*HEADER    STRUCTURAL PROTEIN                      31-JAN-07   2OQ9              
*TITLE     STRUCTURE OF THE NON-CANONICAL MCOL5 OF HYDRA NEMATOCYSTS             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MINICOLLAGEN-5;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: WILD TYPE SEQUENCE OBTAINED BY SOLID PHASE            
*SOURCE   4 SYNTHESIS AND OXIDATIVE REFOLDING                                    
*KEYWDS    DISULFIDE, CIS-PROLINE, NEMATOCYST, NON-CANONICAL CRD,                
*KEYWDS   2 CYSTEINE-RICH DOMAIN, STRUCTURAL PROTEIN                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    S.MEIER, S.OEZBEK, S.GRZESIEK                                         
*REVDAT   1   18-DEC-07 2OQ9    0                                                


assign (resid   1   and name  HA)  (resid      2   and name  HD1 )    2.99864  0.239728  0.499864
assign (resid   1   and name  HB#)  (resid      2   and name  HD# )    4.00601  0.441202  0.600601
assign (resid   3   and name  HN)  (resid      2   and name  HA )    2.47374  0.234748  0.247374
assign (resid   3   and name  HN)  (resid      2   and name  HD# )    5.02085  0.74417  0.602085
assign (resid   3   and name  HN)  (resid      1   and name  HB# )    4.69973  0.379946  0.569973
assign (resid   3   and name  HN)  (resid      3   and name  HA )    3.13689  0.367378  0.213689
assign (resid   3   and name  HN)  (resid      3   and name  HG# )    4.50868  0.941736  0.950868
assign (resid   3   and name  HN)  (resid      3   and name  HB# )    3.01189  0.442378  0.601189
assign (resid   3   and name  HN)  (resid      3   and name  HB2 )    4.02855  0.84571  0.802855
assign (resid   3   and name  HN)  (resid      2   and name  HG# )    3.92384  0.524768  0.592384
assign (resid   4   and name  HN)  (resid      3   and name  HA )    2.31372  0.202744  0.231372
assign (resid   4   and name  HN)  (resid      4   and name  HG# )    3.14803  0.269606  0.614803
assign (resid   4   and name  HN)  (resid      3   and name  HG# )    4.60634  0.561268  0.660634
assign (resid   4   and name  HN)  (resid      3   and name  HG# )    4.59231  0.558462  0.659231
assign (resid   4   and name  HN)  (resid      2   and name  HG# )    4.49148  0.538296  0.649148
assign (resid   4   and name  HN)  (resid      4   and name  HB2 )    2.83322  0.206644  0.483322
assign (resid   4   and name  HN)  (resid      4   and name  HB1 )    2.80837  0.201674  0.480837
assign (resid   5   and name  HN)  (resid      5   and name  HB# )    2.3009  0.10018  0.43009
assign (resid   5   and name  HN)  (resid      4   and name  HA )    2.16767  0.073534  0.316767
assign (resid   5   and name  HN)  (resid      5   and name  HA )    3.10503  0.361006  0.210503
assign (resid   5   and name  HB#)  (resid      6   and name  HD# )    2.99168  0.338336  0.399168
assign (resid   5   and name  HN)  (resid      6   and name  HD2 )    4.21027  0.382054  0.421027
assign (resid   5   and name  HN)  (resid      6   and name  HD1 )    4.05366  0.350732  0.405366
assign (resid   7   and name  HN)  (resid      7   and name  HG2# )    2.63977  0.367954  0.763977
assign (resid   7   and name  HN)  (resid      6   and name  HB# )    3.45733  0.331466  0.545733
assign (resid   7   and name  HN)  (resid      6   and name  HD# )    5.05497  0.650994  0.705497
assign (resid   7   and name  HN)  (resid      6   and name  HG# )    3.3819  0.31638  0.83819
assign (resid   7   and name  HA)  (resid      6   and name  HB# )    4.91125  0.62225  0.691125
assign (resid   7   and name  HN)  (resid      7   and name  HG1# )    3.18018  0.376036  0.618018
assign (resid   7   and name  HN)  (resid      6   and name  HA )    2.15351  0.070702  0.415351
assign (resid   7   and name  HN)  (resid      4   and name  HG# )    4.63745  0.56749  0.663745
assign (resid   7   and name  HN)  (resid      6   and name  HD# )    4.28608  0.497216  0.628608
assign (resid   7   and name  HA)  (resid      6   and name  HA )    4.26919  0.493838  0.626919
assign (resid   7   and name  HA)  (resid      8   and name  HG# )    4.08339  0.456678  1.408339
assign (resid   7   and name  HN)  (resid      7   and name  HA )    2.75669  0.291338  0.475669
assign (resid   7   and name  HN)  (resid      7   and name  HB )    2.70609  0.181218  0.970609
assign (resid   8   and name  HE21)  (resid      8   and name  HB# )    3.83394  0.406788  0.583394
assign (resid   8   and name  HN)  (resid      9   and name  HB# )    3.72741  0.385482  1.772741
assign (resid   8   and name  HN)  (resid      6   and name  HB# )    5.03961  0.647922  1.103961
assign (resid   8   and name  HN)  (resid      7   and name  HG2# )    3.41816  0.323632  0.941816
assign (resid   8   and name  HN)  (resid      7   and name  HN )    3.41816  0.423632  0.641816
assign (resid   8   and name  HN)  (resid      7   and name  HB )    3.2331  0.28662  0.42331
assign (resid   8   and name  HN)  (resid      8   and name  HG# )    3.12201  0.264402  0.512201
assign (resid   8   and name  HN)  (resid      7   and name  HA )    2.08953  0.057906  0.308953
assign (resid   8   and name  HN)  (resid      7   and name  HG1# )    3.01189  0.242378  0.901189
assign (resid   8   and name  HN)  (resid      8   and name  HB1 )    3.00777  0.241554  0.500777
assign (resid   8   and name  HN)  (resid      6   and name  HB# )    4.37121  0.514242  0.937121
assign (resid   8   and name  HN)  (resid      8   and name  HA )    2.94763  0.329526  0.294763
assign (resid   8   and name  HA)  (resid      7   and name  HG## )    4.14586  0.469172  0.714586
assign (resid   8   and name  HN)  (resid      6   and name  HA )    4.10198  0.460396  1.210198
assign (resid   8   and name  HN)  (resid      8   and name  HB2 )    2.74842  0.289684  0.674842
assign (resid   9   and name  HN)  (resid      8   and name  HB2 )    3.57647  0.255294  0.757647
assign (resid   9   and name  HN)  (resid      8   and name  HG# )    3.53992  0.247984  0.853992
assign (resid   9   and name  HN)  (resid      6   and name  HB# )    4.89868  0.319736  2.889868
assign (resid   9   and name  HN)  (resid      9   and name  HB# )    2.25824  0.091648  0.625824
assign (resid   9   and name  HN)  (resid      8   and name  HB1 )    3.27395  0.29479  0.727395
assign (resid   9   and name  HN)  (resid      8   and name  HA )    2.14091  0.068182  0.214091
assign (resid   9   and name  HN)  (resid      7   and name  HG2# )    4.55194  0.650388  1.055194
assign (resid   9   and name  HN)  (resid      7   and name  HA )    4.521  0.4442  1.0521
assign (resid   9   and name  HN)  (resid      9   and name  HA )    2.97712  0.235424  0.297712
assign (resid   9   and name  HA)  (resid      7   and name  HG2# )    4.16757  0.573514  1.416757
assign (resid   9   and name  HN)  (resid      7   and name  HG1# )    4.00221  0.440442  0.900221
assign (resid   10   and name  HN)  (resid      10   and name  HA )    3.54637  0.949274  0.354637
assign (resid   10   and name  HN)  (resid      7   and name  HG2# )    5.17729  0.675458  1.217729
assign (resid   10   and name  HA)  (resid      11   and name  HD1 )    2.36867  0.113734  0.736867
assign (resid   10   and name  HA)  (resid      11   and name  HD2 )    2.29468  0.098936  0.729468
assign (resid   10   and name  HN)  (resid      10   and name  HB# )    2.17289  0.374578  0.717289
assign (resid   10   and name  HN)  (resid      9   and name  HA )    2.15749  0.271498  0.215749
assign (resid   10   and name  HN)  (resid      7   and name  HG1# )    4.58836  0.557672  1.158836
assign (resid   10   and name  HN)  (resid      11   and name  HD# )    4.53356  0.546712  0.653356
assign (resid   10   and name  HN)  (resid      10   and name  HA )    2.98095  0.23619  0.398095
assign (resid   10   and name  HN)  (resid      8   and name  HB# )    4.18181  0.476362  0.618181
assign (resid   10   and name  HN)  (resid      8   and name  HG# )    4.17976  0.475952  0.617976
assign (resid   10   and name  HN)  (resid      11   and name  HD1 )    4.17161  0.474322  0.717161
assign (resid   10   and name  HN)  (resid      7   and name  HB )    4.1478  0.46956  1.31478
assign (resid   10   and name  HN)  (resid      11   and name  HD2 )    4.09839  0.459678  0.809839
assign (resid   10   and name  HN)  (resid      8   and name  HB# )    4.06791  0.553582  0.706791
assign (resid   12   and name  HN)  (resid      11   and name  HB# )    3.58056  0.356112  0.558056
assign (resid   12   and name  HN)  (resid      12   and name  HB# )    2.39411  0.118822  0.939411
assign (resid   12   and name  HN)  (resid      11   and name  HG# )    3.40956  0.321912  0.740956
assign (resid   12   and name  HN)  (resid      11   and name  HA )    2.30507  0.101014  0.430507
assign (resid   12   and name  HN)  (resid      13   and name  HB# )    4.78934  0.597868  0.678934
assign (resid   12   and name  HN)  (resid      11   and name  HD1 )    4.67907  0.575814  0.667907
assign (resid   12   and name  HA)  (resid      13   and name  HB1 )    4.58443  0.556886  0.658443
assign (resid   12   and name  HN)  (resid      12   and name  HA )    3.00029  0.440058  0.500029
assign (resid   12   and name  HN)  (resid      11   and name  HD2 )    4.2277  0.48554  0.62277
assign (resid   12   and name  HA)  (resid      13   and name  HB# )    4.1098  0.46196  0.61098
assign (resid   13   and name  HN)  (resid      11   and name  HG# )    3.71501  0.383002  0.571501
assign (resid   13   and name  HN)  (resid      14   and name  HB# )    4.89924  0.619848  0.689924
assign (resid   13   and name  HN)  (resid      12   and name  HN )    3.27294  0.394588  0.227294
assign (resid   13   and name  HN)  (resid      14   and name  HB# )    4.76091  0.592182  0.776091
assign (resid   13   and name  HN)  (resid      12   and name  HA )    2.17761  0.075522  0.617761
assign (resid   13   and name  HN)  (resid      21   and name  HB1 )    4.62011  0.564022  0.962011
assign (resid   13   and name  HN)  (resid      21   and name  HB2 )    4.5041  0.94082  1.85041
assign (resid   13   and name  HN)  (resid      10   and name  HA )     4.8041  0.34082  2.85041
assign (resid   13   and name  HN)  (resid      11   and name  HB# )    4.32974  0.505948  0.732974
assign (resid   13   and name  HB2)  (resid      22   and name  HA )    2.93543  0.327086  0.493543
assign (resid   13   and name  HN)  (resid      22   and name  HB1 )    4.30003  0.600006  0.930003
assign (resid   13   and name  HA)  (resid      14   and name  HG# )    4.16995  0.47399  0.516995
assign (resid   13   and name  HN)  (resid      14   and name  HG# )    4.16858  0.473716  0.616858
assign (resid   13   and name  HN)  (resid      22   and name  HA )    4.0975  0.3595  0.40975
assign (resid   13   and name  HN)  (resid      13   and name  HA )    2.72813  0.185626  0.472813
assign (resid   13   and name  HA)  (resid      21   and name  HB2 )    3.98399  0.536798  0.398399
assign (resid   13   and name  HA)  (resid      21   and name  HB1 )    3.92336  0.524672  0.392336
assign (resid   13   and name  HN)  (resid      11   and name  HA )    3.89789  0.419578  0.589789
assign (resid   13   and name  HN)  (resid      13   and name  HB2 )    2.61781  0.163562  0.461781
assign (resid   13   and name  HN)  (resid      18   and name  HB# )    3.82559  0.505118  2.5
assign (resid   13   and name  HN)  (resid      13   and name  HB1 )    2.60025  0.16005  0.460025
assign (resid   13   and name  HB1)  (resid      22   and name  HA )    3.77188  0.394376  0.377188
assign (resid   13   and name  HN)  (resid      12   and name  HB# )    2.54289  0.48578  0.954289
assign (resid   14   and name  HN)  (resid      3   and name  HG# )    5.08268  0.956536  25
assign (resid   14   and name  HN)  (resid      14   and name  HA )    3.35253  0.710506  0.535253
assign (resid   14   and name  HN)  (resid      14   and name  HB2 )    3.35253  0.810506  0.535253
assign (resid   14   and name  HN)  (resid      2   and name  HG# )    4.88243  0.816486  25
assign (resid   14   and name  HN)  (resid      14   and name  HG# )    3.32075  0.70415  0.532075
assign (resid   14   and name  HN)  (resid      21   and name  HB1 )    4.86602  1.513204  1.086602
assign (resid   14   and name  HN)  (resid      13   and name  HB1 )    4.65485  0.47097  0.665485
assign (resid   14   and name  HN)  (resid      12   and name  HB# )    4.64893  0.969786  0.664893
assign (resid   14   and name  HN)  (resid      21   and name  HN )    4.60065  0.96013  0.660065
assign (resid   14   and name  HA)  (resid      15   and name  HA )    4.25244  0.690488  0.625244
assign (resid   14   and name  HN)  (resid      13   and name  HN )    4.16447  0.972894  0.616447
assign (resid   14   and name  HN)  (resid      18   and name  HB# )    3.93884  0.827768  1.093884
assign (resid   14   and name  HN)  (resid      13   and name  HB2 )    3.93608  0.327216  0.493608
assign (resid   14   and name  HN)  (resid      13   and name  HA )    2.63513  0.367026  0.663513
assign (resid   14   and name  HN)  (resid      14   and name  HB1 )    3.80491  0.600982  0.580491
assign (resid   15   and name  HN)  (resid      15   and name  HA )    3.69692  1.279384  0.269692
assign (resid   15   and name  HA)  (resid      17   and name  HN )    3.43017  0.326034  0.543017
assign (resid   15   and name  HN)  (resid      14   and name  HA )    3.29359  0.998718  0.529359
assign (resid   15   and name  HN)  (resid      14   and name  HG# )    4.58979  0.957958  0.658979
assign (resid   15   and name  HN)  (resid      14   and name  HB# )    4.46963  0.933926  0.646963
assign (resid   15   and name  HN)  (resid      15   and name  HB# )    3.04513  0.749026  0.504513
assign (resid   15   and name  HN)  (resid      14   and name  HB# )    4.22167  0.984334  0.622167
assign (resid   15   and name  HB#)  (resid      16   and name  HB# )    3.98599  0.937198  0.598599
assign (resid   16   and name  HN)  (resid      15   and name  HA )    3.70891  0.981782  0.570891
assign (resid   16   and name  HN)  (resid      16   and name  HA )    3.30969  0.901938  0.530969
assign (resid   16   and name  HN)  (resid      15   and name  HN )    4.78212  1.596424  0.678212
assign (resid   16   and name  HA)  (resid      15   and name  HB# )    3.22271  0.284542  0.522271
assign (resid   16   and name  HN)  (resid      15   and name  HB# )    3.11255  0.66251  0.511255
assign (resid   16   and name  HN)  (resid      14   and name  HA )    4.47638  0.735276  0.647638
assign (resid   16   and name  HN)  (resid      14   and name  HB1 )    4.2277  0.78554  0.92277
assign (resid   16   and name  HN)  (resid      14   and name  HG# )    3.98199  0.636398  0.598199
assign (resid   16   and name  HN)  (resid      14   and name  HB2 )    3.74723  0.689446  0.574723
assign (resid   17   and name  HN)  (resid      16   and name  HB1 )    3.70288  0.380576  0.670288
assign (resid   17   and name  HN)  (resid      16   and name  HB2 )    3.67945  0.37589  0.667945
assign (resid   17   and name  HN)  (resid      14   and name  HB1 )    3.58532  0.357064  0.558532
assign (resid   17   and name  HN)  (resid      14   and name  HB2 )    3.43369  0.326738  0.543369
assign (resid   17   and name  HN)  (resid      16   and name  HA )    3.23419  0.486838  0.523419
assign (resid   17   and name  HN)  (resid      17   and name  HB2 )    3.20931  0.481862  0.520931
assign (resid   17   and name  HA)  (resid      21   and name  HB2 )    4.64893  0.569786  0.664893
assign (resid   17   and name  HN)  (resid      17   and name  HB1 )    3.12516  0.465032  0.512516
assign (resid   17   and name  HN)  (resid      17   and name  HA )    2.32516  0.365032  0.312516
assign (resid   17   and name  HN)  (resid      17   and name  HA )    2.32516  0.365032  0.312516
assign (resid   17   and name  HN)  (resid      17   and name  HA )    2.32516  0.365032  0.312516
assign (resid   17   and name  HN)  (resid      17   and name  HA )    2.32516  0.365032  0.312516
assign (resid   17   and name  HN)  (resid      16   and name  HN )    2.97886  0.435772  0.397886
assign (resid   17   and name  HN)  (resid      21   and name  HB1 )    4.45232  0.370464  3.015232
assign (resid   22   and name  HN)  (resid      21   and name  HB1 )    4.35232  0.270464  0.515232
assign (resid   17   and name  HB1)  (resid      21   and name  HB2 )    2.71359  0.182718  0.371359
assign (resid   17   and name  HA)  (resid      17   and name  HB1 )    2.6989  0.17978  0.46989
assign (resid   17   and name  HA)  (resid      17   and name  HB2 )    2.67173  0.174346  0.467173
assign (resid   18   and name  HN)  (resid      16   and name  HA )    3.60481  0.360962  0.560481
assign (resid   18   and name  HN)  (resid      17   and name  HN )    2.30076  0.100152  0.430076
assign (resid   18   and name  HN)  (resid      21   and name  HB2 )    4.90351  0.620702  1.090351
assign (resid   18   and name  HN)  (resid      16   and name  HB# )    4.74373  0.588746  0.674373
assign (resid   18   and name  HN)  (resid      17   and name  HA )    3.22956  0.285912  0.522956
assign (resid   18   and name  HN)  (resid      15   and name  HA )    3.18992  0.277984  0.518992
assign (resid   18   and name  HN)  (resid      19   and name  HB# )    4.64307  0.668614  1.164307
assign (resid   18   and name  HN)  (resid      18   and name  HB# )    2.05846  0.051692  0.605846
assign (resid   18   and name  HA)  (resid      20   and name  HG# )    4.38202  0.516404  0.638202
assign (resid   18   and name  HA)  (resid      14   and name  HB# )    4.12491  0.564982  0.912491
assign (resid   18   and name  HN)  (resid      17   and name  HB2 )    4.06208  0.452416  0.606208
assign (resid   18   and name  HN)  (resid      18   and name  HA )    2.70022  0.180044  0.470022
assign (resid   18   and name  HB#)  (resid      19   and name  HD# )    3.87602  0.415204  0.587602
assign (resid   18   and name  HN)  (resid      19   and name  HA )    3.81886  0.403772  0.581886
assign (resid   19   and name  HA)  (resid      22   and name  HN )    3.53096  0.346192  0.553096
assign (resid   19   and name  HA)  (resid      18   and name  HA )    2.28001  0.096002  0.428001
assign (resid   19   and name  HA)  (resid      22   and name  HB2 )    3.22045  0.28409  0.322045
assign (resid   19   and name  HA)  (resid      18   and name  HB# )    2.88654  0.517308  0.788654
assign (resid   19   and name  HA)  (resid      22   and name  HB1 )    4.17548  0.475096  0.617548
assign (resid   19   and name  HA)  (resid      19   and name  HD1 )    4.06323  0.452646  0.606323
assign (resid   20   and name  HE22)  (resid      19   and name  HD# )    3.65155  0.37031  0.565155
assign (resid   20   and name  HN)  (resid      19   and name  HB2 )    3.59987  0.359974  0.559987
assign (resid   20   and name  HN)  (resid      18   and name  HB# )    3.57585  0.35517  0.857585
assign (resid   20   and name  HN)  (resid      19   and name  HG2 )    3.56655  0.35331  0.556655
assign (resid   20   and name  HN)  (resid      20   and name  HG1 )    3.52668  0.345336  0.552668
assign (resid   20   and name  HN)  (resid      19   and name  HD1 )    3.4444  0.32888  0.54444
assign (resid   20   and name  HN)  (resid      17   and name  HA )    4.98989  0.737978  0.498989
assign (resid   20   and name  HN)  (resid      20   and name  HG2 )    3.36158  0.312316  0.536158
assign (resid   20   and name  HN)  (resid      19   and name  HA )    3.25074  0.290148  0.225074
assign (resid   20   and name  HN)  (resid      21   and name  HB2 )    4.60615  0.56123  0.660615
assign (resid   20   and name  HE21)  (resid      20   and name  HG1 )    3.10202  0.260404  0.510202
assign (resid   20   and name  HE21)  (resid      20   and name  HG2 )    3.05437  0.250874  0.505437
assign (resid   20   and name  HE21)  (resid      19   and name  HG2 )    4.4674  0.53348  0.64674
assign (resid   20   and name  HN)  (resid      19   and name  HG2 )    2.98016  0.236032  0.498016
assign (resid   20   and name  HE21)  (resid      20   and name  HB# )    4.35907  0.511814  0.635907
assign (resid   20   and name  HE21)  (resid      20   and name  HN )    4.26039  0.492078  0.626039
assign (resid   20   and name  HE22)  (resid      19   and name  HG2 )    4.11731  0.463462  0.611731
assign (resid   20   and name  HN)  (resid      20   and name  HB1 )    2.80338  0.200676  0.680338
assign (resid   20   and name  HN)  (resid      21   and name  HN )    2.80168  0.300336  0.380168
assign (resid   20   and name  HA)  (resid      19   and name  HG# )    4.10608  0.461216  0.610608
assign (resid   20   and name  HE22)  (resid      20   and name  HN )    4.03412  0.446824  0.603412
assign (resid   20   and name  HN)  (resid      20   and name  HA )    2.67541  0.275082  0.267541
assign (resid   20   and name  HN)  (resid      19   and name  HD2 )    2.65795  0.17159  0.465795
assign (resid   20   and name  HE22)  (resid      20   and name  HB1 )    3.81368  1.102736  1.181368
assign (resid   20   and name  HE22)  (resid      20   and name  HB2 )    3.78012  0.396024  0.578012
assign (resid   20   and name  HN)  (resid      20   and name  HB2 )    2.54811  0.149622  0.454811
assign (resid   21   and name  HN)  (resid      18   and name  HB# )    3.70288  0.380576  0.570288
assign (resid   21   and name  HB1)  (resid      17   and name  HB1 )    3.69104  0.378208  0.369104
assign (resid   21   and name  HB2)  (resid      17   and name  HB2 )    3.56655  0.35331  0.356655
assign (resid   21   and name  HN)  (resid      20   and name  HA )    3.40621  0.321242  0.540621
assign (resid   21   and name  HN)  (resid      22   and name  HA )    4.90351  0.620702  0.690351
assign (resid   21   and name  HN)  (resid      21   and name  HB1 )    3.30697  0.301394  0.530697
assign (resid   21   and name  HB#)  (resid      20   and name  HG# )    4.75744  0.591488  1.175744
assign (resid   21   and name  HN)  (resid      20   and name  HB1 )    3.19416  0.278832  0.519416
assign (resid   21   and name  HN)  (resid      20   and name  HB2 )    3.15151  0.370302  0.515151
assign (resid   21   and name  HN)  (resid      20   and name  HB1 )    3.19416  0.278832  0.519416
assign (resid   21   and name  HN)  (resid      20   and name  HB2 )    3.15151  0.370302  0.515151
assign (resid   21   and name  HN)  (resid      17   and name  HA )    4.56859  0.553718  0.656859
assign (resid   21   and name  HB1)  (resid      17   and name  HB2 )    4.37044  0.514088  0.637044
assign (resid   21   and name  HN)  (resid      17   and name  HB2 )    4.29663  0.499326  0.629663
assign (resid   21   and name  HN)  (resid      20   and name  HG2 )    4.26359  0.492718  0.626359
assign (resid   21   and name  HN)  (resid      18   and name  HA )    2.71906  0.183812  0.471906
assign (resid   21   and name  HB#)  (resid      20   and name  HB# )    3.96627  0.433254  0.596627
assign (resid   21   and name  HN)  (resid      21   and name  HB2 )    2.70153  0.280306  0.570153
assign (resid   21   and name  HN)  (resid      19   and name  HA )    3.75974  0.391948  0.575974
assign (resid   21   and name  HN)  (resid      20   and name  HG1 )    3.74853  0.389706  0.674853
assign (resid   22   and name  HB1)  (resid      18   and name  HB# )    3.57585  0.35517  0.557585
assign (resid   22   and name  HN)  (resid      20   and name  HA )    3.43017  0.326034  0.543017
assign (resid   22   and name  HN)  (resid      21   and name  HN )    3.38338  0.716676  0.738338
assign (resid   22   and name  HN)  (resid      22   and name  HB1 )    3.29096  0.298192  0.329096
assign (resid   22   and name  HN)  (resid      11   and name  HD2 )    4.701  0.5802  1.5701
assign (resid   22   and name  HN)  (resid      13   and name  HA )    4.5041  0.54082  0.65041
assign (resid   22   and name  HN)  (resid      13   and name  HB2 )    4.3958  0.51916  0.63958
assign (resid   22   and name  HB1)  (resid      24   and name  HG# )    4.38202  0.516404  0.638202
assign (resid   22   and name  HB2)  (resid      18   and name  HB# )    4.2652  0.49304  0.62652
assign (resid   22   and name  HN)  (resid      18   and name  HB# )    2.87927  0.215854  0.787927
assign (resid   22   and name  HN)  (resid      22   and name  HB2 )    2.7324  0.18648  0.47324
assign (resid   22   and name  HN)  (resid      20   and name  HN )    3.95857  0.431714  0.695857
assign (resid   22   and name  HN)  (resid      21   and name  HA )    2.69565  0.17913  0.369565
assign (resid   23   and name  HN)  (resid      22   and name  HB1 )    3.51824  0.243648  0.251824
assign (resid   23   and name  HN)  (resid      22   and name  HA )    3.05282  0.550564  0.205282
assign (resid   23   and name  HN)  (resid      22   and name  HN )    3.17886  0.235772  1.397886
assign (resid   23   and name  HN)  (resid      23   and name  HA1 )    2.88445  0.11689  0.288445
assign (resid   23   and name  HN)  (resid      22   and name  HB2 )    3.9315  0.2263  0.49315
assign (resid   23   and name  HN)  (resid      23   and name  HA2 )    2.54899  0.249798  0.254899
assign (resid   23   and name  HN)  (resid      11   and name  HB# )    4.04899  0.349798  4.354899
assign (resid   23   and name  HN)  (resid      11   and name  HG# )    4.15232  0.870464  4.515232
assign (resid   24   and name  HN)  (resid      24   and name  HB2 )    3.66253  0.472506  0.666253
assign (resid   24   and name  HN)  (resid      24   and name  HG# )    3.4408  0.42816  0.54408
assign (resid   24   and name  HN)  (resid      20   and name  HA )    4.9386  0.62772  0.79386
assign (resid   24   and name  HN)  (resid      23   and name  HN )    3.29096  0.298192  0.529096
assign (resid   24   and name  HN)  (resid      23   and name  HA1 )    3.03459  0.246918  0.303459
assign (resid   24   and name  HN)  (resid      24   and name  HB# )    3.01853  0.243706  0.701853
assign (resid   24   and name  HN)  (resid      24   and name  HA )    2.97237  0.434474  0.497237
assign (resid   24   and name  HN)  (resid      23   and name  HA2 )    2.88237  0.216474  0.388237
assign (resid   10   and name  HN)  (resid      11   and name  HB# )    4.88237  0.716474  0.988237
assign (resid   23   and name  HN)  (resid      13   and name  HB2 )    4.88237  0.716474  0.988237
assign (resid   10   and name  HN)  (resid      13   and name  HB2 )    4.88237  0.416474  0.788237
assign (resid   12   and name  HN)  (resid      13   and name  HB# )    4.88237  0.716474  0.988237
assign (resid   24   and name  HN)  (resid      19   and name  HB# )    4.88237  0.716474  1.088237
assign (resid   4   and name  HE21)  (resid      5   and name  HB# )    4.88237  0.716474  0.988237
assign (resid   13   and name  HN)  (resid      14   and name  HA )    4.88237  0.716474  0.988237
assign (resid   23   and name  HN)  (resid      24   and name  HA )    4.88237  0.716474  0.988237
assign (resid   18   and name  HN)  (resid      14   and name  HA )    5.5  0.2  5
assign ( resid  17  and name O   )
       ( resid  21  and name HN  ) 2.3 0.2 0.5
assign ( resid  17  and name O   )
       ( resid  21  and name N   ) 3.0 0.5 0.5
assign ( resid  14  and name O   )
       ( resid  17  and name HN  ) 2.0 0.3 0.5
assign ( resid  14  and name O   )
       ( resid  17  and name N   ) 3.0 0.5 0.5
assign ( resid  19  and name O   )
       ( resid  22  and name HN  ) 2.3 0.2 0.4
assign ( resid  19  and name O   )
       ( resid  22  and name N   ) 3.0 0.5 0.5
assign ( resid  15  and name O   )
       ( resid  18  and name HN  ) 2.3 0.2 0.5
                                  
