  -2.749  -0.830
   71    HA   SER  13           HA       SER  13   2.542  -2.819  -3.370
   72   1HB   SER  13          2HB       SER  13   3.158  -4.948  -2.881
   73   2HB   SER  13          1HB       SER  13   2.931  -4.750  -1.152
   74    HG   SER  13           HG       SER  13   0.812  -5.174  -1.372
   75    H    GLY  14           H        GLY  14   0.482  -2.588  -3.824
   76   1HA   GLY  14          2HA       GLY  14  -1.145  -0.989  -2.140
   77   2HA   GLY  14          1HA       GLY  14  -1.696  -1.784  -3.602
   78    H    ASP  15           H        ASP  15  -1.455  -4.380  -3.014
   79    HA   ASP  15           HA       ASP  15  -3.733  -4.812  -1.433
   80   1HB   ASP  15          2HB       ASP  15  -2.475  -6.328  -3.279
   81   2HB   ASP  15          1HB       ASP  15  -1.902  -7.118  -1.817
   82    H    CYS  16           H        CYS  16  -0.546  -4.215  -0.473
   83    HA   CYS  16           HA       CYS  16  -0.674  -5.836   1.926
   84   1HB   CYS  16          2HB       CYS  16   1.273  -3.711   1.001
   85   2HB   CYS  16          1HB       CYS  16   1.396  -4.504   2.565
   86    H    TYR  17           H        TYR  17  -2.265  -3.151   0.905
   87    HA   TYR  17           HA       TYR  17  -2.160  -1.550   3.275
   88   1HB   TYR  17          2HB       TYR  17  -2.573  -0.817   0.830
   89   2HB   TYR  17          1HB       TYR  17  -4.206  -1.425   1.071
   90    HD1  TYR  17           1HD      TYR  17  -1.768   1.099   2.037
   91    HD2  TYR  17           2HD      TYR  17  -5.761  -0.255   2.490
   92    HE1  TYR  17           1HE      TYR  17  -2.318   3.183   3.183
   93    HE2  TYR  17           2HE      TYR  17  -6.354   1.848   3.632
   94    HH   TYR  17           HH       TYR  17  -4.523   4.570   3.520
   95    HA   PRO  18           HA       PRO  18  -3.528  -0.313   4.579
   96   1HB   PRO  18          2HB       PRO  18  -4.712  -0.443   7.079
   97   2HB   PRO  18          1HB       PRO  18  -5.418   0.296   5.656
   98   1HG   PRO  18          2HG       PRO  18  -6.290  -2.031   7.030
   99   2HG   PRO  18          1HG       PRO  18  -6.977  -1.332   5.557
  100   1HD   PRO  18          2HD       PRO  18  -5.151  -3.619   5.892
  101   2HD   PRO  18          1HD       PRO  18  -6.256  -3.246   4.561
  102    H    GLU  19           H        GLU  19  -2.625  -3.336   5.338
  103    HA   GLU  19           HA       GLU  19  -1.565  -3.115   7.930
  104   1HB   GLU  19          2HB       GLU  19  -1.938  -5.239   6.691
  105   2HB   GLU  19          1HB       GLU  19  -0.582  -4.840   5.649
  106   1HG   GLU  19          2HG       GLU  19   0.898  -5.535   7.148
  107   2HG   GLU  19          1HG       GLU  19   0.083  -4.705   8.465
  108    H    CYS  20           H        CYS  20  -0.181  -2.562   4.732
  109    HA   CYS  20           HA       CYS  20   1.737  -1.590   4.041
  110   1HB   CYS  20          2HB       CYS  20   0.857   0.276   6.242
  111   2HB   CYS  20          1HB       CYS  20   2.049   0.692   5.024
  112    HA   PRO  21           HA       PRO  21   4.389  -2.781   7.789
  113   1HB   PRO  21          2HB       PRO  21   4.899  -5.393   7.341
  114   2HB   PRO  21          1HB       PRO  21   3.420  -4.900   8.183
  115   1HG   PRO  21          2HG       PRO  21   3.818  -5.598   5.307
  116   2HG   PRO  21          1HG       PRO  21   2.552  -6.157   6.408
  117   1HD   PRO  21          2HD       PRO  21   2.158  -4.134   4.631
  118   2HD   PRO  21          1HD       PRO  21   1.353  -4.197   6.196
  119    HA   PRO  22           HA       PRO  22   7.864  -2.041   5.148
  120   1HB   PRO  22          2HB       PRO  22   9.790  -3.530   6.611
  121   2HB   PRO  22          1HB       PRO  22   9.513  -1.796   6.644
  122   1HG   PRO  22          2HG       PRO  22   8.785  -3.801   8.606
  123   2HG   PRO  22          1HG       PRO  22   8.779  -2.045   8.748
  124   1HD   PRO  22          2HD       PRO  22   6.545  -3.698   8.585
  125   2HD   PRO  22          1HD       PRO  22   6.557  -1.938   8.378
  126    H    GLY  23           H        GLY  23   7.923  -5.284   6.462
  127   1HA   GLY  23          2HA       GLY  23   9.348  -6.563   4.504
  128   2HA   GLY  23          1HA       GLY  23   8.148  -7.359   5.506
  129    H    CYS  24           H        CYS  24   5.843  -6.213   4.670
  130    HA   CYS  24           HA       CYS  24   5.296  -7.586   2.260
  131   1HB   CYS  24          2HB       CYS  24   3.751  -6.924   4.243
  132   2HB   CYS  24          1HB       CYS  24   3.551  -5.429   3.355
  133    H    CYS  25           H        CYS  25   6.230  -4.325   3.002
  134    HA   CYS  25           HA       CYS  25   5.443  -3.161   0.523
  135   1HB   CYS  25          2HB       CYS  25   7.361  -2.317   2.697
  136   2HB   CYS  25          1HB       CYS  25   7.033  -1.333   1.283
  137    H    GLY  26           H        GLY  26   8.496  -4.379   1.823
  138   1HA   GLY  26          2HA       GLY  26  10.163  -3.702  -0.315
  139   2HA   GLY  26          1HA       GLY  26  10.441  -5.036   0.792
  140    H    GLN  27           H        GLN  27   8.275  -6.646   0.218
  141    HA   GLN  27           HA       GLN  27   7.924  -8.495  -1.121
  142   1HB   GLN  27          2HB       GLN  27   6.844  -7.867  -3.257
  143   2HB   GLN  27          1HB       GLN  27   6.236  -6.971  -1.872
  144   1HG   GLN  27          2HG       GLN  27   7.314  -5.001  -2.523
  145   2HG   GLN  27          1HG       GLN  27   8.358  -5.845  -3.662
  146   1HE2  GLN  27          1HE2      GLN  27   4.861  -5.852  -3.105
  147   2HE2  GLN  27          2HE2      GLN  27   4.425  -5.448  -4.727
  148    H    VAL  28           H        VAL  28   9.905  -9.472  -1.261
  149    HA   VAL  28           HA       VAL  28  11.921 -10.129  -2.121
  150    HB   VAL  28           HB       VAL  28  10.500 -11.478  -3.414
  151   1HG1  VAL  28          1HG1      VAL  28   9.388 -10.796  -5.440
  152   2HG1  VAL  28          2HG1      VAL  28  10.121  -9.196  -5.341
  153   3HG1  VAL  28          3HG1      VAL  28   8.947  -9.705  -4.128
  154   1HG2  VAL  28          1HG2      VAL  28  11.698 -11.699  -5.562
  155   2HG2  VAL  28          2HG2      VAL  28  12.781 -11.543  -4.181
  156   3HG2  VAL  28          3HG2      VAL  28  12.501 -10.162  -5.242
  157    H    ASN  29           H        ASN  29  13.676  -9.007  -2.264
  158    HA   ASN  29           HA       ASN  29  13.881  -6.876  -4.259
  159   1HB   ASN  29          2HB       ASN  29  13.915  -6.292  -1.706
  160   2HB   ASN  29          1HB       ASN  29  15.572  -6.883  -1.787
  161   1HD2  ASN  29          1HD2      ASN  29  16.599  -4.981  -1.473
  162   2HD2  ASN  29          2HD2      ASN  29  16.527  -3.649  -2.572
  163    H    LEU  30           H        LEU  30  15.629  -6.877  -5.596
  164    HA   LEU  30           HA       LEU  30  17.052  -9.271  -5.971
  165   1HB   LEU  30          2HB       LEU  30  18.268  -8.116  -7.684
  166   2HB   LEU  30          1HB       LEU  30  16.588  -7.623  -7.749
  167    HG   LEU  30           HG       LEU  30  17.918  -5.763  -6.080
  168   1HD1  LEU  30          1HD1      LEU  30  19.614  -4.874  -7.608
  169   2HD1  LEU  30          2HD1      LEU  30  19.377  -6.263  -8.670
  170   3HD1  LEU  30          3HD1      LEU  30  20.024  -6.495  -7.045
  171   1HD2  LEU  30          1HD2      LEU  30  15.946  -5.598  -7.761
  172   2HD2  LEU  30          2HD2      LEU  30  17.211  -5.230  -8.935
  173   3HD2  LEU  30          3HD2      LEU  30  16.998  -4.203  -7.516
  174    H    ASN  31           H        ASN  31  17.658  -6.590  -3.901
  175    HA   ASN  31           HA       ASN  31  20.468  -7.334  -3.570
  176   1HB   ASN  31          2HB       ASN  31  18.938  -4.892  -3.238
  177   2HB   ASN  31          1HB       ASN  31  19.888  -5.249  -1.799
  178   1HD2  ASN  31          1HD2      ASN  31  22.190  -6.007  -2.364
  179   2HD2  ASN  31          2HD2      ASN  31  23.020  -5.042  -3.532
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1 -10.091  10.815  12.656
    2   2H    GLY   1          2HT       GLY   1  -9.983  12.491  12.860
    3   3H    GLY   1          3HT       GLY   1  -8.738  11.492  13.417
    4   1HA   GLY   1          1HA       GLY   1  -9.476  12.062  10.605
    5   2HA   GLY   1          2HA       GLY   1  -7.977  12.486  11.418
    6    H    SER   2           H        SER   2  -9.712  10.064   9.711
    7    HA   SER   2           HA       SER   2  -7.308   8.536   9.327
    8   1HB   SER   2          2HB       SER   2  -7.891   7.448  11.348
    9   2HB   SER   2          1HB       SER   2  -9.604   7.410  10.927
   10    HG   SER   2           HG       SER   2  -7.573   6.015   9.520
   11    H    GLN   3           H        GLN   3  -7.577   6.833   7.721
   12    HA   GLN   3           HA       GLN   3  -9.960   7.222   6.031
   13   1HB   GLN   3          2HB       GLN   3  -7.214   6.582   4.965
   14   2HB   GLN   3          1HB       GLN   3  -8.626   7.113   4.064
   15   1HG   GLN   3          2HG       GLN   3  -7.677   9.125   4.141
   16   2HG   GLN   3          1HG       GLN   3  -8.281   9.178   5.797
   17   1HE2  GLN   3          1HE2      GLN   3  -6.870   8.999   7.487
   18   2HE2  GLN   3          2HE2      GLN   3  -5.154   9.035   7.299
   19    H    ILE   4           H        ILE   4 -10.741   5.392   4.924
   20    HA   ILE   4           HA       ILE   4 -10.305   2.926   6.301
   21    HB   ILE   4           HB       ILE   4 -11.955   1.971   4.801
   22   1HG1  ILE   4          2HG1      ILE   4 -13.091   3.911   3.312
   23   2HG1  ILE   4          1HG1      ILE   4 -11.405   4.400   3.215
   24   1HG2  ILE   4          1HG2      ILE   4 -13.413   2.788   6.248
   25   2HG2  ILE   4          2HG2      ILE   4 -13.572   4.228   5.242
   26   3HG2  ILE   4          3HG2      ILE   4 -12.382   4.187   6.544
   27   1HD1  ILE   4          1HD1      ILE   4 -10.945   1.963   2.602
   28   2HD1  ILE   4          2HD1      ILE   4 -11.678   3.019   1.396
   29   3HD1  ILE   4          3HD1      ILE   4 -12.678   1.876   2.284
   30    H    THR   5           H        THR   5  -9.516   4.158   3.082
   31    HA   THR   5           HA       THR   5  -7.633   1.932   2.812
   32    HB   THR   5           HB       THR   5  -9.641   1.487   1.426
   33    HG1  THR   5           1HG      THR   5  -7.323   1.983  -0.107
   34   1HG2  THR   5          1HG2      THR   5  -9.715   2.764  -0.763
   35   2HG2  THR   5          2HG2      THR   5  -8.796   4.017   0.067
   36   3HG2  THR   5          3HG2      THR   5 -10.392   3.566   0.649
   37    H    GLY   6           H        GLY   6  -5.990   2.308   1.176
   38   1HA   GLY   6          2HA       GLY   6  -5.428   4.737  -0.012
   39   2HA   GLY   6          1HA       GLY   6  -4.742   4.839   1.586
