*HEADER    HYDROLASE                               13-NOV-06   2NVJ              
*TITLE     NMR STRUCTURES OF TRANSMEMBRANE SEGMENT FROM SUBUNIT A FROM           
*TITLE    2 THE YEAST PROTON V-ATPASE                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 25MER PEPTIDE FROM VACUOLAR ATP SYNTHASE SUBUNIT           
*COMPND   3 A, VACUOLAR ISOFORM;                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: SMTM7, V-ATPASE, V-ATPASE A SUBUNIT, VACUOLAR               
*COMPND   6 PROTON PUMP A SUBUNIT, V-ATPASE 95 KDA SUBUNIT, VACUOLAR             
*COMPND   7 PH PROTEIN 1;                                                        
*COMPND   8 EC: 3.6.3.14;                                                        
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*SOURCE   4 THIS SEQUENCE OCCURS NATURALLY IN THE YEAST.                         
*KEYWDS    ALFA HELIX, 3,10 HELIX, PI HELIX, HYDROLASE                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.A.HEMMINGA, C.P.VAN MIERLO, R.WECHSELBERGER, E.R.DE JONG,           
*AUTHOR   2 A.M.DUARTE                                                           
*REVDAT   1   02-OCT-07 2NVJ    0                                                

Assignment         w1         w2        Volume    Fit Height 

?-?      7.136     10.726   7.65e+07 el              
?-?      7.326     10.725   1.92e+07 ga       857963 
?-?      4.502      7.553   6.34e+07 ga       216515 
?-?      2.985      7.557   1.44e+06 ga        87322 
?-?      2.985      7.549   4.83e+07 ga       197313 
?-?      2.986      7.552   1.68e+07 ga       230658 
?-?      3.148      7.551   2.09e+07 ga       406845 
?-?      3.147      7.940   3.18e+07 el              
?-?      4.271      7.993   8.91e+06 ga      2905730 
?-?      7.393      8.171   4.21e+05 el              
?-?      4.251      7.548   2.83e+06 el              
?-?      4.399      7.282   2.40e+05 ga        15048 
?-?      4.314      8.179   5.91e+06 el              
?-?      4.314      8.172   1.28e+07 el              
?-?      4.281      7.893   8.73e+07 el              
?-?      4.188      7.133   1.93e+05 el              
?-?      3.147      7.557   4.55e+06 ga       126420 
?-?      4.502      7.553   1.58e+07                 
?-?      7.205      8.129   1.52e+06                 
?-?      4.658      7.200   1.22e+07                 
?-?      3.052      8.427   1.13e+07                 
?-?      3.101      7.193   3.53e+07                 
?-?      4.529      7.282   6.65e+05 ga        54971 
?-?      4.523      7.264   1.97e+06 ga        19195 
?-?      4.518      7.274   8.22e+05 ga        37657 
?-?      8.178      8.275   1.81e+05 el              
?-?      8.147      8.264   6.67e+05 ga        22579 
?-?      8.134      8.225   8.42e+06 ga        66678 
?-?      8.135      8.215   1.57e+07 ga        74654 
?-?      8.150      8.282   1.76e+05 el              
?-?      8.130      8.302   4.54e+05 el              
?-?      8.180      8.287   7.01e+05 el              
?-?      8.179      8.296   1.06e+06 el              
?-?      8.165      8.302   5.84e+05 ga        27455 
?-?      8.225      8.331   2.90e+05 el              
?-?      8.226      8.304   9.34e+06 ga        29664 
?-?      8.097      8.297   1.31e+05 el              
?-?      8.072      8.303   3.96e+05 el              
?-?      8.058      8.293   1.83e+05 el              
?-?      8.008      8.305   4.53e+05 el              
?-?      8.009      8.298   3.86e+05 ga        12973 
?-?      7.976      8.296   5.03e+05 ga        26625 
?-?      8.073      8.211   4.70e+05 ga        16250 
?-?      8.055      8.208   3.25e+05 ga        17646 
?-?      8.021      8.183   6.05e+05 el              
?-?      7.976      8.172   2.45e+07 bx              
?-?      8.003      8.098   2.66e+05 el              
?-?      7.999      8.061   2.05e+07 ga        30010 
?-?      7.997      8.037   1.29e+06 ga        61059 
?-?      7.975      8.100   1.25e+06 ga         5761 
?-?      7.974      8.082   7.49e+05 ga        20046 
?-?      7.950      8.090   6.00e+05 ga        16863 
?-?      7.969      8.134   2.45e+07 bx              
?-?      7.969      8.129   2.45e+07 bx              
?-?      8.031      8.084   5.15e+05 el              
?-?      7.668      7.721   3.46e+05 el              
?-?      7.663      7.747   1.91e+05 el              
?-?      7.664      7.741   9.08e+04 el              
?-?      7.838      7.974   7.19e+06 ga       151858 
?-?      7.838      7.970   4.12e+05 ga         6325 
?-?      7.838      7.875   8.60e+07 el              
?-?      7.305      7.851   1.35e+05 el              
?-?      7.298      7.838   3.22e+05 el              
?-?      7.268      7.843   2.95e+05 ga         5483 
?-?      7.261      7.847   3.54e+05 ga         1694 
?-?      7.259      7.838   1.99e+06 ga        11917 
?-?      7.255      7.829   1.72e+05 el              
?-?      7.264      7.786   9.07e+05 ga        10546 
?-?      7.258      7.781   2.33e+05 el              
?-?      7.240      7.778   3.52e+05 ga         7256 
?-?      7.311      7.784   3.11e+05 el              
?-?      7.305      7.786   3.11e+05 el              
?-?      7.345      7.784   3.01e+05 el              
?-?      7.228      7.869   3.81e+05 el              
?-?      4.583      7.828   7.36e+05 el              
?-?      4.576      7.837   2.54e+05 el              
?-?      4.461      7.835   2.20e+06 ga        43132 
?-?      4.462      7.825   5.42e+06 ga        58445 
?-?      7.625      7.945   1.10e+06 el              
?-?      7.718      7.947   6.34e+05 ga        28990 
?-?      7.708      7.945   1.71e+06 ga        27284 
?-?      7.666      7.946   6.01e+05 el              
?-?      7.948      8.061   9.26e+06 bx              
?-?      7.947      8.049   9.26e+06 bx              
?-?      7.947      8.039   9.26e+06 bx              
?-?      7.948      8.027   9.26e+06 bx              
?-?      7.476      7.557   1.47e+07 ga       117015 
?-?      7.476      7.552   3.77e+06 ga        63822 
?-?      7.440      7.555   7.51e+05 el              
?-?      7.420      7.559   4.84e+05 el              
?-?      7.388      7.561   2.17e+05 el              
?-?      7.380      7.552   1.71e+05 el              
?-?      7.775      8.177   1.68e+06 bx              
?-?      7.836      8.179   1.21e+06 bx              
?-?      7.905      8.098   3.02e+06 ga        28851 
?-?      4.585      7.969   1.42e+05 ga         1644 
?-?      4.576      7.973   2.74e+06 ga        35726 
?-C6HN      7.304      8.608   1.27e+06                 
?-C6HN      3.052      8.608   5.38e+06                 
?-T10HN      4.658      7.833   9.66e+07 el              
E1HA-F2H#      4.673      7.303   3.01e+06                 
E1HA-F2HN      4.674      8.428   6.29e+07                 
E1HA-C6HN      4.678      8.612   2.21e+07                 
E1HA-?      4.207      4.295   2.46e+06                 
E1HB1-HN      2.975      8.132   4.86e+07 el              
E1HB1-N5HA      2.975      4.654   5.35e+07 ga       587012 
E1HB1-N5HB#      2.975      3.086   7.26e+08                 
E1HB1-N5HN      2.975      8.124   4.86e+07 el              
E1HB1-?      2.975      7.832   1.10e+07 el              
E1HB1-?      1.809      7.882   3.15e+05 el              
E1HB1-?      1.805      4.293   2.08e+06                 
E1HB2-HN      3.105      8.129   1.86e+06 ga        22418 
E1HB2-N5HA      3.104      4.655   7.38e+07 ga       762738 
E1HB2-N5HN      3.104      8.125   3.21e+07 ga       319314 
E1HB2-?      3.103      7.832   1.03e+07 el              
E1HN-F2HN      8.129      8.428   2.13e+07                 
F2HA-E1HN      4.473      8.129   6.01e+07                 
F2HA-HN      4.472      8.426   6.80e+06                 
F2HB1-E1HA      2.724      4.675   4.90e+05 ga        23510 
F2HB1-E1HN      2.723      8.128   5.04e+06                 
F2HB1-HA      2.721      4.469   2.71e+06                 
F2HB1-HB2      2.722      2.822   6.71e+07 bx              
F2HB1-HN      2.721      8.427   1.52e+07                 
F2HB2-E1HA      2.834      4.675   3.58e+06 ga       128319 
F2HB2-E1HN      2.829      8.129   7.46e+06                 
F2HB2-HA      2.824      4.473   7.75e+06 el              
F2HB2-H#      2.818      7.303   5.74e+06                 
F2HB2-HN      2.823      8.427   1.60e+07                 
F2H#-E1HN      7.303      8.128   7.97e+05                 
F2H#-HN      7.304      8.428   6.64e+05                 
F2H#-C3HN      7.278      8.661   1.36e+06                 
F2H#-C6HN      7.277      8.608   3.01e+06                 
F2HN-C6HN      8.429      8.609   4.00e+06                 
C3HA-?      4.514      8.440   6.32e+07                 
C3HA-N5HD#      4.513      7.404   3.95e+07                 
C3HA-C6HA      4.514      4.628   3.18e+05                 
C3HA-C6HN      4.520      8.604   5.70e+05 ga        22448 
C3HA-V7HN      4.518      7.668   4.43e+07                 
C3HA-S8HN      4.516      8.026   3.94e+06 ga        78671 
C3HB1-HA      3.014      4.514   4.62e+07 ga       571492 
C3HB1-HB2      3.015      3.183   3.60e+08                 
C3HB1-?      3.015      8.441   4.81e+06                 
C3HB1-N5HD#      3.014      7.404   1.39e+06                 
C3HB1-?      3.014      8.083   2.84e+06 ga        46866 
C3HB2-HA      3.177      4.514   2.85e+07 ga       300749 
C3HB2-?      3.179      8.442   5.37e+06                 
C3HB2-N5HD#      3.179      7.406   6.15e+06                 
C3HB2-C6HA      3.180      4.630   2.85e+06 ga        33030 
C3HB2-V7HN      3.176      7.672   4.06e+05                 
C3HB2-?      3.178      8.084   9.35e+05 ga        27364 
?-C3HA      4.144      4.513   1.29e+07 ga       171766 
?-C3HN      4.145      8.660   3.60e+05                 
?-?      4.142      8.438   2.59e+07 ga       500412 
?-N5HD#      4.144      7.405   4.09e+06                 
?-N5HN      4.144      8.081   3.21e+07                 
?-S8HN      4.139      8.024   1.66e+05 ga        14832 
?-C3HA      1.466      4.513   7.60e+06 ga        79729 
?-C3HN      8.441      8.661   7.72e+06                 