assign ( resid   5  and name N   )
       ( resid   5  and name HN  )   4.310   1.000
                                  
assign ( resid   7  and name N   )
       ( resid   7  and name HN  ) -12.020   1.000
                                  
assign ( resid   8  and name N   )
       ( resid   8  and name HN  )   4.030   0.500
                                  
assign ( resid  10  and name N   )
       ( resid  10  and name HN  )  -9.810   0.500
                                  
assign ( resid  17  and name N   )
       ( resid  17  and name HN  )   1.860   0.500
                                  
assign ( resid  18  and name N   )
       ( resid  18  and name HN  )  -8.390   0.500
                                  
assign ( resid  20  and name N   )
       ( resid  20  and name HN  )   3.530   0.500
                                  
assign ( resid  21  and name N   )
       ( resid  21  and name HN  )  15.740   0.500
                                  
assign ( resid  22  and name N   )
       ( resid  22  and name HN  )   5.870   0.500
                                  
assign ( resid  23  and name N   )
       ( resid  23  and name HN  )  -8.570   0.500
                                  
assign ( resid   7  and name CA  )
       ( resid   7  and name HA  )   0.756   1.000
                                  
assign ( resid  11  and name CA  )
       ( resid  11  and name HA  )  -3.073   0.500
                                  
assign ( resid  13  and name CA  )
       ( resid  13  and name HA  )  -6.588   0.500
                                  
assign ( resid  14  and name CA  )
       ( resid  14  and name HA  )  -8.004   0.500
                                  
assign ( resid  15  and name CA  )
       ( resid  15  and name HA  )  -2.187   0.500
                                  
assign ( resid  16  and name CA  )
       ( resid  16  and name HA  )   7.317   0.500
                                  
assign ( resid  17  and name CA  )
       ( resid  17  and name HA  )   8.700   0.500
                                  
assign ( resid  18  and name CA  )
       ( resid  18  and name HA  )   6.983   0.500
                                  
assign ( resid  20  and name CA  )
       ( resid  20  and name HA  )  -1.058   0.500
                                  
assign ( resid  21  and name CA  )
       ( resid  21  and name HA  )  -5.314   0.500
                                  
assign ( resid  22  and name CA  )
       ( resid  22  and name HA  )  -0.119   0.500
                                  
                                  
assign ( resid   7  and name CB  )
       ( resid   7  and name HB  )  -0.500   0.500
                                  
                                  
assign ( resid  15  and name CA  )
       ( resid  15  and name CB  )  -2.250   0.500
                                  
assign ( resid  18  and name CA  )
       ( resid  18  and name CB  )   1.750   0.500