   40    H    THR   7           H        THR   7  -2.839   5.246   0.269
   41    HA   THR   7           HA       THR   7  -1.619   2.824  -0.834
   42    HB   THR   7           HB       THR   7  -0.136   5.371  -0.938
   43    HG1  THR   7           1HG      THR   7  -1.489   6.367  -2.226
   44   1HG2  THR   7          1HG2      THR   7   0.092   4.557  -3.361
   45   2HG2  THR   7          2HG2      THR   7  -0.560   3.039  -2.745
   46   3HG2  THR   7          3HG2      THR   7   0.945   3.683  -2.085
   47    H    CYS   8           H        CYS   8   0.129   1.937  -0.092
   48    HA   CYS   8           HA       CYS   8   0.903   2.445   2.610
   49   1HB   CYS   8          2HB       CYS   8   1.511   0.318   0.590
   50   2HB   CYS   8          1HB       CYS   8   2.393   0.416   2.107
   51    HA   PRO   9           HA       PRO   9   4.795   4.553   2.675
   52   1HB   PRO   9          2HB       PRO   9   6.193   1.945   2.382
   53   2HB   PRO   9          1HB       PRO   9   6.454   3.237   3.556
   54   1HG   PRO   9          2HG       PRO   9   4.939   0.874   3.934
   55   2HG   PRO   9          1HG       PRO   9   5.047   2.260   5.027
   56   1HD   PRO   9          2HD       PRO   9   2.758   1.442   3.655
   57   2HD   PRO   9          1HD       PRO   9   2.992   3.034   4.403
   58    H    SER  10           H        SER  10   6.830   4.829   1.324
   59    HA   SER  10           HA       SER  10   6.142   5.145  -1.341
   60   1HB   SER  10          2HB       SER  10   8.950   4.709  -0.332
   61   2HB   SER  10          1HB       SER  10   8.441   5.661  -1.726
   62    HG   SER  10           HG       SER  10   8.050   6.238   1.019
   63    H    GLY  11           H        GLY  11   5.920   3.731  -2.945
   64   1HA   GLY  11          2HA       GLY  11   6.297   1.869  -4.262
   65   2HA   GLY  11          1HA       GLY  11   7.787   1.661  -3.363
   66    H    CYS  12           H        CYS  12   4.962   1.610  -1.331
   67    HA   CYS  12           HA       CYS  12   5.506  -1.149  -0.767
   68   1HB   CYS  12          2HB       CYS  12   4.736   0.625   0.894
   69   2HB   CYS  12          1HB       CYS  12   3.155   0.452   0.173
   70    H    SER  13           H        SER  13   3.894  -2.851  -0.895
   71    HA   SER  13           HA       SER  13   2.547  -2.847  -3.415
   72   1HB   SER  13          2HB       SER  13   2.745  -4.841  -1.181
   73   2HB   SER  13          1HB       SER  13   1.732  -5.127  -2.591
   74    HG   SER  13           HG       SER  13   3.730  -6.014  -2.990
   75    H    GLY  14           H        GLY  14   0.576  -2.212  -3.832
   76   1HA   GLY  14          2HA       GLY  14  -1.104  -0.861  -2.099
   77   2HA   GLY  14          1HA       GLY  14  -1.665  -1.626  -3.568
   78    H    ASP  15           H        ASP  15  -1.366  -4.248  -2.990
   79    HA   ASP  15           HA       ASP  15  -3.666  -4.761  -1.456
   80   1HB   ASP  15          2HB       ASP  15  -2.338  -6.205  -3.316
   81   2HB   ASP  15          1HB       ASP  15  -1.795  -7.026  -1.860
   82    H    CYS  16           H        CYS  16  -0.590  -4.054  -0.425
   83    HA   CYS  16           HA       CYS  16  -0.617  -5.745   1.938
   84   1HB   CYS  16          2HB       CYS  16   1.227  -3.501   1.086
   85   2HB   CYS  16          1HB       CYS  16   1.395  -4.368   2.605
   86    H    TYR  17           H        TYR  17  -2.326  -3.096   0.971
   87    HA   TYR  17           HA       TYR  17  -2.281  -1.535   3.372
   88   1HB   TYR  17          2HB       TYR  17  -2.745  -0.845   0.899
   89   2HB   TYR  17          1HB       TYR  17  -4.366  -1.447   1.214
   90    HD1  TYR  17           1HD      TYR  17  -5.845  -0.260   2.732
   91    HD2  TYR  17           2HD      TYR  17  -1.910   1.124   1.969
   92    HE1  TYR  17           1HE      TYR  17  -6.381   1.869   3.852
   93    HE2  TYR  17           2HE      TYR  17  -2.419   3.245   3.061
   94    HH   TYR  17           HH       TYR  17  -4.189   3.986   4.928
   95    HA   PRO  18           HA       PRO  18  -3.698  -0.377   4.711
   96   1HB   PRO  18          2HB       PRO  18  -4.828  -0.659   7.241
   97   2HB   PRO  18          1HB       PRO  18  -5.577   0.134   5.872
   98   1HG   PRO  18          2HG       PRO  18  -6.386  -2.261   7.136
   99   2HG   PRO  18          1HG       PRO  18  -7.079  -1.540   5.677
  100   1HD   PRO  18          2HD       PRO  18  -5.177  -3.772   5.970
  101   2HD   PRO  18          1HD       PRO  18  -6.304  -3.421   4.653
  102    H    GLU  19           H        GLU  19  -2.674  -3.395   5.398
  103    HA   GLU  19           HA       GLU  19  -1.581  -3.174   7.972
  104   1HB   GLU  19          2HB       GLU  19  -1.918  -5.311   6.788
  105   2HB   GLU  19          1HB       GLU  19  -0.650  -4.877   5.649
  106   1HG   GLU  19          2HG       GLU  19   1.007  -5.260   7.154
  107   2HG   GLU  19          1HG       GLU  19   0.009  -4.853   8.532
  108    H    CYS  20           H        CYS  20  -0.248  -2.544   4.763
  109    HA   CYS  20           HA       CYS  20   1.664  -1.554   4.068
  110   1HB   CYS  20          2HB       CYS  20   0.793   0.279   6.299
  111   2HB   CYS  20          1HB       CYS  20   2.011   0.709   5.106
  112    HA   PRO  21           HA       PRO  21   4.343  -2.854   7.739
  113   1HB   PRO  21          2HB       PRO  21   4.813  -5.456   7.233
  114   2HB   PRO  21          1HB       PRO  21   3.332  -4.964   8.073
  115   1HG   PRO  21          2HG       PRO  21   3.742  -5.625   5.194
  116   2HG   PRO  21          1HG       PRO  21   2.442  -6.149   6.271
  117   1HD   PRO  21          2HD       PRO  21   2.178  -4.074   4.500
  118   2HD   PRO  21          1HD       PRO  21   1.290  -4.177   6.015
  119    HA   PRO  22           HA       PRO  22   7.803  -2.120   5.085
  120   1HB   PRO  22          2HB       PRO  22   9.742  -3.567   6.564
  121   2HB   PRO  22          1HB       PRO  22   9.436  -1.840   6.589
  122   1HG   PRO  22          2HG       PRO  22   8.739  -3.840   8.565
  123   2HG   PRO  22          1HG       PRO  22   8.696  -2.084   8.691
  124   1HD   PRO  22          2HD       PRO  22   6.498  -3.798   8.518
  125   2HD   PRO  22          1HD       PRO  22   6.477  -2.033   8.337
  126    H    GLY  23           H        GLY  23   7.941  -5.356   6.438
  127   1HA   GLY  23          2HA       GLY  23   9.345  -6.659   4.508
  128   2HA   GLY  23          1HA       GLY  23   8.078  -7.437   5.450
  129    H    CYS  24           H        CYS  24   5.850  -6.247   4.593
  130    HA   CYS  24           HA       CYS  24   5.318  -7.493   2.109
  131   1HB   CYS  24          2HB       CYS  24   3.775  -6.907   4.120
  132   2HB   CYS  24          1HB       CYS  24   3.609  -5.365   3.310
  133    H    CYS  25           H        CYS  25   6.266  -4.285   3.057
  134    HA   CYS  25           HA       CYS  25   5.550  -2.965   0.633
  135   1HB   CYS  25          2HB       CYS  25   7.309  -2.261   2.969
  136   2HB   CYS  25          1HB       CYS  25   7.123  -1.196   1.588
  137    H    GLY  26           H        GLY  26   8.526  -4.334   1.905
  138   1HA   GLY  26          2HA       GLY  26  10.460  -3.474   0.229
  139   2HA   GLY  26          1HA       GLY  26  10.376  -5.139   0.776
  140    H    GLN  27           H        GLN  27   7.759  -5.442  -0.757
  141    HA   GLN  27           HA       GLN  27   8.869  -6.512  -3.125
  142   1HB   GLN  27          2HB       GLN  27   6.033  -6.000  -2.255
  143   2HB   GLN  27          1HB       GLN  27   6.418  -6.717  -3.812
  144   1HG   GLN  27          2HG       GLN  27   7.299  -7.862  -1.174
  145   2HG   GLN  27          1HG       GLN  27   5.835  -8.346  -2.027
  146   1HE2  GLN  27          1HE2      GLN  27   9.341  -8.069  -2.427
  147   2HE2  GLN  27          2HE2      GLN  27   9.503  -9.427  -3.481
  148    H    VAL  28           H        VAL  28   9.732  -5.277  -4.664
  149    HA   VAL  28           HA       VAL  28   8.069  -3.228  -5.902
  150    HB   VAL  28           HB       VAL  28  10.946  -2.618  -5.274
  151   1HG1  VAL  28          1HG1      VAL  28  10.596  -0.938  -6.671
  152   2HG1  VAL  28          2HG1      VAL  28   9.400  -0.295  -5.546
  153   3HG1  VAL  28          3HG1      VAL  28   8.897  -1.379  -6.843
  154   1HG2  VAL  28          1HG2      VAL  28   8.737  -2.574  -3.438
  155   2HG2  VAL  28          2HG2      VAL  28   9.330  -0.943  -3.711
  156   3HG2  VAL  28          3HG2      VAL  28  10.433  -2.200  -3.152
  157    H    ASN  29           H        ASN  29   8.019  -3.688  -7.983
  158    HA   ASN  29           HA       ASN  29  10.415  -4.746  -9.288
  159   1HB   ASN  29          2HB       ASN  29   8.113  -6.150  -9.012
  160   2HB   ASN  29          1HB       ASN  29   7.810  -5.340 -10.546
  161   1HD2  ASN  29          1HD2      ASN  29   9.702  -5.461 -12.105
  162   2HD2  ASN  29          2HD2      ASN  29  10.482  -6.997 -12.241
  163    H    LEU  30           H        LEU  30  11.242  -3.366 -10.738
  164    HA   LEU  30           HA       LEU  30   9.477  -1.313 -11.876
  165   1HB   LEU  30          2HB       LEU  30  11.773  -0.919 -10.608
  166   2HB   LEU  30          1HB       LEU  30  12.436  -1.224 -12.201
  167    HG   LEU  30           HG       LEU  30  10.687   0.602 -12.942
  168   1HD1  LEU  30          1HD1      LEU  30   9.930   2.062 -11.369
  169   2HD1  LEU  30          2HD1      LEU  30  11.276   1.755 -10.273
  170   3HD1  LEU  30          3HD1      LEU  30   9.958   0.592 -10.396
  171   1HD2  LEU  30          1HD2      LEU  30  12.497   1.879 -13.264
  172   2HD2  LEU  30          2HD2      LEU  30  13.392   0.550 -12.529
  173   3HD2  LEU  30          3HD2      LEU  30  12.888   1.922 -11.544
  174    H    ASN  31           H        ASN  31   9.008  -3.639 -13.077
  175    HA   ASN  31           HA       ASN  31   9.928  -3.151 -15.767
  176   1HB   ASN  31          2HB       ASN  31  11.028  -5.335 -14.145
  177   2HB   ASN  31          1HB       ASN  31  10.375  -5.862 -15.693
  178   1HD2  ASN  31          1HD2      ASN  31  12.806  -3.982 -14.096
  179   2HD2  ASN  31          2HD2      ASN  31  13.795  -3.701 -15.485
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1  -8.534  15.126  10.955
    2   2H    GLY   1          2HT       GLY   1 -10.157  14.972  10.513
    3   3H    GLY   1          3HT       GLY   1  -9.444  16.504  10.580
    4   1HA   GLY   1          1HA       GLY   1  -9.246  14.440   8.527
    5   2HA   GLY   1          2HA       GLY   1  -9.332  16.186   8.349
    6    H    SER   2           H        SER   2  -7.333  13.502   8.214
    7    HA   SER   2           HA       SER   2  -5.083  14.962   7.390
    8   1HB   SER   2          2HB       SER   2  -5.189  15.233  10.023