?-A18HN      7.880      7.970   3.89e+07 bx              
N5HA-HN      4.658      8.124   4.41e+07 ga       481302 
N5HA-S8HN      4.658      8.028   5.63e+05                 
N5HA-H9HN      4.654      8.079   6.83e+05 ga        11888 
N5HA-?      4.656      7.969   1.14e+06                 
N5HB#-C3HA      3.087      4.515   8.84e+07 el              
N5HB#-C3HB2      3.092      3.179   6.40e+07                 
N5HB#-C3HN      3.090      8.661   2.09e+06                 
N5HB#-?      3.090      8.437   3.22e+05 ga         8899 
N5HB#-HD#      3.090      7.405   2.89e+07                 
N5HB#-V7HN      3.088      7.670   4.68e+07                 
N5HB#-S8HN      3.091      8.027   1.93e+06                 
N5HB#-H9HN      3.089      8.078   3.35e+06                 
N5HN-C3HN      8.082      8.661   4.84e+05                 
N5HN-?      8.081      8.440   4.78e+07                 
C6HA-F2H#      4.629      7.277   6.79e+06 ga       252321 
C6HA-C3HN      4.629      8.661   6.35e+07                 
C6HB1-F2H#      2.806      7.278   1.14e+07 ga       335932 
C6HB1-C3HN      2.806      8.661   1.23e+07                 
C6HB1-HA      2.805      4.629   1.66e+07 ga       539569 
C6HB1-HB2      2.806      2.983   9.62e+07 el              
C6HB1-HN      2.810      8.608   4.58e+07                 
C6HB1-H9HA      2.804      4.511   3.39e+05 ga        22912 
C6HB2-F2H#      2.979      7.277   1.01e+07 ga       288554 
C6HB2-C3HN      2.980      8.660   1.99e+07                 
C6HB2-HA      2.982      4.627   2.95e+07 bx              
C6HB2-T10HB      2.977      3.994   8.09e+05                 
C6HN-C3HN      8.608      8.657   2.25e+07                 
V7HA-C3HA      4.218      4.518   3.64e+05 ga        21838 
V7HA-N5HD#      4.218      7.407   4.32e+05                 
V7HA-HN      4.218      7.666   1.48e+07                 
V7HA-S8HN      4.218      8.028   7.11e+07                 
V7HB-C3HA      2.004      4.518   2.12e+06 ga        47996 
V7HB-N5HD#      2.004      7.406   2.54e+05                 
V7HB-HA      1.999      4.217   4.48e+07 ga       620892 
V7HB-HN      2.002      7.668   2.12e+07                 
V7HB-S8HA      2.007      4.294   4.43e+06 ga        42160 
V7HB-S8HB      2.001      3.586   1.38e+06 ga        30521 
V7HB-S8HN      2.002      8.028   1.95e+07                 
V7HB-H9HN      1.996      8.078   1.06e+06                 
V7HN-?      7.673      8.439   6.09e+05 ga        21512 
V7HN-N5HN      7.667      8.077   4.20e+05 el              
V7HN-S8HN      7.666      8.026   2.06e+07                 
S8HA-N5HA      4.294      4.653   3.94e+06 ga        91837 
S8HA-N5HN      4.293      8.124   8.45e+07 el              
S8HA-V7HN      4.287      7.662   1.28e+06 ga        34774 
S8HA-HN      4.291      8.028   1.68e+07                 
S8HA-T10HN      4.289      7.832   5.45e+07 el              
S8HB-N5HA      3.583      4.650   5.87e+06 ga        66991 
S8HB-N5HN      3.589      8.124   3.84e+07 ga       402022 
S8HB-V7HA      3.590      4.218   1.13e+07 ga       138679 
S8HB-V7HN      3.590      7.669   6.47e+05                 
S8HB-HA      3.589      4.288   6.74e+07 el              
S8HB-HN      3.590      8.027   2.85e+07                 
S8HB-T10HA      3.583      4.199   1.24e+07 ga       101949 
S8HN-A11HN      8.029      8.123   2.79e+07 bx              
H9HA-HD      4.512      6.839   9.93e+05 ga        39993 
H9HA-HE      4.513      7.357   1.72e+06 ga        51993 
H9HA-HN      4.512      8.081   3.38e+07                 
H9HB1-?      2.541      4.139   4.88e+05 el              
H9HB1-?      2.540      8.443   1.61e+06 ga        24993 
H9HB1-N5HD#      2.542      7.406   2.01e+06                 
H9HB1-HA      2.538      4.511   2.65e+07 el              
H9HB1-HB2      2.539      2.650   1.04e+08 el              
H9HB1-HD      2.542      6.839   9.22e+06 ga       188376 
H9HB1-HE      2.542      7.357   1.13e+07 ga       240878 
H9HB1-HN      2.542      8.080   4.39e+07                 
H9HB2-?      2.650      4.139   1.67e+05 el              
H9HB2-?      2.654      8.445   3.90e+05                 
H9HB2-N5HD#      2.646      7.403   1.67e+07                 
H9HB2-HA      2.649      4.509   3.52e+07 ga       615053 
H9HB2-HD      2.645      6.839   5.85e+06 ga       127981 
H9HB2-HE      2.645      7.357   1.00e+07 ga       197720 
H9HB2-HN      2.644      8.080   2.92e+07                 
T10HA-N5HA      4.201      4.654   6.15e+06 ga       124360 
T10HA-HN      4.201      7.833   4.38e+07 ga       847820 
T10HA-A11HA      4.201      4.330   3.00e+06 ga        94780 
T10HA-A11HN      4.201      8.138   7.34e+07 el              
T10HA-Y13HD      4.202      7.000   8.30e+05                 
T10HA-Y13HE      4.201      6.618   1.04e+06                 
T10HB-N5HA      3.996      4.655   2.02e+06 el              
T10HB-HA      3.995      4.199   6.19e+07 el              
T10HB-HN      3.995      7.832   3.05e+07 ga       619848 
T10HB-A11HA      3.994      4.327   3.28e+06 ga        51117 
T10HB-A11HN      3.995      8.138   3.13e+07 ga       441714 
T10HB-S12HN      3.996      7.899   1.12e+07 ga       145313 
T10HB-Y13HD      3.998      6.999   2.42e+05                 
T10HB-Y13HN      3.998      7.859   2.14e+06 ga        57174 
T10HN-S8HN      7.836      8.030   5.97e+05 ga        30502 
T10HN-A11HN      7.834      8.131   5.62e+07                 
T10HN-?      7.837      7.880   8.60e+07 el              
A11HA-HN      4.328      8.137   6.53e+07 ga       588781 
A11HA-S12HN      4.330      7.900   1.13e+08 el              
A11HA-Y13HD      4.327      6.999   2.62e+06                 
A11HA-Y13HE      4.329      6.623   3.33e+06                 
A11HA-Y13HN      4.332      7.861   6.66e+06 ga       102983 
A11HA-R15HN      4.331      7.991   2.00e+07 ga       112140 
A11HB-S8HB      1.224      3.587   1.09e+07 ga        94645 
A11HB-S8HN      1.225      8.026   2.13e+06 ga        51376 
A11HB-T10HB      1.225      3.994   8.75e+06 ga       187445 
A11HB-HA      1.226      4.330   1.28e+08 el              
A11HB-HN      1.226      8.138   8.54e+07 el              
A11HB-S12HB1      1.225      3.533   2.03e+06 ga       129558 
A11HB-S12HB2      1.225      3.575   4.21e+06 ga       130076 
A11HB-S12HN      1.225      7.901   3.90e+07 el              
A11HB-Y13HA      1.225      4.395   5.47e+06 ga        84488 
A11HB-Y13HB1      1.227      2.743   1.02e+06 ga        19293 
A11HB-Y13HD      1.226      7.000   6.56e+06                 
A11HB-Y13HE      1.225      6.620   5.44e+06                 
S12HA-A11HA      4.264      4.328   1.60e+06 ga        94484 
S12HA-Y13HA      4.267      4.397   1.94e+07 ga       308376 
S12HA-Y13HD      4.267      6.999   1.38e+07                 
S12HA-Y13HE      4.265      6.619   3.92e+06                 
S12HA-Y13HN      4.267      7.866   8.54e+07                 
S12HB1-T10HB      3.537      3.992   1.19e+05 el              
S12HB1-A11HA      3.532      4.329   3.20e+06 ga        98774 
S12HB1-HA      3.533      4.261   3.83e+07 ga      1100568 
S12HB1-HB2      3.533      3.574   2.63e+08 el              
S12HB1-HN      3.533      7.900   3.78e+07 ga       745590 
S12HB1-Y13HA      3.534      4.393   4.65e+06 ga        54399 
S12HB1-Y13HD      3.533      7.000   3.13e+06                 
S12HB1-Y13HE      3.534      6.620   9.63e+05                 
S12HB1-Y13HN      3.534      7.864   2.17e+07                 
S12HB1-?      3.533      7.929   6.37e+06 ga       119186 
S12HB1-R15HN      3.532      7.994   1.78e+06 ga        52436 
S12HB2-T10HB      3.579      3.993   4.49e+06 ga        39667 
S12HB2-A11HA      3.576      4.329   1.04e+07 ga       136191 
S12HB2-HA      3.575      4.264   1.14e+08                 
S12HB2-HN      3.575      7.900   4.82e+07 ga       892082 
S12HB2-Y13HA      3.576      4.398   3.05e+06 ga        59158 
S12HB2-Y13HE      3.579      6.619   2.98e+06                 
S12HB2-Y13HN      3.575      7.861   2.26e+07 ga       505798 
S12HB2-?      3.576      7.931   1.18e+07 ga       146416 
S12HB2-R15HN      3.579      7.998   3.06e+06 ga        50264 
S12HN-A11HN      7.902      8.137   2.11e+07 ga       396749 
Y13HA-HD      4.398      6.999   2.59e+07                 
Y13HA-HE      4.399      6.621   2.96e+06                 
Y13HA-HN      4.399      7.864   3.58e+07                 
Y13HA-?      4.398      7.929   8.85e+07 el              
Y13HA-R15HN      4.399      7.993   7.40e+06 ga       128512 
Y13HA-R15NHe      4.397      7.435   3.31e+05 ga        18587 
Y13HA-?      4.400      7.780   5.24e+06 ga        83488 
Y13HB1-T10HA      2.745      4.199   6.69e+06 ga        67321 
Y13HB1-T10HB      2.744      3.992   4.08e+05 el              
Y13HB1-S12HA      2.743      4.267   2.04e+07 ga       180831 
Y13HB1-S12HB2      2.749      3.573   6.67e+05 ga        31166 
Y13HB1-HA      2.744      4.396   6.98e+07 el              
Y13HB1-HB2      2.744      2.949   5.88e+08                 
Y13HB1-HD      2.743      6.999   6.11e+07                 
Y13HB1-HE      2.742      6.620   6.37e+06                 
Y13HB1-HN      2.743      7.864   7.06e+07                 
Y13HB1-?      2.744      7.929   2.42e+07 ga       510729 
Y13HB1-R15HN      2.743      7.993   1.23e+07 ga        93585 
Y13HB2-T10HA      2.963      4.196   1.49e+07 ga       117704 
Y13HB2-S12HA      2.950      4.266   1.56e+07 ga       140116 
Y13HB2-S12HB2      2.960      3.579   7.79e+06                 
Y13HB2-S12HN      2.959      7.900   1.32e+07 ga       124985 
Y13HB2-HA      2.948      4.397   7.77e+07 el              
Y13HB2-HD      2.949      6.999   5.65e+07                 
Y13HB2-HE      2.945      6.620   1.09e+07                 
Y13HB2-HN      2.948      7.864   4.81e+07                 
Y13HB2-R15HN      2.947      7.993   4.10e+06 ga        91338 
Y13HN-W17HN      7.867      7.936   5.96e+07 ga      1144055 
R15HA-HN      4.243      7.994   7.48e+07 ga      1316709 
R15HA-NHe      4.243      7.437   5.20e+06 ga       118790 
R15HA-W17H4      4.251      7.557   6.82e+06 ga       139643 
R15HA-W17H5      4.244      6.963   2.63e+05 ga        27649 
R15NHe-HN      7.436      7.994   2.09e+06 ga        58419 