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ALA   1           HA       ALA   1  13.630  -9.536 -17.840
    2    H1   ALA   1           1HT      ALA   1  13.687 -11.443 -19.030
    3    H2   ALA   1           2HT      ALA   1  15.174 -10.693 -19.446
    4    H3   ALA   1           3HT      ALA   1  13.850 -10.640 -20.534
    5    HB1  ALA   1           3HB      ALA   1  15.245  -8.512 -20.069
    6    HB2  ALA   1           1HB      ALA   1  15.324  -8.146 -18.346
    7    HB3  ALA   1           2HB      ALA   1  14.124  -7.347 -19.362
    8    HA   PRO   2           HA       PRO   2   9.777  -9.374 -20.437
    9    HB2  PRO   2           2HB      PRO   2   8.088 -10.341 -18.567
   10    HB3  PRO   2           1HB      PRO   2   9.046 -11.400 -19.609
   11    HG2  PRO   2           2HG      PRO   2   9.572 -10.539 -16.789
   12    HG3  PRO   2           1HG      PRO   2   9.710 -12.156 -17.506
   13    HD2  PRO   2           2HD      PRO   2  11.854 -10.547 -17.102
   14    HD3  PRO   2           1HD      PRO   2  11.762 -11.701 -18.449
   15    H    MET   3           H        MET   3   8.493  -7.605 -20.463
   16    HA   MET   3           HA       MET   3   8.790  -5.657 -18.354
   17    HB2  MET   3           2HB      MET   3   7.825  -4.075 -19.748
   18    HB3  MET   3           1HB      MET   3   8.592  -5.150 -20.902
   19    HG2  MET   3           2HG      MET   3   5.662  -5.083 -20.179
   20    HG3  MET   3           1HG      MET   3   6.395  -4.480 -21.664
   21    HE1  MET   3           3HE      MET   3   4.068  -7.627 -22.129
   22    HE2  MET   3           1HE      MET   3   4.054  -6.290 -20.981
   23    HE3  MET   3           2HE      MET   3   4.504  -7.909 -20.444
   24    H    GLN   4           H        GLN   4   7.629  -5.666 -16.564
   25    HA   GLN   4           HA       GLN   4   4.961  -6.875 -16.623
   26    HB2  GLN   4           2HB      GLN   4   6.485  -7.948 -15.065
   27    HB3  GLN   4           1HB      GLN   4   6.854  -6.404 -14.307
   28    HG2  GLN   4           2HG      GLN   4   4.731  -6.229 -13.367
   29    HG3  GLN   4           1HG      GLN   4   4.084  -7.514 -14.383
   30   HE21  GLN   4          1HE2      GLN   4   5.638  -6.729 -11.456
   31   HE22  GLN   4          2HE2      GLN   4   5.823  -8.335 -10.848
   32    H    ALA   5           H        ALA   5   3.320  -5.900 -15.213
   33    HA   ALA   5           HA       ALA   5   3.344  -3.004 -15.468
   34    HB1  ALA   5           3HB      ALA   5   1.426  -4.409 -16.296
   35    HB2  ALA   5           1HB      ALA   5   0.984  -3.090 -15.212
   36    HB3  ALA   5           2HB      ALA   5   1.044  -4.746 -14.608
   37    HA   PRO   6           HA       PRO   6   4.442  -2.965 -11.075
   38    HB2  PRO   6           2HB      PRO   6   4.871  -0.312 -10.912
   39    HB3  PRO   6           1HB      PRO   6   6.046  -1.406 -11.661
   40    HG2  PRO   6           2HG      PRO   6   3.910   0.240 -12.963
   41    HG3  PRO   6           1HG      PRO   6   5.633   0.143 -13.382
   42    HD2  PRO   6           2HD      PRO   6   3.818  -1.266 -14.750
   43    HD3  PRO   6           1HD      PRO   6   5.394  -1.982 -14.346
   44    H    VAL   7           H        VAL   7   3.278  -2.725  -9.368
   45    HA   VAL   7           HA       VAL   7   0.627  -1.606  -9.631
   46    HB   VAL   7           HB       VAL   7   1.349  -2.633  -6.997
   47   HG11  VAL   7          1HG1      VAL   7  -0.850  -3.848  -7.370
   48   HG12  VAL   7          2HG1      VAL   7  -0.950  -2.963  -8.894
   49   HG13  VAL   7          3HG1      VAL   7  -0.892  -2.083  -7.366
   50   HG21  VAL   7          3HG2      VAL   7   0.887  -5.038  -7.898
   51   HG22  VAL   7          1HG2      VAL   7   2.518  -4.376  -7.854
   52   HG23  VAL   7          2HG2      VAL   7   1.610  -4.397  -9.372
   53    H    GLN   8           H        GLN   8   0.296   0.315  -9.065
   54    HA   GLN   8           HA       GLN   8   2.062   1.869  -7.500
   55    HB2  GLN   8           2HB      GLN   8   0.035   3.395  -7.233
   56    HB3  GLN   8           1HB      GLN   8   0.688   3.222  -8.850
   57    HG2  GLN   8           2HG      GLN   8  -1.716   1.728  -7.799
   58    HG3  GLN   8           1HG      GLN   8  -1.804   3.257  -8.665
   59   HE21  GLN   8          1HE2      GLN   8  -2.912   0.668  -9.382
   60   HE22  GLN   8          2HE2      GLN   8  -2.257   0.276 -10.931
   61    H    ALA   9           H        ALA   9   2.293   1.710  -5.424
   62    HA   ALA   9           HA       ALA   9   0.611   0.027  -3.893
   63    HB1  ALA   9           3HB      ALA   9   2.167   0.214  -2.216
   64    HB2  ALA   9           1HB      ALA   9   2.531   1.898  -2.594
   65    HB3  ALA   9           2HB      ALA   9   3.148   0.608  -3.627
   66    H    ALA  10           H        ALA  10  -1.206   0.509  -3.216
   67    HA   ALA  10           HA       ALA  10  -2.062   3.226  -2.661
   68    HB1  ALA  10           3HB      ALA  10  -3.378   1.328  -3.970
   69    HB2  ALA  10           1HB      ALA  10  -4.213   2.539  -2.998
   70    HB3  ALA  10           2HB      ALA  10  -3.919   0.930  -2.339
   71    HA   PRO  11           HA       PRO  11  -1.883   2.469   1.715
   72    HB2  PRO  11           2HB      PRO  11  -3.202   4.524   2.618
   73    HB3  PRO  11           1HB      PRO  11  -1.898   4.837   1.454
   74    HG2  PRO  11           2HG      PRO  11  -4.841   4.526   0.903
   75    HG3  PRO  11           1HG      PRO  11  -3.798   5.903   0.472
   76    HD2  PRO  11           2HD      PRO  11  -4.342   3.839  -1.235
   77    HD3  PRO  11           1HD      PRO  11  -2.810   4.745  -1.268
   78    H    ALA  12           H        ALA  12  -3.055   0.448   1.595
   79    HA   ALA  12           HA       ALA  12  -4.763  -1.010   2.235
   80    HB1  ALA  12           3HB      ALA  12  -4.575  -0.403   4.424
   81    HB2  ALA  12           1HB      ALA  12  -6.237   0.098   4.115
   82    HB3  ALA  12           2HB      ALA  12  -4.940   1.292   4.104
   83    H    CYS  13           H        CYS  13  -5.316   0.180  -0.091
   84    HA   CYS  13           HA       CYS  13  -8.007   1.253   0.010
   85    HB2  CYS  13           2HB      CYS  13  -6.230   2.381  -1.273
   86    HB3  CYS  13           1HB      CYS  13  -6.083   0.966  -2.288
   87    H    MET  14           H        MET  14  -9.705  -0.064  -0.396
   88    HA   MET  14           HA       MET  14  -9.412  -2.543  -2.000
   89    HB2  MET  14           2HB      MET  14 -10.724  -2.128   0.694
   90    HB3  MET  14           1HB      MET  14 -11.105  -3.503  -0.318
   91    HG2  MET  14           2HG      MET  14  -9.492  -4.537   0.752
   92    HG3  MET  14           1HG      MET  14  -8.404  -3.611  -0.277
   93    HE1  MET  14           3HE      MET  14  -9.302  -3.035   4.154
   94    HE2  MET  14           1HE      MET  14  -8.818  -4.574   3.443
   95    HE3  MET  14           2HE      MET  14 -10.332  -3.814   2.955
   96    H    ALA  15           H        ALA  15 -11.002  -2.556  -3.647
   97    HA   ALA  15           HA       ALA  15 -12.511  -0.447  -4.162
   98    HB1  ALA  15           3HB      ALA  15 -12.339  -2.055  -5.859
   99    HB2  ALA  15           1HB      ALA  15 -14.064  -1.935  -5.517
  100    HB3  ALA  15           2HB      ALA  15 -13.133  -3.290  -4.879
  101    H    SER  16           H        SER  16 -13.719  -3.293  -2.386
  102    HA   SER  16           HA       SER  16 -16.394  -2.623  -2.075
  103    HG   SER  16           HG       SER  16 -13.986  -5.286  -0.996
  104    HB2  SER  16           2HB      SER  16 -16.039  -4.011   0.150
  105    HB3  SER  16           1HB      SER  16 -15.963  -4.777  -1.437
  106    H    CYS  17           H        CYS  17 -13.666  -1.620  -0.160
  107    HA   CYS  17           HA       CYS  17 -15.278  -0.011   1.542
  108    HB2  CYS  17           2HB      CYS  17 -13.808  -1.572   2.761
  109    HB3  CYS  17           1HB      CYS  17 -12.430  -0.878   1.928
  110    H    ALA  18           H        ALA  18 -13.605   0.293  -1.239
  111    HA   ALA  18           HA       ALA  18 -12.489   2.811  -0.557
  112    HB1  ALA  18           3HB      ALA  18 -12.411   2.860  -3.258
  113    HB2  ALA  18           1HB      ALA  18 -12.580   1.128  -3.002
  114    HB3  ALA  18           2HB      ALA  18 -11.228   1.990  -2.291
  115    HA   PRO  19           HA       PRO  19 -11.990   4.536  -1.774
  116    HB2  PRO  19           2HB      PRO  19 -12.256   7.106  -2.056
  117    HB3  PRO  19           1HB      PRO  19 -12.886   6.075  -3.355
  118    HG2  PRO  19           2HG      PRO  19 -14.381   7.261  -1.011
  119    HG3  PRO  19           1HG      PRO  19 -14.782   7.401  -2.745
  120    HD2  PRO  19           2HD      PRO  19 -15.836   5.530  -1.047
  121    HD3  PRO  19           1HD      PRO  19 -15.659   5.270  -2.787
  122    H    GLN  20           H        GLN  20 -13.547   4.134   0.714
  123    HA   GLN  20           HA       GLN  20 -12.533   6.337   2.371
  124    HB2  GLN  20           2HB      GLN  20 -14.321   4.013   3.171
  125    HB3  GLN  20           1HB      GLN  20 -13.828   5.323   4.206
  126    HG2  GLN  20           2HG      GLN  20 -15.651   6.298   3.634
  127    HG3  GLN  20           1HG      GLN  20 -14.879   6.626   2.090
  128   HE21  GLN  20          1HE2      GLN  20 -17.550   6.561   1.855
  129   HE22  GLN  20          2HE2      GLN  20 -18.074   5.050   1.239
  130    H    CYS  21           H        CYS  21 -12.117   2.841   2.127
  131    HA   CYS  21           HA       CYS  21 -10.063   2.948   4.065
  132    HB2  CYS  21           2HB      CYS  21 -10.780   0.900   1.992
  133    HB3  CYS  21           1HB      CYS  21  -9.346   0.718   2.989
  134    H    CYS  22           H        CYS  22 -10.196   4.397   1.136
  135    HA   CYS  22           HA       CYS  22  -7.309   4.276   0.540
  136    HB2  CYS  22           2HB      CYS  22  -9.402   5.405  -1.287
  137    HB3  CYS  22           1HB      CYS  22  -7.806   4.780  -1.646
  138    H    GLY  23           H        GLY  23  -8.891   5.670   2.536
  139    HA2  GLY  23           2HA      GLY  23  -9.109   7.719   3.582
  140    HA3  GLY  23           1HA      GLY  23  -7.745   8.193   2.599
  141    H    ARG  24           H        ARG  24  -8.791   8.287   0.115
  142    HA   ARG  24           HA       ARG  24 -11.100  10.089   0.287
  143    HE   ARG  24           HE       ARG  24  -8.835  13.363  -2.925
  144    HB2  ARG  24           2HB      ARG  24 -10.048  11.854  -0.649
  145    HB3  ARG  24           1HB      ARG  24  -8.594  11.074  -0.052
  146    HG2  ARG  24           2HG      ARG  24  -7.948  11.462  -2.192
  147    HG3  ARG  24           1HG      ARG  24  -8.705   9.887  -2.430
  148    HD2  ARG  24           2HD      ARG  24  -9.867  10.928  -4.041
  149    HD3  ARG  24           1HD      ARG  24 -10.835  11.554  -2.707
  150   HH11  ARG  24          1HH1      ARG  24 -11.090  12.006  -5.216
  151   HH12  ARG  24          2HH1      ARG  24 -11.124  13.422  -6.212
  152   HH21  ARG  24          1HH2      ARG  24  -8.878  15.228  -4.234
  153   HH22  ARG  24          2HH2      ARG  24  -9.868  15.250  -5.655
  Start of MODEL    2
    1    HA   ALA   1           HA       ALA   1  13.398  -1.618 -21.061
    2    H1   ALA   1           1HT      ALA   1  14.706  -2.056 -23.148
    3    H2   ALA   1           2HT      ALA   1  13.186  -2.046 -23.944
    4    H3   ALA   1           3HT      ALA   1  13.491  -3.174 -22.688
    5    HB1  ALA   1           3HB      ALA   1  14.792   0.097 -21.676
    6    HB2  ALA   1           1HB      ALA   1  13.220   0.883 -21.836
    7    HB3  ALA   1           2HB      ALA   1  14.052   0.275 -23.268
    8    HA   PRO   2           HA       PRO   2   9.094  -1.917 -22.933
    9    HB2  PRO   2           2HB      PRO   2   8.119  -3.480 -20.904
   10    HB3  PRO   2           1HB      PRO   2   8.811  -4.115 -22.401
   11    HG2  PRO   2           2HG      PRO   2  10.087  -3.775 -19.720
   12    HG3  PRO   2           1HG      PRO   2  10.203  -5.137 -20.848
   13    HD2  PRO   2           2HD      PRO   2  12.163  -3.318 -20.633
   14    HD3  PRO   2           1HD      PRO   2  11.741  -4.045 -22.198
   15    H    MET   3           H        MET   3   7.614  -0.436 -22.423
   16    HA   MET   3           HA       MET   3   7.920   1.106 -19.970
   17    HB2  MET   3           2HB      MET   3   7.506   2.518 -21.850
   18    HB3  MET   3           1HB      MET   3   6.144   1.539 -22.391
   19    HG2  MET   3           2HG      MET   3   4.712   2.448 -20.834
   20    HG3  MET   3           1HG      MET   3   6.019   2.926 -19.751
   21    HE1  MET   3           3HE      MET   3   6.526   6.006 -19.837
   22    HE2  MET   3           1HE      MET   3   5.350   4.878 -19.162
   23    HE3  MET   3           2HE      MET   3   4.802   6.251 -20.126
   24    H    GLN   4           H        GLN   4   7.354  -1.003 -18.801
   25    HA   GLN   4           HA       GLN   4   4.698  -1.922 -18.757
   26    HB2  GLN   4           2HB      GLN   4   6.527  -3.278 -17.870
   27    HB3  GLN   4           1HB      GLN   4   6.835  -2.084 -16.612
   28    HG2  GLN   4           2HG      GLN   4   5.073  -2.719 -15.370
   29    HG3  GLN   4           1HG      GLN   4   4.114  -3.194 -16.770
   30   HE21  GLN   4          1HE2      GLN   4   3.599  -5.073 -15.458
   31   HE22  GLN   4          2HE2      GLN   4   4.687  -6.414 -15.440
   32    H    ALA   5           H        ALA   5   3.027  -1.558 -17.194
   33    HA   ALA   5           HA       ALA   5   3.005   1.156 -16.173
   34    HB1  ALA   5           3HB      ALA   5   0.905  -0.953 -16.548
   35    HB2  ALA   5           1HB      ALA   5   1.020   0.642 -17.290
   36    HB3  ALA   5           2HB      ALA   5   0.594   0.492 -15.585
   37    HA   PRO   6           HA       PRO   6   4.279  -0.658 -12.209
   38    HB2  PRO   6           2HB      PRO   6   4.825   1.689 -10.994
   39    HB3  PRO   6           1HB      PRO   6   5.930   0.971 -12.178
   40    HG2  PRO   6           2HG      PRO   6   3.819   3.056 -12.593
   41    HG3  PRO   6           1HG      PRO   6   5.525   3.101 -13.086
   42    HD2  PRO   6           2HD      PRO   6   3.621   2.420 -14.834
   43    HD3  PRO   6           1HD      PRO   6   5.181   1.569 -14.822
   44    H    VAL   7           H        VAL   7   3.213  -1.000 -10.384
   45    HA   VAL   7           HA       VAL   7   0.534   0.039 -10.204
   46    HB   VAL   7           HB       VAL   7   1.436  -1.480  -7.887
   47   HG11  VAL   7          1HG1      VAL   7  -0.701  -2.746  -8.432
   48   HG12  VAL   7          2HG1      VAL   7  -0.922  -1.585  -9.741
   49   HG13  VAL   7          3HG1      VAL   7  -0.855  -1.026  -8.069
   50   HG21  VAL   7          3HG2      VAL   7   1.654  -2.727 -10.581
   51   HG22  VAL   7          1HG2      VAL   7   1.106  -3.685  -9.208
   52   HG23  VAL   7          2HG2      VAL   7   2.683  -2.904  -9.155
   53    H    GLN   8           H        GLN   8   0.137   1.746  -9.291
   54    HA   GLN   8           HA       GLN   8   1.841   3.091  -7.479
   55    HB2  GLN   8           2HB      GLN   8  -0.017   4.095  -8.966
   56    HB3  GLN   8           1HB      GLN   8  -1.130   3.491  -7.737
   57    HG2  GLN   8           2HG      GLN   8  -0.561   5.834  -7.480
   58    HG3  GLN   8           1HG      GLN   8  -0.157   4.835  -6.092
   59   HE21  GLN   8          1HE2      GLN   8   1.341   6.354  -5.340
   60   HE22  GLN   8          2HE2      GLN   8   2.877   6.574  -6.100
   61    H    ALA   9           H        ALA   9   2.090   2.496  -5.441
   62    HA   ALA   9           HA       ALA   9   0.498   0.438  -4.325
   63    HB1  ALA   9           3HB      ALA   9   2.032   0.347  -2.627
   64    HB2  ALA   9           1HB      ALA   9   2.268   2.094  -2.599
   65    HB3  ALA   9           2HB      ALA   9   2.996   1.127  -3.881
   66    H    ALA  10           H        ALA  10  -1.369   0.660  -3.598
   67    HA   ALA  10           HA       ALA  10  -2.488   3.151  -2.706
   68    HB1  ALA  10           3HB      ALA  10  -4.037   0.665  -2.356
   69    HB2  ALA  10           1HB      ALA  10  -3.575   1.068  -4.010
   70    HB3  ALA  10           2HB      ALA  10  -4.517   2.212  -3.053
   71    HA   PRO  11           HA       PRO  11  -1.775   2.231   1.599
   72    HB2  PRO  11           2HB      PRO  11  -2.907   4.321   2.671
   73    HB3  PRO  11           1HB      PRO  11  -1.672   4.605   1.425
   74    HG2  PRO  11           2HG      PRO  11  -4.658   4.447   1.060
   75    HG3  PRO  11           1HG      PRO  11  -3.592   5.812   0.645
   76    HD2  PRO  11           2HD      PRO  11  -4.295   3.911  -1.161
   77    HD3  PRO  11           1HD      PRO  11  -2.696   4.699  -1.181
   78    H    ALA  12           H        ALA  12  -3.022   0.289   1.635
   79    HA   ALA  12           HA       ALA  12  -4.762  -1.089   2.374
   80    HB1  ALA  12           3HB      ALA  12  -5.507  -0.607   4.462
   81    HB2  ALA  12           1HB      ALA  12  -5.836   1.082   4.078
   82    HB3  ALA  12           2HB      ALA  12  -4.180   0.554   4.380
   83    H    CYS  13           H        CYS  13  -5.295   0.120   0.007
   84    HA   CYS  13           HA       CYS  13  -7.974   1.213   0.118
   85    HB2  CYS  13           2HB      CYS  13  -6.211   2.356  -1.158
   86    HB3  CYS  13           1HB      CYS  13  -6.028   0.939  -2.166
   87    H    MET  14           H        MET  14  -9.680  -0.090  -0.306
   88    HA   MET  14           HA       MET  14  -9.366  -2.569  -1.902
   89    HB2  MET  14           2HB      MET  14 -10.748  -2.131   0.753
   90    HB3  MET  14           1HB      MET  14 -11.107  -3.512  -0.259
   91    HG2  MET  14           2HG      MET  14  -9.533  -4.535   0.887
   92    HG3  MET  14           1HG      MET  14  -8.420  -3.654  -0.154
   93    HE1  MET  14           3HE      MET  14  -9.922  -3.363   3.836
   94    HE2  MET  14           1HE      MET  14  -8.277  -3.950   4.084
   95    HE3  MET  14           2HE      MET  14  -9.343  -4.769   2.942
   96    H    ALA  15           H        ALA  15 -10.901  -2.582  -3.594
   97    HA   ALA  15           HA       ALA  15 -12.378  -0.464  -4.161
   98    HB1  ALA  15           3HB      ALA  15 -12.166  -2.056  -5.858
   99    HB2  ALA  15           1HB      ALA  15 -13.901  -1.959  -5.558
  100    HB3  ALA  15           2HB      ALA  15 -12.968  -3.305  -4.904
  101    H    SER  16           H        SER  16 -13.653  -3.297  -2.409
  102    HA   SER  16           HA       SER  16 -16.336  -2.600  -2.198