    9   2HB   SER   2          1HB       SER   2  -4.445  13.636   9.990
   10    HG   SER   2           HG       SER   2  -3.411  15.708   8.392
   11    H    GLN   3           H        GLN   3  -3.165  13.535   7.050
   12    HA   GLN   3           HA       GLN   3  -2.234  11.658   6.186
   13   1HB   GLN   3          2HB       GLN   3  -4.123  10.317   8.106
   14   2HB   GLN   3          1HB       GLN   3  -2.757   9.532   7.342
   15   1HG   GLN   3          2HG       GLN   3  -1.262  11.149   8.467
   16   2HG   GLN   3          1HG       GLN   3  -2.665  11.802   9.314
   17   1HE2  GLN   3          1HE2      GLN   3  -1.559   8.514   8.562
   18   2HE2  GLN   3          2HE2      GLN   3  -1.601   7.942  10.192
   19    H    ILE   4           H        ILE   4  -2.581  10.020   4.618
   20    HA   ILE   4           HA       ILE   4  -5.283  10.013   3.480
   21    HB   ILE   4           HB       ILE   4  -4.222   9.557   1.294
   22   1HG1  ILE   4          2HG1      ILE   4  -1.802  10.183   1.037
   23   2HG1  ILE   4          1HG1      ILE   4  -1.649  10.105   2.781
   24   1HG2  ILE   4          1HG2      ILE   4  -4.764  11.880   2.403
   25   2HG2  ILE   4          2HG2      ILE   4  -4.024  11.765   0.806
   26   3HG2  ILE   4          3HG2      ILE   4  -3.024  12.101   2.218
   27   1HD1  ILE   4          1HD1      ILE   4  -1.266   8.050   0.975
   28   2HD1  ILE   4          2HD1      ILE   4  -2.828   7.692   1.708
   29   3HD1  ILE   4          3HD1      ILE   4  -1.402   7.901   2.726
   30    H    THR   5           H        THR   5  -6.050   8.056   2.506
   31    HA   THR   5           HA       THR   5  -4.703   5.695   3.605
   32    HB   THR   5           HB       THR   5  -7.030   6.314   4.449
   33    HG1  THR   5           1HG      THR   5  -7.566   4.165   4.619
   34   1HG2  THR   5          1HG2      THR   5  -8.432   4.813   2.461
   35   2HG2  THR   5          2HG2      THR   5  -7.701   6.245   1.729
   36   3HG2  THR   5          3HG2      THR   5  -8.779   6.415   3.112
   37    H    GLY   6           H        GLY   6  -5.723   3.668   2.375
   38   1HA   GLY   6          2HA       GLY   6  -5.824   2.405   0.510
   39   2HA   GLY   6          1HA       GLY   6  -6.044   3.854  -0.406
   40    H    THR   7           H        THR   7  -3.218   4.387   1.129
   41    HA   THR   7           HA       THR   7  -1.649   2.767  -0.726
   42    HB   THR   7           HB       THR   7  -0.625   5.492  -0.399
   43    HG1  THR   7           1HG      THR   7  -3.090   5.090  -1.418
   44   1HG2  THR   7          1HG2      THR   7   0.675   3.976  -1.681
   45   2HG2  THR   7          2HG2      THR   7  -0.026   5.166  -2.783
   46   3HG2  THR   7          3HG2      THR   7  -0.721   3.550  -2.676
   47    H    CYS   8           H        CYS   8   0.035   1.947   0.021
   48    HA   CYS   8           HA       CYS   8   0.871   2.344   2.723
   49   1HB   CYS   8          2HB       CYS   8   1.474   0.338   0.588
   50   2HB   CYS   8          1HB       CYS   8   2.479   0.450   2.030
   51    HA   PRO   9           HA       PRO   9   4.640   4.678   2.700
   52   1HB   PRO   9          2HB       PRO   9   6.339   2.306   2.363
   53   2HB   PRO   9          1HB       PRO   9   6.292   3.468   3.691
   54   1HG   PRO   9          2HG       PRO   9   5.027   0.870   3.505
   55   2HG   PRO   9          1HG       PRO   9   5.150   1.941   4.902
   56   1HD   PRO   9          2HD       PRO   9   2.801   1.393   3.645
   57   2HD   PRO   9          1HD       PRO   9   3.106   2.924   4.484
   58    H    SER  10           H        SER  10   6.637   5.077   1.292
   59    HA   SER  10           HA       SER  10   5.855   5.349  -1.346
   60   1HB   SER  10          2HB       SER  10   8.678   5.106  -0.302
   61   2HB   SER  10          1HB       SER  10   8.187   5.859  -1.816
   62    HG   SER  10           HG       SER  10   6.963   7.354  -0.502
   63    H    GLY  11           H        GLY  11   5.701   3.965  -2.970
   64   1HA   GLY  11          2HA       GLY  11   6.128   2.145  -4.323
   65   2HA   GLY  11          1HA       GLY  11   7.637   1.977  -3.445
   66    H    CYS  12           H        CYS  12   4.813   1.742  -1.386
   67    HA   CYS  12           HA       CYS  12   5.530  -0.996  -0.892
   68   1HB   CYS  12          2HB       CYS  12   4.681   0.645   0.845
   69   2HB   CYS  12          1HB       CYS  12   3.106   0.458   0.109
   70    H    SER  13           H        SER  13   3.961  -2.766  -0.918
   71    HA   SER  13           HA       SER  13   2.613  -2.933  -3.429
   72   1HB   SER  13          2HB       SER  13   2.708  -4.801  -1.064
   73   2HB   SER  13          1HB       SER  13   1.937  -5.194  -2.597
   74    HG   SER  13           HG       SER  13   3.971  -4.955  -3.588
   75    H    GLY  14           H        GLY  14   0.674  -2.192  -3.820
   76   1HA   GLY  14          2HA       GLY  14  -1.022  -0.885  -2.076
   77   2HA   GLY  14          1HA       GLY  14  -1.578  -1.620  -3.562
   78    H    ASP  15           H        ASP  15  -1.325  -4.263  -3.031
   79    HA   ASP  15           HA       ASP  15  -3.631  -4.760  -1.505
   80   1HB   ASP  15          2HB       ASP  15  -2.412  -6.179  -3.393
   81   2HB   ASP  15          1HB       ASP  15  -1.703  -6.982  -2.000
   82    H    CYS  16           H        CYS  16  -0.531  -4.135  -0.483
   83    HA   CYS  16           HA       CYS  16  -0.618  -5.820   1.885
   84   1HB   CYS  16          2HB       CYS  16   1.333  -3.698   0.969
   85   2HB   CYS  16          1HB       CYS  16   1.442  -4.473   2.540
   86    H    TYR  17           H        TYR  17  -2.214  -3.125   0.883
   87    HA   TYR  17           HA       TYR  17  -2.097  -1.553   3.264
   88   1HB   TYR  17          2HB       TYR  17  -2.504  -0.805   0.811
   89   2HB   TYR  17          1HB       TYR  17  -4.152  -1.368   1.076
   90    HD1  TYR  17           1HD      TYR  17  -5.694  -0.055   2.347
   91    HD2  TYR  17           2HD      TYR  17  -1.590   0.986   2.192
   92    HE1  TYR  17           1HE      TYR  17  -6.186   2.052   3.510
   93    HE2  TYR  17           2HE      TYR  17  -2.053   3.083   3.373
   94    HH   TYR  17           HH       TYR  17  -3.588   4.299   4.430
   95    HA   PRO  18           HA       PRO  18  -3.441  -0.266   4.527
   96   1HB   PRO  18          2HB       PRO  18  -4.684  -0.291   6.989
   97   2HB   PRO  18          1HB       PRO  18  -5.365   0.392   5.526
   98   1HG   PRO  18          2HG       PRO  18  -6.246  -1.892   6.982
   99   2HG   PRO  18          1HG       PRO  18  -6.942  -1.220   5.500
  100   1HD   PRO  18          2HD       PRO  18  -5.143  -3.514   5.865
  101   2HD   PRO  18          1HD       PRO  18  -6.230  -3.146   4.525
  102    H    GLU  19           H        GLU  19  -2.588  -3.267   5.313
  103    HA   GLU  19           HA       GLU  19  -1.603  -3.092   7.941
  104   1HB   GLU  19          2HB       GLU  19  -1.957  -5.220   6.773
  105   2HB   GLU  19          1HB       GLU  19  -0.684  -4.826   5.632
  106   1HG   GLU  19          2HG       GLU  19   0.810  -5.713   6.965
  107   2HG   GLU  19          1HG       GLU  19   0.366  -4.595   8.248
  108    H    CYS  20           H        CYS  20  -0.088  -2.553   4.794
  109    HA   CYS  20           HA       CYS  20   1.859  -1.618   4.164
  110   1HB   CYS  20          2HB       CYS  20   1.012   0.265   6.363
  111   2HB   CYS  20          1HB       CYS  20   2.204   0.654   5.126
  112    HA   PRO  21           HA       PRO  21   4.433  -2.892   7.908
  113   1HB   PRO  21          2HB       PRO  21   4.920  -5.499   7.387
  114   2HB   PRO  21          1HB       PRO  21   3.462  -5.018   8.274
  115   1HG   PRO  21          2HG       PRO  21   3.787  -5.679   5.380
  116   2HG   PRO  21          1HG       PRO  21   2.527  -6.211   6.499
  117   1HD   PRO  21          2HD       PRO  21   2.170  -4.156   4.740
  118   2HD   PRO  21          1HD       PRO  21   1.370  -4.225   6.306
  119    HA   PRO  22           HA       PRO  22   7.839  -2.126   5.188
  120   1HB   PRO  22          2HB       PRO  22   9.803  -3.610   6.608
  121   2HB   PRO  22          1HB       PRO  22   9.518  -1.877   6.655
  122   1HG   PRO  22          2HG       PRO  22   8.842  -3.898   8.623
  123   2HG   PRO  22          1HG       PRO  22   8.835  -2.142   8.779
  124   1HD   PRO  22          2HD       PRO  22   6.601  -3.797   8.656
  125   2HD   PRO  22          1HD       PRO  22   6.606  -2.036   8.454
  126    H    GLY  23           H        GLY  23   7.897  -5.359   6.509
  127   1HA   GLY  23          2HA       GLY  23   9.289  -6.688   4.569
  128   2HA   GLY  23          1HA       GLY  23   8.061  -7.447   5.570
  129    H    CYS  24           H        CYS  24   5.778  -6.278   4.710
  130    HA   CYS  24           HA       CYS  24   5.235  -7.643   2.298
  131   1HB   CYS  24          2HB       CYS  24   3.688  -6.983   4.270
  132   2HB   CYS  24          1HB       CYS  24   3.515  -5.470   3.407
  133    H    CYS  25           H        CYS  25   6.213  -4.398   3.045
  134    HA   CYS  25           HA       CYS  25   5.462  -3.223   0.553
  135   1HB   CYS  25          2HB       CYS  25   7.308  -2.387   2.785
  136   2HB   CYS  25          1HB       CYS  25   7.068  -1.408   1.348
  137    H    GLY  26           H        GLY  26   8.469  -4.471   1.907
  138   1HA   GLY  26          2HA       GLY  26  10.116  -3.822  -0.301
  139   2HA   GLY  26          1HA       GLY  26  10.482  -5.014   0.935
  140    H    GLN  27           H        GLN  27   8.422  -6.827   0.550
  141    HA   GLN  27           HA       GLN  27   9.362  -8.183  -1.813
  142   1HB   GLN  27          2HB       GLN  27   7.279  -8.966   0.231
  143   2HB   GLN  27          1HB       GLN  27   7.854 -10.009  -1.064
  144   1HG   GLN  27          2HG       GLN  27  10.001  -8.895   0.555
  145   2HG   GLN  27          1HG       GLN  27   8.870  -9.888   1.474
  146   1HE2  GLN  27          1HE2      GLN  27  10.996 -11.107   1.624
  147   2HE2  GLN  27          2HE2      GLN  27  11.275 -12.317   0.425
  148    H    VAL  28           H        VAL  28   8.301  -8.551  -3.694
  149    HA   VAL  28           HA       VAL  28   5.499  -7.811  -3.973
  150    HB   VAL  28           HB       VAL  28   7.436  -6.711  -5.986
  151   1HG1  VAL  28          1HG1      VAL  28   4.610  -6.007  -5.222
  152   2HG1  VAL  28          2HG1      VAL  28   5.126  -6.878  -6.666
  153   3HG1  VAL  28          3HG1      VAL  28   5.563  -5.182  -6.453
  154   1HG2  VAL  28          1HG2      VAL  28   6.901  -5.656  -3.298
  155   2HG2  VAL  28          2HG2      VAL  28   6.704  -4.495  -4.601