R15NHe-?      7.437      7.780   3.19e+06 ga        59856 
?-?      4.244      7.777   1.93e+08                 
?-W17H2      4.247      7.135   5.45e+06 ga       221745 
?-W17HA      4.247      4.499   2.43e+07 ga       351717 
?-W17HN      4.249      7.939   1.00e+08 el              
?-W17N1H      4.246     10.726   1.83e+06 ga        44397 
?-A18HN      1.418      7.970   1.72e+07 ga       310672 
?-S12HN      7.773      7.895   1.77e+07                 
?-R15HN      7.778      7.993   3.77e+07 ga      1006284 
?-W17HN      7.778      7.943   1.28e+08                 
?-W17N1H      7.781     10.727   9.66e+05 ga        44416 
?-A18HN      7.773      7.969   3.00e+07                 
W17H2-?      7.135      7.777   2.56e+06 ga        80397 
W17H2-?      7.133      7.556   2.34e+06                 
W17H2-HN      7.136      7.940   1.29e+07 bx              
W17H2-A18HN      7.135      7.969   3.70e+06 bx              
W17H2-?      7.136      7.876   6.00e+05 bx              
W17H4-?      7.549      7.774   3.67e+06 ga        43258 
W17H4-HN      7.553      7.945   1.33e+07                 
?-?           7.551     10.727   1.38e+05 ga        25249 
W17H4-A18HN      7.552      7.974   9.66e+06                 
W17H4-?      7.552      7.876   3.18e+06 ga        65905 
?-N5HN      7.359      8.080   1.72e+06                 
W17HA-?      4.498      7.776   9.42e+06                 
W17HA-A18HN      4.502      7.970   8.64e+07 el              
W17HA-?      4.501      7.875   3.48e+06 ga        74040 
W17HA-S20HN      4.502      7.833   4.22e+06 ga        74784 
W17HA-?      4.502      7.881   7.95e+06 ga       110975 
W17HB1-R15HA      2.984      4.245   1.79e+07 ga       195271 
W17HB1-?      2.984      7.774   4.02e+06 ga        90084 
W17HB1-HA      2.985      4.503   6.08e+07 el              
W17HB1-HB2      2.986      3.150   7.19e+08                 
W17HB1-HN      2.979      7.945   6.95e+07 el              
W17HB1-A18HN      2.984      7.969   3.27e+07 ga       577905 
W17HB2-R15HA      3.146      4.244   8.60e+06 ga       103592 
W17HB2-?      3.147      7.774   5.12e+06 ga        67602 
W17HB2-HA      3.147      4.503   7.40e+07 ga      1137759 
W17HB2-A18HN      3.147      7.970   2.87e+07 ga       630075 
W17HB2-?      3.147      7.876   2.95e+06 ga        65007 
W17HB2-?      3.147      7.882   1.42e+06 el              
W17HN-R15HN      7.937      7.992   6.32e+07 el              
A18HA-HN      4.243      7.971   5.85e+07 el              
A18HA-?      4.244      7.877   1.74e+08                 
A18HN-W17N1H      7.972     10.724   2.11e+07 ga        52318 
?-?      1.489      7.876   2.00e+08 el              
S20HA-W17N1H      4.296     10.727   5.18e+05 ga         6606 
S20HA-A18HN      4.295      7.966   2.16e+07 ga       410969 
S20HA-?      4.291      7.874   6.32e+07 el              
S20HA-?      4.292      7.879   7.12e+07 el              
S20HB1-W17HA      3.592      4.503   3.79e+06                 
S20HB1-A18HN      3.593      7.972   2.12e+07 ga       410020 
S20HB1-HA      3.592      4.293   6.74e+07 el              
S20HB1-HB2      3.593      3.646   1.79e+08 el              
S20HB1-HN      3.592      7.835   4.19e+07                 
S20HB2-W17H2      3.641      7.136   2.93e+05 ga        21334 
S20HB2-W17H4      3.648      7.557   4.13e+05 ga        17892 
S20HB2-W17HA      3.644      4.504   8.98e+06 ga       119807 
S20HB2-W17HN      3.644      7.937   4.85e+06 ga        32026 
S20HB2-A18HA      3.647      4.249   6.19e+06                 
S20HB2-?      3.643      7.873   9.37e+06 ga       268918 
S20HB2-HA      3.643      4.293   4.79e+07                 
S20HB2-HN      3.643      7.835   3.67e+07                 
S20HB2-?      3.643      7.879   5.23e+06 el              
S20HB2-A22HA      3.641      4.192   4.78e+05 ga         4071 
?-?      1.489      7.881   2.00e+08 el              
A22HA-HN      4.190      7.894   4.55e+07 ga      1109373 
A22HB-S20HA      1.206      4.290   7.32e+06 ga       108545 
A22HB-S20HB2      1.207      3.642   7.16e+06 ga        83381 
A22HB-S20HN      1.217      7.835   2.90e+07                 
A22HB-HA      1.201      4.188   7.73e+07 el              
A22HB-HN      1.201      7.892   8.29e+07 el              
A22HB-A24HN      1.202      7.946   5.62e+07 ga      1032297 
A22HB-Q25HN      1.200      8.294   2.14e+05                 
A22HN-H23HN      7.896      8.175   2.69e+07                 
H23HA-A22HN      4.569      7.895   4.93e+07                 
H23HA-HN      4.569      8.175   1.62e+07                 
H23HB1-A22HN      2.483      7.894   6.24e+06                 
H23HB1-HA      2.483      4.568   3.29e+07                 
H23HB1-HB2      2.482      2.575   6.38e+07 el              
H23HB1-HN      2.482      8.176   2.26e+07 ga       372572 
H23HB2-A22HN      2.577      7.896   6.30e+06                 
H23HB2-HA      2.576      4.569   4.06e+07                 
H23HB2-HN      2.580      8.177   1.67e+07 ga       298810 
A24HA-HN      4.294      7.945   4.83e+07 ga       634006 
A24HA-Q25HN      4.300      8.293   1.68e+08                 
A24HB-S20HA      1.248      4.292   2.96e+07 ga      1117615 
A24HB-S20HB2      1.250      3.644   1.49e+06                 
?-?      3.589      8.079   7.03e+06 ga        58420
A24HB-HA      1.252      4.300   5.66e+07 ga      1712222 
A24HB-HN      1.250      7.947   6.47e+07 ga      1583653 
A24HB-Q25HB1      1.252      1.807   1.51e+05                 
A24HB-Q25HN      1.250      8.292   3.96e+07                 
A24HN-Q25HN      7.949      8.294   1.16e+07                 
Q25HA-HN      4.206      8.289   9.96e+06 ga       435883 
Q25HB1-A24HN      1.806      7.951   5.42e+05 el              
Q25HB1-HA      1.806      4.208   1.41e+07                 
Q25HB1-HB2      1.810      1.980   2.33e+08                 
Q25HB1-HN      1.808      8.293   3.11e+07                 
Q25HB2-HA      1.975      4.208   6.31e+06 el              
Q25HB2-HN      1.978      8.293   9.51e+06                 



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           1HT      GLU   1  11.124   2.512 -19.152
    2    H2   GLU   1           2HT      GLU   1  10.095   3.839 -18.933
    3    H3   GLU   1           3HT      GLU   1  11.539   3.736 -18.053
    4    HA   GLU   1           HA       GLU   1  11.268   4.063 -20.992
    5    HB2  GLU   1           2HB      GLU   1  12.453   6.241 -20.553
    6    HB3  GLU   1           1HB      GLU   1  10.805   6.159 -19.952
    7    HG2  GLU   1           2HG      GLU   1  13.156   5.609 -18.174
    8    HG3  GLU   1           1HG      GLU   1  12.593   7.247 -18.481
    9    H    PHE   2           H        PHE   2  12.712   2.807 -21.905
   10    HA   PHE   2           HA       PHE   2  15.355   2.570 -20.693
   11    HB2  PHE   2           2HB      PHE   2  14.182   0.491 -21.389
   12    HB3  PHE   2           1HB      PHE   2  14.213   1.063 -23.053
   13    HD1  PHE   2           2HD      PHE   2  16.467   0.276 -20.202
   14    HD2  PHE   2           1HD      PHE   2  16.004   0.525 -24.426
   15    HE1  PHE   2           2HE      PHE   2  18.683  -0.742 -20.499
   16    HE2  PHE   2           1HE      PHE   2  18.223  -0.494 -24.730
   17    HZ   PHE   2           HZ       PHE   2  19.569  -1.121 -22.785
   18    H    CYS   3           H        CYS   3  13.726   3.758 -23.582
   19    HA   CYS   3           HA       CYS   3  16.289   4.906 -24.447
   20    HB2  CYS   3           2HB      CYS   3  14.150   4.539 -26.468
   21    HB3  CYS   3           1HB      CYS   3  15.896   4.393 -26.641
   22    H    LEU   4           H        LEU   4  13.986   5.938 -22.750
   23    HA   LEU   4           HA       LEU   4  12.795   7.840 -22.415
   24    HB2  LEU   4           2HB      LEU   4  14.688   8.841 -24.532
   25    HB3  LEU   4           1HB      LEU   4  13.508   9.878 -23.755
   26    HG   LEU   4           HG       LEU   4  15.703   8.391 -22.314
   27   HD11  LEU   4          1HD1      LEU   4  16.632  10.117 -23.748
   28   HD12  LEU   4          2HD1      LEU   4  16.741  10.591 -22.051
   29   HD13  LEU   4          3HD1      LEU   4  15.499  11.294 -23.086
   30   HD21  LEU   4          3HD2      LEU   4  15.083   9.878 -20.438
   31   HD22  LEU   4          1HD2      LEU   4  13.787   8.771 -20.894
   32   HD23  LEU   4          2HD2      LEU   4  13.719  10.461 -21.390
   33    H    ASN   5           H        ASN   5  12.521   6.149 -25.256
   34    HA   ASN   5           HA       ASN   5  10.040   7.526 -25.912
   35    HB2  ASN   5           2HB      ASN   5  11.735   8.559 -27.361
   36    HB3  ASN   5           1HB      ASN   5  12.185   6.963 -27.973
   37   HD21  ASN   5          1HD2      ASN   5  10.575   5.760 -29.155
   38   HD22  ASN   5          2HD2      ASN   5   9.321   6.598 -30.002
   39    H    CYS   6           H        CYS   6  12.192   4.890 -26.998
   40    HA   CYS   6           HA       CYS   6  10.454   3.234 -28.288
   41    HB2  CYS   6           2HB      CYS   6  11.940   1.405 -27.784
   42    HB3  CYS   6           1HB      CYS   6  12.923   2.857 -27.949
   43    H    VAL   7           H        VAL   7  10.728   3.731 -24.874
   44    HA   VAL   7           HA       VAL   7   8.660   1.739 -24.352
   45    HB   VAL   7           HB       VAL   7  10.678   3.101 -22.570
   46   HG11  VAL   7          1HG1      VAL   7   8.396   1.291 -21.733
   47   HG12  VAL   7          2HG1      VAL   7   8.550   3.006 -21.362
   48   HG13  VAL   7          3HG1      VAL   7   9.698   1.854 -20.684
   49   HG21  VAL   7          3HG2      VAL   7  11.361   0.774 -22.104
   50   HG22  VAL   7          1HG2      VAL   7  11.518   1.205 -23.809
   51   HG23  VAL   7          2HG2      VAL   7  10.162   0.209 -23.270
   52    H    SER   8           H        SER   8   9.555   5.096 -23.726
   53    HA   SER   8           HA       SER   8   7.342   5.742 -22.130
   54    HB2  SER   8           2HB      SER   8   9.017   7.661 -23.736
   55    HB3  SER   8           1HB      SER   8   8.143   7.989 -22.236
   56    HG   SER   8           HG       SER   8   9.533   6.310 -21.295