  103    HG   SER  16           HG       SER  16 -15.174  -4.374   1.021
  104    HB2  SER  16           2HB      SER  16 -16.513  -4.292  -0.579
  105    HB3  SER  16           1HB      SER  16 -15.160  -4.794  -1.591
  106    H    CYS  17           H        CYS  17 -13.659  -1.623  -0.206
  107    HA   CYS  17           HA       CYS  17 -15.312  -0.036   1.472
  108    HB2  CYS  17           2HB      CYS  17 -13.849  -1.583   2.706
  109    HB3  CYS  17           1HB      CYS  17 -12.463  -0.873   1.900
  110    H    ALA  18           H        ALA  18 -13.573   0.286  -1.278
  111    HA   ALA  18           HA       ALA  18 -12.480   2.805  -0.569
  112    HB1  ALA  18           3HB      ALA  18 -11.161   1.971  -2.243
  113    HB2  ALA  18           1HB      ALA  18 -12.293   2.862  -3.253
  114    HB3  ALA  18           2HB      ALA  18 -12.491   1.131  -3.018
  115    HA   PRO  19           HA       PRO  19 -11.921   4.514  -1.796
  116    HB2  PRO  19           2HB      PRO  19 -12.150   7.082  -2.107
  117    HB3  PRO  19           1HB      PRO  19 -12.760   6.047  -3.412
  118    HG2  PRO  19           2HG      PRO  19 -14.296   7.273  -1.117
  119    HG3  PRO  19           1HG      PRO  19 -14.654   7.399  -2.861
  120    HD2  PRO  19           2HD      PRO  19 -15.771   5.557  -1.171
  121    HD3  PRO  19           1HD      PRO  19 -15.556   5.278  -2.903
  122    H    GLN  20           H        GLN  20 -13.539   4.152   0.660
  123    HA   GLN  20           HA       GLN  20 -12.532   6.356   2.317
  124    HB2  GLN  20           2HB      GLN  20 -14.364   4.058   3.091
  125    HB3  GLN  20           1HB      GLN  20 -13.872   5.363   4.135
  126    HG2  GLN  20           2HG      GLN  20 -15.666   6.366   3.524
  127    HG3  GLN  20           1HG      GLN  20 -14.862   6.675   1.994
  128   HE21  GLN  20          1HE2      GLN  20 -17.526   6.652   1.704
  129   HE22  GLN  20          2HE2      GLN  20 -18.062   5.147   1.086
  130    H    CYS  21           H        CYS  21 -12.154   2.848   2.119
  131    HA   CYS  21           HA       CYS  21 -10.147   2.953   4.097
  132    HB2  CYS  21           2HB      CYS  21 -10.816   0.899   2.015
  133    HB3  CYS  21           1HB      CYS  21  -9.404   0.714   3.045
  134    H    CYS  22           H        CYS  22 -10.187   4.403   1.171
  135    HA   CYS  22           HA       CYS  22  -7.294   4.230   0.634
  136    HB2  CYS  22           2HB      CYS  22  -9.332   5.382  -1.243
  137    HB3  CYS  22           1HB      CYS  22  -7.737   4.730  -1.567
  138    H    GLY  23           H        GLY  23  -8.890   5.670   2.586
  139    HA2  GLY  23           2HA      GLY  23  -9.089   7.729   3.613
  140    HA3  GLY  23           1HA      GLY  23  -7.712   8.182   2.640
  141    H    ARG  24           H        ARG  24  -8.692   8.314   0.147
  142    HA   ARG  24           HA       ARG  24 -10.956  10.178   0.306
  143    HE   ARG  24           HE       ARG  24  -5.314  10.194  -2.602
  144    HB2  ARG  24           2HB      ARG  24  -9.921  11.694  -1.192
  145    HB3  ARG  24           1HB      ARG  24  -8.706  11.300   0.013
  146    HG2  ARG  24           2HG      ARG  24  -8.762   9.745  -2.533
  147    HG3  ARG  24           1HG      ARG  24  -8.111  11.384  -2.535
  148    HD2  ARG  24           2HD      ARG  24  -6.543  10.774  -0.769
  149    HD3  ARG  24           1HD      ARG  24  -7.203   9.140  -0.735
  150   HH11  ARG  24          1HH1      ARG  24  -7.882   7.864  -2.206
  151   HH12  ARG  24          2HH1      ARG  24  -7.294   6.817  -3.454
  152   HH21  ARG  24          1HH2      ARG  24  -4.540   8.819  -4.244
  153   HH22  ARG  24          2HH2      ARG  24  -5.397   7.359  -4.611
  Start of MODEL    3
    1    HA   ALA   1           HA       ALA   1  13.546  -5.443 -19.362
    2    H1   ALA   1           1HT      ALA   1  13.974  -7.211 -20.681
    3    H2   ALA   1           2HT      ALA   1  15.381  -6.248 -20.877
    4    H3   ALA   1           3HT      ALA   1  14.171  -6.259 -22.094
    5    HB1  ALA   1           3HB      ALA   1  15.114  -3.838 -19.578
    6    HB2  ALA   1           1HB      ALA   1  13.901  -3.074 -20.605
    7    HB3  ALA   1           2HB      ALA   1  15.205  -4.014 -21.330
    8    HA   PRO   2           HA       PRO   2   9.981  -5.459 -22.338
    9    HB2  PRO   2           2HB      PRO   2   8.281  -6.919 -20.860
   10    HB3  PRO   2           1HB      PRO   2   9.533  -7.679 -21.852
   11    HG2  PRO   2           2HG      PRO   2   9.539  -7.108 -18.910
   12    HG3  PRO   2           1HG      PRO   2  10.029  -8.587 -19.760
   13    HD2  PRO   2           2HD      PRO   2  11.805  -6.716 -18.891
   14    HD3  PRO   2           1HD      PRO   2  12.090  -7.730 -20.319
   15    H    MET   3           H        MET   3   8.481  -3.866 -22.290
   16    HA   MET   3           HA       MET   3   8.339  -2.085 -20.097
   17    HB2  MET   3           2HB      MET   3   6.815  -0.783 -21.308
   18    HB3  MET   3           1HB      MET   3   7.790  -1.528 -22.559
   19    HG2  MET   3           2HG      MET   3   5.012  -2.326 -21.697
   20    HG3  MET   3           1HG      MET   3   5.475  -1.541 -23.207
   21    HE1  MET   3           3HE      MET   3   4.613  -5.431 -22.104
   22    HE2  MET   3           1HE      MET   3   4.023  -5.063 -23.725
   23    HE3  MET   3           2HE      MET   3   3.774  -3.910 -22.413
   24    H    GLN   4           H        GLN   4   7.331  -2.333 -18.227
   25    HA   GLN   4           HA       GLN   4   4.865  -3.932 -18.172
   26    HB2  GLN   4           2HB      GLN   4   6.404  -5.324 -17.091
   27    HB3  GLN   4           1HB      GLN   4   7.236  -3.983 -16.321
   28    HG2  GLN   4           2HG      GLN   4   6.079  -5.103 -14.622
   29    HG3  GLN   4           1HG      GLN   4   5.170  -3.629 -14.947
   30   HE21  GLN   4          1HE2      GLN   4   3.776  -5.367 -13.642
   31   HE22  GLN   4          2HE2      GLN   4   2.663  -6.234 -14.639
   32    H    ALA   5           H        ALA   5   3.308  -3.315 -16.536
   33    HA   ALA   5           HA       ALA   5   3.390  -0.458 -15.981
   34    HB1  ALA   5           3HB      ALA   5   1.179  -2.477 -16.118
   35    HB2  ALA   5           1HB      ALA   5   1.402  -1.009 -17.069
   36    HB3  ALA   5           2HB      ALA   5   0.937  -0.898 -15.371
   37    HA   PRO   6           HA       PRO   6   4.460  -1.668 -11.749
   38    HB2  PRO   6           2HB      PRO   6   4.955   0.833 -10.866
   39    HB3  PRO   6           1HB      PRO   6   6.105  -0.038 -11.895
   40    HG2  PRO   6           2HG      PRO   6   4.008   1.954 -12.676
   41    HG3  PRO   6           1HG      PRO   6   5.728   1.933 -13.116
   42    HD2  PRO   6           2HD      PRO   6   3.872   1.000 -14.804
   43    HD3  PRO   6           1HD      PRO   6   5.436   0.176 -14.635
   44    H    VAL   7           H        VAL   7   3.339  -1.748  -9.925
   45    HA   VAL   7           HA       VAL   7   0.660  -0.690  -9.994
   46    HB   VAL   7           HB       VAL   7   1.455  -2.003  -7.512
   47   HG11  VAL   7          1HG1      VAL   7  -0.823  -1.522  -7.804
   48   HG12  VAL   7          2HG1      VAL   7  -0.695  -3.268  -8.016
   49   HG13  VAL   7          3HG1      VAL   7  -0.852  -2.217  -9.423
   50   HG21  VAL   7          3HG2      VAL   7   1.093  -4.305  -8.678
   51   HG22  VAL   7          1HG2      VAL   7   2.692  -3.573  -8.599
   52   HG23  VAL   7          2HG2      VAL   7   1.741  -3.468 -10.087
   53    H    GLN   8           H        GLN   8   0.247   1.110  -9.231
   54    HA   GLN   8           HA       GLN   8   1.921   2.609  -7.506
   55    HB2  GLN   8           2HB      GLN   8   0.053   3.467  -9.105
   56    HB3  GLN   8           1HB      GLN   8  -1.043   3.032  -7.798
   57    HG2  GLN   8           2HG      GLN   8  -0.053   4.580  -6.340
   58    HG3  GLN   8           1HG      GLN   8   1.274   4.881  -7.465
   59   HE21  GLN   8          1HE2      GLN   8   0.037   7.037  -6.574
   60   HE22  GLN   8          2HE2      GLN   8  -1.007   7.720  -7.771
   61    H    ALA   9           H        ALA   9   2.178   2.110  -5.440
   62    HA   ALA   9           HA       ALA   9   0.502   0.221  -4.168
   63    HB1  ALA   9           3HB      ALA   9   3.023   0.785  -3.782
   64    HB2  ALA   9           1HB      ALA   9   2.025   0.215  -2.444
   65    HB3  ALA   9           2HB      ALA   9   2.381   1.935  -2.610
   66    H    ALA  10           H        ALA  10  -1.331   0.572  -3.453
   67    HA   ALA  10           HA       ALA  10  -2.320   3.168  -2.680
   68    HB1  ALA  10           3HB      ALA  10  -3.956   0.693  -2.397
   69    HB2  ALA  10           1HB      ALA  10  -3.556   1.267  -4.017
   70    HB3  ALA  10           2HB      ALA  10  -4.439   2.312  -2.903
   71    HA   PRO  11           HA       PRO  11  -1.808   2.305   1.655
   72    HB2  PRO  11           2HB      PRO  11  -3.005   4.386   2.668
   73    HB3  PRO  11           1HB      PRO  11  -1.747   4.677   1.446
   74    HG2  PRO  11           2HG      PRO  11  -4.721   4.468   1.022
   75    HG3  PRO  11           1HG      PRO  11  -3.662   5.836   0.598
   76    HD2  PRO  11           2HD      PRO  11  -4.315   3.873  -1.170
   77    HD3  PRO  11           1HD      PRO  11  -2.741   4.704  -1.199
   78    H    ALA  12           H        ALA  12  -3.044   0.333   1.617
   79    HA   ALA  12           HA       ALA  12  -4.771  -1.069   2.334
   80    HB1  ALA  12           3HB      ALA  12  -4.214   0.524   4.367
   81    HB2  ALA  12           1HB      ALA  12  -5.565  -0.607   4.415
   82    HB3  ALA  12           2HB      ALA  12  -5.851   1.094   4.052
   83    H    CYS  13           H        CYS  13  -5.311   0.138  -0.025
   84    HA   CYS  13           HA       CYS  13  -7.996   1.219   0.087
   85    HB2  CYS  13           2HB      CYS  13  -6.230   2.363  -1.189
   86    HB3  CYS  13           1HB      CYS  13  -6.058   0.949  -2.203
   87    H    MET  14           H        MET  14  -9.699  -0.089  -0.335
   88    HA   MET  14           HA       MET  14  -9.391  -2.561  -1.944
   89    HB2  MET  14           2HB      MET  14 -10.730  -2.148   0.735
   90    HB3  MET  14           1HB      MET  14 -11.128  -3.508  -0.288
   91    HG2  MET  14           2HG      MET  14  -9.330  -4.631   0.264
   92    HG3  MET  14           1HG      MET  14  -8.281  -3.228   0.075
   93    HE1  MET  14           3HE      MET  14  -7.066  -2.380   3.071
   94    HE2  MET  14           1HE      MET  14  -8.416  -1.253   2.940
   95    HE3  MET  14           2HE      MET  14  -7.571  -1.792   1.488
   96    H    ALA  15           H        ALA  15 -10.948  -2.574  -3.617
   97    HA   ALA  15           HA       ALA  15 -12.433  -0.458  -4.164
   98    HB1  ALA  15           3HB      ALA  15 -13.045  -3.297  -4.897
   99    HB2  ALA  15           1HB      ALA  15 -12.240  -2.058  -5.860
  100    HB3  ALA  15           2HB      ALA  15 -13.972  -1.944  -5.546
  101    H    SER  16           H        SER  16 -13.688  -3.293  -2.404
  102    HA   SER  16           HA       SER  16 -16.368  -2.604  -2.156
  103    HG   SER  16           HG       SER  16 -14.760  -4.720   0.831
  104    HB2  SER  16           2HB      SER  16 -16.457  -4.205  -0.347
  105    HB3  SER  16           1HB      SER  16 -15.385  -4.812  -1.608
  106    H    CYS  17           H        CYS  17 -13.672  -1.623  -0.188
  107    HA   CYS  17           HA       CYS  17 -15.311  -0.026   1.496
  108    HB2  CYS  17           2HB      CYS  17 -13.853  -1.581   2.730
  109    HB3  CYS  17           1HB      CYS  17 -12.465  -0.882   1.916
  110    H    ALA  18           H        ALA  18 -13.599   0.283  -1.264
  111    HA   ALA  18           HA       ALA  18 -12.489   2.799  -0.566
  112    HB1  ALA  18           3HB      ALA  18 -11.187   1.981  -2.260
  113    HB2  ALA  18           1HB      ALA  18 -12.351   2.836  -3.264
  114    HB3  ALA  18           2HB      ALA  18 -12.514   1.105  -2.998
  115    HA   PRO  19           HA       PRO  19 -11.948   4.509  -1.801
  116    HB2  PRO  19           2HB      PRO  19 -12.188   7.080  -2.106
  117    HB3  PRO  19           1HB      PRO  19 -12.806   6.043  -3.408
  118    HG2  PRO  19           2HG      PRO  19 -14.328   7.257  -1.098
  119    HG3  PRO  19           1HG      PRO  19 -14.700   7.389  -2.838
  120    HD2  PRO  19           2HD      PRO  19 -15.798   5.539  -1.147
  121    HD3  PRO  19           1HD      PRO  19 -15.591   5.263  -2.882
  122    H    GLN  20           H        GLN  20 -13.546   4.136   0.665
  123    HA   GLN  20           HA       GLN  20 -12.536   6.341   2.320
  124    HB2  GLN  20           2HB      GLN  20 -14.358   4.041   3.108
  125    HB3  GLN  20           1HB      GLN  20 -13.868   5.353   4.144
  126    HG2  GLN  20           2HG      GLN  20 -15.669   6.344   3.537
  127    HG3  GLN  20           1HG      GLN  20 -14.872   6.651   2.002
  128   HE21  GLN  20          1HE2      GLN  20 -17.540   6.614   1.729
  129   HE22  GLN  20          2HE2      GLN  20 -18.072   5.105   1.118
  130    H    CYS  21           H        CYS  21 -12.148   2.838   2.116
  131    HA   CYS  21           HA       CYS  21 -10.132   2.946   4.088
  132    HB2  CYS  21           2HB      CYS  21 -10.813   0.889   2.013
  133    HB3  CYS  21           1HB      CYS  21  -9.395   0.707   3.036
  134    H    CYS  22           H        CYS  22 -10.198   4.396   1.168
  135    HA   CYS  22           HA       CYS  22  -7.308   4.244   0.609
  136    HB2  CYS  22           2HB      CYS  22  -9.368   5.391  -1.248
  137    HB3  CYS  22           1HB      CYS  22  -7.773   4.745  -1.584
  138    H    GLY  23           H        GLY  23  -8.896   5.652   2.584
  139    HA2  GLY  23           2HA      GLY  23  -9.022   7.688   3.659
  140    HA3  GLY  23           1HA      GLY  23  -7.733   8.192   2.596
  141    H    ARG  24           H        ARG  24  -8.869   8.378   0.189
  142    HA   ARG  24           HA       ARG  24 -10.512  10.711   0.471
  143    HE   ARG  24           HE       ARG  24  -6.966   8.583  -3.608
  144    HB2  ARG  24           2HB      ARG  24 -10.511  10.878  -1.951
  145    HB3  ARG  24           1HB      ARG  24  -8.882  10.567  -1.381
  146    HG2  ARG  24           2HG      ARG  24 -10.624   8.306  -2.294
  147    HG3  ARG  24           1HG      ARG  24  -9.788   9.326  -3.464
  148    HD2  ARG  24           2HD      ARG  24  -7.882   8.672  -1.512
  149    HD3  ARG  24           1HD      ARG  24  -8.758   7.182  -1.854
  150   HH11  ARG  24          1HH1      ARG  24  -9.645   6.353  -3.443
  151   HH12  ARG  24          2HH1      ARG  24  -9.303   5.632  -4.979
  152   HH21  ARG  24          1HH2      ARG  24  -6.513   7.635  -5.630
  153   HH22  ARG  24          2HH2      ARG  24  -7.525   6.360  -6.221
  Start of MODEL    4
    1    HA   ALA   1           HA       ALA   1  15.814   4.143 -20.230
    2    H1   ALA   1           1HT      ALA   1  15.981   3.784 -22.407
    3    H2   ALA   1           2HT      ALA   1  16.790   5.293 -22.305
    4    H3   ALA   1           3HT      ALA   1  15.162   5.225 -22.841
    5    HB1  ALA   1           3HB      ALA   1  16.834   6.551 -20.736
    6    HB2  ALA   1           1HB      ALA   1  16.132   6.127 -19.175
    7    HB3  ALA   1           2HB      ALA   1  15.181   7.033 -20.352
    8    HA   PRO   2           HA       PRO   2  11.369   3.796 -21.775
    9    HB2  PRO   2           2HB      PRO   2  11.721   1.836 -19.534
   10    HB3  PRO   2           1HB      PRO   2  10.753   1.692 -21.007
   11    HG2  PRO   2           2HG      PRO   2  13.107   0.498 -20.863
   12    HG3  PRO   2           1HG      PRO   2  12.614   1.329 -22.350
   13    HD2  PRO   2           2HD      PRO   2  14.596   2.156 -20.291
   14    HD3  PRO   2           1HD      PRO   2  14.574   2.479 -22.036
   15    H    MET   3           H        MET   3   9.812   5.052 -20.954
   16    HA   MET   3           HA       MET   3  10.149   6.188 -18.293
   17    HB2  MET   3           2HB      MET   3   9.412   7.829 -19.868
   18    HB3  MET   3           1HB      MET   3   8.117   6.789 -20.464
   19    HG2  MET   3           2HG      MET   3   6.737   7.291 -18.725
   20    HG3  MET   3           1HG      MET   3   8.067   7.604 -17.610
   21    HE1  MET   3           3HE      MET   3   7.407  10.570 -21.049
   22    HE2  MET   3           1HE      MET   3   6.440   9.097 -20.985
   23    HE3  MET   3           2HE      MET   3   8.193   8.995 -21.145
   24    H    GLN   4           H        GLN   4   9.915   3.751 -17.645
   25    HA   GLN   4           HA       GLN   4   7.406   2.542 -17.588
   26    HB2  GLN   4           2HB      GLN   4   9.455   1.296 -17.119
   27    HB3  GLN   4           1HB      GLN   4   9.702   2.223 -15.640
   28    HG2  GLN   4           2HG      GLN   4   7.833   1.252 -14.609
   29    HG3  GLN   4           1HG      GLN   4   7.271   0.553 -16.125
   30   HE21  GLN   4          1HE2      GLN   4   7.305  -1.262 -14.370
   31   HE22  GLN   4          2HE2      GLN   4   8.715  -2.261 -14.396
   32    H    ALA   5           H        ALA   5   5.660   2.669 -16.179
   33    HA   ALA   5           HA       ALA   5   5.699   4.854 -14.258
   34    HB1  ALA   5           3HB      ALA   5   3.494   3.347 -15.628
   35    HB2  ALA   5           1HB      ALA   5   3.873   5.067 -15.714
   36    HB3  ALA   5           2HB      ALA   5   3.186   4.388 -14.239
   37    HA   PRO   6           HA       PRO   6   6.204   1.607 -11.164
   38    HB2  PRO   6           2HB      PRO   6   6.430   3.269  -9.042
   39    HB3  PRO   6           1HB      PRO   6   7.764   2.998 -10.175
   40    HG2  PRO   6           2HG      PRO   6   5.740   5.202 -10.134
   41    HG3  PRO   6           1HG      PRO   6   7.506   5.327 -10.269
   42    HD2  PRO   6           2HD      PRO   6   5.956   5.483 -12.444
   43    HD3  PRO   6           1HD      PRO   6   7.499   4.605 -12.502
   44    H    VAL   7           H        VAL   7   4.851   0.587  -9.931
   45    HA   VAL   7           HA       VAL   7   2.172   1.135 -10.062
   46    HB   VAL   7           HB       VAL   7   2.276  -0.396  -7.739
   47   HG11  VAL   7          1HG1      VAL   7   1.820  -0.966 -10.603
   48   HG12  VAL   7          2HG1      VAL   7   0.690  -0.846  -9.253
   49   HG13  VAL   7          3HG1      VAL   7   1.747  -2.252  -9.396
   50   HG21  VAL   7          3HG2      VAL   7   4.331  -1.560  -9.620
   51   HG22  VAL   7          1HG2      VAL   7   3.793  -2.183  -8.064