  156   3HG2  VAL  28          3HG2      VAL  28   8.239  -5.337  -4.397
  157    H    ASN  29           H        ASN  29   4.599  -9.509  -4.943
  158    HA   ASN  29           HA       ASN  29   5.999 -10.775  -7.164
  159   1HB   ASN  29          2HB       ASN  29   6.145 -12.094  -4.991
  160   2HB   ASN  29          1HB       ASN  29   4.411 -12.351  -5.149
  161   1HD2  ASN  29          1HD2      ASN  29   6.882 -12.296  -7.683
  162   2HD2  ASN  29          2HD2      ASN  29   6.635 -13.926  -8.196
  163    H    LEU  30           H        LEU  30   4.801 -10.557  -8.946
  164    HA   LEU  30           HA       LEU  30   1.902 -10.965  -8.747
  165   1HB   LEU  30          2HB       LEU  30   3.279  -8.529  -9.480
  166   2HB   LEU  30          1HB       LEU  30   2.262  -9.087 -10.794
  167    HG   LEU  30           HG       LEU  30   0.821  -9.219  -8.298
  168   1HD1  LEU  30          1HD1      LEU  30   1.310  -7.320  -7.271
  169   2HD1  LEU  30          2HD1      LEU  30   0.991  -6.410  -8.746
  170   3HD1  LEU  30          3HD1      LEU  30   2.608  -7.037  -8.430
  171   1HD2  LEU  30          1HD2      LEU  30   0.309  -8.788 -10.974
  172   2HD2  LEU  30          2HD2      LEU  30  -0.028  -7.225 -10.233
  173   3HD2  LEU  30          3HD2      LEU  30  -0.857  -8.671  -9.658
  174    H    ASN  31           H        ASN  31   3.053 -13.087  -9.449
  175    HA   ASN  31           HA       ASN  31   3.538 -13.141 -12.334
  176   1HB   ASN  31          2HB       ASN  31   4.185 -15.559 -11.840
  177   2HB   ASN  31          1HB       ASN  31   5.221 -14.313 -11.150
  178   1HD2  ASN  31          1HD2      ASN  31   3.909 -17.171 -10.507
  179   2HD2  ASN  31          2HD2      ASN  31   3.727 -17.067  -8.793
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1 -11.055  -1.577 -12.124
    2   2H    GLY   1          2HT       GLY   1 -12.634  -2.158 -12.292
    3   3H    GLY   1          3HT       GLY   1 -11.818  -2.345 -10.823
    4   1HA   GLY   1          1HA       GLY   1 -11.676   0.300 -11.083
    5   2HA   GLY   1          2HA       GLY   1 -13.192  -0.025 -11.909
    6    H    SER   2           H        SER   2 -11.634   0.320  -8.906
    7    HA   SER   2           HA       SER   2 -14.075   0.392  -7.480
    8   1HB   SER   2          2HB       SER   2 -13.983  -1.563  -6.155
    9   2HB   SER   2          1HB       SER   2 -13.666  -2.124  -7.797
   10    HG   SER   2           HG       SER   2 -11.720  -2.687  -7.219
   11    H    GLN   3           H        GLN   3 -13.714   1.926  -5.987
   12    HA   GLN   3           HA       GLN   3 -11.254   3.006  -5.390
   13   1HB   GLN   3          2HB       GLN   3 -12.362   4.354  -3.845
   14   2HB   GLN   3          1HB       GLN   3 -13.592   3.958  -5.019
   15   1HG   GLN   3          2HG       GLN   3 -14.886   3.026  -3.478
   16   2HG   GLN   3          1HG       GLN   3 -13.562   2.048  -2.851
   17   1HE2  GLN   3          1HE2      GLN   3 -15.159   5.157  -2.666
   18   2HE2  GLN   3          2HE2      GLN   3 -14.581   5.576  -1.093
   19    H    ILE   4           H        ILE   4  -9.997   3.021  -3.491
   20    HA   ILE   4           HA       ILE   4 -10.272   0.800  -1.636
   21    HB   ILE   4           HB       ILE   4  -7.902   0.255  -1.871
   22   1HG1  ILE   4          2HG1      ILE   4  -7.087   0.989  -4.343
   23   2HG1  ILE   4          1HG1      ILE   4  -7.989   2.416  -3.854
   24   1HG2  ILE   4          1HG2      ILE   4  -9.023  -1.384  -2.943
   25   2HG2  ILE   4          2HG2      ILE   4  -8.229  -0.687  -4.356
   26   3HG2  ILE   4          3HG2      ILE   4  -9.892  -0.249  -3.974
   27   1HD1  ILE   4          1HD1      ILE   4  -5.470   1.307  -2.786
   28   2HD1  ILE   4          2HD1      ILE   4  -6.564   2.085  -1.642
   29   3HD1  ILE   4          3HD1      ILE   4  -5.958   2.982  -3.036
   30    H    THR   5           H        THR   5  -8.815   3.804  -2.566
   31    HA   THR   5           HA       THR   5  -7.755   5.482  -1.506
   32    HB   THR   5           HB       THR   5  -9.920   5.846  -0.538
   33    HG1  THR   5           1HG      THR   5  -8.085   7.006   0.318
   34   1HG2  THR   5          1HG2      THR   5  -9.153   4.045   1.741
   35   2HG2  THR   5          2HG2      THR   5 -10.278   3.612   0.453
   36   3HG2  THR   5          3HG2      THR   5 -10.659   4.943   1.540
   37    H    GLY   6           H        GLY   6  -6.318   6.160   0.238
   38   1HA   GLY   6          2HA       GLY   6  -4.618   5.811   1.706
   39   2HA   GLY   6          1HA       GLY   6  -5.285   4.266   2.051
   40    H    THR   7           H        THR   7  -2.443   5.202   1.587
   41    HA   THR   7           HA       THR   7  -1.746   3.080  -0.277
   42    HB   THR   7           HB       THR   7  -0.095   5.534  -0.415
   43    HG1  THR   7           1HG      THR   7  -2.133   6.415  -0.712
   44   1HG2  THR   7          1HG2      THR   7   0.778   3.897  -1.770
   45   2HG2  THR   7          2HG2      THR   7  -0.211   4.828  -2.899
   46   3HG2  THR   7          3HG2      THR   7  -0.814   3.305  -2.250
   47    H    CYS   8           H        CYS   8   0.166   2.093   0.171
   48    HA   CYS   8           HA       CYS   8   1.145   2.409   2.843
   49   1HB   CYS   8          2HB       CYS   8   1.580   0.444   0.626
   50   2HB   CYS   8          1HB       CYS   8   2.585   0.429   2.067
   51    HA   PRO   9           HA       PRO   9   4.949   4.645   2.646
   52   1HB   PRO   9          2HB       PRO   9   6.427   2.114   2.156
   53   2HB   PRO   9          1HB       PRO   9   6.723   3.377   3.353
   54   1HG   PRO   9          2HG       PRO   9   5.368   0.935   3.768
   55   2HG   PRO   9          1HG       PRO   9   5.480   2.293   4.893
   56   1HD   PRO   9          2HD       PRO   9   3.149   1.367   3.642
   57   2HD   PRO   9          1HD       PRO   9   3.334   2.927   4.468
   58    H    SER  10           H        SER  10   6.835   5.058   1.143
   59    HA   SER  10           HA       SER  10   5.916   5.412  -1.445
   60   1HB   SER  10          2HB       SER  10   8.828   5.105  -0.711
   61   2HB   SER  10          1HB       SER  10   8.144   6.044  -2.034
   62    HG   SER  10           HG       SER  10   7.428   6.639   0.621
   63    H    GLY  11           H        GLY  11   5.625   4.063  -3.081
   64   1HA   GLY  11          2HA       GLY  11   5.962   2.279  -4.506
   65   2HA   GLY  11          1HA       GLY  11   7.525   2.083  -3.739
   66    H    CYS  12           H        CYS  12   4.865   1.842  -1.490
   67    HA   CYS  12           HA       CYS  12   5.547  -0.912  -1.086
   68   1HB   CYS  12          2HB       CYS  12   4.832   0.765   0.700
   69   2HB   CYS  12          1HB       CYS  12   3.209   0.554   0.080
   70    H    SER  13           H        SER  13   3.985  -2.654  -1.098
   71    HA   SER  13           HA       SER  13   2.471  -2.733  -3.513
   72   1HB   SER  13          2HB       SER  13   2.518  -4.710  -1.229
   73   2HB   SER  13          1HB       SER  13   1.929  -5.020  -2.858
   74    HG   SER  13           HG       SER  13   4.500  -4.942  -1.885
   75    H    GLY  14           H        GLY  14   0.362  -2.398  -3.831
   76   1HA   GLY  14          2HA       GLY  14  -1.216  -0.982  -1.989
   77   2HA   GLY  14          1HA       GLY  14  -1.838  -1.782  -3.418
   78    H    ASP  15           H        ASP  15  -1.405  -4.381  -2.873
   79    HA   ASP  15           HA       ASP  15  -3.576  -4.991  -1.226
   80   1HB   ASP  15          2HB       ASP  15  -2.266  -6.408  -3.098
   81   2HB   ASP  15          1HB       ASP  15  -1.570  -7.143  -1.660
   82    H    CYS  16           H        CYS  16  -0.505  -4.117  -0.324
   83    HA   CYS  16           HA       CYS  16  -0.405  -5.703   2.108
   84   1HB   CYS  16          2HB       CYS  16   1.316  -3.461   1.030
   85   2HB   CYS  16          1HB       CYS  16   1.509  -4.078   2.664
   86    H    TYR  17           H        TYR  17  -1.927  -2.979   0.893
   87    HA   TYR  17           HA       TYR  17  -2.133  -1.435   3.292
   88   1HB   TYR  17          2HB       TYR  17  -2.256  -0.619   0.855
   89   2HB   TYR  17          1HB       TYR  17  -3.901  -1.246   0.861
   90    HD1  TYR  17           1HD      TYR  17  -1.648   1.276   2.195
   91    HD2  TYR  17           2HD      TYR  17  -5.638  -0.135   2.144
   92    HE1  TYR  17           1HE      TYR  17  -2.337   3.294   3.343
   93    HE2  TYR  17           2HE      TYR  17  -6.385   1.892   3.292
   94    HH   TYR  17           HH       TYR  17  -4.313   4.627   3.717
   95    HA   PRO  18           HA       PRO  18  -3.595  -0.188   4.440
   96   1HB   PRO  18          2HB       PRO  18  -4.986  -0.351   6.838
   97   2HB   PRO  18          1HB       PRO  18  -5.539   0.450   5.379
   98   1HG   PRO  18          2HG       PRO  18  -6.622  -1.868   6.596
   99   2HG   PRO  18          1HG       PRO  18  -7.116  -1.130   5.066
  100   1HD   PRO  18          2HD       PRO  18  -5.397  -3.477   5.567
  101   2HD   PRO  18          1HD       PRO  18  -6.360  -3.068   4.137
  102    H    GLU  19           H        GLU  19  -2.873  -3.270   5.330
  103    HA   GLU  19           HA       GLU  19  -1.936  -2.999   7.964
  104   1HB   GLU  19          2HB       GLU  19  -2.408  -5.129   6.750
  105   2HB   GLU  19          1HB       GLU  19  -0.935  -4.877   5.828
  106   1HG   GLU  19          2HG       GLU  19   0.353  -4.922   7.901
  107   2HG   GLU  19          1HG       GLU  19  -1.129  -5.186   8.807
  108    H    CYS  20           H        CYS  20  -0.375  -2.621   4.841
  109    HA   CYS  20           HA       CYS  20   1.611  -1.836   4.167
  110   1HB   CYS  20          2HB       CYS  20   0.983   0.065   6.420
  111   2HB   CYS  20          1HB       CYS  20   2.251   0.348   5.232
  112    HA   PRO  21           HA       PRO  21   3.994  -3.650   7.971
  113   1HB   PRO  21          2HB       PRO  21   4.377  -5.947   6.127
  114   2HB   PRO  21          1HB       PRO  21   4.043  -5.970   7.858
  115   1HG   PRO  21          2HG       PRO  21   2.180  -6.637   6.054
  116   2HG   PRO  21          1HG       PRO  21   1.777  -5.795   7.558
  117   1HD   PRO  21          2HD       PRO  21   1.925  -4.735   4.778
  118   2HD   PRO  21          1HD       PRO  21   0.853  -4.291   6.103
  119    HA   PRO  22           HA       PRO  22   7.571  -2.171   5.811
  120   1HB   PRO  22          2HB       PRO  22   9.528  -3.684   7.181
  121   2HB   PRO  22          1HB       PRO  22   9.024  -2.034   7.506
  122   1HG   PRO  22          2HG       PRO  22   8.414  -4.448   8.994
  123   2HG   PRO  22          1HG       PRO  22   8.161  -2.763   9.442
  124   1HD   PRO  22          2HD       PRO  22   6.193  -4.624   8.712