   57    H    HIS   9           H        HIS   9   7.952   6.315 -25.592
   58    HA   HIS   9           HA       HIS   9   5.282   7.524 -25.751
   59    HB2  HIS   9           2HB      HIS   9   7.602   7.699 -27.673
   60    HB3  HIS   9           1HB      HIS   9   6.035   8.462 -27.916
   61    HD1  HIS   9           1HD      HIS   9   8.995   9.768 -27.514
   62    HD2  HIS   9           2HD      HIS   9   5.780   9.799 -24.870
   63    HE1  HIS   9           1HE      HIS   9   9.401  11.721 -25.981
   64    HE2  HIS   9           2HE      HIS   9   7.375  11.807 -24.475
   65    H    THR  10           H        THR  10   7.177   4.833 -26.859
   66    HA   THR  10           HA       THR  10   5.448   4.251 -29.078
   67    HB   THR  10           HB       THR  10   7.474   2.419 -27.776
   68    HG1  THR  10           1HG      THR  10   7.753   4.652 -29.418
   69   HG21  THR  10          3HG2      THR  10   5.886   1.302 -29.281
   70   HG22  THR  10          1HG2      THR  10   7.510   1.324 -29.967
   71   HG23  THR  10          2HG2      THR  10   6.288   2.450 -30.558
   72    H    ALA  11           H        ALA  11   5.904   3.167 -25.788
   73    HA   ALA  11           HA       ALA  11   4.578   2.122 -24.281
   74    HB1  ALA  11           3HB      ALA  11   2.355   2.570 -26.260
   75    HB2  ALA  11           1HB      ALA  11   2.875   3.709 -25.016
   76    HB3  ALA  11           2HB      ALA  11   2.173   2.159 -24.554
   77    H    SER  12           H        SER  12   3.504   1.004 -27.483
   78    HA   SER  12           HA       SER  12   2.566  -1.500 -26.776
   79    HB2  SER  12           2HB      SER  12   2.389  -0.272 -29.017
   80    HB3  SER  12           1HB      SER  12   3.984  -0.918 -29.378
   81    HG   SER  12           HG       SER  12   2.970  -2.631 -30.017
   82    H    TYR  13           H        TYR  13   5.807  -0.510 -27.707
   83    HA   TYR  13           HA       TYR  13   6.962  -3.030 -28.046
   84    HB2  TYR  13           2HB      TYR  13   7.934  -0.949 -28.902
   85    HB3  TYR  13           1HB      TYR  13   8.238  -0.407 -27.259
   86    HD1  TYR  13           2HD      TYR  13   9.200  -2.914 -29.808
   87    HD2  TYR  13           1HD      TYR  13  10.240  -1.074 -26.116
   88    HE1  TYR  13           2HE      TYR  13  11.419  -3.965 -29.924
   89    HE2  TYR  13           1HE      TYR  13  12.468  -2.120 -26.222
   90    HH   TYR  13           HH       TYR  13  13.699  -3.542 -29.028
   91    H    LEU  14           H        LEU  14   6.112  -1.403 -25.154
   92    HA   LEU  14           HA       LEU  14   8.030  -2.875 -23.533
   93    HB2  LEU  14           2HB      LEU  14   7.620  -0.545 -22.980
   94    HB3  LEU  14           1HB      LEU  14   5.907  -0.857 -22.786
   95    HG   LEU  14           HG       LEU  14   6.477  -2.368 -20.861
   96   HD11  LEU  14          1HD1      LEU  14   8.797  -2.826 -21.494
   97   HD12  LEU  14          2HD1      LEU  14   8.684  -2.175 -19.857
   98   HD13  LEU  14          3HD1      LEU  14   9.208  -1.138 -21.185
   99   HD21  LEU  14          3HD2      LEU  14   6.911  -0.538 -19.295
  100   HD22  LEU  14          1HD2      LEU  14   5.697  -0.092 -20.497
  101   HD23  LEU  14          2HD2      LEU  14   7.350   0.507 -20.646
  102    H    ARG  15           H        ARG  15   4.784  -3.163 -24.612
  103    HA   ARG  15           HA       ARG  15   4.099  -4.954 -22.373
  104    HB2  ARG  15           2HB      ARG  15   2.712  -2.910 -22.633
  105    HB3  ARG  15           1HB      ARG  15   2.237  -3.469 -24.231
  106    HG2  ARG  15           2HG      ARG  15   1.236  -5.475 -23.205
  107    HG3  ARG  15           1HG      ARG  15   1.650  -4.830 -21.614
  108    HD2  ARG  15           2HD      ARG  15  -0.154  -3.499 -23.636
  109    HD3  ARG  15           1HD      ARG  15  -0.690  -4.404 -22.219
  110    HE   ARG  15           HE       ARG  15   0.605  -2.642 -20.914
  111   HH11  ARG  15          1HH1      ARG  15  -0.858  -1.976 -24.050
  112   HH12  ARG  15          2HH1      ARG  15  -1.113  -0.283 -23.699
  113   HH21  ARG  15          1HH2      ARG  15   0.184  -0.448 -20.434
  114   HH22  ARG  15          2HH2      ARG  15  -0.592   0.563 -21.631
  115    H    LEU  16           H        LEU  16   3.765  -4.580 -25.897
  116    HA   LEU  16           HA       LEU  16   2.415  -7.075 -26.248
  117    HB2  LEU  16           2HB      LEU  16   2.290  -5.017 -27.721
  118    HB3  LEU  16           1HB      LEU  16   3.864  -5.465 -28.339
  119    HG   LEU  16           HG       LEU  16   2.978  -7.534 -29.251
  120   HD11  LEU  16          1HD1      LEU  16   0.573  -8.007 -29.150
  121   HD12  LEU  16          2HD1      LEU  16   0.344  -6.616 -28.089
  122   HD13  LEU  16          3HD1      LEU  16   1.304  -7.993 -27.548
  123   HD21  LEU  16          3HD2      LEU  16   2.871  -5.529 -30.630
  124   HD22  LEU  16          1HD2      LEU  16   1.288  -5.129 -29.962
  125   HD23  LEU  16          2HD2      LEU  16   1.490  -6.576 -30.949
  126    H    TRP  17           H        TRP  17   5.641  -6.196 -25.826
  127    HA   TRP  17           HA       TRP  17   6.947  -8.314 -27.183
  128    HB2  TRP  17           2HB      TRP  17   7.985  -6.157 -26.396
  129    HB3  TRP  17           1HB      TRP  17   7.887  -6.768 -24.752
  130    HD1  TRP  17           HD       TRP  17   9.643  -8.643 -24.034
  131    HE1  TRP  17           1HE      TRP  17  11.886  -9.394 -25.054
  132    HE3  TRP  17           3HE      TRP  17   9.181  -6.497 -28.653
  133    HZ2  TRP  17           2HZ      TRP  17  13.268  -9.114 -27.496
  134    HZ3  TRP  17           3HZ      TRP  17  11.008  -6.790 -30.273
  135    HH2  TRP  17           HH       TRP  17  13.009  -8.068 -29.705
  136    H    ALA  18           H        ALA  18   4.811  -8.422 -24.665
  137    HA   ALA  18           HA       ALA  18   6.165 -10.691 -23.358
  138    HB1  ALA  18           3HB      ALA  18   5.642  -8.855 -21.858
  139    HB2  ALA  18           1HB      ALA  18   4.699 -10.286 -21.447
  140    HB3  ALA  18           2HB      ALA  18   3.940  -8.947 -22.309
  141    H    LEU  19           H        LEU  19   3.993 -10.198 -25.735
  142    HA   LEU  19           HA       LEU  19   2.827 -12.813 -25.316
  143    HB2  LEU  19           2HB      LEU  19   0.528 -12.106 -25.726
  144    HB3  LEU  19           1HB      LEU  19   1.162 -11.408 -24.250
  145    HG   LEU  19           HG       LEU  19   1.224  -9.801 -26.774
  146   HD11  LEU  19          1HD1      LEU  19  -1.055 -10.609 -26.673
  147   HD12  LEU  19          2HD1      LEU  19  -1.008  -8.911 -26.193
  148   HD13  LEU  19          3HD1      LEU  19  -1.162 -10.173 -24.969
  149   HD21  LEU  19          3HD2      LEU  19   2.367  -8.956 -24.790
  150   HD22  LEU  19          1HD2      LEU  19   0.875  -9.109 -23.860
  151   HD23  LEU  19          2HD2      LEU  19   0.973  -7.953 -25.189
  152    H    SER  20           H        SER  20   4.751 -11.698 -27.144
  153    HA   SER  20           HA       SER  20   3.288 -11.488 -29.661
  154    HB2  SER  20           2HB      SER  20   5.138  -9.906 -29.297
  155    HB3  SER  20           1HB      SER  20   6.260 -11.252 -29.105
  156    HG   SER  20           HG       SER  20   6.020 -10.143 -31.280
  157    H    LEU  21           H        LEU  21   3.022 -13.160 -31.002
  158    HA   LEU  21           HA       LEU  21   4.232 -15.702 -30.241
  159    HB2  LEU  21           2HB      LEU  21   2.038 -15.024 -32.203
  160    HB3  LEU  21           1HB      LEU  21   2.667 -16.641 -31.969
  161    HG   LEU  21           HG       LEU  21   1.339 -15.013 -29.805
  162   HD11  LEU  21          1HD1      LEU  21   0.225 -17.320 -31.399
  163   HD12  LEU  21          2HD1      LEU  21  -0.189 -15.627 -31.656
  164   HD13  LEU  21          3HD1      LEU  21  -0.598 -16.411 -30.131
  165   HD21  LEU  21          3HD2      LEU  21   2.174 -17.912 -29.919
  166   HD22  LEU  21          1HD2      LEU  21   1.272 -17.155 -28.605
  167   HD23  LEU  21          2HD2      LEU  21   2.925 -16.646 -28.948
  168    H    ALA  22           H        ALA  22   3.946 -13.545 -33.023
  169    HA   ALA  22           HA       ALA  22   6.421 -14.670 -34.086
  170    HB1  ALA  22           3HB      ALA  22   3.904 -14.567 -35.750
  171    HB2  ALA  22           1HB      ALA  22   4.657 -16.028 -35.106
  172    HB3  ALA  22           2HB      ALA  22   5.506 -15.055 -36.307
  173    H    HIS  23           H        HIS  23   3.939 -12.192 -34.174
  174    HA   HIS  23           HA       HIS  23   5.860 -10.221 -34.938
  175    HB2  HIS  23           2HB      HIS  23   4.718  -9.433 -36.957
  176    HB3  HIS  23           1HB      HIS  23   5.328 -11.067 -37.164
  177    HD1  HIS  23           1HD      HIS  23   2.381  -9.067 -37.704
  178    HD2  HIS  23           2HD      HIS  23   3.115 -13.058 -36.766
  179    HE1  HIS  23           1HE      HIS  23   0.261 -10.302 -38.262
  180    HE2  HIS  23           2HE      HIS  23   0.660 -12.668 -37.496
  181    H    ALA  24           H        ALA  24   5.450  -8.659 -33.588
  182    HA   ALA  24           HA       ALA  24   3.055  -8.062 -32.314
  183    HB1  ALA  24           3HB      ALA  24   4.037  -5.865 -31.868
  184    HB2  ALA  24           1HB      ALA  24   5.262  -6.158 -33.099
  185    HB3  ALA  24           2HB      ALA  24   5.228  -7.145 -31.637
  186    H    GLN  25           H        GLN  25   4.372  -6.841 -35.350
  187    HA   GLN  25           HA       GLN  25   1.757  -5.669 -35.996
  188    HB2  GLN  25           2HB      GLN  25   3.568  -4.037 -36.022
  189    HB3  GLN  25           1HB      GLN  25   4.512  -5.074 -37.082
  190    HG2  GLN  25           2HG      GLN  25   2.950  -4.747 -38.877
  191    HG3  GLN  25           1HG      GLN  25   1.872  -3.832 -37.823
  192   HE21  GLN  25          1HE2      GLN  25   1.970  -2.042 -39.204
  193   HE22  GLN  25          2HE2      GLN  25   3.377  -1.016 -39.257
  Start of MODEL    2
    1    H1   GLU   1           1HT      GLU   1   7.944   6.181 -18.566
    2    H2   GLU   1           2HT      GLU   1   9.299   5.941 -17.580