   52   HG23  VAL   7          2HG2      VAL   7   4.748  -0.709  -8.125
   53    H    GLN   8           H        GLN   8   0.982   2.429  -9.140
   54    HA   GLN   8           HA       GLN   8   1.833   4.052  -6.948
   55    HB2  GLN   8           2HB      GLN   8   0.083   4.621  -8.803
   56    HB3  GLN   8           1HB      GLN   8  -1.023   3.734  -7.758
   57    HG2  GLN   8           2HG      GLN   8  -0.600   5.228  -5.955
   58    HG3  GLN   8           1HG      GLN   8   0.635   6.066  -6.893
   59   HE21  GLN   8          1HE2      GLN   8  -1.711   7.197  -5.672
   60   HE22  GLN   8          2HE2      GLN   8  -2.660   7.883  -6.942
   61    H    ALA   9           H        ALA   9   2.084   3.010  -5.143
   62    HA   ALA   9           HA       ALA   9   0.584   0.716  -4.401
   63    HB1  ALA   9           3HB      ALA   9   1.778   1.061  -2.169
   64    HB2  ALA   9           1HB      ALA   9   2.617   2.394  -2.963
   65    HB3  ALA   9           2HB      ALA   9   2.781   0.752  -3.587
   66    H    ALA  10           H        ALA  10  -1.380   0.769  -3.751
   67    HA   ALA  10           HA       ALA  10  -2.690   3.079  -2.741
   68    HB1  ALA  10           3HB      ALA  10  -4.625   1.942  -3.070
   69    HB2  ALA  10           1HB      ALA  10  -3.972   0.432  -2.435
   70    HB3  ALA  10           2HB      ALA  10  -3.581   0.939  -4.078
   71    HA   PRO  11           HA       PRO  11  -1.781   2.175   1.541
   72    HB2  PRO  11           2HB      PRO  11  -2.885   4.273   2.634
   73    HB3  PRO  11           1HB      PRO  11  -1.656   4.546   1.379
   74    HG2  PRO  11           2HG      PRO  11  -4.646   4.416   1.033
   75    HG3  PRO  11           1HG      PRO  11  -3.571   5.776   0.621
   76    HD2  PRO  11           2HD      PRO  11  -4.296   3.911  -1.198
   77    HD3  PRO  11           1HD      PRO  11  -2.678   4.656  -1.206
   78    H    ALA  12           H        ALA  12  -3.046   0.243   1.601
   79    HA   ALA  12           HA       ALA  12  -4.785  -1.117   2.374
   80    HB1  ALA  12           3HB      ALA  12  -5.508  -0.615   4.463
   81    HB2  ALA  12           1HB      ALA  12  -5.837   1.071   4.066
   82    HB3  ALA  12           2HB      ALA  12  -4.181   0.543   4.361
   83    H    CYS  13           H        CYS  13  -5.326   0.083   0.002
   84    HA   CYS  13           HA       CYS  13  -7.995   1.195   0.119
   85    HB2  CYS  13           2HB      CYS  13  -6.216   2.306  -1.173
   86    HB3  CYS  13           1HB      CYS  13  -6.070   0.883  -2.176
   87    H    MET  14           H        MET  14  -9.712  -0.104  -0.285
   88    HA   MET  14           HA       MET  14  -9.423  -2.602  -1.861
   89    HB2  MET  14           2HB      MET  14 -10.788  -2.128   0.795
   90    HB3  MET  14           1HB      MET  14 -11.167  -3.513  -0.204
   91    HG2  MET  14           2HG      MET  14  -9.592  -4.550   0.924
   92    HG3  MET  14           1HG      MET  14  -8.473  -3.665  -0.110
   93    HE1  MET  14           3HE      MET  14  -9.409  -4.519   3.443
   94    HE2  MET  14           1HE      MET  14  -7.946  -3.825   4.141
   95    HE3  MET  14           2HE      MET  14  -7.831  -4.933   2.773
   96    H    ALA  15           H        ALA  15 -10.965  -2.624  -3.546
   97    HA   ALA  15           HA       ALA  15 -12.420  -0.499  -4.135
   98    HB1  ALA  15           3HB      ALA  15 -13.022  -3.342  -4.849
   99    HB2  ALA  15           1HB      ALA  15 -12.234  -2.099  -5.820
  100    HB3  ALA  15           2HB      ALA  15 -13.967  -2.006  -5.506
  101    H    SER  16           H        SER  16 -13.720  -3.297  -2.346
  102    HA   SER  16           HA       SER  16 -16.398  -2.575  -2.141
  103    HG   SER  16           HG       SER  16 -14.670  -4.489   0.860
  104    HB2  SER  16           2HB      SER  16 -16.444  -4.087  -0.172
  105    HB3  SER  16           1HB      SER  16 -15.633  -4.791  -1.570
  106    H    CYS  17           H        CYS  17 -13.708  -1.605  -0.163
  107    HA   CYS  17           HA       CYS  17 -15.340   0.019   1.502
  108    HB2  CYS  17           2HB      CYS  17 -13.890  -1.535   2.747
  109    HB3  CYS  17           1HB      CYS  17 -12.499  -0.847   1.930
  110    H    ALA  18           H        ALA  18 -13.599   0.290  -1.252
  111    HA   ALA  18           HA       ALA  18 -12.478   2.804  -0.569
  112    HB1  ALA  18           3HB      ALA  18 -12.319   2.804  -3.273
  113    HB2  ALA  18           1HB      ALA  18 -12.475   1.078  -2.973
  114    HB3  ALA  18           2HB      ALA  18 -11.161   1.977  -2.239
  115    HA   PRO  19           HA       PRO  19 -11.889   4.479  -1.815
  116    HB2  PRO  19           2HB      PRO  19 -12.071   7.041  -2.167
  117    HB3  PRO  19           1HB      PRO  19 -12.704   5.999  -3.456
  118    HG2  PRO  19           2HG      PRO  19 -14.216   7.282  -1.175
  119    HG3  PRO  19           1HG      PRO  19 -14.571   7.400  -2.921
  120    HD2  PRO  19           2HD      PRO  19 -15.722   5.594  -1.216
  121    HD3  PRO  19           1HD      PRO  19 -15.508   5.292  -2.945
  122    H    GLN  20           H        GLN  20 -13.513   4.166   0.635
  123    HA   GLN  20           HA       GLN  20 -12.493   6.377   2.275
  124    HB2  GLN  20           2HB      GLN  20 -14.352   4.105   3.063
  125    HB3  GLN  20           1HB      GLN  20 -13.853   5.415   4.095
  126    HG2  GLN  20           2HG      GLN  20 -15.635   6.428   3.464
  127    HG3  GLN  20           1HG      GLN  20 -14.817   6.716   1.937
  128   HE21  GLN  20          1HE2      GLN  20 -17.479   6.717   1.631
  129   HE22  GLN  20          2HE2      GLN  20 -18.026   5.213   1.021
  130    H    CYS  21           H        CYS  21 -12.145   2.865   2.109
  131    HA   CYS  21           HA       CYS  21 -10.144   2.968   4.095
  132    HB2  CYS  21           2HB      CYS  21 -10.826   0.904   2.028
  133    HB3  CYS  21           1HB      CYS  21  -9.415   0.716   3.061
  134    H    CYS  22           H        CYS  22 -10.169   4.401   1.166
  135    HA   CYS  22           HA       CYS  22  -7.279   4.208   0.621
  136    HB2  CYS  22           2HB      CYS  22  -9.321   5.379  -1.241
  137    HB3  CYS  22           1HB      CYS  22  -7.733   4.715  -1.577
  138    H    GLY  23           H        GLY  23  -8.858   5.643   2.587
  139    HA2  GLY  23           2HA      GLY  23  -9.096   7.694   3.617
  140    HA3  GLY  23           1HA      GLY  23  -7.646   8.113   2.743
  141    H    ARG  24           H        ARG  24  -8.327   8.499   0.246
  142    HA   ARG  24           HA       ARG  24  -9.381   9.926  -1.256
  143    HE   ARG  24           HE       ARG  24 -11.453   9.609  -4.263
  144    HB2  ARG  24           2HB      ARG  24 -11.483   8.777   0.288
  145    HB3  ARG  24           1HB      ARG  24 -11.847  10.484   0.078
  146    HG2  ARG  24           2HG      ARG  24 -11.057   8.751  -2.234
  147    HG3  ARG  24           1HG      ARG  24 -12.727   8.851  -1.668
  148    HD2  ARG  24           2HD      ARG  24 -12.940  11.069  -2.278
  149    HD3  ARG  24           1HD      ARG  24 -11.202  11.356  -2.230
  150   HH11  ARG  24          1HH1      ARG  24 -13.088  12.602  -3.520
  151   HH12  ARG  24          2HH1      ARG  24 -13.371  13.004  -5.180
  152   HH21  ARG  24          1HH2      ARG  24 -11.826  10.137  -6.448
  153   HH22  ARG  24          2HH2      ARG  24 -12.657  11.605  -6.842
  Start of MODEL    5
    1    HA   ALA   1           HA       ALA   1   3.563   2.672 -23.291
    2    H1   ALA   1           1HT      ALA   1   3.675   1.490 -25.337
    3    H2   ALA   1           2HT      ALA   1   5.257   0.938 -24.961
    4    H3   ALA   1           3HT      ALA   1   4.964   2.612 -25.210
    5    HB1  ALA   1           3HB      ALA   1   2.633   0.738 -22.671
    6    HB2  ALA   1           1HB      ALA   1   4.178   0.375 -21.896
    7    HB3  ALA   1           2HB      ALA   1   3.848  -0.211 -23.529
    8    HA   PRO   2           HA       PRO   2   7.980   3.320 -22.166
    9    HB2  PRO   2           2HB      PRO   2   7.748   5.958 -21.535
   10    HB3  PRO   2           1HB      PRO   2   8.033   5.396 -23.186
   11    HG2  PRO   2           2HG      PRO   2   5.471   6.238 -21.887
   12    HG3  PRO   2           1HG      PRO   2   6.078   6.612 -23.512
   13    HD2  PRO   2           2HD      PRO   2   4.223   4.686 -23.038
   14    HD3  PRO   2           1HD      PRO   2   5.395   4.587 -24.369
   15    H    MET   3           H        MET   3   8.839   3.491 -20.113
   16    HA   MET   3           HA       MET   3   7.236   2.658 -17.986
   17    HB2  MET   3           2HB      MET   3   9.092   2.826 -16.546
   18    HB3  MET   3           1HB      MET   3   9.778   2.438 -18.110
   19    HG2  MET   3           2HG      MET   3   9.783   5.088 -16.684
   20    HG3  MET   3           1HG      MET   3  11.164   4.073 -17.094
   21    HE1  MET   3           3HE      MET   3  12.114   6.937 -19.102
   22    HE2  MET   3           1HE      MET   3  11.680   6.573 -17.433
   23    HE3  MET   3           2HE      MET   3  10.636   7.604 -18.411
   24    H    GLN   4           H        GLN   4   5.598   3.748 -17.203
   25    HA   GLN   4           HA       GLN   4   5.552   6.612 -17.055
   26    HB2  GLN   4           2HB      GLN   4   3.279   6.327 -16.403
   27    HB3  GLN   4           1HB      GLN   4   3.587   5.208 -17.704
   28    HG2  GLN   4           2HG      GLN   4   3.844   4.277 -14.884
   29    HG3  GLN   4           1HG      GLN   4   2.241   4.483 -15.586
   30   HE21  GLN   4          1HE2      GLN   4   4.212   2.173 -14.838
   31   HE22  GLN   4          2HE2      GLN   4   4.024   1.085 -16.167
   32    H    ALA   5           H        ALA   5   3.938   6.752 -14.680
   33    HA   ALA   5           HA       ALA   5   6.017   7.006 -12.729
   34    HB1  ALA   5           3HB      ALA   5   4.059   8.603 -13.080
   35    HB2  ALA   5           1HB      ALA   5   4.458   8.171 -11.417
   36    HB3  ALA   5           2HB      ALA   5   3.085   7.410 -12.221
   37    HA   PRO   6           HA       PRO   6   5.966   2.715 -11.360
   38    HB2  PRO   6           2HB      PRO   6   6.547   4.415  -8.954
   39    HB3  PRO   6           1HB      PRO   6   7.228   2.836  -9.381
   40    HG2  PRO   6           2HG      PRO   6   8.562   5.066  -9.957
   41    HG3  PRO   6           1HG      PRO   6   8.525   3.700 -11.088
   42    HD2  PRO   6           2HD      PRO   6   7.250   6.350 -11.335
   43    HD3  PRO   6           1HD      PRO   6   7.608   5.152 -12.592
   44    H    VAL   7           H        VAL   7   4.562   1.429 -10.483
   45    HA   VAL   7           HA       VAL   7   2.019   1.943 -10.165
   46    HB   VAL   7           HB       VAL   7   2.253   0.213  -7.992
   47   HG11  VAL   7          1HG1      VAL   7   1.706  -1.509  -9.788
   48   HG12  VAL   7          2HG1      VAL   7   1.694  -0.121 -10.879
   49   HG13  VAL   7          3HG1      VAL   7   0.614  -0.157  -9.482
   50   HG21  VAL   7          3HG2      VAL   7   4.740   0.088  -8.618
   51   HG22  VAL   7          1HG2      VAL   7   4.199  -0.811 -10.041
   52   HG23  VAL   7          2HG2      VAL   7   3.853  -1.419  -8.425
   53    H    GLN   8           H        GLN   8   0.841   3.134  -9.098
   54    HA   GLN   8           HA       GLN   8   1.714   4.545  -6.772
   55    HB2  GLN   8           2HB      GLN   8  -0.064   5.282  -8.538
   56    HB3  GLN   8           1HB      GLN   8  -1.151   4.283  -7.579
   57    HG2  GLN   8           2HG      GLN   8  -0.723   5.587  -5.638
   58    HG3  GLN   8           1HG      GLN   8   0.498   6.526  -6.494
   59   HE21  GLN   8          1HE2      GLN   8  -0.677   8.421  -5.932
   60   HE22  GLN   8          2HE2      GLN   8  -2.093   8.876  -6.812
   61    H    ALA   9           H        ALA   9   1.993   3.334  -5.075
   62    HA   ALA   9           HA       ALA   9   0.534   0.953  -4.565
   63    HB1  ALA   9           3HB      ALA   9   2.117   2.330  -2.439
   64    HB2  ALA   9           1HB      ALA   9   2.941   1.612  -3.823
   65    HB3  ALA   9           2HB      ALA   9   1.945   0.607  -2.770
   66    H    ALA  10           H        ALA  10  -1.419   0.901  -3.914
   67    HA   ALA  10           HA       ALA  10  -2.839   3.050  -2.768
   68    HB1  ALA  10           3HB      ALA  10  -4.658   1.827  -3.232
   69    HB2  ALA  10           1HB      ALA  10  -4.023   0.400  -2.413
   70    HB3  ALA  10           2HB      ALA  10  -3.539   0.755  -4.072
   71    HA   PRO  11           HA       PRO  11  -1.736   2.120   1.474
   72    HB2  PRO  11           2HB      PRO  11  -2.783   4.227   2.607
   73    HB3  PRO  11           1HB      PRO  11  -1.582   4.492   1.325
   74    HG2  PRO  11           2HG      PRO  11  -4.581   4.404   1.051
   75    HG3  PRO  11           1HG      PRO  11  -3.499   5.753   0.622
   76    HD2  PRO  11           2HD      PRO  11  -4.293   3.910  -1.191
   77    HD3  PRO  11           1HD      PRO  11  -2.663   4.630  -1.234
   78    H    ALA  12           H        ALA  12  -3.017   0.206   1.581
   79    HA   ALA  12           HA       ALA  12  -4.754  -1.133   2.396
   80    HB1  ALA  12           3HB      ALA  12  -5.955  -0.233   4.351
   81    HB2  ALA  12           1HB      ALA  12  -5.205   1.335   4.064
   82    HB3  ALA  12           2HB      ALA  12  -4.205  -0.055   4.486
   83    H    CYS  13           H        CYS  13  -5.301   0.076   0.008
   84    HA   CYS  13           HA       CYS  13  -7.978   1.171   0.140
   85    HB2  CYS  13           2HB      CYS  13  -6.203   2.300  -1.154
   86    HB3  CYS  13           1HB      CYS  13  -6.057   0.882  -2.163
   87    H    MET  14           H        MET  14  -9.688  -0.133  -0.269
   88    HA   MET  14           HA       MET  14  -9.376  -2.616  -1.861
   89    HB2  MET  14           2HB      MET  14 -10.756  -2.168   0.793
   90    HB3  MET  14           1HB      MET  14 -11.131  -3.546  -0.217
   91    HG2  MET  14           2HG      MET  14  -9.557  -4.592   0.901
   92    HG3  MET  14           1HG      MET  14  -8.435  -3.691  -0.113
   93    HE1  MET  14           3HE      MET  14 -10.254  -2.152   3.587
   94    HE2  MET  14           1HE      MET  14  -9.430  -3.605   4.154
   95    HE3  MET  14           2HE      MET  14 -10.597  -3.711   2.836
   96    H    ALA  15           H        ALA  15 -10.914  -2.647  -3.552
   97    HA   ALA  15           HA       ALA  15 -12.363  -0.525  -4.148
   98    HB1  ALA  15           3HB      ALA  15 -12.153  -2.166  -5.810
   99    HB2  ALA  15           1HB      ALA  15 -13.888  -1.992  -5.549
  100    HB3  ALA  15           2HB      ALA  15 -13.025  -3.362  -4.851
  101    H    SER  16           H        SER  16 -13.677  -3.322  -2.366
  102    HA   SER  16           HA       SER  16 -16.353  -2.583  -2.175
  103    HG   SER  16           HG       SER  16 -14.006  -4.711   0.152
  104    HB2  SER  16           2HB      SER  16 -16.568  -4.275  -0.566
  105    HB3  SER  16           1HB      SER  16 -15.207  -4.795  -1.559
  106    H    CYS  17           H        CYS  17 -13.667  -1.635  -0.178
  107    HA   CYS  17           HA       CYS  17 -15.313  -0.023   1.484
  108    HB2  CYS  17           2HB      CYS  17 -13.873  -1.577   2.739
  109    HB3  CYS  17           1HB      CYS  17 -12.475  -0.885   1.935
  110    H    ALA  18           H        ALA  18 -13.580   0.260  -1.264
  111    HA   ALA  18           HA       ALA  18 -12.450   2.772  -0.569
  112    HB1  ALA  18           3HB      ALA  18 -12.287   2.767  -3.277
  113    HB2  ALA  18           1HB      ALA  18 -12.418   1.040  -2.963
  114    HB3  ALA  18           2HB      ALA  18 -11.120   1.965  -2.231
  115    HA   PRO  19           HA       PRO  19 -11.857   4.444  -1.828
  116    HB2  PRO  19           2HB      PRO  19 -12.041   7.007  -2.186
  117    HB3  PRO  19           1HB      PRO  19 -12.668   5.960  -3.474
  118    HG2  PRO  19           2HG      PRO  19 -14.189   7.249  -1.204
  119    HG3  PRO  19           1HG      PRO  19 -14.539   7.357  -2.951
  120    HD2  PRO  19           2HD      PRO  19 -15.694   5.560  -1.239
  121    HD3  PRO  19           1HD      PRO  19 -15.474   5.249  -2.966
  122    H    GLN  20           H        GLN  20 -13.492   4.144   0.625
  123    HA   GLN  20           HA       GLN  20 -12.459   6.359   2.252
  124    HB2  GLN  20           2HB      GLN  20 -14.336   4.108   3.057
  125    HB3  GLN  20           1HB      GLN  20 -13.833   5.428   4.076
  126    HG2  GLN  20           2HG      GLN  20 -15.605   6.445   3.429
  127    HG3  GLN  20           1HG      GLN  20 -14.785   6.708   1.898
  128   HE21  GLN  20          1HE2      GLN  20 -17.450   6.718   1.597
  129   HE22  GLN  20          2HE2      GLN  20 -18.004   5.209   1.004
  130    H    CYS  21           H        CYS  21 -12.135   2.842   2.116
  131    HA   CYS  21           HA       CYS  21 -10.148   2.950   4.111
  132    HB2  CYS  21           2HB      CYS  21 -10.814   0.878   2.047
  133    HB3  CYS  21           1HB      CYS  21  -9.409   0.693   3.085
  134    H    CYS  22           H        CYS  22 -10.151   4.385   1.191
  135    HA   CYS  22           HA       CYS  22  -7.263   4.188   0.651
  136    HB2  CYS  22           2HB      CYS  22  -9.305   5.374  -1.203
  137    HB3  CYS  22           1HB      CYS  22  -7.718   4.709  -1.547
  138    H    GLY  23           H        GLY  23  -8.836   5.611   2.624
  139    HA2  GLY  23           2HA      GLY  23  -9.067   7.655   3.674
  140    HA3  GLY  23           1HA      GLY  23  -7.619   8.078   2.800
  141    H    ARG  24           H        ARG  24  -8.326   8.466   0.299
  142    HA   ARG  24           HA       ARG  24  -9.412   9.873  -1.200
  143    HE   ARG  24           HE       ARG  24 -10.793   9.938  -3.803
  144    HB2  ARG  24           2HB      ARG  24 -11.490   8.870   0.500
  145    HB3  ARG  24           1HB      ARG  24 -11.802  10.568   0.169
  146    HG2  ARG  24           2HG      ARG  24 -11.089   8.748  -2.080
  147    HG3  ARG  24           1HG      ARG  24 -12.723   8.716  -1.414
  148    HD2  ARG  24           2HD      ARG  24 -13.261  10.588  -2.487
  149    HD3  ARG  24           1HD      ARG  24 -11.865  11.431  -1.817
  150   HH11  ARG  24          1HH1      ARG  24 -13.454  12.194  -3.680
  151   HH12  ARG  24          2HH1      ARG  24 -13.261  12.703  -5.324
  152   HH21  ARG  24          1HH2      ARG  24 -10.538  10.607  -5.964
  153   HH22  ARG  24          2HH2      ARG  24 -11.606  11.801  -6.621