  125   2HD   PRO  22          1HD       PRO  22   5.983  -2.876   8.921
  126    H    GLY  23           H        GLY  23   8.035  -5.597   6.572
  127   1HA   GLY  23          2HA       GLY  23   9.564  -6.193   4.326
  128   2HA   GLY  23          1HA       GLY  23   8.704  -7.372   5.297
  129    H    CYS  24           H        CYS  24   6.144  -5.980   4.750
  130    HA   CYS  24           HA       CYS  24   5.348  -7.474   2.482
  131   1HB   CYS  24          2HB       CYS  24   3.965  -6.642   4.499
  132   2HB   CYS  24          1HB       CYS  24   3.844  -5.141   3.598
  133    H    CYS  25           H        CYS  25   6.445  -4.227   2.999
  134    HA   CYS  25           HA       CYS  25   5.627  -3.176   0.472
  135   1HB   CYS  25          2HB       CYS  25   7.584  -2.270   2.578
  136   2HB   CYS  25          1HB       CYS  25   7.294  -1.361   1.106
  137    H    GLY  26           H        GLY  26   8.650  -4.432   1.786
  138   1HA   GLY  26          2HA       GLY  26  10.183  -3.967  -0.569
  139   2HA   GLY  26          1HA       GLY  26  10.637  -5.003   0.776
  140    H    GLN  27           H        GLN  27   8.901  -6.991   0.831
  141    HA   GLN  27           HA       GLN  27   9.442  -8.373  -1.664
  142   1HB   GLN  27          2HB       GLN  27   8.943 -10.391  -0.517
  143   2HB   GLN  27          1HB       GLN  27   9.868  -9.401   0.600
  144   1HG   GLN  27          2HG       GLN  27   8.252  -9.484   2.109
  145   2HG   GLN  27          1HG       GLN  27   7.056  -8.921   0.945
  146   1HE2  GLN  27          1HE2      GLN  27   5.490 -10.297   1.816
  147   2HE2  GLN  27          2HE2      GLN  27   5.508 -11.998   1.522
  148    H    VAL  28           H        VAL  28   7.952  -9.146  -3.083
  149    HA   VAL  28           HA       VAL  28   5.113  -8.778  -2.506
  150    HB   VAL  28           HB       VAL  28   6.186  -7.808  -5.136
  151   1HG1  VAL  28          1HG1      VAL  28   3.734  -6.720  -3.907
  152   2HG1  VAL  28          2HG1      VAL  28   3.678  -8.411  -4.406
  153   3HG1  VAL  28          3HG1      VAL  28   4.068  -7.156  -5.582
  154   1HG2  VAL  28          1HG2      VAL  28   7.202  -6.149  -3.981
  155   2HG2  VAL  28          2HG2      VAL  28   6.216  -6.406  -2.540
  156   3HG2  VAL  28          3HG2      VAL  28   5.567  -5.497  -3.902
  157    H    ASN  29           H        ASN  29   4.270 -10.694  -2.859
  158    HA   ASN  29           HA       ASN  29   5.079 -12.180  -5.237
  159   1HB   ASN  29          2HB       ASN  29   5.715 -13.013  -2.741
  160   2HB   ASN  29          1HB       ASN  29   4.138 -13.771  -2.930
  161   1HD2  ASN  29          1HD2      ASN  29   6.697 -15.054  -2.718
  162   2HD2  ASN  29          2HD2      ASN  29   6.926 -15.961  -4.170
  163    H    LEU  30           H        LEU  30   3.211 -10.964  -6.103
  164    HA   LEU  30           HA       LEU  30   0.582 -11.587  -5.159
  165   1HB   LEU  30          2HB       LEU  30  -0.201 -10.345  -7.076
  166   2HB   LEU  30          1HB       LEU  30   1.109  -9.477  -6.300
  167    HG   LEU  30           HG       LEU  30   2.322 -11.057  -8.284
  168   1HD1  LEU  30          1HD1      LEU  30  -0.167  -9.686  -9.289
  169   2HD1  LEU  30          2HD1      LEU  30   0.208 -11.408  -9.369
  170   3HD1  LEU  30          3HD1      LEU  30   1.151 -10.255 -10.314
  171   1HD2  LEU  30          1HD2      LEU  30   1.659  -8.118  -8.192
  172   2HD2  LEU  30          2HD2      LEU  30   2.806  -8.861  -9.307
  173   3HD2  LEU  30          3HD2      LEU  30   3.116  -8.896  -7.571
  174    H    ASN  31           H        ASN  31   2.384 -13.837  -5.968
  175    HA   ASN  31           HA       ASN  31   0.814 -14.998  -8.153
  176   1HB   ASN  31          2HB       ASN  31   3.561 -15.601  -7.068
  177   2HB   ASN  31          1HB       ASN  31   2.719 -16.713  -8.143
  178   1HD2  ASN  31          1HD2      ASN  31   3.580 -13.280  -7.907
  179   2HD2  ASN  31          2HD2      ASN  31   3.974 -13.090  -9.578
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  -7.812   8.562 -11.540
    2   2H    GLY   1          2HT       GLY   1  -8.491   9.396 -10.234
    3   3H    GLY   1          3HT       GLY   1  -8.139  10.216 -11.670
    4   1HA   GLY   1          1HA       GLY   1 -10.497   9.828 -11.537
    5   2HA   GLY   1          2HA       GLY   1  -9.792   8.909 -12.856
    6    H    SER   2           H        SER   2  -8.600   6.883 -11.161
    7    HA   SER   2           HA       SER   2 -10.825   5.651  -9.762
    8   1HB   SER   2          2HB       SER   2  -9.603   4.440 -12.246
    9   2HB   SER   2          1HB       SER   2 -10.603   3.545 -11.104
   10    HG   SER   2           HG       SER   2 -11.827   4.354 -12.856
   11    H    GLN   3           H        GLN   3  -9.613   5.604  -7.914
   12    HA   GLN   3           HA       GLN   3  -7.590   3.531  -7.775
   13   1HB   GLN   3          2HB       GLN   3  -6.930   6.267  -6.696
   14   2HB   GLN   3          1HB       GLN   3  -5.866   4.875  -6.818
   15   1HG   GLN   3          2HG       GLN   3  -6.371   5.137  -9.385
   16   2HG   GLN   3          1HG       GLN   3  -6.727   6.796  -8.909
   17   1HE2  GLN   3          1HE2      GLN   3  -5.086   8.140  -8.353
   18   2HE2  GLN   3          2HE2      GLN   3  -3.416   7.718  -8.474
   19    H    ILE   4           H        ILE   4  -7.311   2.693  -5.700
   20    HA   ILE   4           HA       ILE   4  -9.519   3.151  -3.917
   21    HB   ILE   4           HB       ILE   4  -8.679   1.298  -2.618
   22   1HG1  ILE   4          2HG1      ILE   4  -6.604   0.063  -3.663
   23   2HG1  ILE   4          1HG1      ILE   4  -6.183   1.667  -4.244
   24   1HG2  ILE   4          1HG2      ILE   4  -9.636   1.140  -5.155
   25   2HG2  ILE   4          2HG2      ILE   4  -9.436  -0.227  -4.059
   26   3HG2  ILE   4          3HG2      ILE   4  -8.190   0.135  -5.253
   27   1HD1  ILE   4          1HD1      ILE   4  -6.559   2.327  -1.751
   28   2HD1  ILE   4          2HD1      ILE   4  -5.047   1.601  -2.275
   29   3HD1  ILE   4          3HD1      ILE   4  -6.269   0.615  -1.473
   30    H    THR   5           H        THR   5  -9.463   4.055  -1.897
   31    HA   THR   5           HA       THR   5  -7.587   6.059  -1.383
   32    HB   THR   5           HB       THR   5  -9.882   6.111  -0.497
   33    HG1  THR   5           1HG      THR   5  -8.050   7.226   0.522
   34   1HG2  THR   5          1HG2      THR   5 -10.615   4.163   0.386
   35   2HG2  THR   5          2HG2      THR   5  -9.950   4.856   1.863
   36   3HG2  THR   5          3HG2      THR   5  -9.008   3.686   0.940
   37    H    GLY   6           H        GLY   6  -6.276   6.281   0.514
   38   1HA   GLY   6          2HA       GLY   6  -4.669   5.592   1.992
   39   2HA   GLY   6          1HA       GLY   6  -5.416   4.036   1.995
   40    H    THR   7           H        THR   7  -2.498   5.133   1.720
   41    HA   THR   7           HA       THR   7  -1.730   3.152  -0.265
   42    HB   THR   7           HB       THR   7  -0.135   5.646  -0.230
   43    HG1  THR   7           1HG      THR   7  -2.414   5.442  -1.887
   44   1HG2  THR   7          1HG2      THR   7  -0.028   5.116  -2.696
   45   2HG2  THR   7          2HG2      THR   7  -0.811   3.590  -2.290
   46   3HG2  THR   7          3HG2      THR   7   0.768   3.983  -1.599
   47    H    CYS   8           H        CYS   8   0.159   2.147   0.196
   48    HA   CYS   8           HA       CYS   8   1.123   2.421   2.873
   49   1HB   CYS   8          2HB       CYS   8   1.622   0.495   0.625
   50   2HB   CYS   8          1HB       CYS   8   2.576   0.457   2.102
   51    HA   PRO   9           HA       PRO   9   4.882   4.735   2.627
   52   1HB   PRO   9          2HB       PRO   9   6.565   2.362   2.236
   53   2HB   PRO   9          1HB       PRO   9   6.595   3.558   3.532
   54   1HG   PRO   9          2HG       PRO   9   5.353   0.954   3.514
   55   2HG   PRO   9          1HG       PRO   9   5.508   2.090   4.858
   56   1HD   PRO   9          2HD       PRO   9   3.126   1.422   3.677
   57   2HD   PRO   9          1HD       PRO   9   3.411   2.966   4.510
   58    H    SER  10           H        SER  10   6.780   5.140   1.127
   59    HA   SER  10           HA       SER  10   5.884   5.370  -1.479
   60   1HB   SER  10          2HB       SER  10   8.714   5.250  -0.439
   61   2HB   SER  10          1HB       SER  10   8.266   5.783  -2.058
   62    HG   SER  10           HG       SER  10   7.895   7.041   0.409
   63    H    GLY  11           H        GLY  11   5.684   3.997  -3.091
   64   1HA   GLY  11          2HA       GLY  11   6.065   2.181  -4.462
   65   2HA   GLY  11          1HA       GLY  11   7.607   2.011  -3.646
   66    H    CYS  12           H        CYS  12   4.859   1.786  -1.471
   67    HA   CYS  12           HA       CYS  12   5.576  -0.958  -1.008
   68   1HB   CYS  12          2HB       CYS  12   4.787   0.717   0.746
   69   2HB   CYS  12          1HB       CYS  12   3.187   0.490   0.077
   70    H    SER  13           H        SER  13   3.992  -2.711  -1.004
   71    HA   SER  13           HA       SER  13   2.579  -2.856  -3.477
   72   1HB   SER  13          2HB       SER  13   2.714  -4.730  -1.121
   73   2HB   SER  13          1HB       SER  13   1.903  -5.115  -2.634
   74    HG   SER  13           HG       SER  13   4.145  -5.847  -2.380
   75    H    GLY  14           H        GLY  14   0.591  -2.232  -3.864
   76   1HA   GLY  14          2HA       GLY  14  -1.060  -0.867  -2.098
   77   2HA   GLY  14          1HA       GLY  14  -1.639  -1.631  -3.563
   78    H    ASP  15           H        ASP  15  -1.335  -4.252  -3.006
   79    HA   ASP  15           HA       ASP  15  -3.602  -4.786  -1.443
   80   1HB   ASP  15          2HB       ASP  15  -2.337  -6.210  -3.323
   81   2HB   ASP  15          1HB       ASP  15  -1.671  -7.003  -1.902
   82    H    CYS  16           H        CYS  16  -0.525  -4.063  -0.442
   83    HA   CYS  16           HA       CYS  16  -0.526  -5.754   1.922
   84   1HB   CYS  16          2HB       CYS  16   1.307  -3.539   0.988
   85   2HB   CYS  16          1HB       CYS  16   1.460  -4.277   2.574
   86    H    TYR  17           H        TYR  17  -2.219  -3.104   0.925
   87    HA   TYR  17           HA       TYR  17  -2.235  -1.568   3.344
   88   1HB   TYR  17          2HB       TYR  17  -2.602  -0.817   0.877
   89   2HB   TYR  17          1HB       TYR  17  -4.233  -1.434   1.104
   90    HD1  TYR  17           1HD      TYR  17  -5.789  -0.293   2.556
   91    HD2  TYR  17           2HD      TYR  17  -1.819   1.122   2.064
   92    HE1  TYR  17           1HE      TYR  17  -6.398   1.790   3.707
   93    HE2  TYR  17           2HE      TYR  17  -2.390   3.197   3.201