    3    H3   GLU   1           3HT      GLU   1   8.571   4.617 -18.340
    4    HA   GLU   1           HA       GLU   1   9.215   5.417 -20.492
    5    HB2  GLU   1           2HB      GLU   1  10.538   7.686 -18.981
    6    HB3  GLU   1           1HB      GLU   1  10.654   7.404 -20.708
    7    HG2  GLU   1           2HG      GLU   1   9.097   9.150 -20.398
    8    HG3  GLU   1           1HG      GLU   1   8.173   7.717 -20.833
    9    H    PHE   2           H        PHE   2  10.247   3.475 -20.369
   10    HA   PHE   2           HA       PHE   2  12.497   2.968 -18.714
   11    HB2  PHE   2           2HB      PHE   2  10.922   1.226 -19.589
   12    HB3  PHE   2           1HB      PHE   2  11.637   1.455 -21.181
   13    HD1  PHE   2           2HD      PHE   2  12.741   0.816 -17.681
   14    HD2  PHE   2           1HD      PHE   2  13.267  -0.022 -21.820
   15    HE1  PHE   2           2HE      PHE   2  14.499  -0.807 -17.120
   16    HE2  PHE   2           1HE      PHE   2  15.027  -1.648 -21.270
   17    HZ   PHE   2           HZ       PHE   2  15.644  -2.042 -18.918
   18    H    CYS   3           H        CYS   3  12.261   3.345 -22.270
   19    HA   CYS   3           HA       CYS   3  15.129   3.919 -22.256
   20    HB2  CYS   3           2HB      CYS   3  13.716   3.520 -24.829
   21    HB3  CYS   3           1HB      CYS   3  15.318   2.983 -24.339
   22    H    LEU   4           H        LEU   4  12.684   5.736 -21.790
   23    HA   LEU   4           HA       LEU   4  12.014   7.855 -22.247
   24    HB2  LEU   4           2HB      LEU   4  14.777   7.979 -23.431
   25    HB3  LEU   4           1HB      LEU   4  13.721   9.370 -23.372
   26    HG   LEU   4           HG       LEU   4  15.228   9.565 -21.557
   27   HD11  LEU   4          1HD1      LEU   4  13.754   9.597 -19.640
   28   HD12  LEU   4          2HD1      LEU   4  12.615   8.541 -20.472
   29   HD13  LEU   4          3HD1      LEU   4  12.912  10.171 -21.078
   30   HD21  LEU   4          3HD2      LEU   4  14.436   6.769 -20.754
   31   HD22  LEU   4          1HD2      LEU   4  15.497   7.844 -19.842
   32   HD23  LEU   4          2HD2      LEU   4  15.989   7.260 -21.431
   33    H    ASN   5           H        ASN   5  12.058   5.595 -24.452
   34    HA   ASN   5           HA       ASN   5  10.668   7.202 -26.424
   35    HB2  ASN   5           2HB      ASN   5  12.948   7.291 -27.293
   36    HB3  ASN   5           1HB      ASN   5  13.088   5.539 -27.158
   37   HD21  ASN   5          1HD2      ASN   5  11.853   4.217 -28.566
   38   HD22  ASN   5          2HD2      ASN   5  11.241   4.844 -30.073
   39    H    CYS   6           H        CYS   6  11.979   3.987 -25.750
   40    HA   CYS   6           HA       CYS   6  10.227   2.511 -27.318
   41    HB2  CYS   6           2HB      CYS   6  10.827   0.600 -25.915
   42    HB3  CYS   6           1HB      CYS   6  12.255   1.581 -26.237
   43    H    VAL   7           H        VAL   7   9.782   4.070 -24.300
   44    HA   VAL   7           HA       VAL   7   7.167   2.842 -23.981
   45    HB   VAL   7           HB       VAL   7   8.942   4.333 -22.045
   46   HG11  VAL   7          1HG1      VAL   7   7.186   4.075 -20.354
   47   HG12  VAL   7          2HG1      VAL   7   6.096   3.406 -21.569
   48   HG13  VAL   7          3HG1      VAL   7   6.629   5.084 -21.689
   49   HG21  VAL   7          3HG2      VAL   7   7.769   1.552 -22.023
   50   HG22  VAL   7          1HG2      VAL   7   8.819   2.241 -20.784
   51   HG23  VAL   7          2HG2      VAL   7   9.436   1.975 -22.417
   52    H    SER   8           H        SER   8   8.756   6.009 -23.897
   53    HA   SER   8           HA       SER   8   6.414   7.516 -23.542
   54    HB2  SER   8           2HB      SER   8   8.775   8.714 -24.889
   55    HB3  SER   8           1HB      SER   8   7.851   9.293 -23.500
   56    HG   SER   8           HG       SER   8   9.782   8.608 -22.690
   57    H    HIS   9           H        HIS   9   8.041   6.337 -26.395
   58    HA   HIS   9           HA       HIS   9   6.318   7.994 -28.115
   59    HB2  HIS   9           2HB      HIS   9   8.750   8.394 -28.311
   60    HB3  HIS   9           1HB      HIS   9   8.994   6.699 -28.704
   61    HD1  HIS   9           1HD      HIS   9   7.372   9.818 -30.141
   62    HD2  HIS   9           2HD      HIS   9   8.841   6.118 -31.358
   63    HE1  HIS   9           1HE      HIS   9   7.257   9.827 -32.659
   64    HE2  HIS   9           2HE      HIS   9   8.052   7.536 -33.368
   65    H    THR  10           H        THR  10   6.353   4.986 -26.872
   66    HA   THR  10           HA       THR  10   4.921   3.904 -29.157
   67    HB   THR  10           HB       THR  10   7.231   2.393 -27.922
   68    HG1  THR  10           1HG      THR  10   7.014   4.108 -30.094
   69   HG21  THR  10          3HG2      THR  10   5.408   0.942 -28.705
   70   HG22  THR  10          1HG2      THR  10   6.836   0.785 -29.728
   71   HG23  THR  10          2HG2      THR  10   5.454   1.733 -30.283
   72    H    ALA  11           H        ALA  11   6.291   2.784 -26.073
   73    HA   ALA  11           HA       ALA  11   5.392   1.800 -24.246
   74    HB1  ALA  11           3HB      ALA  11   2.738   2.787 -25.259
   75    HB2  ALA  11           1HB      ALA  11   3.822   3.667 -24.183
   76    HB3  ALA  11           2HB      ALA  11   3.059   2.173 -23.636
   77    H    SER  12           H        SER  12   3.402   1.165 -27.053
   78    HA   SER  12           HA       SER  12   2.569  -1.391 -26.615
   79    HB2  SER  12           2HB      SER  12   3.724  -0.146 -29.092
   80    HB3  SER  12           1HB      SER  12   2.823  -1.641 -29.048
   81    HG   SER  12           HG       SER  12   1.749   0.609 -29.422
   82    H    TYR  13           H        TYR  13   5.778  -0.307 -27.471
   83    HA   TYR  13           HA       TYR  13   6.942  -2.708 -28.246
   84    HB2  TYR  13           2HB      TYR  13   7.898  -0.399 -28.474
   85    HB3  TYR  13           1HB      TYR  13   8.308  -0.459 -26.766
   86    HD1  TYR  13           2HD      TYR  13   8.913  -2.222 -29.999
   87    HD2  TYR  13           1HD      TYR  13  10.352  -1.359 -26.088
   88    HE1  TYR  13           2HE      TYR  13  11.053  -3.304 -30.554
   89    HE2  TYR  13           1HE      TYR  13  12.497  -2.440 -26.631
   90    HH   TYR  13           HH       TYR  13  13.320  -3.369 -29.866
   91    H    LEU  14           H        LEU  14   6.327  -1.430 -25.041
   92    HA   LEU  14           HA       LEU  14   7.675  -3.744 -23.841
   93    HB2  LEU  14           2HB      LEU  14   6.809  -1.088 -22.739
   94    HB3  LEU  14           1HB      LEU  14   7.136  -2.440 -21.674
   95    HG   LEU  14           HG       LEU  14   9.077  -1.028 -21.765
   96   HD11  LEU  14          1HD1      LEU  14   9.478  -3.414 -21.607
   97   HD12  LEU  14          2HD1      LEU  14  10.755  -2.629 -22.533
   98   HD13  LEU  14          3HD1      LEU  14   9.500  -3.548 -23.365
   99   HD21  LEU  14          3HD2      LEU  14  10.294  -0.639 -23.859
  100   HD22  LEU  14          1HD2      LEU  14   8.688   0.085 -23.879
  101   HD23  LEU  14          2HD2      LEU  14   8.989  -1.416 -24.755
  102    H    ARG  15           H        ARG  15   4.630  -2.694 -24.755
  103    HA   ARG  15           HA       ARG  15   3.155  -4.085 -22.700
  104    HB2  ARG  15           2HB      ARG  15   2.215  -2.092 -23.802
  105    HB3  ARG  15           1HB      ARG  15   2.242  -2.933 -25.344
  106    HG2  ARG  15           2HG      ARG  15   0.604  -4.512 -24.569
  107    HG3  ARG  15           1HG      ARG  15   0.642  -3.805 -22.952
  108    HD2  ARG  15           2HD      ARG  15  -0.236  -2.398 -25.476
  109    HD3  ARG  15           1HD      ARG  15  -1.306  -3.044 -24.230
  110    HE   ARG  15           HE       ARG  15   0.315  -1.368 -22.856
  111   HH11  ARG  15          1HH1      ARG  15  -1.661  -0.961 -25.728
  112   HH12  ARG  15          2HH1      ARG  15  -1.974   0.719 -25.401
  113   HH21  ARG  15          1HH2      ARG  15  -0.075   0.822 -22.454
  114   HH22  ARG  15          2HH2      ARG  15  -1.089   1.735 -23.550
  115    H    LEU  16           H        LEU  16   4.278  -4.646 -25.966
  116    HA   LEU  16           HA       LEU  16   3.010  -7.260 -26.070
  117    HB2  LEU  16           2HB      LEU  16   3.124  -5.772 -28.067
  118    HB3  LEU  16           1HB      LEU  16   4.868  -5.924 -28.042
  119    HG   LEU  16           HG       LEU  16   4.616  -8.373 -28.442
  120   HD11  LEU  16          1HD1      LEU  16   1.717  -7.645 -28.767
  121   HD12  LEU  16          2HD1      LEU  16   2.402  -8.708 -27.538
  122   HD13  LEU  16          3HD1      LEU  16   2.438  -9.182 -29.237
  123   HD21  LEU  16          3HD2      LEU  16   3.306  -6.562 -30.465
  124   HD22  LEU  16          1HD2      LEU  16   3.992  -8.153 -30.791
  125   HD23  LEU  16          2HD2      LEU  16   5.041  -6.830 -30.279
  126    H    TRP  17           H        TRP  17   5.995  -5.835 -25.173
  127    HA   TRP  17           HA       TRP  17   7.728  -8.034 -25.583
  128    HB2  TRP  17           2HB      TRP  17   8.409  -5.629 -25.173
  129    HB3  TRP  17           1HB      TRP  17   8.004  -5.879 -23.479
  130    HD1  TRP  17           HD       TRP  17   9.659  -7.429 -22.040
  131    HE1  TRP  17           1HE      TRP  17  12.088  -8.195 -22.436
  132    HE3  TRP  17           3HE      TRP  17  10.061  -6.287 -27.010
  133    HZ2  TRP  17           2HZ      TRP  17  13.925  -8.280 -24.577
  134    HZ3  TRP  17           3HZ      TRP  17  12.195  -6.735 -28.156
  135    HH2  TRP  17           HH       TRP  17  14.086  -7.713 -26.958
  136    H    ALA  18           H        ALA  18   6.870  -9.904 -24.819
  137    HA   ALA  18           HA       ALA  18   7.294 -10.608 -22.135
  138    HB1  ALA  18           3HB      ALA  18   4.993 -11.055 -21.401
  139    HB2  ALA  18           1HB      ALA  18   4.384 -10.293 -22.871
  140    HB3  ALA  18           2HB      ALA  18   5.256  -9.334 -21.679
  141    H    LEU  19           H        LEU  19   5.008 -11.345 -24.746