  Start of MODEL    6
    1    HA   ALA   1           HA       ALA   1  14.288   3.011 -19.252
    2    H1   ALA   1           1HT      ALA   1  15.728   2.117 -21.117
    3    H2   ALA   1           2HT      ALA   1  14.263   2.066 -22.010
    4    H3   ALA   1           3HT      ALA   1  14.409   1.187 -20.543
    5    HB1  ALA   1           3HB      ALA   1  15.463   4.342 -21.611
    6    HB2  ALA   1           1HB      ALA   1  15.821   4.544 -19.896
    7    HB3  ALA   1           2HB      ALA   1  14.406   5.329 -20.600
    8    HA   PRO   2           HA       PRO   2  10.154   2.956 -21.380
    9    HB2  PRO   2           2HB      PRO   2   8.806   1.589 -19.502
   10    HB3  PRO   2           1HB      PRO   2   9.788   0.770 -20.724
   11    HG2  PRO   2           2HG      PRO   2  10.467   1.431 -17.882
   12    HG3  PRO   2           1HG      PRO   2  10.730  -0.083 -18.768
   13    HD2  PRO   2           2HD      PRO   2  12.686   1.767 -18.385
   14    HD3  PRO   2           1HD      PRO   2  12.622   0.711 -19.810
   15    H    MET   3           H        MET   3   8.747   4.598 -21.079
   16    HA   MET   3           HA       MET   3   9.008   6.223 -18.678
   17    HB2  MET   3           2HB      MET   3   8.810   7.589 -20.615
   18    HB3  MET   3           1HB      MET   3   7.432   6.674 -21.226
   19    HG2  MET   3           2HG      MET   3   6.863   8.906 -20.344
   20    HG3  MET   3           1HG      MET   3   6.004   7.590 -19.550
   21    HE1  MET   3           3HE      MET   3   5.376   9.565 -18.264
   22    HE2  MET   3           1HE      MET   3   6.531  10.733 -17.621
   23    HE3  MET   3           2HE      MET   3   5.902   9.451 -16.585
   24    H    GLN   4           H        GLN   4   8.196   4.745 -17.129
   25    HA   GLN   4           HA       GLN   4   5.269   4.623 -17.100
   26    HB2  GLN   4           2HB      GLN   4   5.826   2.426 -17.673
   27    HB3  GLN   4           1HB      GLN   4   7.245   2.410 -16.639
   28    HG2  GLN   4           2HG      GLN   4   6.058   1.941 -14.767
   29    HG3  GLN   4           1HG      GLN   4   4.597   2.731 -15.355
   30   HE21  GLN   4          1HE2      GLN   4   3.087   1.559 -16.417
   31   HE22  GLN   4          2HE2      GLN   4   3.196  -0.142 -16.695
   32    H    ALA   5           H        ALA   5   4.533   5.696 -15.293
   33    HA   ALA   5           HA       ALA   5   6.266   6.409 -13.162
   34    HB1  ALA   5           3HB      ALA   5   4.391   7.825 -13.946
   35    HB2  ALA   5           1HB      ALA   5   4.348   7.512 -12.211
   36    HB3  ALA   5           2HB      ALA   5   3.263   6.637 -13.292
   37    HA   PRO   6           HA       PRO   6   6.308   2.451 -11.019
   38    HB2  PRO   6           2HB      PRO   6   6.527   4.583  -8.916
   39    HB3  PRO   6           1HB      PRO   6   7.343   3.012  -8.990
   40    HG2  PRO   6           2HG      PRO   6   8.594   5.207  -9.817
   41    HG3  PRO   6           1HG      PRO   6   8.760   3.673 -10.690
   42    HD2  PRO   6           2HD      PRO   6   7.348   6.136 -11.510
   43    HD3  PRO   6           1HD      PRO   6   7.944   4.793 -12.501
   44    H    VAL   7           H        VAL   7   4.872   1.243 -10.134
   45    HA   VAL   7           HA       VAL   7   2.265   1.777 -10.099
   46    HB   VAL   7           HB       VAL   7   2.346   0.105  -7.876
   47   HG11  VAL   7          1HG1      VAL   7   1.964  -1.663  -9.698
   48   HG12  VAL   7          2HG1      VAL   7   1.963  -0.265 -10.776
   49   HG13  VAL   7          3HG1      VAL   7   0.821  -0.347  -9.432
   50   HG21  VAL   7          3HG2      VAL   7   4.451  -0.953  -9.752
   51   HG22  VAL   7          1HG2      VAL   7   3.958  -1.564  -8.176
   52   HG23  VAL   7          2HG2      VAL   7   4.865  -0.061  -8.281
   53    H    GLN   8           H        GLN   8   1.004   2.961  -9.113
   54    HA   GLN   8           HA       GLN   8   1.767   4.465  -6.805
   55    HB2  GLN   8           2HB      GLN   8   0.033   5.100  -8.656
   56    HB3  GLN   8           1HB      GLN   8  -1.065   4.118  -7.689
   57    HG2  GLN   8           2HG      GLN   8  -0.698   5.506  -5.784
   58    HG3  GLN   8           1HG      GLN   8   0.505   6.447  -6.664
   59   HE21  GLN   8          1HE2      GLN   8  -0.994   8.185  -5.897
   60   HE22  GLN   8          2HE2      GLN   8  -2.312   8.609  -6.930
   61    H    ALA   9           H        ALA   9   2.016   3.316  -5.068
   62    HA   ALA   9           HA       ALA   9   0.568   0.940  -4.500
   63    HB1  ALA   9           3HB      ALA   9   1.873   0.755  -2.549
   64    HB2  ALA   9           1HB      ALA   9   2.194   2.488  -2.502
   65    HB3  ALA   9           2HB      ALA   9   2.933   1.488  -3.753
   66    H    ALA  10           H        ALA  10  -1.405   0.898  -3.881
   67    HA   ALA  10           HA       ALA  10  -2.831   3.088  -2.792
   68    HB1  ALA  10           3HB      ALA  10  -4.007   0.413  -2.469
   69    HB2  ALA  10           1HB      ALA  10  -3.564   0.844  -4.121
   70    HB3  ALA  10           2HB      ALA  10  -4.677   1.866  -3.211
   71    HA   PRO  11           HA       PRO  11  -1.768   2.151   1.459
   72    HB2  PRO  11           2HB      PRO  11  -2.786   4.279   2.587
   73    HB3  PRO  11           1HB      PRO  11  -1.574   4.522   1.311
   74    HG2  PRO  11           2HG      PRO  11  -4.571   4.482   1.025
   75    HG3  PRO  11           1HG      PRO  11  -3.466   5.811   0.594
   76    HD2  PRO  11           2HD      PRO  11  -4.287   3.975  -1.216
   77    HD3  PRO  11           1HD      PRO  11  -2.646   4.671  -1.259
   78    H    ALA  12           H        ALA  12  -3.023   0.277   1.666
   79    HA   ALA  12           HA       ALA  12  -4.773  -1.047   2.477
   80    HB1  ALA  12           3HB      ALA  12  -4.188   0.229   4.512
   81    HB2  ALA  12           1HB      ALA  12  -5.893  -0.216   4.439
   82    HB3  ALA  12           2HB      ALA  12  -5.397   1.433   4.067
   83    H    CYS  13           H        CYS  13  -5.296   0.134   0.053
   84    HA   CYS  13           HA       CYS  13  -7.983   1.204   0.155
   85    HB2  CYS  13           2HB      CYS  13  -6.196   2.320  -1.137
   86    HB3  CYS  13           1HB      CYS  13  -6.063   0.899  -2.147
   87    H    MET  14           H        MET  14  -9.678  -0.132  -0.243
   88    HA   MET  14           HA       MET  14  -9.329  -2.638  -1.792
   89    HB2  MET  14           2HB      MET  14 -10.727  -2.155   0.848
   90    HB3  MET  14           1HB      MET  14 -11.085  -3.555  -0.137
   91    HG2  MET  14           2HG      MET  14  -9.505  -4.568   0.997
   92    HG3  MET  14           1HG      MET  14  -8.385  -3.666  -0.021
   93    HE1  MET  14           3HE      MET  14  -9.700  -2.541   4.222
   94    HE2  MET  14           1HE      MET  14  -9.400  -4.233   3.824
   95    HE3  MET  14           2HE      MET  14 -10.663  -3.339   2.979
   96    H    ALA  15           H        ALA  15 -10.879  -2.750  -3.474
   97    HA   ALA  15           HA       ALA  15 -12.318  -0.638  -4.124
   98    HB1  ALA  15           3HB      ALA  15 -13.866  -2.194  -5.470
   99    HB2  ALA  15           1HB      ALA  15 -12.884  -3.495  -4.797
  100    HB3  ALA  15           2HB      ALA  15 -12.133  -2.244  -5.788
  101    H    SER  16           H        SER  16 -13.645  -3.396  -2.280
  102    HA   SER  16           HA       SER  16 -16.326  -2.608  -2.135
  103    HG   SER  16           HG       SER  16 -16.466  -4.860  -2.415
  104    HB2  SER  16           2HB      SER  16 -14.645  -4.635  -0.929
  105    HB3  SER  16           1HB      SER  16 -15.839  -4.022   0.218
  106    H    CYS  17           H        CYS  17 -13.625  -1.668  -0.151
  107    HA   CYS  17           HA       CYS  17 -15.264  -0.077   1.537
  108    HB2  CYS  17           2HB      CYS  17 -13.780  -1.617   2.755
  109    HB3  CYS  17           1HB      CYS  17 -12.406  -0.878   1.949
  110    H    ALA  18           H        ALA  18 -13.522   0.229  -1.227
  111    HA   ALA  18           HA       ALA  18 -12.466   2.768  -0.525
  112    HB1  ALA  18           3HB      ALA  18 -12.294   2.747  -3.243
  113    HB2  ALA  18           1HB      ALA  18 -12.329   1.024  -2.896
  114    HB3  ALA  18           2HB      ALA  18 -11.091   2.034  -2.175
  115    HA   PRO  19           HA       PRO  19 -11.901   4.464  -1.845
  116    HB2  PRO  19           2HB      PRO  19 -12.199   7.021  -2.236
  117    HB3  PRO  19           1HB      PRO  19 -12.802   5.932  -3.494
  118    HG2  PRO  19           2HG      PRO  19 -14.329   7.189  -1.213
  119    HG3  PRO  19           1HG      PRO  19 -14.704   7.274  -2.955
  120    HD2  PRO  19           2HD      PRO  19 -15.781   5.450  -1.231
  121    HD3  PRO  19           1HD      PRO  19 -15.552   5.131  -2.956
  122    H    GLN  20           H        GLN  20 -13.523   4.140   0.637
  123    HA   GLN  20           HA       GLN  20 -12.500   6.364   2.259
  124    HB2  GLN  20           2HB      GLN  20 -14.343   4.094   3.075
  125    HB3  GLN  20           1HB      GLN  20 -13.861   5.430   4.081
  126    HG2  GLN  20           2HG      GLN  20 -15.655   6.411   3.436
  127    HG3  GLN  20           1HG      GLN  20 -14.854   6.671   1.896
  128   HE21  GLN  20          1HE2      GLN  20 -17.527   6.622   1.626
  129   HE22  GLN  20          2HE2      GLN  20 -18.056   5.095   1.057
  130    H    CYS  21           H        CYS  21 -12.128   2.857   2.108
  131    HA   CYS  21           HA       CYS  21 -10.155   3.002   4.123
  132    HB2  CYS  21           2HB      CYS  21 -10.786   0.904   2.078
  133    HB3  CYS  21           1HB      CYS  21  -9.379   0.748   3.118
  134    H    CYS  22           H        CYS  22 -10.139   4.451   1.216
  135    HA   CYS  22           HA       CYS  22  -7.253   4.205   0.665
  136    HB2  CYS  22           2HB      CYS  22  -9.291   5.420  -1.173
  137    HB3  CYS  22           1HB      CYS  22  -7.702   4.758  -1.523
  138    H    GLY  23           H        GLY  23  -8.735   5.698   2.671
  139    HA2  GLY  23           2HA      GLY  23  -8.914   7.794   3.663
  140    HA3  GLY  23           1HA      GLY  23  -7.379   8.052   2.859
  141    H    ARG  24           H        ARG  24  -9.002   7.778   0.244
  142    HA   ARG  24           HA       ARG  24 -10.450  10.314   0.294
  143    HE   ARG  24           HE       ARG  24  -7.682  13.723   0.314
  144    HB2  ARG  24           2HB      ARG  24  -8.525   9.928  -1.968
  145    HB3  ARG  24           1HB      ARG  24  -9.213  11.408  -1.326
  146    HG2  ARG  24           2HG      ARG  24  -7.744  10.719   0.785
  147    HG3  ARG  24           1HG      ARG  24  -6.805   9.912  -0.476
  148    HD2  ARG  24           2HD      ARG  24  -5.832  11.875  -0.855
  149    HD3  ARG  24           1HD      ARG  24  -7.368  12.414  -1.533
  150   HH11  ARG  24          1HH1      ARG  24  -5.193  11.379   1.014
  151   HH12  ARG  24          2HH1      ARG  24  -4.774  12.092   2.535
  152   HH21  ARG  24          1HH2      ARG  24  -7.133  14.662   2.315
  153   HH22  ARG  24          2HH2      ARG  24  -5.876  13.956   3.275
  Start of MODEL    7
    1    HA   ALA   1           HA       ALA   1   9.279 -10.444 -20.567
    2    H1   ALA   1           1HT      ALA   1   8.281 -11.818 -22.027
    3    H2   ALA   1           2HT      ALA   1   7.537 -10.543 -22.903
    4    H3   ALA   1           3HT      ALA   1   6.944 -10.984 -21.354
    5    HB1  ALA   1           3HB      ALA   1   9.287  -9.538 -23.352
    6    HB2  ALA   1           1HB      ALA   1  10.633  -9.905 -22.272
    7    HB3  ALA   1           2HB      ALA   1   9.840  -8.330 -22.191
    8    HA   PRO   2           HA       PRO   2   5.723  -7.598 -19.501
    9    HB2  PRO   2           2HB      PRO   2   5.810  -8.177 -16.821
   10    HB3  PRO   2           1HB      PRO   2   4.795  -9.035 -17.984
   11    HG2  PRO   2           2HG      PRO   2   7.453  -9.805 -16.856
   12    HG3  PRO   2           1HG      PRO   2   6.026 -10.815 -17.149
   13    HD2  PRO   2           2HD      PRO   2   8.139 -10.821 -18.815
   14    HD3  PRO   2           1HD      PRO   2   6.477 -11.014 -19.410
   15    H    MET   3           H        MET   3   6.025  -5.554 -18.869
   16    HA   MET   3           HA       MET   3   8.710  -4.726 -18.113
   17    HB2  MET   3           2HB      MET   3   7.774  -3.257 -19.735
   18    HB3  MET   3           1HB      MET   3   6.246  -3.127 -18.870
   19    HG2  MET   3           2HG      MET   3   8.466  -2.135 -17.293
   20    HG3  MET   3           1HG      MET   3   8.352  -1.339 -18.855
   21    HE1  MET   3           3HE      MET   3   5.838   1.258 -18.343
   22    HE2  MET   3           1HE      MET   3   6.815   0.353 -19.499
   23    HE3  MET   3           2HE      MET   3   7.581   1.128 -18.112
   24    H    GLN   4           H        GLN   4   8.423  -6.001 -16.037
   25    HA   GLN   4           HA       GLN   4   8.148  -6.134 -13.819
   26    HB2  GLN   4           2HB      GLN   4   9.646  -4.128 -14.266
   27    HB3  GLN   4           1HB      GLN   4   8.236  -3.149 -13.921
   28    HG2  GLN   4           2HG      GLN   4   8.212  -3.732 -11.694
   29    HG3  GLN   4           1HG      GLN   4   9.096  -5.229 -11.990
   30   HE21  GLN   4          1HE2      GLN   4  10.835  -5.035 -10.728
   31   HE22  GLN   4          2HE2      GLN   4  11.965  -3.729 -10.784
   32    H    ALA   5           H        ALA   5   6.876  -5.105 -11.877
   33    HA   ALA   5           HA       ALA   5   4.073  -4.947 -12.720
   34    HB1  ALA   5           3HB      ALA   5   5.131  -6.599 -10.921
   35    HB2  ALA   5           1HB      ALA   5   3.476  -6.001 -10.814
   36    HB3  ALA   5           2HB      ALA   5   4.749  -5.244  -9.859
   37    HA   PRO   6           HA       PRO   6   5.023  -0.569 -11.443
   38    HB2  PRO   6           2HB      PRO   6   3.579   0.622 -13.376
   39    HB3  PRO   6           1HB      PRO   6   5.213   0.009 -13.681
   40    HG2  PRO   6           2HG      PRO   6   2.578  -1.348 -14.193
   41    HG3  PRO   6           1HG      PRO   6   3.923  -1.097 -15.329
   42    HD2  PRO   6           2HD      PRO   6   3.640  -3.430 -14.069
   43    HD3  PRO   6           1HD      PRO   6   5.254  -2.709 -14.282
   44    H    VAL   7           H        VAL   7   3.413  -1.822  -9.786
   45    HA   VAL   7           HA       VAL   7   0.719  -0.785 -10.026
   46    HB   VAL   7           HB       VAL   7   1.455  -2.042  -7.493
   47   HG11  VAL   7          1HG1      VAL   7  -0.706  -3.340  -8.138
   48   HG12  VAL   7          2HG1      VAL   7  -0.836  -2.127  -9.411
   49   HG13  VAL   7          3HG1      VAL   7  -0.806  -1.629  -7.719
   50   HG21  VAL   7          3HG2      VAL   7   1.793  -3.537 -10.034
   51   HG22  VAL   7          1HG2      VAL   7   1.060  -4.357  -8.658
   52   HG23  VAL   7          2HG2      VAL   7   2.671  -3.664  -8.505
   53    H    GLN   8           H        GLN   8   0.240   1.036  -9.255
   54    HA   GLN   8           HA       GLN   8   1.891   2.566  -7.542
   55    HB2  GLN   8           2HB      GLN   8   0.010   3.382  -9.148
   56    HB3  GLN   8           1HB      GLN   8  -1.077   2.955  -7.831
   57    HG2  GLN   8           2HG      GLN   8  -0.083   4.526  -6.396
   58    HG3  GLN   8           1HG      GLN   8   1.225   4.829  -7.542
   59   HE21  GLN   8          1HE2      GLN   8   1.029   6.743  -8.447
   60   HE22  GLN   8          2HE2      GLN   8  -0.446   7.491  -8.946
   61    H    ALA   9           H        ALA   9   2.165   2.080  -5.477
   62    HA   ALA   9           HA       ALA   9   0.499   0.200  -4.174
   63    HB1  ALA   9           3HB      ALA   9   2.562   1.980  -2.892
   64    HB2  ALA   9           1HB      ALA   9   2.940   0.484  -3.746
   65    HB3  ALA   9           2HB      ALA   9   1.948   0.441  -2.288
   66    H    ALA  10           H        ALA  10  -1.335   0.562  -3.449
   67    HA   ALA  10           HA       ALA  10  -2.298   3.173  -2.691
   68    HB1  ALA  10           3HB      ALA  10  -3.853   0.605  -2.538
   69    HB2  ALA  10           1HB      ALA  10  -3.622   1.476  -4.054
   70    HB3  ALA  10           2HB      ALA  10  -4.464   2.251  -2.713
   71    HA   PRO  11           HA       PRO  11  -1.799   2.332   1.649
   72    HB2  PRO  11           2HB      PRO  11  -3.008   4.408   2.652
   73    HB3  PRO  11           1HB      PRO  11  -1.754   4.702   1.428
   74    HG2  PRO  11           2HG      PRO  11  -4.728   4.475   1.010
   75    HG3  PRO  11           1HG      PRO  11  -3.676   5.845   0.574
   76    HD2  PRO  11           2HD      PRO  11  -4.326   3.862  -1.177
   77    HD3  PRO  11           1HD      PRO  11  -2.759   4.708  -1.220
   78    H    ALA  12           H        ALA  12  -3.028   0.349   1.604
   79    HA   ALA  12           HA       ALA  12  -4.748  -1.060   2.325
   80    HB1  ALA  12           3HB      ALA  12  -6.144   0.004   4.221
   81    HB2  ALA  12           1HB      ALA  12  -4.979   1.322   4.115
   82    HB3  ALA  12           2HB      ALA  12  -4.431  -0.311   4.490
   83    H    CYS  13           H        CYS  13  -5.301   0.147  -0.027
   84    HA   CYS  13           HA       CYS  13  -7.989   1.218   0.094
   85    HB2  CYS  13           2HB      CYS  13  -6.228   2.374  -1.182
   86    HB3  CYS  13           1HB      CYS  13  -6.052   0.963  -2.200
   87    H    MET  14           H        MET  14  -9.689  -0.092  -0.327
   88    HA   MET  14           HA       MET  14  -9.378  -2.555  -1.948
   89    HB2  MET  14           2HB      MET  14 -10.708  -2.157   0.737
   90    HB3  MET  14           1HB      MET  14 -11.115  -3.511  -0.291
   91    HG2  MET  14           2HG      MET  14  -9.310  -4.640   0.237
   92    HG3  MET  14           1HG      MET  14  -8.263  -3.232   0.068
   93    HE1  MET  14           3HE      MET  14  -9.246  -1.385   3.381
   94    HE2  MET  14           1HE      MET  14  -9.026  -1.216   1.639
   95    HE3  MET  14           2HE      MET  14  -7.647  -1.598   2.669
   96    H    ALA  15           H        ALA  15 -10.941  -2.571  -3.616
   97    HA   ALA  15           HA       ALA  15 -12.427  -0.454  -4.155
   98    HB1  ALA  15           3HB      ALA  15 -13.044  -3.292  -4.893
   99    HB2  ALA  15           1HB      ALA  15 -12.235  -2.054  -5.854
  100    HB3  ALA  15           2HB      ALA  15 -13.967  -1.935  -5.540
  101    H    SER  16           H        SER  16 -13.680  -3.292  -2.398
  102    HA   SER  16           HA       SER  16 -16.360  -2.602  -2.148