   94    HH   TYR  17           HH       TYR  17  -4.543   3.738   5.094
   95    HA   PRO  18           HA       PRO  18  -3.704  -0.432   4.651
   96   1HB   PRO  18          2HB       PRO  18  -4.946  -0.759   7.123
   97   2HB   PRO  18          1HB       PRO  18  -5.628   0.059   5.734
   98   1HG   PRO  18          2HG       PRO  18  -6.503  -2.356   6.913
   99   2HG   PRO  18          1HG       PRO  18  -7.117  -1.611   5.430
  100   1HD   PRO  18          2HD       PRO  18  -5.223  -3.847   5.788
  101   2HD   PRO  18          1HD       PRO  18  -6.292  -3.482   4.425
  102    H    GLU  19           H        GLU  19  -2.707  -3.463   5.353
  103    HA   GLU  19           HA       GLU  19  -1.715  -3.251   7.972
  104   1HB   GLU  19          2HB       GLU  19  -1.992  -5.388   6.808
  105   2HB   GLU  19          1HB       GLU  19  -0.742  -4.941   5.658
  106   1HG   GLU  19          2HG       GLU  19   0.411  -6.286   7.088
  107   2HG   GLU  19          1HG       GLU  19   0.733  -4.695   7.768
  108    H    CYS  20           H        CYS  20  -0.272  -2.604   4.822
  109    HA   CYS  20           HA       CYS  20   1.657  -1.614   4.187
  110   1HB   CYS  20          2HB       CYS  20   0.664   0.210   6.367
  111   2HB   CYS  20          1HB       CYS  20   1.985   0.642   5.288
  112    HA   PRO  21           HA       PRO  21   4.257  -2.872   7.928
  113   1HB   PRO  21          2HB       PRO  21   4.767  -5.482   7.441
  114   2HB   PRO  21          1HB       PRO  21   3.292  -4.991   8.288
  115   1HG   PRO  21          2HG       PRO  21   3.679  -5.711   5.423
  116   2HG   PRO  21          1HG       PRO  21   2.384  -6.201   6.522
  117   1HD   PRO  21          2HD       PRO  21   2.124  -4.178   4.692
  118   2HD   PRO  21          1HD       PRO  21   1.234  -4.244   6.205
  119    HA   PRO  22           HA       PRO  22   7.780  -2.113   5.379
  120   1HB   PRO  22          2HB       PRO  22   9.698  -3.608   6.830
  121   2HB   PRO  22          1HB       PRO  22   9.386  -1.883   6.919
  122   1HG   PRO  22          2HG       PRO  22   8.662  -3.970   8.798
  123   2HG   PRO  22          1HG       PRO  22   8.627  -2.221   9.002
  124   1HD   PRO  22          2HD       PRO  22   6.415  -3.899   8.734
  125   2HD   PRO  22          1HD       PRO  22   6.413  -2.132   8.609
  126    H    GLY  23           H        GLY  23   7.907  -5.399   6.607
  127   1HA   GLY  23          2HA       GLY  23   9.354  -6.562   4.593
  128   2HA   GLY  23          1HA       GLY  23   8.193  -7.434   5.581
  129    H    CYS  24           H        CYS  24   5.867  -6.161   4.751
  130    HA   CYS  24           HA       CYS  24   5.279  -7.580   2.372
  131   1HB   CYS  24          2HB       CYS  24   3.745  -6.877   4.314
  132   2HB   CYS  24          1HB       CYS  24   3.625  -5.349   3.468
  133    H    CYS  25           H        CYS  25   6.347  -4.339   3.022
  134    HA   CYS  25           HA       CYS  25   5.578  -3.221   0.511
  135   1HB   CYS  25          2HB       CYS  25   7.501  -2.376   2.672
  136   2HB   CYS  25          1HB       CYS  25   7.266  -1.438   1.209
  137    H    GLY  26           H        GLY  26   8.575  -4.538   1.827
  138   1HA   GLY  26          2HA       GLY  26  10.341  -3.972  -0.223
  139   2HA   GLY  26          1HA       GLY  26  10.437  -5.403   0.790
  140    H    GLN  27           H        GLN  27   8.692  -7.112   0.132
  141    HA   GLN  27           HA       GLN  27   8.351  -8.798  -1.418
  142   1HB   GLN  27          2HB       GLN  27   6.896  -6.397  -2.064
  143   2HB   GLN  27          1HB       GLN  27   7.209  -7.335  -3.519
  144   1HG   GLN  27          2HG       GLN  27   6.325  -9.332  -2.174
  145   2HG   GLN  27          1HG       GLN  27   5.688  -8.119  -1.066
  146   1HE2  GLN  27          1HE2      GLN  27   3.900  -9.725  -2.194
  147   2HE2  GLN  27          2HE2      GLN  27   3.003  -8.911  -3.425
  148    H    VAL  28           H        VAL  28  10.330  -9.521  -2.109
  149    HA   VAL  28           HA       VAL  28  10.961  -9.147  -4.823
  150    HB   VAL  28           HB       VAL  28  11.884  -7.055  -3.874
  151   1HG1  VAL  28          1HG1      VAL  28  12.757  -7.444  -1.790
  152   2HG1  VAL  28          2HG1      VAL  28  14.219  -7.429  -2.771
  153   3HG1  VAL  28          3HG1      VAL  28  13.514  -8.961  -2.271
  154   1HG2  VAL  28          1HG2      VAL  28  14.012  -8.848  -5.008
  155   2HG2  VAL  28          2HG2      VAL  28  13.901  -7.095  -5.150
  156   3HG2  VAL  28          3HG2      VAL  28  12.719  -8.120  -5.963
  157    H    ASN  29           H        ASN  29  11.924 -10.890  -5.555
  158    HA   ASN  29           HA       ASN  29  12.538 -13.041  -3.797
  159   1HB   ASN  29          2HB       ASN  29  11.619 -13.100  -6.247
  160   2HB   ASN  29          1HB       ASN  29  13.324 -13.063  -6.691
  161   1HD2  ASN  29          1HD2      ASN  29  14.345 -14.937  -6.805
  162   2HD2  ASN  29          2HD2      ASN  29  13.804 -16.426  -6.118
  163    H    LEU  30           H        LEU  30  14.500 -14.003  -3.328
  164    HA   LEU  30           HA       LEU  30  16.766 -12.234  -3.316
  165   1HB   LEU  30          2HB       LEU  30  16.150 -14.926  -2.191
  166   2HB   LEU  30          1HB       LEU  30  17.825 -14.423  -2.303
  167    HG   LEU  30           HG       LEU  30  16.327 -12.302  -1.105
  168   1HD1  LEU  30          1HD1      LEU  30  16.141 -14.645   0.681
  169   2HD1  LEU  30          2HD1      LEU  30  14.948 -14.545  -0.614
  170   3HD1  LEU  30          3HD1      LEU  30  15.097 -13.230   0.550
  171   1HD2  LEU  30          1HD2      LEU  30  18.572 -12.380  -0.587
  172   2HD2  LEU  30          2HD2      LEU  30  18.567 -14.129  -0.355
  173   3HD2  LEU  30          3HD2      LEU  30  17.852 -13.076   0.866
  174    H    ASN  31           H        ASN  31  15.609 -14.145  -5.711
  175    HA   ASN  31           HA       ASN  31  16.480 -14.986  -7.634
  176   1HB   ASN  31          2HB       ASN  31  18.764 -13.272  -6.692
  177   2HB   ASN  31          1HB       ASN  31  18.929 -14.278  -8.129
  178   1HD2  ASN  31          1HD2      ASN  31  18.208 -13.521  -9.995
  179   2HD2  ASN  31          2HD2      ASN  31  17.235 -12.108 -10.194
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  -0.662  15.294  10.708
    2   2H    GLY   1          2HT       GLY   1  -0.999  14.037  11.788
    3   3H    GLY   1          3HT       GLY   1  -1.078  15.643  12.311
    4   1HA   GLY   1          1HA       GLY   1  -3.265  15.451  11.954
    5   2HA   GLY   1          2HA       GLY   1  -2.805  15.724  10.281
    6    H    SER   2           H        SER   2  -3.728  14.353   8.923
    7    HA   SER   2           HA       SER   2  -3.934  11.531   9.683
    8   1HB   SER   2          2HB       SER   2  -6.229  11.566   8.500
    9   2HB   SER   2          1HB       SER   2  -6.134  12.193  10.145
   10    HG   SER   2           HG       SER   2  -6.638  14.107   9.430
   11    H    GLN   3           H        GLN   3  -2.362  10.894   8.264
   12    HA   GLN   3           HA       GLN   3  -1.958  11.813   5.683
   13   1HB   GLN   3          2HB       GLN   3  -0.462  10.043   5.431
   14   2HB   GLN   3          1HB       GLN   3  -0.465  10.348   7.149
   15   1HG   GLN   3          2HG       GLN   3  -1.274   8.316   7.638
   16   2HG   GLN   3          1HG       GLN   3  -2.395   8.320   6.280
   17   1HE2  GLN   3          1HE2      GLN   3  -1.974   6.967   4.695
   18   2HE2  GLN   3          2HE2      GLN   3  -0.444   6.241   4.356
   19    H    ILE   4           H        ILE   4  -2.375  10.832   3.643
   20    HA   ILE   4           HA       ILE   4  -5.076  10.155   3.237
   21    HB   ILE   4           HB       ILE   4  -4.479   9.664   0.919
   22   1HG1  ILE   4          2HG1      ILE   4  -1.982  10.152   0.330
   23   2HG1  ILE   4          1HG1      ILE   4  -1.680   9.700   2.001
   24   1HG2  ILE   4          1HG2      ILE   4  -4.307  12.089   2.188
   25   2HG2  ILE   4          2HG2      ILE   4  -4.388  11.832   0.446
   26   3HG2  ILE   4          3HG2      ILE   4  -2.824  12.030   1.233
   27   1HD1  ILE   4          1HD1      ILE   4  -1.758   7.565   1.472
   28   2HD1  ILE   4          2HD1      ILE   4  -1.957   8.020  -0.220
   29   3HD1  ILE   4          3HD1      ILE   4  -3.375   7.754   0.795
   30    H    THR   5           H        THR   5  -6.036   8.191   2.540
   31    HA   THR   5           HA       THR   5  -4.615   5.857   3.571
   32    HB   THR   5           HB       THR   5  -6.938   6.509   4.418
   33    HG1  THR   5           1HG      THR   5  -6.723   4.543   5.063
   34   1HG2  THR   5          1HG2      THR   5  -7.641   6.337   1.713
   35   2HG2  THR   5          2HG2      THR   5  -8.711   6.534   3.101
   36   3HG2  THR   5          3HG2      THR   5  -8.344   4.917   2.496
   37    H    GLY   6           H        GLY   6  -5.667   3.787   2.422
   38   1HA   GLY   6          2HA       GLY   6  -5.786   2.463   0.593
   39   2HA   GLY   6          1HA       GLY   6  -6.007   3.890  -0.356
   40    H    THR   7           H        THR   7  -3.167   4.396   1.197
   41    HA   THR   7           HA       THR   7  -1.610   2.788  -0.689
   42    HB   THR   7           HB       THR   7  -0.596   5.512  -0.331
   43    HG1  THR   7           1HG      THR   7  -2.910   4.901  -1.818
   44   1HG2  THR   7          1HG2      THR   7   0.655   3.910  -1.645
   45   2HG2  THR   7          2HG2      THR   7   0.081   5.247  -2.649
   46   3HG2  THR   7          3HG2      THR   7  -0.739   3.688  -2.708
   47    H    CYS   8           H        CYS   8   0.079   1.946   0.039
   48    HA   CYS   8           HA       CYS   8   0.934   2.321   2.745
   49   1HB   CYS   8          2HB       CYS   8   1.533   0.332   0.590
   50   2HB   CYS   8          1HB       CYS   8   2.519   0.416   2.044
   51    HA   PRO   9           HA       PRO   9   4.684   4.681   2.660
   52   1HB   PRO   9          2HB       PRO   9   6.359   2.281   2.334
   53   2HB   PRO   9          1HB       PRO   9   6.379   3.498   3.608
   54   1HG   PRO   9          2HG       PRO   9   5.117   0.908   3.629
   55   2HG   PRO   9          1HG       PRO   9   5.214   2.096   4.937
   56   1HD   PRO   9          2HD       PRO   9   2.887   1.388   3.660
   57   2HD   PRO   9          1HD       PRO   9   3.128   2.944   4.483
   58    H    SER  10           H        SER  10   6.645   5.071   1.227
   59    HA   SER  10           HA       SER  10   5.826   5.311  -1.407
   60   1HB   SER  10          2HB       SER  10   8.643   5.132  -0.329
   61   2HB   SER  10          1HB       SER  10   8.196   5.755  -1.915
   62    HG   SER  10           HG       SER  10   6.731   7.101  -0.245