  142    HA   LEU  19           HA       LEU  19   6.079 -14.086 -24.837
  143    HB2  LEU  19           2HB      LEU  19   3.161 -13.303 -24.947
  144    HB3  LEU  19           1HB      LEU  19   3.776 -14.920 -25.221
  145    HG   LEU  19           HG       LEU  19   4.037 -13.415 -22.610
  146   HD11  LEU  19          1HD1      LEU  19   2.129 -15.590 -23.442
  147   HD12  LEU  19          2HD1      LEU  19   1.712 -13.924 -23.040
  148   HD13  LEU  19          3HD1      LEU  19   2.338 -15.005 -21.793
  149   HD21  LEU  19          3HD2      LEU  19   4.542 -16.312 -23.274
  150   HD22  LEU  19          1HD2      LEU  19   4.741 -15.543 -21.701
  151   HD23  LEU  19          2HD2      LEU  19   5.799 -15.096 -23.041
  152    H    SER  20           H        SER  20   6.569 -11.680 -26.411
  153    HA   SER  20           HA       SER  20   5.153 -12.105 -28.910
  154    HB2  SER  20           2HB      SER  20   5.527  -9.807 -28.115
  155    HB3  SER  20           1HB      SER  20   7.271 -10.068 -28.151
  156    HG   SER  20           HG       SER  20   6.990  -9.225 -30.102
  157    H    LEU  21           H        LEU  21   5.981 -13.076 -30.673
  158    HA   LEU  21           HA       LEU  21   8.545 -14.373 -30.457
  159    HB2  LEU  21           2HB      LEU  21   6.618 -15.466 -31.572
  160    HB3  LEU  21           1HB      LEU  21   6.650 -14.228 -32.812
  161    HG   LEU  21           HG       LEU  21   8.912 -15.003 -33.477
  162   HD11  LEU  21          1HD1      LEU  21   9.620 -15.923 -31.339
  163   HD12  LEU  21          2HD1      LEU  21   9.753 -17.127 -32.622
  164   HD13  LEU  21          3HD1      LEU  21   8.411 -17.199 -31.480
  165   HD21  LEU  21          3HD2      LEU  21   6.932 -15.844 -34.630
  166   HD22  LEU  21          1HD2      LEU  21   6.803 -17.158 -33.462
  167   HD23  LEU  21          2HD2      LEU  21   8.193 -17.075 -34.546
  168    H    ALA  22           H        ALA  22   9.940 -12.627 -30.260
  169    HA   ALA  22           HA       ALA  22   9.991 -10.647 -32.407
  170    HB1  ALA  22           3HB      ALA  22  11.502  -9.386 -30.974
  171    HB2  ALA  22           1HB      ALA  22  11.547 -10.725 -29.825
  172    HB3  ALA  22           2HB      ALA  22  10.045  -9.843 -30.090
  173    H    HIS  23           H        HIS  23  11.332 -13.572 -31.754
  174    HA   HIS  23           HA       HIS  23  13.439 -13.130 -33.661
  175    HB2  HIS  23           2HB      HIS  23  15.210 -14.086 -32.275
  176    HB3  HIS  23           1HB      HIS  23  14.580 -12.610 -31.557
  177    HD1  HIS  23           1HD      HIS  23  15.457 -16.009 -30.697
  178    HD2  HIS  23           2HD      HIS  23  12.644 -13.228 -29.379
  179    HE1  HIS  23           1HE      HIS  23  14.713 -16.798 -28.422
  180    HE2  HIS  23           2HE      HIS  23  12.862 -15.218 -27.743
  181    H    ALA  24           H        ALA  24  13.357 -14.728 -35.064
  182    HA   ALA  24           HA       ALA  24  12.108 -17.236 -34.449
  183    HB1  ALA  24           3HB      ALA  24  12.750 -17.862 -36.740
  184    HB2  ALA  24           1HB      ALA  24  13.698 -16.380 -36.870
  185    HB3  ALA  24           2HB      ALA  24  11.945 -16.293 -36.691
  186    H    GLN  25           H        GLN  25  15.248 -15.880 -34.360
  187    HA   GLN  25           HA       GLN  25  16.363 -18.451 -33.497
  188    HB2  GLN  25           2HB      GLN  25  17.338 -17.664 -35.615
  189    HB3  GLN  25           1HB      GLN  25  17.725 -16.126 -34.859
  190    HG2  GLN  25           2HG      GLN  25  19.297 -17.217 -33.375
  191    HG3  GLN  25           1HG      GLN  25  18.857 -18.791 -34.037
  192   HE21  GLN  25          1HE2      GLN  25  20.941 -19.239 -34.715
  193   HE22  GLN  25          2HE2      GLN  25  21.658 -18.440 -36.088
  Start of MODEL    3
    1    H1   GLU   1           1HT      GLU   1   4.305   3.486 -17.170
    2    H2   GLU   1           2HT      GLU   1   4.953   4.273 -15.816
    3    H3   GLU   1           3HT      GLU   1   5.533   2.744 -16.261
    4    HA   GLU   1           HA       GLU   1   6.323   3.702 -18.371
    5    HB2  GLU   1           2HB      GLU   1   4.832   5.630 -18.451
    6    HB3  GLU   1           1HB      GLU   1   5.542   6.271 -16.975
    7    HG2  GLU   1           2HG      GLU   1   6.358   7.425 -18.953
    8    HG3  GLU   1           1HG      GLU   1   7.658   6.587 -18.102
    9    H    PHE   2           H        PHE   2   8.435   3.503 -18.286
   10    HA   PHE   2           HA       PHE   2   9.883   4.389 -15.882
   11    HB2  PHE   2           2HB      PHE   2   9.687   1.909 -16.229
   12    HB3  PHE   2           1HB      PHE   2  10.589   2.094 -17.720
   13    HD1  PHE   2           2HD      PHE   2  10.804   2.452 -14.051
   14    HD2  PHE   2           1HD      PHE   2  12.935   2.233 -17.728
   15    HE1  PHE   2           2HE      PHE   2  12.915   2.232 -12.814
   16    HE2  PHE   2           1HE      PHE   2  15.048   2.014 -16.498
   17    HZ   PHE   2           HZ       PHE   2  15.038   1.976 -14.030
   18    H    CYS   3           H        CYS   3   9.554   4.622 -19.292
   19    HA   CYS   3           HA       CYS   3  12.311   5.611 -19.586
   20    HB2  CYS   3           2HB      CYS   3  11.615   3.596 -20.923
   21    HB3  CYS   3           1HB      CYS   3  10.469   4.630 -21.768
   22    H    LEU   4           H        LEU   4   9.385   6.811 -19.043
   23    HA   LEU   4           HA       LEU   4   8.319   8.791 -19.338
   24    HB2  LEU   4           2HB      LEU   4  11.049   9.676 -20.267
   25    HB3  LEU   4           1HB      LEU   4   9.711  10.767 -19.951
   26    HG   LEU   4           HG       LEU   4  11.064   8.989 -17.918
   27   HD11  LEU   4          1HD1      LEU   4  11.869  11.071 -16.953
   28   HD12  LEU   4          2HD1      LEU   4  11.068  11.990 -18.228
   29   HD13  LEU   4          3HD1      LEU   4  12.409  10.915 -18.627
   30   HD21  LEU   4          3HD2      LEU   4   8.831  10.991 -17.580
   31   HD22  LEU   4          1HD2      LEU   4   9.641  10.114 -16.281
   32   HD23  LEU   4          2HD2      LEU   4   8.676   9.237 -17.473
   33    H    ASN   5           H        ASN   5   8.311   6.868 -21.529
   34    HA   ASN   5           HA       ASN   5   6.970   8.113 -23.555
   35    HB2  ASN   5           2HB      ASN   5   8.965   9.434 -24.078
   36    HB3  ASN   5           1HB      ASN   5   9.932   7.965 -24.194
   37   HD21  ASN   5          1HD2      ASN   5   9.509   6.511 -25.941
   38   HD22  ASN   5          2HD2      ASN   5   8.775   7.076 -27.405
   39    H    CYS   6           H        CYS   6   9.565   5.778 -23.016
   40    HA   CYS   6           HA       CYS   6   9.002   4.281 -25.339
   41    HB2  CYS   6           2HB      CYS   6  10.508   3.340 -22.904
   42    HB3  CYS   6           1HB      CYS   6  10.676   2.754 -24.559
   43    H    VAL   7           H        VAL   7   7.595   4.318 -22.266
   44    HA   VAL   7           HA       VAL   7   6.409   1.691 -22.690
   45    HB   VAL   7           HB       VAL   7   6.597   3.423 -20.228
   46   HG11  VAL   7          1HG1      VAL   7   4.462   2.219 -20.224
   47   HG12  VAL   7          2HG1      VAL   7   5.561   1.550 -19.017
   48   HG13  VAL   7          3HG1      VAL   7   5.309   0.706 -20.543
   49   HG21  VAL   7          3HG2      VAL   7   8.016   1.616 -19.388
   50   HG22  VAL   7          1HG2      VAL   7   8.660   2.286 -20.888
   51   HG23  VAL   7          2HG2      VAL   7   7.805   0.742 -20.908
   52    H    SER   8           H        SER   8   5.530   5.056 -21.979
   53    HA   SER   8           HA       SER   8   2.718   4.507 -22.175
   54    HB2  SER   8           2HB      SER   8   4.060   7.209 -22.117
   55    HB3  SER   8           1HB      SER   8   2.389   6.834 -21.687
   56    HG   SER   8           HG       SER   8   4.762   6.093 -20.328
   57    H    HIS   9           H        HIS   9   4.873   6.658 -24.024
   58    HA   HIS   9           HA       HIS   9   2.948   7.157 -26.049
   59    HB2  HIS   9           2HB      HIS   9   5.939   7.605 -26.024
   60    HB3  HIS   9           1HB      HIS   9   4.865   8.164 -27.301
   61    HD1  HIS   9           1HD      HIS   9   6.604  10.057 -25.539
   62    HD2  HIS   9           2HD      HIS   9   2.588   9.213 -24.922
   63    HE1  HIS   9           1HE      HIS   9   5.694  12.017 -24.272
   64    HE2  HIS   9           2HE      HIS   9   3.208  11.625 -24.209
   65    H    THR  10           H        THR  10   5.709   4.955 -25.819
   66    HA   THR  10           HA       THR  10   5.407   4.061 -28.542
   67    HB   THR  10           HB       THR  10   7.042   2.741 -26.377
   68    HG1  THR  10           1HG      THR  10   7.655   5.023 -27.980
   69   HG21  THR  10          3HG2      THR  10   8.466   2.074 -28.269
   70   HG22  THR  10          1HG2      THR  10   7.354   2.885 -29.373
   71   HG23  THR  10          2HG2      THR  10   6.812   1.483 -28.451
   72    H    ALA  11           H        ALA  11   5.000   2.738 -25.303
   73    HA   ALA  11           HA       ALA  11   3.682   1.144 -24.383
   74    HB1  ALA  11           3HB      ALA  11   1.478   0.783 -25.308
   75    HB2  ALA  11           1HB      ALA  11   1.979   1.514 -26.833
   76    HB3  ALA  11           2HB      ALA  11   1.905   2.493 -25.369
   77    H    SER  12           H        SER  12   3.526   0.381 -27.837
   78    HA   SER  12           HA       SER  12   3.112  -2.322 -27.682
   79    HB2  SER  12           2HB      SER  12   3.238  -0.627 -29.676
   80    HB3  SER  12           1HB      SER  12   4.884  -1.212 -29.816
   81    HG   SER  12           HG       SER  12   4.201  -3.154 -30.407
   82    H    TYR  13           H        TYR  13   6.226  -0.633 -27.789
   83    HA   TYR  13           HA       TYR  13   7.754  -2.940 -28.331
   84    HB2  TYR  13           2HB      TYR  13   8.334  -0.500 -28.751
   85    HB3  TYR  13           1HB      TYR  13   8.767  -0.404 -27.054
   86    HD1  TYR  13           2HD      TYR  13   9.653  -1.845 -30.317
   87    HD2  TYR  13           1HD      TYR  13  10.833  -1.400 -26.248