  103    HG   SER  16           HG       SER  16 -14.423  -4.947   0.523
  104    HB2  SER  16           2HB      SER  16 -16.306  -4.103  -0.122
  105    HB3  SER  16           1HB      SER  16 -15.657  -4.810  -1.602
  106    H    CYS  17           H        CYS  17 -13.662  -1.626  -0.178
  107    HA   CYS  17           HA       CYS  17 -15.298  -0.023   1.505
  108    HB2  CYS  17           2HB      CYS  17 -13.849  -1.587   2.744
  109    HB3  CYS  17           1HB      CYS  17 -12.459  -0.893   1.933
  110    H    ALA  18           H        ALA  18 -13.594   0.280  -1.254
  111    HA   ALA  18           HA       ALA  18 -12.480   2.795  -0.550
  112    HB1  ALA  18           3HB      ALA  18 -12.507   1.099  -2.986
  113    HB2  ALA  18           1HB      ALA  18 -11.175   1.970  -2.248
  114    HB3  ALA  18           2HB      ALA  18 -12.338   2.830  -3.251
  115    HA   PRO  19           HA       PRO  19 -11.940   4.506  -1.780
  116    HB2  PRO  19           2HB      PRO  19 -12.187   7.076  -2.084
  117    HB3  PRO  19           1HB      PRO  19 -12.800   6.040  -3.387
  118    HG2  PRO  19           2HG      PRO  19 -14.328   7.247  -1.076
  119    HG3  PRO  19           1HG      PRO  19 -14.698   7.381  -2.817
  120    HD2  PRO  19           2HD      PRO  19 -15.794   5.525  -1.132
  121    HD3  PRO  19           1HD      PRO  19 -15.584   5.253  -2.866
  122    H    GLN  20           H        GLN  20 -13.538   4.123   0.681
  123    HA   GLN  20           HA       GLN  20 -12.537   6.327   2.344
  124    HB2  GLN  20           2HB      GLN  20 -14.355   4.021   3.124
  125    HB3  GLN  20           1HB      GLN  20 -13.874   5.335   4.161
  126    HG2  GLN  20           2HG      GLN  20 -15.679   6.318   3.549
  127    HG3  GLN  20           1HG      GLN  20 -14.879   6.629   2.017
  128   HE21  GLN  20          1HE2      GLN  20 -17.546   6.579   1.738
  129   HE22  GLN  20          2HE2      GLN  20 -18.068   5.067   1.124
  130    H    CYS  21           H        CYS  21 -12.135   2.830   2.117
  131    HA   CYS  21           HA       CYS  21 -10.127   2.939   4.100
  132    HB2  CYS  21           2HB      CYS  21 -10.804   0.880   2.025
  133    HB3  CYS  21           1HB      CYS  21  -9.386   0.700   3.046
  134    H    CYS  22           H        CYS  22 -10.197   4.391   1.181
  135    HA   CYS  22           HA       CYS  22  -7.304   4.250   0.622
  136    HB2  CYS  22           2HB      CYS  22  -9.368   5.394  -1.231
  137    HB3  CYS  22           1HB      CYS  22  -7.772   4.755  -1.572
  138    H    GLY  23           H        GLY  23  -8.910   5.651   2.593
  139    HA2  GLY  23           2HA      GLY  23  -9.123   7.699   3.642
  140    HA3  GLY  23           1HA      GLY  23  -7.757   8.176   2.664
  141    H    ARG  24           H        ARG  24  -8.786   8.274   0.176
  142    HA   ARG  24           HA       ARG  24 -11.111  10.049   0.335
  143    HE   ARG  24           HE       ARG  24  -7.001  12.639  -3.816
  144    HB2  ARG  24           2HB      ARG  24 -10.113  11.804  -0.751
  145    HB3  ARG  24           1HB      ARG  24  -8.736  11.176   0.136
  146    HG2  ARG  24           2HG      ARG  24  -7.619  10.660  -1.737
  147    HG3  ARG  24           1HG      ARG  24  -9.048  10.009  -2.539
  148    HD2  ARG  24           2HD      ARG  24  -9.146  11.845  -3.778
  149    HD3  ARG  24           1HD      ARG  24  -9.445  12.788  -2.319
  150   HH11  ARG  24          1HH1      ARG  24  -8.384  13.273  -0.675
  151   HH12  ARG  24          2HH1      ARG  24  -7.058  14.255  -0.151
  152   HH21  ARG  24          1HH2      ARG  24  -5.255  13.931  -3.129
  153   HH22  ARG  24          2HH2      ARG  24  -5.282  14.629  -1.544
  Start of MODEL    8
    1    HA   ALA   1           HA       ALA   1  10.266 -11.823 -19.872
    2    H1   ALA   1           1HT      ALA   1  12.778 -11.462 -19.879
    3    H2   ALA   1           2HT      ALA   1  12.031 -12.419 -21.093
    4    H3   ALA   1           3HT      ALA   1  12.843 -13.172 -19.781
    5    HB1  ALA   1           3HB      ALA   1   9.577 -13.769 -18.586
    6    HB2  ALA   1           1HB      ALA   1  11.249 -14.329 -18.508
    7    HB3  ALA   1           2HB      ALA   1  10.410 -14.265 -20.059
    8    HA   PRO   2           HA       PRO   2  12.215  -9.964 -16.093
    9    HB2  PRO   2           2HB      PRO   2  11.641  -7.403 -16.579
   10    HB3  PRO   2           1HB      PRO   2  13.008  -8.197 -17.372
   11    HG2  PRO   2           2HG      PRO   2  10.251  -7.683 -18.429
   12    HG3  PRO   2           1HG      PRO   2  11.814  -7.401 -19.221
   13    HD2  PRO   2           2HD      PRO   2  10.285  -9.606 -19.689
   14    HD3  PRO   2           1HD      PRO   2  12.056  -9.615 -19.802
   15    H    MET   3           H        MET   3  10.984 -10.125 -14.320
   16    HA   MET   3           HA       MET   3   8.092  -9.757 -14.523
   17    HB2  MET   3           2HB      MET   3   9.547 -10.449 -11.927
   18    HB3  MET   3           1HB      MET   3   7.830 -10.486 -12.239
   19    HG2  MET   3           2HG      MET   3   8.689 -12.719 -12.226
   20    HG3  MET   3           1HG      MET   3   8.112 -12.308 -13.839
   21    HE1  MET   3           3HE      MET   3  11.303 -14.815 -13.828
   22    HE2  MET   3           1HE      MET   3   9.784 -14.658 -14.710
   23    HE3  MET   3           2HE      MET   3   9.780 -14.697 -12.947
   24    H    GLN   4           H        GLN   4   7.355  -7.762 -14.565
   25    HA   GLN   4           HA       GLN   4   8.340  -5.892 -12.528
   26    HB2  GLN   4           2HB      GLN   4   9.279  -5.027 -14.484
   27    HB3  GLN   4           1HB      GLN   4   7.876  -5.433 -15.460
   28    HG2  GLN   4           2HG      GLN   4   6.838  -3.519 -14.997
   29    HG3  GLN   4           1HG      GLN   4   7.322  -3.542 -13.303
   30   HE21  GLN   4          1HE2      GLN   4   9.456  -2.800 -12.774
   31   HE22  GLN   4          2HE2      GLN   4  10.239  -1.630 -13.776
   32    H    ALA   5           H        ALA   5   6.640  -5.713 -11.101
   33    HA   ALA   5           HA       ALA   5   3.911  -5.638 -12.171
   34    HB1  ALA   5           3HB      ALA   5   4.820  -7.083 -10.120
   35    HB2  ALA   5           1HB      ALA   5   3.165  -6.483 -10.213
   36    HB3  ALA   5           2HB      ALA   5   4.363  -5.618  -9.251
   37    HA   PRO   6           HA       PRO   6   4.850  -1.151 -11.385
   38    HB2  PRO   6           2HB      PRO   6   3.351  -0.208 -13.430
   39    HB3  PRO   6           1HB      PRO   6   5.002  -0.800 -13.666
   40    HG2  PRO   6           2HG      PRO   6   2.409  -2.280 -14.029
   41    HG3  PRO   6           1HG      PRO   6   3.761  -2.130 -15.175
   42    HD2  PRO   6           2HD      PRO   6   3.524  -4.310 -13.670
   43    HD3  PRO   6           1HD      PRO   6   5.123  -3.568 -13.928
   44    H    VAL   7           H        VAL   7   3.242  -2.263  -9.603
   45    HA   VAL   7           HA       VAL   7   0.577  -1.162  -9.889
   46    HB   VAL   7           HB       VAL   7   1.270  -2.332  -7.304
   47   HG11  VAL   7          1HG1      VAL   7  -0.927  -3.521  -7.770
   48   HG12  VAL   7          2HG1      VAL   7  -1.012  -2.549  -9.240
   49   HG13  VAL   7          3HG1      VAL   7  -0.970  -1.760  -7.662
   50   HG21  VAL   7          3HG2      VAL   7   1.568  -3.942  -9.780
   51   HG22  VAL   7          1HG2      VAL   7   0.805  -4.678  -8.372
   52   HG23  VAL   7          2HG2      VAL   7   2.437  -4.030  -8.244
   53    H    GLN   8           H        GLN   8   0.186   0.742  -9.160
   54    HA   GLN   8           HA       GLN   8   1.946   2.186  -7.492
   55    HB2  GLN   8           2HB      GLN   8  -0.079   3.681  -7.114
   56    HB3  GLN   8           1HB      GLN   8   0.555   3.616  -8.746
   57    HG2  GLN   8           2HG      GLN   8  -1.829   2.042  -7.774
   58    HG3  GLN   8           1HG      GLN   8  -1.936   3.630  -8.525
   59   HE21  GLN   8          1HE2      GLN   8  -2.873   0.891  -9.321
   60   HE22  GLN   8          2HE2      GLN   8  -2.301   0.695 -10.939
   61    H    ALA   9           H        ALA   9   2.188   1.877  -5.435
   62    HA   ALA   9           HA       ALA   9   0.514   0.081  -4.023
   63    HB1  ALA   9           3HB      ALA   9   2.083   0.135  -2.355
   64    HB2  ALA   9           1HB      ALA   9   2.421   1.852  -2.578
   65    HB3  ALA   9           2HB      ALA   9   3.057   0.672  -3.724
   66    H    ALA  10           H        ALA  10  -1.307   0.520  -3.312
   67    HA   ALA  10           HA       ALA  10  -2.199   3.188  -2.649
   68    HB1  ALA  10           3HB      ALA  10  -4.311   2.461  -3.019
   69    HB2  ALA  10           1HB      ALA  10  -4.022   0.902  -2.246
   70    HB3  ALA  10           2HB      ALA  10  -3.479   1.181  -3.901
   71    HA   PRO  11           HA       PRO  11  -1.829   2.404   1.711
   72    HB2  PRO  11           2HB      PRO  11  -3.065   4.488   2.665
   73    HB3  PRO  11           1HB      PRO  11  -1.793   4.773   1.458
   74    HG2  PRO  11           2HG      PRO  11  -4.759   4.530   0.999
   75    HG3  PRO  11           1HG      PRO  11  -3.703   5.892   0.552
   76    HD2  PRO  11           2HD      PRO  11  -4.331   3.866  -1.166
   77    HD3  PRO  11           1HD      PRO  11  -2.774   4.729  -1.219
   78    H    ALA  12           H        ALA  12  -3.053   0.414   1.642
   79    HA   ALA  12           HA       ALA  12  -4.770  -0.999   2.354
   80    HB1  ALA  12           3HB      ALA  12  -5.543  -0.554   4.438
   81    HB2  ALA  12           1HB      ALA  12  -5.903   1.131   4.068
   82    HB3  ALA  12           2HB      ALA  12  -4.241   0.634   4.381
   83    H    CYS  13           H        CYS  13  -5.316   0.192  -0.008
   84    HA   CYS  13           HA       CYS  13  -8.012   1.248   0.098
   85    HB2  CYS  13           2HB      CYS  13  -6.244   2.400  -1.182
   86    HB3  CYS  13           1HB      CYS  13  -6.075   0.985  -2.195
   87    H    MET  14           H        MET  14  -9.703  -0.075  -0.312
   88    HA   MET  14           HA       MET  14  -9.374  -2.546  -1.914
   89    HB2  MET  14           2HB      MET  14 -10.712  -2.137   0.769
   90    HB3  MET  14           1HB      MET  14 -11.092  -3.512  -0.242
   91    HG2  MET  14           2HG      MET  14  -9.482  -4.554   0.826
   92    HG3  MET  14           1HG      MET  14  -8.388  -3.621  -0.189
   93    HE1  MET  14           3HE      MET  14  -6.515  -3.847   1.156
   94    HE2  MET  14           1HE      MET  14  -6.995  -4.544   2.703
   95    HE3  MET  14           2HE      MET  14  -6.162  -2.990   2.657
   96    H    ALA  15           H        ALA  15 -10.973  -2.634  -3.556
   97    HA   ALA  15           HA       ALA  15 -12.460  -0.524  -4.126
   98    HB1  ALA  15           3HB      ALA  15 -14.019  -2.040  -5.460
   99    HB2  ALA  15           1HB      ALA  15 -13.074  -3.376  -4.804
  100    HB3  ALA  15           2HB      ALA  15 -12.292  -2.147  -5.798
  101    H    SER  16           H        SER  16 -13.709  -3.336  -2.308
  102    HA   SER  16           HA       SER  16 -16.383  -2.603  -2.044
  103    HG   SER  16           HG       SER  16 -17.428  -4.598  -1.069
  104    HB2  SER  16           2HB      SER  16 -14.609  -4.577  -0.880
  105    HB3  SER  16           1HB      SER  16 -15.791  -3.992   0.295
  106    H    CYS  17           H        CYS  17 -13.640  -1.612  -0.116
  107    HA   CYS  17           HA       CYS  17 -15.266   0.002   1.565
  108    HB2  CYS  17           2HB      CYS  17 -13.804  -1.549   2.805
  109    HB3  CYS  17           1HB      CYS  17 -12.421  -0.845   1.986
  110    H    ALA  18           H        ALA  18 -13.598   0.279  -1.216
  111    HA   ALA  18           HA       ALA  18 -12.491   2.807  -0.540
  112    HB1  ALA  18           3HB      ALA  18 -11.175   2.007  -2.232
  113    HB2  ALA  18           1HB      ALA  18 -12.368   2.798  -3.253
  114    HB3  ALA  18           2HB      ALA  18 -12.478   1.071  -2.940
  115    HA   PRO  19           HA       PRO  19 -11.953   4.501  -1.796
  116    HB2  PRO  19           2HB      PRO  19 -12.209   7.065  -2.137
  117    HB3  PRO  19           1HB      PRO  19 -12.824   6.007  -3.422
  118    HG2  PRO  19           2HG      PRO  19 -14.347   7.243  -1.125
  119    HG3  PRO  19           1HG      PRO  19 -14.723   7.353  -2.867
  120    HD2  PRO  19           2HD      PRO  19 -15.809   5.517  -1.152
  121    HD3  PRO  19           1HD      PRO  19 -15.602   5.222  -2.883
  122    H    GLN  20           H        GLN  20 -13.541   4.148   0.676
  123    HA   GLN  20           HA       GLN  20 -12.540   6.380   2.303
  124    HB2  GLN  20           2HB      GLN  20 -14.351   4.084   3.125
  125    HB3  GLN  20           1HB      GLN  20 -13.876   5.419   4.137
  126    HG2  GLN  20           2HG      GLN  20 -15.683   6.383   3.509
  127    HG3  GLN  20           1HG      GLN  20 -14.890   6.669   1.970
  128   HE21  GLN  20          1HE2      GLN  20 -17.556   6.602   1.697
  129   HE22  GLN  20          2HE2      GLN  20 -18.075   5.077   1.115
  130    H    CYS  21           H        CYS  21 -12.125   2.885   2.118
  131    HA   CYS  21           HA       CYS  21 -10.119   3.033   4.106
  132    HB2  CYS  21           2HB      CYS  21 -10.789   0.937   2.066
  133    HB3  CYS  21           1HB      CYS  21  -9.367   0.781   3.084
  134    H    CYS  22           H        CYS  22 -10.198   4.453   1.177
  135    HA   CYS  22           HA       CYS  22  -7.309   4.303   0.604
  136    HB2  CYS  22           2HB      CYS  22  -9.386   5.432  -1.245
  137    HB3  CYS  22           1HB      CYS  22  -7.790   4.793  -1.592
  138    H    GLY  23           H        GLY  23  -8.901   5.720   2.575
  139    HA2  GLY  23           2HA      GLY  23  -9.099   7.777   3.611
  140    HA3  GLY  23           1HA      GLY  23  -7.742   8.244   2.614
  141    H    ARG  24           H        ARG  24  -8.827   8.283   0.134
  142    HA   ARG  24           HA       ARG  24 -11.129  10.092   0.300
  143    HE   ARG  24           HE       ARG  24  -7.003  11.947  -0.842
  144    HB2  ARG  24           2HB      ARG  24 -10.086  11.843  -0.676
  145    HB3  ARG  24           1HB      ARG  24  -8.628  11.077  -0.073
  146    HG2  ARG  24           2HG      ARG  24  -8.241  10.048  -2.244
  147    HG3  ARG  24           1HG      ARG  24  -9.752  10.729  -2.852
  148    HD2  ARG  24           2HD      ARG  24  -7.629  11.968  -3.462
  149    HD3  ARG  24           1HD      ARG  24  -8.923  12.930  -2.748
  150   HH11  ARG  24          1HH1      ARG  24  -7.782  14.525  -3.062
  151   HH12  ARG  24          2HH1      ARG  24  -6.804  15.695  -2.243
  152   HH21  ARG  24          1HH2      ARG  24  -5.716  13.485   0.237
  153   HH22  ARG  24          2HH2      ARG  24  -5.631  15.105  -0.370
  Start of MODEL    9
    1    HA   ALA   1           HA       ALA   1  14.204  -4.599 -19.203
    2    H1   ALA   1           1HT      ALA   1  14.760  -5.337 -21.974
    3    H2   ALA   1           2HT      ALA   1  14.733  -6.314 -20.564
    4    H3   ALA   1           3HT      ALA   1  16.018  -5.205 -20.818
    5    HB1  ALA   1           3HB      ALA   1  14.200  -2.215 -20.495
    6    HB2  ALA   1           1HB      ALA   1  15.579  -3.009 -21.255
    7    HB3  ALA   1           2HB      ALA   1  15.533  -2.810 -19.503
    8    HA   PRO   2           HA       PRO   2  10.477  -5.060 -21.938
    9    HB2  PRO   2           2HB      PRO   2   9.063  -6.689 -20.346
   10    HB3  PRO   2           1HB      PRO   2  10.333  -7.311 -21.409
   11    HG2  PRO   2           2HG      PRO   2  10.457  -6.686 -18.478
   12    HG3  PRO   2           1HG      PRO   2  11.052  -8.121 -19.338
   13    HD2  PRO   2           2HD      PRO   2  12.667  -6.057 -18.618
   14    HD3  PRO   2           1HD      PRO   2  12.960  -7.050 -20.061
   15    H    MET   3           H        MET   3   8.809  -3.641 -21.793
   16    HA   MET   3           HA       MET   3   8.612  -1.830 -19.655
   17    HB2  MET   3           2HB      MET   3   6.751  -0.845 -20.700
   18    HB3  MET   3           1HB      MET   3   7.697  -1.474 -22.035
   19    HG2  MET   3           2HG      MET   3   5.200  -2.669 -20.841
   20    HG3  MET   3           1HG      MET   3   5.369  -1.907 -22.423
   21    HE1  MET   3           3HE      MET   3   5.865  -4.721 -24.663
   22    HE2  MET   3           1HE      MET   3   6.787  -3.222 -24.551
   23    HE3  MET   3           2HE      MET   3   5.052  -3.216 -24.234
   24    H    GLN   4           H        GLN   4   7.871  -2.113 -17.669
   25    HA   GLN   4           HA       GLN   4   5.743  -4.099 -17.240
   26    HB2  GLN   4           2HB      GLN   4   7.613  -5.110 -16.271
   27    HB3  GLN   4           1HB      GLN   4   8.252  -3.589 -15.668
   28    HG2  GLN   4           2HG      GLN   4   7.096  -3.706 -13.770
   29    HG3  GLN   4           1HG      GLN   4   5.648  -4.315 -14.568
   30   HE21  GLN   4          1HE2      GLN   4   5.073  -6.184 -13.742
   31   HE22  GLN   4          2HE2      GLN   4   6.131  -7.472 -13.288
   32    H    ALA   5           H        ALA   5   3.932  -2.811 -16.954
   33    HA   ALA   5           HA       ALA   5   3.888  -0.242 -15.898
   34    HB1  ALA   5           3HB      ALA   5   1.519  -0.456 -15.810
   35    HB2  ALA   5           1HB      ALA   5   1.619  -2.216 -15.760
   36    HB3  ALA   5           2HB      ALA   5   2.076  -1.349 -17.226
   37    HA   PRO   6           HA       PRO   6   4.682  -1.442 -11.610
   38    HB2  PRO   6           2HB      PRO   6   5.138   1.038 -10.693
   39    HB3  PRO   6           1HB      PRO   6   6.331   0.191 -11.692
   40    HG2  PRO   6           2HG      PRO   6   4.253   2.182 -12.522
   41    HG3  PRO   6           1HG      PRO   6   5.990   2.181 -12.893
   42    HD2  PRO   6           2HD      PRO   6   4.189   1.256 -14.658
   43    HD3  PRO   6           1HD      PRO   6   5.770   0.471 -14.467
   44    H    VAL   7           H        VAL   7   3.453  -1.561  -9.885
   45    HA   VAL   7           HA       VAL   7   0.786  -0.488 -10.058
   46    HB   VAL   7           HB       VAL   7   1.493  -1.855  -7.571
   47   HG11  VAL   7          1HG1      VAL   7  -0.656  -3.083  -8.155
   48   HG12  VAL   7          2HG1      VAL   7  -0.763  -2.013  -9.552
   49   HG13  VAL   7          3HG1      VAL   7  -0.774  -1.338  -7.923
   50   HG21  VAL   7          3HG2      VAL   7   1.845  -3.256 -10.169
   51   HG22  VAL   7          1HG2      VAL   7   1.131  -4.124  -8.812