   63    H    GLY  11           H        GLY  11   5.686   3.920  -3.029
   64   1HA   GLY  11          2HA       GLY  11   6.121   2.083  -4.364
   65   2HA   GLY  11          1HA       GLY  11   7.628   1.932  -3.481
   66    H    CYS  12           H        CYS  12   4.824   1.719  -1.413
   67    HA   CYS  12           HA       CYS  12   5.531  -1.021  -0.916
   68   1HB   CYS  12          2HB       CYS  12   4.726   0.654   0.814
   69   2HB   CYS  12          1HB       CYS  12   3.134   0.444   0.121
   70    H    SER  13           H        SER  13   3.943  -2.771  -0.933
   71    HA   SER  13           HA       SER  13   2.587  -2.916  -3.437
   72   1HB   SER  13          2HB       SER  13   2.707  -4.789  -1.086
   73   2HB   SER  13          1HB       SER  13   1.894  -5.173  -2.600
   74    HG   SER  13           HG       SER  13   3.808  -5.251  -3.613
   75    H    GLY  14           H        GLY  14   0.666  -2.144  -3.826
   76   1HA   GLY  14          2HA       GLY  14  -1.033  -0.838  -2.095
   77   2HA   GLY  14          1HA       GLY  14  -1.589  -1.581  -3.579
   78    H    ASP  15           H        ASP  15  -1.344  -4.216  -3.037
   79    HA   ASP  15           HA       ASP  15  -3.650  -4.702  -1.504
   80   1HB   ASP  15          2HB       ASP  15  -2.441  -6.128  -3.397
   81   2HB   ASP  15          1HB       ASP  15  -1.744  -6.940  -2.002
   82    H    CYS  16           H        CYS  16  -0.544  -4.091  -0.486
   83    HA   CYS  16           HA       CYS  16  -0.641  -5.789   1.876
   84   1HB   CYS  16          2HB       CYS  16   1.322  -3.669   0.982
   85   2HB   CYS  16          1HB       CYS  16   1.421  -4.449   2.553
   86    H    TYR  17           H        TYR  17  -2.233  -3.088   0.887
   87    HA   TYR  17           HA       TYR  17  -2.123  -1.534   3.283
   88   1HB   TYR  17          2HB       TYR  17  -2.520  -0.777   0.825
   89   2HB   TYR  17          1HB       TYR  17  -4.172  -1.321   1.095
   90    HD1  TYR  17           1HD      TYR  17  -1.587   1.024   2.165
   91    HD2  TYR  17           2HD      TYR  17  -5.688  -0.017   2.419
   92    HE1  TYR  17           1HE      TYR  17  -2.025   3.128   3.340
   93    HE2  TYR  17           2HE      TYR  17  -6.152   2.098   3.579
   94    HH   TYR  17           HH       TYR  17  -3.819   3.956   4.995
   95    HA   PRO  18           HA       PRO  18  -3.478  -0.287   4.580
   96   1HB   PRO  18          2HB       PRO  18  -4.721  -0.385   7.041
   97   2HB   PRO  18          1HB       PRO  18  -5.402   0.338   5.599
   98   1HG   PRO  18          2HG       PRO  18  -6.284  -1.986   6.986
   99   2HG   PRO  18          1HG       PRO  18  -6.977  -1.273   5.522
  100   1HD   PRO  18          2HD       PRO  18  -5.177  -3.574   5.827
  101   2HD   PRO  18          1HD       PRO  18  -6.260  -3.171   4.493
  102    H    GLU  19           H        GLU  19  -2.624  -3.327   5.317
  103    HA   GLU  19           HA       GLU  19  -1.640  -3.154   7.945
  104   1HB   GLU  19          2HB       GLU  19  -2.028  -5.267   6.692
  105   2HB   GLU  19          1HB       GLU  19  -0.639  -4.899   5.682
  106   1HG   GLU  19          2HG       GLU  19   0.860  -5.287   7.392
  107   2HG   GLU  19          1HG       GLU  19  -0.342  -5.003   8.644
  108    H    CYS  20           H        CYS  20  -0.131  -2.611   4.793
  109    HA   CYS  20           HA       CYS  20   1.837  -1.683   4.178
  110   1HB   CYS  20          2HB       CYS  20   0.953   0.211   6.352
  111   2HB   CYS  20          1HB       CYS  20   2.166   0.593   5.133
  112    HA   PRO  21           HA       PRO  21   4.330  -2.965   7.965
  113   1HB   PRO  21          2HB       PRO  21   4.850  -5.561   7.389
  114   2HB   PRO  21          1HB       PRO  21   3.384  -5.101   8.267
  115   1HG   PRO  21          2HG       PRO  21   3.741  -5.734   5.378
  116   2HG   PRO  21          1HG       PRO  21   2.447  -6.244   6.472
  117   1HD   PRO  21          2HD       PRO  21   2.191  -4.173   4.702
  118   2HD   PRO  21          1HD       PRO  21   1.315  -4.264   6.230
  119    HA   PRO  22           HA       PRO  22   7.815  -2.099   5.402
  120   1HB   PRO  22          2HB       PRO  22   9.743  -3.631   6.820
  121   2HB   PRO  22          1HB       PRO  22   9.442  -1.904   6.931
  122   1HG   PRO  22          2HG       PRO  22   8.718  -4.009   8.789
  123   2HG   PRO  22          1HG       PRO  22   8.689  -2.262   9.014
  124   1HD   PRO  22          2HD       PRO  22   6.476  -3.928   8.746
  125   2HD   PRO  22          1HD       PRO  22   6.475  -2.159   8.623
  126    H    GLY  23           H        GLY  23   7.880  -5.395   6.573
  127   1HA   GLY  23          2HA       GLY  23   9.340  -6.571   4.567
  128   2HA   GLY  23          1HA       GLY  23   8.159  -7.426   5.542
  129    H    CYS  24           H        CYS  24   5.827  -6.208   4.706
  130    HA   CYS  24           HA       CYS  24   5.302  -7.579   2.294
  131   1HB   CYS  24          2HB       CYS  24   3.753  -6.911   4.265
  132   2HB   CYS  24          1HB       CYS  24   3.571  -5.408   3.386
  133    H    CYS  25           H        CYS  25   6.305  -4.339   3.014
  134    HA   CYS  25           HA       CYS  25   5.538  -3.184   0.520
  135   1HB   CYS  25          2HB       CYS  25   7.433  -2.338   2.711
  136   2HB   CYS  25          1HB       CYS  25   7.143  -1.368   1.277
  137    H    GLY  26           H        GLY  26   8.555  -4.437   1.852
  138   1HA   GLY  26          2HA       GLY  26   9.951  -3.995  -0.657
  139   2HA   GLY  26          1HA       GLY  26  10.638  -4.652   0.820
  140    H    GLN  27           H        GLN  27   8.992  -6.779   1.319
  141    HA   GLN  27           HA       GLN  27   9.020  -9.041   0.882
  142   1HB   GLN  27          2HB       GLN  27   7.659  -9.639  -1.064
  143   2HB   GLN  27          1HB       GLN  27   6.953  -8.317  -0.147
  144   1HG   GLN  27          2HG       GLN  27   7.877  -6.732  -1.805
  145   2HG   GLN  27          1HG       GLN  27   8.432  -8.107  -2.757
  146   1HE2  GLN  27          1HE2      GLN  27   6.537  -9.801  -3.000
  147   2HE2  GLN  27          2HE2      GLN  27   5.060  -9.120  -3.579
  148    H    VAL  28           H        VAL  28  11.405  -8.952   0.800
  149    HA   VAL  28           HA       VAL  28  12.328 -10.301  -1.583
  150    HB   VAL  28           HB       VAL  28  13.900  -7.898  -0.673
  151   1HG1  VAL  28          1HG1      VAL  28  15.474  -8.887  -1.895
  152   2HG1  VAL  28          2HG1      VAL  28  14.497  -8.505  -3.313
  153   3HG1  VAL  28          3HG1      VAL  28  14.337 -10.077  -2.529
  154   1HG2  VAL  28          1HG2      VAL  28  13.092  -6.707  -2.634
  155   2HG2  VAL  28          2HG2      VAL  28  11.758  -7.139  -1.570
  156   3HG2  VAL  28          3HG2      VAL  28  12.042  -8.065  -3.042
  157    H    ASN  29           H        ASN  29  13.427 -11.989  -0.876
  158    HA   ASN  29           HA       ASN  29  15.131 -11.699   1.472
  159   1HB   ASN  29          2HB       ASN  29  12.762 -13.273   1.310
  160   2HB   ASN  29          1HB       ASN  29  14.137 -14.367   1.417
  161   1HD2  ASN  29          1HD2      ASN  29  15.869 -13.091   3.009
  162   2HD2  ASN  29          2HD2      ASN  29  15.190 -12.834   4.576
  163    H    LEU  30           H        LEU  30  17.080 -11.770   0.495
  164    HA   LEU  30           HA       LEU  30  17.609 -13.779  -1.553
  165   1HB   LEU  30          2HB       LEU  30  18.403 -11.260  -1.475
  166   2HB   LEU  30          1HB       LEU  30  19.705 -11.924  -0.509
  167    HG   LEU  30           HG       LEU  30  19.024 -12.819  -3.314
  168   1HD1  LEU  30          1HD1      LEU  30  20.116 -10.426  -2.657
  169   2HD1  LEU  30          2HD1      LEU  30  20.443 -11.298  -4.154
  170   3HD1  LEU  30          3HD1      LEU  30  21.557 -11.432  -2.794
  171   1HD2  LEU  30          1HD2      LEU  30  21.693 -13.405  -2.501
  172   2HD2  LEU  30          2HD2      LEU  30  20.412 -14.518  -2.979
  173   3HD2  LEU  30          3HD2      LEU  30  20.583 -14.042  -1.291
  174    H    ASN  31           H        ASN  31  19.419 -12.649   1.299
  175    HA   ASN  31           HA       ASN  31  20.492 -15.341   1.639
  176   1HB   ASN  31          2HB       ASN  31  22.083 -14.263   3.207
  177   2HB   ASN  31          1HB       ASN  31  22.130 -13.554   1.597
  178   1HD2  ASN  31          1HD2      ASN  31  21.000 -11.528   1.277
  179   2HD2  ASN  31          2HD2      ASN  31  20.850 -10.424   2.596
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1 -13.952  -1.155  -7.561
    2   2H    GLY   1          2HT       GLY   1 -14.453  -1.216  -5.946
    3   3H    GLY   1          3HT       GLY   1 -15.566  -1.503  -7.187
    4   1HA   GLY   1          1HA       GLY   1 -14.992  -3.596  -6.232
    5   2HA   GLY   1          2HA       GLY   1 -14.303  -3.492  -7.845
    6    H    SER   2           H        SER   2 -12.015  -2.752  -7.968
    7    HA   SER   2           HA       SER   2 -10.464  -4.180  -5.981
    8   1HB   SER   2          2HB       SER   2  -9.020  -2.736  -8.112
    9   2HB   SER   2          1HB       SER   2  -8.876  -4.411  -7.588
   10    HG   SER   2           HG       SER   2 -11.169  -4.401  -8.696
   11    H    GLN   3           H        GLN   3  -9.754  -3.167  -4.197
   12    HA   GLN   3           HA       GLN   3  -8.947  -1.588  -2.780
   13   1HB   GLN   3          2HB       GLN   3  -7.921  -0.461  -5.366
   14   2HB   GLN   3          1HB       GLN   3  -7.456   0.166  -3.805
   15   1HG   GLN   3          2HG       GLN   3  -7.038  -2.633  -3.770
   16   2HG   GLN   3          1HG       GLN   3  -6.336  -1.995  -5.256
   17   1HE2  GLN   3          1HE2      GLN   3  -4.471  -0.895  -5.161
   18   2HE2  GLN   3          2HE2      GLN   3  -3.623  -0.519  -3.704
   19    H    ILE   4           H        ILE   4  -9.432   0.458  -1.912
   20    HA   ILE   4           HA       ILE   4 -11.559   1.912  -3.306
   21    HB   ILE   4           HB       ILE   4 -12.490   2.465  -1.086
   22   1HG1  ILE   4          2HG1      ILE   4 -11.585   0.374   0.530
   23   2HG1  ILE   4          1HG1      ILE   4 -10.128   1.087  -0.135
   24   1HG2  ILE   4          1HG2      ILE   4 -12.669   0.029  -2.515
   25   2HG2  ILE   4          2HG2      ILE   4 -13.907   0.837  -1.554
   26   3HG2  ILE   4          3HG2      ILE   4 -12.823  -0.327  -0.795
   27   1HD1  ILE   4          1HD1      ILE   4 -10.340   2.403   1.659
   28   2HD1  ILE   4          2HD1      ILE   4 -12.093   2.209   1.733
   29   3HD1  ILE   4          3HD1      ILE   4 -11.374   3.310   0.558
   30    H    THR   5           H        THR   5  -9.034   2.238  -0.813
   31    HA   THR   5           HA       THR   5  -8.082   4.675  -1.923