   88    HE1  TYR  13           2HE      TYR  13  11.898  -2.672 -30.882
   89    HE2  TYR  13           1HE      TYR  13  13.083  -2.223 -26.813
   90    HH   TYR  13           HH       TYR  13  14.172  -2.538 -30.031
   91    H    LEU  14           H        LEU  14   6.498  -1.643 -25.373
   92    HA   LEU  14           HA       LEU  14   8.280  -3.400 -23.829
   93    HB2  LEU  14           2HB      LEU  14   7.001  -0.783 -23.171
   94    HB3  LEU  14           1HB      LEU  14   7.318  -1.915 -21.876
   95    HG   LEU  14           HG       LEU  14   9.121  -0.333 -21.986
   96   HD11  LEU  14          1HD1      LEU  14   9.697  -2.633 -21.413
   97   HD12  LEU  14          2HD1      LEU  14  11.022  -1.829 -22.253
   98   HD13  LEU  14          3HD1      LEU  14  10.002  -2.983 -23.111
   99   HD21  LEU  14          3HD2      LEU  14   8.918   0.407 -24.276
  100   HD22  LEU  14          1HD2      LEU  14   9.443  -1.176 -24.859
  101   HD23  LEU  14          2HD2      LEU  14  10.564  -0.147 -23.965
  102    H    ARG  15           H        ARG  15   4.903  -2.368 -24.169
  103    HA   ARG  15           HA       ARG  15   4.094  -4.303 -22.141
  104    HB2  ARG  15           2HB      ARG  15   3.130  -2.038 -22.074
  105    HB3  ARG  15           1HB      ARG  15   2.471  -2.273 -23.686
  106    HG2  ARG  15           2HG      ARG  15   0.752  -2.532 -22.004
  107    HG3  ARG  15           1HG      ARG  15   1.036  -4.057 -22.844
  108    HD2  ARG  15           2HD      ARG  15   2.364  -4.866 -20.977
  109    HD3  ARG  15           1HD      ARG  15   2.185  -3.315 -20.156
  110    HE   ARG  15           HE       ARG  15  -0.372  -4.048 -20.470
  111   HH11  ARG  15          1HH1      ARG  15   2.387  -5.828 -19.226
  112   HH12  ARG  15          2HH1      ARG  15   1.416  -6.855 -18.201
  113   HH21  ARG  15          1HH2      ARG  15  -1.620  -5.325 -19.105
  114   HH22  ARG  15          2HH2      ARG  15  -0.879  -6.566 -18.126
  115    H    LEU  16           H        LEU  16   3.765  -3.761 -25.615
  116    HA   LEU  16           HA       LEU  16   2.023  -6.104 -25.784
  117    HB2  LEU  16           2HB      LEU  16   2.786  -4.099 -27.901
  118    HB3  LEU  16           1HB      LEU  16   1.670  -5.431 -28.134
  119    HG   LEU  16           HG       LEU  16   1.261  -3.112 -26.239
  120   HD11  LEU  16          1HD1      LEU  16  -0.513  -2.457 -27.782
  121   HD12  LEU  16          2HD1      LEU  16  -0.080  -3.790 -28.852
  122   HD13  LEU  16          3HD1      LEU  16   1.057  -2.472 -28.583
  123   HD21  LEU  16          3HD2      LEU  16  -0.971  -4.029 -25.921
  124   HD22  LEU  16          1HD2      LEU  16   0.255  -5.188 -25.418
  125   HD23  LEU  16          2HD2      LEU  16  -0.575  -5.396 -26.958
  126    H    TRP  17           H        TRP  17   5.183  -5.677 -25.621
  127    HA   TRP  17           HA       TRP  17   6.148  -7.247 -27.813
  128    HB2  TRP  17           2HB      TRP  17   7.511  -5.585 -26.458
  129    HB3  TRP  17           1HB      TRP  17   7.512  -6.762 -25.149
  130    HD1  TRP  17           HD       TRP  17   9.015  -8.980 -25.516
  131    HE1  TRP  17           1HE      TRP  17  11.007  -9.458 -27.082
  132    HE3  TRP  17           3HE      TRP  17   8.443  -5.055 -28.727
  133    HZ2  TRP  17           2HZ      TRP  17  12.179  -8.290 -29.390
  134    HZ3  TRP  17           3HZ      TRP  17  10.033  -4.798 -30.581
  135    HH2  TRP  17           HH       TRP  17  11.860  -6.379 -30.904
  136    H    ALA  18           H        ALA  18   4.483  -7.907 -25.008
  137    HA   ALA  18           HA       ALA  18   5.476 -10.651 -24.756
  138    HB1  ALA  18           3HB      ALA  18   5.392  -9.371 -22.672
  139    HB2  ALA  18           1HB      ALA  18   4.234 -10.703 -22.635
  140    HB3  ALA  18           2HB      ALA  18   3.676  -9.056 -22.930
  141    H    LEU  19           H        LEU  19   4.031 -12.371 -24.896
  142    HA   LEU  19           HA       LEU  19   2.343 -13.583 -25.793
  143    HB2  LEU  19           2HB      LEU  19   0.765 -11.017 -25.555
  144    HB3  LEU  19           1HB      LEU  19   0.084 -12.539 -26.093
  145    HG   LEU  19           HG       LEU  19   1.296 -12.057 -23.370
  146   HD11  LEU  19          1HD1      LEU  19  -1.015 -12.197 -22.567
  147   HD12  LEU  19          2HD1      LEU  19  -1.587 -12.280 -24.235
  148   HD13  LEU  19          3HD1      LEU  19  -0.780 -10.825 -23.646
  149   HD21  LEU  19          3HD2      LEU  19   1.510 -14.367 -24.133
  150   HD22  LEU  19          1HD2      LEU  19  -0.216 -14.418 -24.487
  151   HD23  LEU  19          2HD2      LEU  19   0.338 -14.238 -22.821
  152    H    SER  20           H        SER  20   3.938 -11.156 -27.278
  153    HA   SER  20           HA       SER  20   2.669 -11.347 -29.838
  154    HB2  SER  20           2HB      SER  20   4.036  -9.359 -29.031
  155    HB3  SER  20           1HB      SER  20   5.461 -10.376 -29.251
  156    HG   SER  20           HG       SER  20   3.677 -10.157 -31.393
  157    H    LEU  21           H        LEU  21   2.693 -13.772 -29.613
  158    HA   LEU  21           HA       LEU  21   5.088 -15.244 -29.545
  159    HB2  LEU  21           2HB      LEU  21   2.667 -15.987 -29.082
  160    HB3  LEU  21           1HB      LEU  21   2.537 -16.202 -30.810
  161    HG   LEU  21           HG       LEU  21   2.989 -18.291 -29.503
  162   HD11  LEU  21          1HD1      LEU  21   4.634 -19.199 -31.049
  163   HD12  LEU  21          2HD1      LEU  21   5.078 -17.565 -31.548
  164   HD13  LEU  21          3HD1      LEU  21   3.461 -18.182 -31.888
  165   HD21  LEU  21          3HD2      LEU  21   5.282 -18.700 -28.745
  166   HD22  LEU  21          1HD2      LEU  21   4.511 -17.393 -27.846
  167   HD23  LEU  21          2HD2      LEU  21   5.696 -17.020 -29.103
  168    H    ALA  22           H        ALA  22   3.040 -14.184 -32.247
  169    HA   ALA  22           HA       ALA  22   5.397 -14.312 -33.944
  170    HB1  ALA  22           3HB      ALA  22   2.860 -15.784 -34.672
  171    HB2  ALA  22           1HB      ALA  22   4.393 -16.525 -34.211
  172    HB3  ALA  22           2HB      ALA  22   4.279 -15.591 -35.700
  173    H    HIS  23           H        HIS  23   2.000 -13.396 -33.556
  174    HA   HIS  23           HA       HIS  23   2.158 -11.711 -35.889
  175    HB2  HIS  23           2HB      HIS  23  -0.155 -11.164 -35.546
  176    HB3  HIS  23           1HB      HIS  23   0.058 -12.899 -35.382
  177    HD1  HIS  23           1HD      HIS  23  -2.287 -12.796 -34.196
  178    HD2  HIS  23           2HD      HIS  23   0.797 -10.928 -32.123
  179    HE1  HIS  23           1HE      HIS  23  -3.166 -12.408 -31.871
  180    HE2  HIS  23           2HE      HIS  23  -1.380 -11.043 -30.731
  181    H    ALA  24           H        ALA  24   1.734  -9.459 -35.903
  182    HA   ALA  24           HA       ALA  24   2.717  -8.095 -33.483
  183    HB1  ALA  24           3HB      ALA  24   2.735  -7.201 -36.371
  184    HB2  ALA  24           1HB      ALA  24   4.130  -7.757 -35.441
  185    HB3  ALA  24           2HB      ALA  24   3.323  -6.250 -35.005
  186    H    GLN  25           H        GLN  25   0.052  -8.608 -35.523
  187    HA   GLN  25           HA       GLN  25  -1.373  -6.217 -34.662
  188    HB2  GLN  25           2HB      GLN  25  -1.510  -6.956 -37.022
  189    HB3  GLN  25           1HB      GLN  25  -2.209  -8.478 -36.495
  190    HG2  GLN  25           2HG      GLN  25  -3.999  -7.154 -37.251
  191    HG3  GLN  25           1HG      GLN  25  -4.084  -7.130 -35.492
  192   HE21  GLN  25          1HE2      GLN  25  -1.698  -5.296 -37.234
  193   HE22  GLN  25          2HE2      GLN  25  -2.370  -3.732 -36.912
  Start of MODEL    4
    1    H1   GLU   1           1HT      GLU   1  13.548   3.945 -18.325
    2    H2   GLU   1           2HT      GLU   1  12.175   4.939 -18.214
    3    H3   GLU   1           3HT      GLU   1  13.727   5.623 -18.192
    4    HA   GLU   1           HA       GLU   1  12.547   4.161 -20.468
    5    HB2  GLU   1           2HB      GLU   1  12.200   6.856 -19.579
    6    HB3  GLU   1           1HB      GLU   1  13.108   6.859 -21.089
    7    HG2  GLU   1           2HG      GLU   1  10.526   5.395 -20.677
    8    HG3  GLU   1           1HG      GLU   1  10.659   7.005 -21.382
    9    H    PHE   2           H        PHE   2  14.101   3.160 -21.451
   10    HA   PHE   2           HA       PHE   2  16.838   3.982 -21.309
   11    HB2  PHE   2           2HB      PHE   2  16.093   1.603 -21.528
   12    HB3  PHE   2           1HB      PHE   2  15.566   1.960 -23.169
   13    HD1  PHE   2           2HD      PHE   2  18.481   1.601 -20.963
   14    HD2  PHE   2           1HD      PHE   2  17.131   2.148 -24.959
   15    HE1  PHE   2           2HE      PHE   2  20.743   1.097 -21.788
   16    HE2  PHE   2           1HE      PHE   2  19.394   1.649 -25.797
   17    HZ   PHE   2           HZ       PHE   2  21.187   1.096 -24.223
   18    H    CYS   3           H        CYS   3  14.197   4.336 -23.629
   19    HA   CYS   3           HA       CYS   3  16.082   5.563 -25.490
   20    HB2  CYS   3           2HB      CYS   3  13.244   4.814 -26.093
   21    HB3  CYS   3           1HB      CYS   3  14.535   5.164 -27.241
   22    H    LEU   4           H        LEU   4  13.728   6.367 -23.242
   23    HA   LEU   4           HA       LEU   4  12.580   8.263 -22.705
   24    HB2  LEU   4           2HB      LEU   4  14.986   9.188 -23.772
   25    HB3  LEU   4           1HB      LEU   4  13.767  10.077 -24.660
   26    HG   LEU   4           HG       LEU   4  14.586  11.321 -22.714
   27   HD11  LEU   4          1HD1      LEU   4  11.701  10.473 -22.457
   28   HD12  LEU   4          2HD1      LEU   4  12.325  11.764 -23.485
   29   HD13  LEU   4          3HD1      LEU   4  12.427  11.906 -21.731
   30   HD21  LEU   4          3HD2      LEU   4  14.095  10.608 -20.459
   31   HD22  LEU   4          1HD2      LEU   4  15.097   9.406 -21.272
   32   HD23  LEU   4          2HD2      LEU   4  13.370   9.117 -21.057
   33    H    ASN   5           H        ASN   5  11.733   6.451 -24.760