   52   HG23  VAL   7          2HG2      VAL   7   2.737  -3.420  -8.651
   53    H    GLN   8           H        GLN   8   0.327   1.287  -9.252
   54    HA   GLN   8           HA       GLN   8   1.946   2.764  -7.459
   55    HB2  GLN   8           2HB      GLN   8   0.103   3.639  -9.076
   56    HB3  GLN   8           1HB      GLN   8  -1.014   3.169  -7.799
   57    HG2  GLN   8           2HG      GLN   8  -0.045   4.687  -6.287
   58    HG3  GLN   8           1HG      GLN   8   1.278   5.037  -7.401
   59   HE21  GLN   8          1HE2      GLN   8   0.782   7.252  -7.316
   60   HE22  GLN   8          2HE2      GLN   8  -0.573   7.907  -8.165
   61    H    ALA   9           H        ALA   9   2.175   2.212  -5.407
   62    HA   ALA   9           HA       ALA   9   0.482   0.295  -4.201
   63    HB1  ALA   9           3HB      ALA   9   1.981   0.245  -2.461
   64    HB2  ALA   9           1HB      ALA   9   2.337   1.969  -2.574
   65    HB3  ALA   9           2HB      ALA   9   2.999   0.851  -3.768
   66    H    ALA  10           H        ALA  10  -1.362   0.628  -3.503
   67    HA   ALA  10           HA       ALA  10  -2.376   3.200  -2.697
   68    HB1  ALA  10           3HB      ALA  10  -3.932   0.654  -2.488
   69    HB2  ALA  10           1HB      ALA  10  -3.616   1.376  -4.064
   70    HB3  ALA  10           2HB      ALA  10  -4.503   2.284  -2.840
   71    HA   PRO  11           HA       PRO  11  -1.821   2.301   1.629
   72    HB2  PRO  11           2HB      PRO  11  -2.969   4.398   2.665
   73    HB3  PRO  11           1HB      PRO  11  -1.715   4.676   1.437
   74    HG2  PRO  11           2HG      PRO  11  -4.696   4.520   1.033
   75    HG3  PRO  11           1HG      PRO  11  -3.618   5.874   0.611
   76    HD2  PRO  11           2HD      PRO  11  -4.315   3.938  -1.169
   77    HD3  PRO  11           1HD      PRO  11  -2.725   4.740  -1.199
   78    H    ALA  12           H        ALA  12  -3.065   0.360   1.631
   79    HA   ALA  12           HA       ALA  12  -4.801  -1.023   2.358
   80    HB1  ALA  12           3HB      ALA  12  -5.567  -0.542   4.436
   81    HB2  ALA  12           1HB      ALA  12  -5.911   1.142   4.042
   82    HB3  ALA  12           2HB      ALA  12  -4.253   0.633   4.363
   83    H    CYS  13           H        CYS  13  -5.324   0.192  -0.023
   84    HA   CYS  13           HA       CYS  13  -8.018   1.251   0.081
   85    HB2  CYS  13           2HB      CYS  13  -6.240   2.399  -1.189
   86    HB3  CYS  13           1HB      CYS  13  -6.082   0.991  -2.214
   87    H    MET  14           H        MET  14  -9.705  -0.079  -0.343
   88    HA   MET  14           HA       MET  14  -9.365  -2.550  -1.947
   89    HB2  MET  14           2HB      MET  14 -10.731  -2.143   0.722
   90    HB3  MET  14           1HB      MET  14 -11.088  -3.521  -0.296
   91    HG2  MET  14           2HG      MET  14  -9.489  -4.547   0.801
   92    HG3  MET  14           1HG      MET  14  -8.387  -3.615  -0.208
   93    HE1  MET  14           3HE      MET  14  -8.499  -4.836   3.188
   94    HE2  MET  14           1HE      MET  14 -10.087  -4.070   3.187
   95    HE3  MET  14           2HE      MET  14  -8.822  -3.475   4.262
   96    H    ALA  15           H        ALA  15 -10.924  -2.590  -3.622
   97    HA   ALA  15           HA       ALA  15 -12.400  -0.472  -4.168
   98    HB1  ALA  15           3HB      ALA  15 -12.981  -3.305  -4.932
   99    HB2  ALA  15           1HB      ALA  15 -12.207  -2.037  -5.882
  100    HB3  ALA  15           2HB      ALA  15 -13.941  -1.967  -5.562
  101    H    SER  16           H        SER  16 -13.662  -3.310  -2.414
  102    HA   SER  16           HA       SER  16 -16.345  -2.604  -2.193
  103    HG   SER  16           HG       SER  16 -13.652  -4.195  -0.328
  104    HB2  SER  16           2HB      SER  16 -16.485  -4.250  -0.444
  105    HB3  SER  16           1HB      SER  16 -15.356  -4.833  -1.668
  106    H    CYS  17           H        CYS  17 -13.655  -1.658  -0.205
  107    HA   CYS  17           HA       CYS  17 -15.300  -0.089   1.498
  108    HB2  CYS  17           2HB      CYS  17 -13.819  -1.640   2.713
  109    HB3  CYS  17           1HB      CYS  17 -12.443  -0.906   1.908
  110    H    ALA  18           H        ALA  18 -13.591   0.254  -1.261
  111    HA   ALA  18           HA       ALA  18 -12.516   2.786  -0.547
  112    HB1  ALA  18           3HB      ALA  18 -12.419   2.790  -3.274
  113    HB2  ALA  18           1HB      ALA  18 -12.436   1.063  -2.938
  114    HB3  ALA  18           2HB      ALA  18 -11.184   2.075  -2.246
  115    HA   PRO  19           HA       PRO  19 -12.001   4.506  -1.848
  116    HB2  PRO  19           2HB      PRO  19 -12.329   7.067  -2.194
  117    HB3  PRO  19           1HB      PRO  19 -12.941   5.991  -3.458
  118    HG2  PRO  19           2HG      PRO  19 -14.445   7.202  -1.138
  119    HG3  PRO  19           1HG      PRO  19 -14.849   7.304  -2.872
  120    HD2  PRO  19           2HD      PRO  19 -15.879   5.448  -1.153
  121    HD3  PRO  19           1HD      PRO  19 -15.677   5.156  -2.886
  122    H    GLN  20           H        GLN  20 -13.590   4.134   0.653
  123    HA   GLN  20           HA       GLN  20 -12.557   6.342   2.289
  124    HB2  GLN  20           2HB      GLN  20 -14.376   4.054   3.108
  125    HB3  GLN  20           1HB      GLN  20 -13.884   5.382   4.122
  126    HG2  GLN  20           2HG      GLN  20 -15.691   6.361   3.514
  127    HG3  GLN  20           1HG      GLN  20 -14.916   6.640   1.964
  128   HE21  GLN  20          1HE2      GLN  20 -17.591   6.582   1.733
  129   HE22  GLN  20          2HE2      GLN  20 -18.123   5.058   1.159
  130    H    CYS  21           H        CYS  21 -12.174   2.836   2.103
  131    HA   CYS  21           HA       CYS  21 -10.176   2.964   4.085
  132    HB2  CYS  21           2HB      CYS  21 -10.825   0.892   2.018
  133    HB3  CYS  21           1HB      CYS  21  -9.406   0.725   3.040
  134    H    CYS  22           H        CYS  22 -10.208   4.429   1.179
  135    HA   CYS  22           HA       CYS  22  -7.316   4.252   0.618
  136    HB2  CYS  22           2HB      CYS  22  -9.384   5.448  -1.201
  137    HB3  CYS  22           1HB      CYS  22  -7.785   4.815  -1.563
  138    H    GLY  23           H        GLY  23  -8.830   5.661   2.640
  139    HA2  GLY  23           2HA      GLY  23  -9.086   7.734   3.677
  140    HA3  GLY  23           1HA      GLY  23  -7.545   8.044   2.904
  141    H    ARG  24           H        ARG  24  -9.106   7.810   0.251
  142    HA   ARG  24           HA       ARG  24 -10.609  10.314   0.348
  143    HE   ARG  24           HE       ARG  24  -5.255  11.442   0.375
  144    HB2  ARG  24           2HB      ARG  24  -8.665  10.024  -1.910
  145    HB3  ARG  24           1HB      ARG  24  -9.367  11.475  -1.216
  146    HG2  ARG  24           2HG      ARG  24  -7.893  10.721   0.871
  147    HG3  ARG  24           1HG      ARG  24  -6.945   9.973  -0.420
  148    HD2  ARG  24           2HD      ARG  24  -7.199  12.307  -1.557
  149    HD3  ARG  24           1HD      ARG  24  -7.536  12.858   0.083
  150   HH11  ARG  24          1HH1      ARG  24  -6.193  14.018  -1.784
  151   HH12  ARG  24          2HH1      ARG  24  -4.589  14.654  -1.925
  152   HH21  ARG  24          1HH2      ARG  24  -3.143  12.276   0.192
  153   HH22  ARG  24          2HH2      ARG  24  -2.856  13.665  -0.803
  Start of MODEL   10
    1    HA   ALA   1           HA       ALA   1  14.512  -0.673 -19.139
    2    H1   ALA   1           1HT      ALA   1  14.393  -0.210 -21.995
    3    H2   ALA   1           2HT      ALA   1  14.753  -1.634 -21.108
    4    H3   ALA   1           3HT      ALA   1  15.936  -0.403 -21.275
    5    HB1  ALA   1           3HB      ALA   1  15.788   1.589 -20.494
    6    HB2  ALA   1           1HB      ALA   1  15.984   0.992 -18.846
    7    HB3  ALA   1           2HB      ALA   1  14.627   2.046 -19.247
    8    HA   PRO   2           HA       PRO   2  10.311  -0.138 -21.212
    9    HB2  PRO   2           2HB      PRO   2   9.846  -1.499 -18.582
   10    HB3  PRO   2           1HB      PRO   2   9.016  -1.731 -20.128
   11    HG2  PRO   2           2HG      PRO   2  10.864  -3.459 -19.352
   12    HG3  PRO   2           1HG      PRO   2  10.779  -2.934 -21.044
   13    HD2  PRO   2           2HD      PRO   2  12.736  -2.191 -18.927
   14    HD3  PRO   2           1HD      PRO   2  12.967  -2.339 -20.681
   15    H    MET   3           H        MET   3   9.112   1.636 -20.894
   16    HA   MET   3           HA       MET   3   9.621   3.282 -18.541
   17    HB2  MET   3           2HB      MET   3   9.483   4.595 -20.541
   18    HB3  MET   3           1HB      MET   3   7.965   3.836 -21.025
   19    HG2  MET   3           2HG      MET   3   6.723   5.134 -19.629
   20    HG3  MET   3           1HG      MET   3   8.032   5.335 -18.465
   21    HE1  MET   3           3HE      MET   3  10.463   7.055 -19.611
   22    HE2  MET   3           1HE      MET   3   9.407   7.038 -18.199
   23    HE3  MET   3           2HE      MET   3   9.580   8.511 -19.154
   24    H    GLN   4           H        GLN   4   8.664   1.249 -17.395
   25    HA   GLN   4           HA       GLN   4   5.785   1.226 -17.258
   26    HB2  GLN   4           2HB      GLN   4   7.158  -0.850 -17.091
   27    HB3  GLN   4           1HB      GLN   4   7.791  -0.265 -15.555
   28    HG2  GLN   4           2HG      GLN   4   5.896  -0.705 -14.445
   29    HG3  GLN   4           1HG      GLN   4   4.869  -0.344 -15.828
   30   HE21  GLN   4          1HE2      GLN   4   3.844  -2.020 -16.635
   31   HE22  GLN   4          2HE2      GLN   4   4.370  -3.666 -16.581
   32    H    ALA   5           H        ALA   5   4.830   2.904 -16.124
   33    HA   ALA   5           HA       ALA   5   6.108   4.422 -14.149
   34    HB1  ALA   5           3HB      ALA   5   4.293   5.394 -15.325
   35    HB2  ALA   5           1HB      ALA   5   3.779   5.231 -13.646
   36    HB3  ALA   5           2HB      ALA   5   3.204   4.087 -14.859
   37    HA   PRO   6           HA       PRO   6   6.357   1.365 -10.832
   38    HB2  PRO   6           2HB      PRO   6   6.206   4.062  -9.524
   39    HB3  PRO   6           1HB      PRO   6   7.172   2.654  -9.055
   40    HG2  PRO   6           2HG      PRO   6   8.273   4.609 -10.468
   41    HG3  PRO   6           1HG      PRO   6   8.648   2.910 -10.811
   42    HD2  PRO   6           2HD      PRO   6   7.061   4.831 -12.411
   43    HD3  PRO   6           1HD      PRO   6   7.895   3.351 -12.915
   44    H    VAL   7           H        VAL   7   4.949   0.356  -9.682
   45    HA   VAL   7           HA       VAL   7   2.260   0.892  -9.907
   46    HB   VAL   7           HB       VAL   7   2.336  -0.579  -7.537
   47   HG11  VAL   7          1HG1      VAL   7   1.892  -1.217 -10.390
   48   HG12  VAL   7          2HG1      VAL   7   0.753  -1.056  -9.051
   49   HG13  VAL   7          3HG1      VAL   7   1.802  -2.472  -9.151
   50   HG21  VAL   7          3HG2      VAL   7   4.406  -1.777  -9.382
   51   HG22  VAL   7          1HG2      VAL   7   3.835  -2.397  -7.836
   52   HG23  VAL   7          2HG2      VAL   7   4.797  -0.927  -7.879
   53    H    GLN   8           H        GLN   8   1.047   2.201  -9.024
   54    HA   GLN   8           HA       GLN   8   1.872   3.876  -6.860
   55    HB2  GLN   8           2HB      GLN   8   0.144   4.402  -8.749
   56    HB3  GLN   8           1HB      GLN   8  -0.975   3.542  -7.697
   57    HG2  GLN   8           2HG      GLN   8  -0.549   5.075  -5.917
   58    HG3  GLN   8           1HG      GLN   8   0.669   5.901  -6.886
   59   HE21  GLN   8          1HE2      GLN   8  -0.119   7.845  -7.327
   60   HE22  GLN   8          2HE2      GLN   8  -1.689   8.175  -7.968
   61    H    ALA   9           H        ALA   9   2.102   2.876  -5.029
   62    HA   ALA   9           HA       ALA   9   0.588   0.600  -4.255
   63    HB1  ALA   9           3HB      ALA   9   1.823   0.697  -2.167
   64    HB2  ALA   9           1HB      ALA   9   2.407   2.313  -2.566
   65    HB3  ALA   9           2HB      ALA   9   2.913   0.928  -3.534
   66    H    ALA  10           H        ALA  10  -1.386   0.671  -3.628
   67    HA   ALA  10           HA       ALA  10  -2.698   3.006  -2.682
   68    HB1  ALA  10           3HB      ALA  10  -4.631   1.865  -3.002
   69    HB2  ALA  10           1HB      ALA  10  -3.988   0.371  -2.319
   70    HB3  ALA  10           2HB      ALA  10  -3.580   0.832  -3.972
   71    HA   PRO  11           HA       PRO  11  -1.818   2.208   1.627
   72    HB2  PRO  11           2HB      PRO  11  -2.918   4.338   2.659
   73    HB3  PRO  11           1HB      PRO  11  -1.682   4.573   1.404
   74    HG2  PRO  11           2HG      PRO  11  -4.670   4.446   1.046
   75    HG3  PRO  11           1HG      PRO  11  -3.588   5.791   0.605
   76    HD2  PRO  11           2HD      PRO  11  -4.311   3.881  -1.170
   77    HD3  PRO  11           1HD      PRO  11  -2.689   4.621  -1.189
   78    H    ALA  12           H        ALA  12  -3.083   0.284   1.749
   79    HA   ALA  12           HA       ALA  12  -4.835  -1.049   2.542
   80    HB1  ALA  12           3HB      ALA  12  -5.573  -0.482   4.611
   81    HB2  ALA  12           1HB      ALA  12  -5.891   1.192   4.162
   82    HB3  ALA  12           2HB      ALA  12  -4.240   0.666   4.485
   83    H    CYS  13           H        CYS  13  -5.352   0.090   0.130
   84    HA   CYS  13           HA       CYS  13  -8.021   1.210   0.196
   85    HB2  CYS  13           2HB      CYS  13  -6.229   2.287  -1.106
   86    HB3  CYS  13           1HB      CYS  13  -6.075   0.839  -2.073
   87    H    MET  14           H        MET  14  -9.733  -0.098  -0.188
   88    HA   MET  14           HA       MET  14  -9.442  -2.627  -1.714
   89    HB2  MET  14           2HB      MET  14 -10.829  -2.091   0.920
   90    HB3  MET  14           1HB      MET  14 -11.227  -3.480  -0.057
   91    HG2  MET  14           2HG      MET  14  -8.903  -2.986   1.636
   92    HG3  MET  14           1HG      MET  14  -9.788  -4.466   1.285
   93    HE1  MET  14           3HE      MET  14  -5.867  -4.895   0.368
   94    HE2  MET  14           1HE      MET  14  -7.057  -5.144   1.645
   95    HE3  MET  14           2HE      MET  14  -6.388  -3.537   1.365
   96    H    ALA  15           H        ALA  15 -10.978  -2.685  -3.404
   97    HA   ALA  15           HA       ALA  15 -12.420  -0.560  -4.037
   98    HB1  ALA  15           3HB      ALA  15 -12.233  -2.176  -5.702
   99    HB2  ALA  15           1HB      ALA  15 -13.967  -2.092  -5.388
  100    HB3  ALA  15           2HB      ALA  15 -13.012  -3.413  -4.713
  101    H    SER  16           H        SER  16 -13.725  -3.315  -2.178
  102    HA   SER  16           HA       SER  16 -16.408  -2.586  -2.022
  103    HG   SER  16           HG       SER  16 -13.708  -4.368  -0.293
  104    HB2  SER  16           2HB      SER  16 -16.509  -4.079  -0.073
  105    HB3  SER  16           1HB      SER  16 -15.575  -4.791  -1.389
  106    H    CYS  17           H        CYS  17 -13.735  -1.571  -0.048
  107    HA   CYS  17           HA       CYS  17 -15.376   0.094   1.566
  108    HB2  CYS  17           2HB      CYS  17 -13.945  -1.432   2.862
  109    HB3  CYS  17           1HB      CYS  17 -12.542  -0.774   2.038
  110    H    ALA  18           H        ALA  18 -13.616   0.298  -1.182
  111    HA   ALA  18           HA       ALA  18 -12.495   2.826  -0.551
  112    HB1  ALA  18           3HB      ALA  18 -12.308   2.784  -3.241
  113    HB2  ALA  18           1HB      ALA  18 -12.513   1.064  -2.936
  114    HB3  ALA  18           2HB      ALA  18 -11.179   1.929  -2.197
  115    HA   PRO  19           HA       PRO  19 -11.916   4.487  -1.833
  116    HB2  PRO  19           2HB      PRO  19 -12.122   7.048  -2.224
  117    HB3  PRO  19           1HB      PRO  19 -12.738   5.978  -3.498
  118    HG2  PRO  19           2HG      PRO  19 -14.268   7.287  -1.245
  119    HG3  PRO  19           1HG      PRO  19 -14.620   7.366  -2.993
  120    HD2  PRO  19           2HD      PRO  19 -15.760   5.585  -1.254
  121    HD3  PRO  19           1HD      PRO  19 -15.539   5.252  -2.977
  122    H    GLN  20           H        GLN  20 -13.547   4.217   0.629
  123    HA   GLN  20           HA       GLN  20 -12.518   6.459   2.222
  124    HB2  GLN  20           2HB      GLN  20 -14.382   4.211   3.062
  125    HB3  GLN  20           1HB      GLN  20 -13.879   5.544   4.062
  126    HG2  GLN  20           2HG      GLN  20 -15.660   6.545   3.411
  127    HG3  GLN  20           1HG      GLN  20 -14.845   6.793   1.875
  128   HE21  GLN  20          1HE2      GLN  20 -17.511   6.789   1.580
  129   HE22  GLN  20          2HE2      GLN  20 -18.060   5.270   1.008
  130    H    CYS  21           H        CYS  21 -12.181   2.943   2.132
  131    HA   CYS  21           HA       CYS  21 -10.187   3.085   4.119
  132    HB2  CYS  21           2HB      CYS  21 -10.867   0.977   2.099
  133    HB3  CYS  21           1HB      CYS  21  -9.461   0.808   3.141
  134    H    CYS  22           H        CYS  22 -10.195   4.446   1.153
  135    HA   CYS  22           HA       CYS  22  -7.303   4.231   0.633
  136    HB2  CYS  22           2HB      CYS  22  -9.327   5.358  -1.274
  137    HB3  CYS  22           1HB      CYS  22  -7.737   4.685  -1.581
  138    H    GLY  23           H        GLY  23  -8.887   5.731   2.549
  139    HA2  GLY  23           2HA      GLY  23  -9.052   7.816   3.532
  140    HA3  GLY  23           1HA      GLY  23  -7.673   8.228   2.541
  141    H    ARG  24           H        ARG  24  -8.725   8.238   0.046
  142    HA   ARG  24           HA       ARG  24 -10.982  10.108   0.146
  143    HE   ARG  24           HE       ARG  24  -6.319  11.150  -1.714
  144    HB2  ARG  24           2HB      ARG  24  -9.883  11.807  -0.856
  145    HB3  ARG  24           1HB      ARG  24  -8.447  11.009  -0.240
  146    HG2  ARG  24           2HG      ARG  24  -8.122   9.904  -2.397
  147    HG3  ARG  24           1HG      ARG  24  -9.589  10.670  -3.011
  148    HD2  ARG  24           2HD      ARG  24  -7.935  12.070  -3.812
  149    HD3  ARG  24           1HD      ARG  24  -8.420  12.879  -2.322
  150   HH11  ARG  24          1HH1      ARG  24  -6.881  14.047  -3.574
  151   HH12  ARG  24          2HH1      ARG  24  -5.261  14.631  -3.391
  152   HH21  ARG  24          1HH2      ARG  24  -4.187  11.913  -1.472
  153   HH22  ARG  24          2HH2      ARG  24  -3.731  13.418  -2.198