   32    HB   THR   5           HB       THR   5 -10.166   5.386  -0.693
   33    HG1  THR   5           1HG      THR   5  -9.098   7.174  -0.640
   34   1HG2  THR   5          1HG2      THR   5  -9.200   5.694   1.888
   35   2HG2  THR   5          2HG2      THR   5  -8.896   4.002   1.492
   36   3HG2  THR   5          3HG2      THR   5 -10.525   4.661   1.364
   37    H    GLY   6           H        GLY   6  -6.602   5.759   0.018
   38   1HA   GLY   6          2HA       GLY   6  -4.873   5.484   1.449
   39   2HA   GLY   6          1HA       GLY   6  -5.440   3.892   1.794
   40    H    THR   7           H        THR   7  -2.672   4.934   1.374
   41    HA   THR   7           HA       THR   7  -1.838   2.905  -0.531
   42    HB   THR   7           HB       THR   7  -0.305   5.441  -0.561
   43    HG1  THR   7           1HG      THR   7  -1.648   6.160  -2.324
   44   1HG2  THR   7          1HG2      THR   7   0.695   3.749  -1.822
   45   2HG2  THR   7          2HG2      THR   7  -0.104   4.798  -2.998
   46   3HG2  THR   7          3HG2      THR   7  -0.847   3.267  -2.539
   47    H    CYS   8           H        CYS   8   0.061   1.957   0.005
   48    HA   CYS   8           HA       CYS   8   0.945   2.336   2.689
   49   1HB   CYS   8          2HB       CYS   8   1.485   0.327   0.538
   50   2HB   CYS   8          1HB       CYS   8   2.443   0.361   2.013
   51    HA   PRO   9           HA       PRO   9   4.731   4.598   2.653
   52   1HB   PRO   9          2HB       PRO   9   6.291   2.111   2.260
   53   2HB   PRO   9          1HB       PRO   9   6.457   3.361   3.492
   54   1HG   PRO   9          2HG       PRO   9   5.117   0.865   3.737
   55   2HG   PRO   9          1HG       PRO   9   5.182   2.171   4.925
   56   1HD   PRO   9          2HD       PRO   9   2.899   1.317   3.577
   57   2HD   PRO   9          1HD       PRO   9   3.071   2.874   4.411
   58    H    SER  10           H        SER  10   6.686   5.014   1.232
   59    HA   SER  10           HA       SER  10   5.881   5.322  -1.398
   60   1HB   SER  10          2HB       SER  10   8.768   4.990  -1.117
   61   2HB   SER  10          1HB       SER  10   7.844   6.399  -1.630
   62    HG   SER  10           HG       SER  10   9.012   6.694   0.360
   63    H    GLY  11           H        GLY  11   5.671   3.942  -3.023
   64   1HA   GLY  11          2HA       GLY  11   6.086   2.131  -4.394
   65   2HA   GLY  11          1HA       GLY  11   7.614   1.969  -3.551
   66    H    CYS  12           H        CYS  12   4.835   1.727  -1.426
   67    HA   CYS  12           HA       CYS  12   5.547  -1.015  -0.952
   68   1HB   CYS  12          2HB       CYS  12   4.724   0.667   0.782
   69   2HB   CYS  12          1HB       CYS  12   3.138   0.434   0.083
   70    H    SER  13           H        SER  13   3.971  -2.771  -0.990
   71    HA   SER  13           HA       SER  13   2.570  -2.894  -3.474
   72   1HB   SER  13          2HB       SER  13   2.777  -4.776  -1.134
   73   2HB   SER  13          1HB       SER  13   1.823  -5.149  -2.564
   74    HG   SER  13           HG       SER  13   3.949  -5.998  -2.676
   75    H    GLY  14           H        GLY  14   0.599  -2.204  -3.852
   76   1HA   GLY  14          2HA       GLY  14  -1.048  -0.854  -2.088
   77   2HA   GLY  14          1HA       GLY  14  -1.635  -1.614  -3.551
   78    H    ASP  15           H        ASP  15  -1.386  -4.236  -3.003
   79    HA   ASP  15           HA       ASP  15  -3.654  -4.710  -1.427
   80   1HB   ASP  15          2HB       ASP  15  -2.383  -6.183  -3.301
   81   2HB   ASP  15          1HB       ASP  15  -1.820  -7.004  -1.851
   82    H    CYS  16           H        CYS  16  -0.548  -4.063  -0.433
   83    HA   CYS  16           HA       CYS  16  -0.585  -5.743   1.934
   84   1HB   CYS  16          2HB       CYS  16   1.271  -3.537   1.020
   85   2HB   CYS  16          1HB       CYS  16   1.428  -4.323   2.583
   86    H    TYR  17           H        TYR  17  -2.257  -3.084   0.946
   87    HA   TYR  17           HA       TYR  17  -2.212  -1.523   3.349
   88   1HB   TYR  17          2HB       TYR  17  -2.624  -0.783   0.889
   89   2HB   TYR  17          1HB       TYR  17  -4.253  -1.396   1.144
   90    HD1  TYR  17           1HD      TYR  17  -1.819   1.154   2.065
   91    HD2  TYR  17           2HD      TYR  17  -5.793  -0.233   2.598
   92    HE1  TYR  17           1HE      TYR  17  -2.368   3.241   3.197
   93    HE2  TYR  17           2HE      TYR  17  -6.382   1.861   3.742
   94    HH   TYR  17           HH       TYR  17  -4.166   3.995   4.932
   95    HA   PRO  18           HA       PRO  18  -3.637  -0.343   4.649
   96   1HB   PRO  18          2HB       PRO  18  -4.821  -0.583   7.152
   97   2HB   PRO  18          1HB       PRO  18  -5.533   0.197   5.756
   98   1HG   PRO  18          2HG       PRO  18  -6.387  -2.178   7.035
   99   2HG   PRO  18          1HG       PRO  18  -7.050  -1.460   5.559
  100   1HD   PRO  18          2HD       PRO  18  -5.177  -3.713   5.897
  101   2HD   PRO  18          1HD       PRO  18  -6.276  -3.354   4.558
  102    H    GLU  19           H        GLU  19  -2.655  -3.377   5.394
  103    HA   GLU  19           HA       GLU  19  -1.596  -3.108   7.981
  104   1HB   GLU  19          2HB       GLU  19  -1.957  -5.256   6.771
  105   2HB   GLU  19          1HB       GLU  19  -0.596  -4.866   5.734
  106   1HG   GLU  19          2HG       GLU  19   0.922  -5.001   7.555
  107   2HG   GLU  19          1HG       GLU  19  -0.390  -5.075   8.717
  108    H    CYS  20           H        CYS  20  -0.186  -2.615   4.773
  109    HA   CYS  20           HA       CYS  20   1.718  -1.638   4.077
  110   1HB   CYS  20          2HB       CYS  20   0.856   0.236   6.275
  111   2HB   CYS  20          1HB       CYS  20   2.068   0.638   5.066
  112    HA   PRO  21           HA       PRO  21   4.334  -2.900   7.836
  113   1HB   PRO  21          2HB       PRO  21   4.831  -5.505   7.307
  114   2HB   PRO  21          1HB       PRO  21   3.362  -5.024   8.175
  115   1HG   PRO  21          2HG       PRO  21   3.734  -5.651   5.282
  116   2HG   PRO  21          1HG       PRO  21   2.467  -6.216   6.375
  117   1HD   PRO  21          2HD       PRO  21   2.092  -4.155   4.646
  118   2HD   PRO  21          1HD       PRO  21   1.295  -4.238   6.214
  119    HA   PRO  22           HA       PRO  22   7.824  -2.149   5.239
  120   1HB   PRO  22          2HB       PRO  22   9.752  -3.644   6.686
  121   2HB   PRO  22          1HB       PRO  22   9.450  -1.917   6.762
  122   1HG   PRO  22          2HG       PRO  22   8.735  -3.979   8.670
  123   2HG   PRO  22          1HG       PRO  22   8.702  -2.228   8.853
  124   1HD   PRO  22          2HD       PRO  22   6.491  -3.915   8.618
  125   2HD   PRO  22          1HD       PRO  22   6.486  -2.147   8.487
  126    H    GLY  23           H        GLY  23   7.942  -5.426   6.499
  127   1HA   GLY  23          2HA       GLY  23   9.348  -6.644   4.495
  128   2HA   GLY  23          1HA       GLY  23   8.162  -7.477   5.488
  129    H    CYS  24           H        CYS  24   5.862  -6.210   4.677
  130    HA   CYS  24           HA       CYS  24   5.264  -7.570   2.262
  131   1HB   CYS  24          2HB       CYS  24   3.737  -6.890   4.240
  132   2HB   CYS  24          1HB       CYS  24   3.602  -5.361   3.397
  133    H    CYS  25           H        CYS  25   6.269  -4.343   3.056
  134    HA   CYS  25           HA       CYS  25   5.623  -3.151   0.537
  135   1HB   CYS  25          2HB       CYS  25   7.387  -2.343   2.845
  136   2HB   CYS  25          1HB       CYS  25   7.213  -1.360   1.404
  137    H    GLY  26           H        GLY  26   8.537  -4.450   2.021
  138   1HA   GLY  26          2HA       GLY  26  10.524  -3.781   0.311
  139   2HA   GLY  26          1HA       GLY  26  10.436  -5.354   1.081
  140    H    GLN  27           H        GLN  27   8.481  -6.667  -0.171
  141    HA   GLN  27           HA       GLN  27   8.345  -8.100  -1.990
  142   1HB   GLN  27          2HB       GLN  27   7.366  -6.971  -3.934
  143   2HB   GLN  27          1HB       GLN  27   6.660  -6.414  -2.423
  144   1HG   GLN  27          2HG       GLN  27   7.024  -4.352  -3.127
  145   2HG   GLN  27          1HG       GLN  27   8.735  -4.649  -2.886
  146   1HE2  GLN  27          1HE2      GLN  27   7.830  -2.833  -4.731
  147   2HE2  GLN  27          2HE2      GLN  27   8.181  -3.407  -6.321
  148    H    VAL  28           H        VAL  28  10.285  -9.034  -2.370
  149    HA   VAL  28           HA       VAL  28  12.145  -9.630  -3.537
  150    HB   VAL  28           HB       VAL  28  11.211  -7.469  -5.387
  151   1HG1  VAL  28          1HG1      VAL  28  12.699  -8.320  -7.060
  152   2HG1  VAL  28          2HG1      VAL  28  13.195  -9.644  -6.004
  153   3HG1  VAL  28          3HG1      VAL  28  13.644  -7.984  -5.609
  154   1HG2  VAL  28          1HG2      VAL  28   9.567  -9.166  -5.334
  155   2HG2  VAL  28          2HG2      VAL  28  10.787 -10.438  -5.399
  156   3HG2  VAL  28          3HG2      VAL  28  10.498  -9.420  -6.808
  157    H    ASN  29           H        ASN  29  14.130  -9.196  -2.899
  158    HA   ASN  29           HA       ASN  29  14.852  -6.449  -2.238
  159   1HB   ASN  29          2HB       ASN  29  15.095  -8.810  -0.776
  160   2HB   ASN  29          1HB       ASN  29  16.733  -8.459  -1.315
  161   1HD2  ASN  29          1HD2      ASN  29  16.834  -5.756  -1.257
  162   2HD2  ASN  29          2HD2      ASN  29  16.609  -5.178   0.353
  163    H    LEU  30           H        LEU  30  16.727  -5.507  -2.970
  164    HA   LEU  30           HA       LEU  30  17.804  -6.600  -5.422
  165   1HB   LEU  30          2HB       LEU  30  17.169  -4.164  -5.000
  166   2HB   LEU  30          1HB       LEU  30  18.636  -4.058  -4.045
  167    HG   LEU  30           HG       LEU  30  19.279  -5.187  -6.597
  168   1HD1  LEU  30          1HD1      LEU  30  17.093  -3.828  -7.068
  169   2HD1  LEU  30          2HD1      LEU  30  18.484  -3.695  -8.145
  170   3HD1  LEU  30          3HD1      LEU  30  18.176  -2.441  -6.944
  171   1HD2  LEU  30          1HD2      LEU  30  19.990  -2.727  -5.043
  172   2HD2  LEU  30          2HD2      LEU  30  20.596  -2.973  -6.681
  173   3HD2  LEU  30          3HD2      LEU  30  20.980  -4.138  -5.414
  174    H    ASN  31           H        ASN  31  19.321  -5.189  -2.516
  175    HA   ASN  31           HA       ASN  31  21.782  -6.609  -3.045
  176   1HB   ASN  31          2HB       ASN  31  22.534  -5.461  -0.924
  177   2HB   ASN  31          1HB       ASN  31  22.022  -4.381  -2.218
  178   1HD2  ASN  31          1HD2      ASN  31  21.851  -4.877   0.992
  179   2HD2  ASN  31          2HD2      ASN  31  20.370  -4.061   1.348