   34    HA   ASN   5           HA       ASN   5   9.581   7.783 -25.915
   35    HB2  ASN   5           2HB      ASN   5  11.293   8.830 -27.367
   36    HB3  ASN   5           1HB      ASN   5  11.790   7.224 -27.907
   37   HD21  ASN   5          1HD2      ASN   5  10.189   5.914 -29.023
   38   HD22  ASN   5          2HD2      ASN   5   8.959   6.697 -29.950
   39    H    CYS   6           H        CYS   6  11.899   5.105 -26.458
   40    HA   CYS   6           HA       CYS   6  10.077   3.698 -28.127
   41    HB2  CYS   6           2HB      CYS   6  11.679   1.968 -28.278
   42    HB3  CYS   6           1HB      CYS   6  12.615   3.451 -28.163
   43    H    VAL   7           H        VAL   7  10.434   4.015 -24.813
   44    HA   VAL   7           HA       VAL   7   9.078   1.496 -24.262
   45    HB   VAL   7           HB       VAL   7  10.900   3.295 -22.686
   46   HG11  VAL   7          1HG1      VAL   7  10.372   2.030 -20.627
   47   HG12  VAL   7          2HG1      VAL   7   9.032   1.246 -21.463
   48   HG13  VAL   7          3HG1      VAL   7   8.998   2.987 -21.187
   49   HG21  VAL   7          3HG2      VAL   7  12.045   1.198 -22.189
   50   HG22  VAL   7          1HG2      VAL   7  11.848   1.427 -23.927
   51   HG23  VAL   7          2HG2      VAL   7  10.804   0.298 -23.061
   52    H    SER   8           H        SER   8   9.052   4.915 -23.394
   53    HA   SER   8           HA       SER   8   6.505   4.761 -22.105
   54    HB2  SER   8           2HB      SER   8   6.822   7.241 -21.878
   55    HB3  SER   8           1HB      SER   8   8.130   6.268 -21.206
   56    HG   SER   8           HG       SER   8   9.389   6.740 -23.000
   57    H    HIS   9           H        HIS   9   7.682   6.532 -24.971
   58    HA   HIS   9           HA       HIS   9   5.076   7.558 -25.551
   59    HB2  HIS   9           2HB      HIS   9   7.607   7.632 -27.208
   60    HB3  HIS   9           1HB      HIS   9   6.127   8.503 -27.590
   61    HD1  HIS   9           1HD      HIS   9   8.794   9.975 -27.136
   62    HD2  HIS   9           2HD      HIS   9   5.902   9.365 -24.213
   63    HE1  HIS   9           1HE      HIS   9   9.168  11.780 -25.430
   64    HE2  HIS   9           2HE      HIS   9   7.429  11.380 -23.650
   65    H    THR  10           H        THR  10   6.849   4.760 -26.536
   66    HA   THR  10           HA       THR  10   5.099   4.301 -28.810
   67    HB   THR  10           HB       THR  10   7.231   2.474 -27.685
   68    HG1  THR  10           1HG      THR  10   7.962   3.686 -29.980
   69   HG21  THR  10          3HG2      THR  10   5.578   1.398 -29.171
   70   HG22  THR  10          1HG2      THR  10   7.193   1.441 -29.893
   71   HG23  THR  10          2HG2      THR  10   5.956   2.581 -30.421
   72    H    ALA  11           H        ALA  11   5.964   2.795 -25.747
   73    HA   ALA  11           HA       ALA  11   4.864   1.530 -24.250
   74    HB1  ALA  11           3HB      ALA  11   2.465   1.655 -24.035
   75    HB2  ALA  11           1HB      ALA  11   2.342   2.339 -25.656
   76    HB3  ALA  11           2HB      ALA  11   3.129   3.254 -24.369
   77    H    SER  12           H        SER  12   3.549   0.983 -27.432
   78    HA   SER  12           HA       SER  12   2.694  -1.597 -27.227
   79    HB2  SER  12           2HB      SER  12   4.188  -0.255 -29.473
   80    HB3  SER  12           1HB      SER  12   3.249  -1.719 -29.608
   81    HG   SER  12           HG       SER  12   2.290   0.544 -30.067
   82    H    TYR  13           H        TYR  13   5.994  -0.441 -27.712
   83    HA   TYR  13           HA       TYR  13   7.181  -2.929 -28.257
   84    HB2  TYR  13           2HB      TYR  13   8.262  -0.842 -28.843
   85    HB3  TYR  13           1HB      TYR  13   8.345  -0.369 -27.152
   86    HD1  TYR  13           2HD      TYR  13   9.484  -3.104 -29.426
   87    HD2  TYR  13           1HD      TYR  13  10.331  -0.720 -25.994
   88    HE1  TYR  13           2HE      TYR  13  11.702  -4.149 -29.246
   89    HE2  TYR  13           1HE      TYR  13  12.552  -1.762 -25.817
   90    HH   TYR  13           HH       TYR  13  13.721  -3.726 -26.484
   91    H    LEU  14           H        LEU  14   6.344  -1.354 -25.256
   92    HA   LEU  14           HA       LEU  14   7.986  -3.214 -23.721
   93    HB2  LEU  14           2HB      LEU  14   8.001  -0.816 -23.175
   94    HB3  LEU  14           1HB      LEU  14   6.286  -0.890 -22.822
   95    HG   LEU  14           HG       LEU  14   6.779  -2.469 -20.962
   96   HD11  LEU  14          1HD1      LEU  14   9.076  -2.717 -20.189
   97   HD12  LEU  14          2HD1      LEU  14   9.654  -1.776 -21.564
   98   HD13  LEU  14          3HD1      LEU  14   8.906  -3.353 -21.824
   99   HD21  LEU  14          3HD2      LEU  14   6.482  -0.107 -20.523
  100   HD22  LEU  14          1HD2      LEU  14   8.182   0.197 -20.884
  101   HD23  LEU  14          2HD2      LEU  14   7.738  -0.763 -19.473
  102    H    ARG  15           H        ARG  15   4.662  -2.659 -24.571
  103    HA   ARG  15           HA       ARG  15   3.651  -4.268 -22.381
  104    HB2  ARG  15           2HB      ARG  15   2.401  -2.287 -23.106
  105    HB3  ARG  15           1HB      ARG  15   2.188  -3.003 -24.697
  106    HG2  ARG  15           2HG      ARG  15   0.873  -4.806 -23.730
  107    HG3  ARG  15           1HG      ARG  15   1.121  -4.128 -22.120
  108    HD2  ARG  15           2HD      ARG  15  -0.047  -2.094 -22.795
  109    HD3  ARG  15           1HD      ARG  15  -0.298  -2.767 -24.406
  110    HE   ARG  15           HE       ARG  15  -1.325  -4.467 -22.353
  111   HH11  ARG  15          1HH1      ARG  15  -2.032  -1.603 -24.250
  112   HH12  ARG  15          2HH1      ARG  15  -3.758  -1.766 -24.068
  113   HH21  ARG  15          1HH2      ARG  15  -3.565  -4.680 -22.109
  114   HH22  ARG  15          2HH2      ARG  15  -4.633  -3.511 -22.849
  115    H    LEU  16           H        LEU  16   3.724  -4.503 -25.935
  116    HA   LEU  16           HA       LEU  16   2.704  -7.228 -25.750
  117    HB2  LEU  16           2HB      LEU  16   3.384  -5.513 -28.143
  118    HB3  LEU  16           1HB      LEU  16   2.736  -7.140 -28.244
  119    HG   LEU  16           HG       LEU  16   1.335  -4.736 -27.064
  120   HD11  LEU  16          1HD1      LEU  16   1.464  -4.686 -29.499
  121   HD12  LEU  16          2HD1      LEU  16  -0.188  -4.978 -28.950
  122   HD13  LEU  16          3HD1      LEU  16   0.787  -6.311 -29.573
  123   HD21  LEU  16          3HD2      LEU  16   0.708  -6.725 -25.849
  124   HD22  LEU  16          1HD2      LEU  16   0.410  -7.587 -27.359
  125   HD23  LEU  16          2HD2      LEU  16  -0.617  -6.229 -26.902
  126    H    TRP  17           H        TRP  17   5.330  -5.777 -27.635
  127    HA   TRP  17           HA       TRP  17   7.349  -6.537 -28.301
  128    HB2  TRP  17           2HB      TRP  17   7.794  -6.075 -25.887
  129    HB3  TRP  17           1HB      TRP  17   7.494  -7.776 -25.547
  130    HD1  TRP  17           HD       TRP  17   9.942  -5.551 -27.552
  131    HE1  TRP  17           1HE      TRP  17  12.198  -6.779 -27.769
  132    HE3  TRP  17           3HE      TRP  17   8.661 -10.004 -25.358
  133    HZ2  TRP  17           2HZ      TRP  17  13.281  -9.290 -27.096
  134    HZ3  TRP  17           3HZ      TRP  17  10.377 -11.762 -25.189
  135    HH2  TRP  17           HH       TRP  17  12.635 -11.407 -26.041
  136    H    ALA  18           H        ALA  18   6.564  -7.914 -29.906
  137    HA   ALA  18           HA       ALA  18   7.145 -10.720 -29.360
  138    HB1  ALA  18           3HB      ALA  18   4.664  -9.799 -30.803
  139    HB2  ALA  18           1HB      ALA  18   4.714 -10.549 -29.205
  140    HB3  ALA  18           2HB      ALA  18   5.194 -11.469 -30.631
  141    H    LEU  19           H        LEU  19   8.797 -11.159 -30.634
  142    HA   LEU  19           HA       LEU  19  10.157 -11.325 -32.446
  143    HB2  LEU  19           2HB      LEU  19   7.698 -10.555 -34.017
  144    HB3  LEU  19           1HB      LEU  19   9.177 -11.212 -34.691
  145    HG   LEU  19           HG       LEU  19   7.283 -12.656 -32.835
  146   HD11  LEU  19          1HD1      LEU  19   7.908 -13.046 -35.760
  147   HD12  LEU  19          2HD1      LEU  19   6.422 -12.361 -35.105
  148   HD13  LEU  19          3HD1      LEU  19   6.832 -14.049 -34.789
  149   HD21  LEU  19          3HD2      LEU  19   9.576 -13.347 -32.432
  150   HD22  LEU  19          1HD2      LEU  19   9.835 -13.580 -34.160
  151   HD23  LEU  19          2HD2      LEU  19   8.702 -14.617 -33.290
  152    H    SER  20           H        SER  20   9.755  -8.795 -31.039
  153    HA   SER  20           HA       SER  20  10.314  -6.834 -33.128
  154    HB2  SER  20           2HB      SER  20   8.548  -6.319 -31.439
  155    HB3  SER  20           1HB      SER  20   9.772  -6.397 -30.175
  156    HG   SER  20           HG       SER  20   9.960  -4.348 -30.597
  157    H    LEU  21           H        LEU  21  11.881  -5.052 -32.123
  158    HA   LEU  21           HA       LEU  21  14.141  -6.201 -30.725
  159    HB2  LEU  21           2HB      LEU  21  14.560  -6.827 -33.065
  160    HB3  LEU  21           1HB      LEU  21  14.405  -5.149 -33.544
  161    HG   LEU  21           HG       LEU  21  16.375  -4.608 -32.121
  162   HD11  LEU  21          1HD1      LEU  21  16.235  -6.517 -30.600
  163   HD12  LEU  21          2HD1      LEU  21  17.812  -6.422 -31.378
  164   HD13  LEU  21          3HD1      LEU  21  16.630  -7.610 -31.928
  165   HD21  LEU  21          3HD2      LEU  21  18.020  -5.534 -33.671
  166   HD22  LEU  21          1HD2      LEU  21  16.600  -4.926 -34.522
  167   HD23  LEU  21          2HD2      LEU  21  16.813  -6.661 -34.286
  168    H    ALA  22           H        ALA  22  13.316  -3.422 -32.825
  169    HA   ALA  22           HA       ALA  22  13.554  -1.693 -30.475
  170    HB1  ALA  22           3HB      ALA  22  15.729  -1.548 -31.582
  171    HB2  ALA  22           1HB      ALA  22  14.851  -0.023 -31.698
  172    HB3  ALA  22           2HB      ALA  22  14.935  -1.099 -33.092
  173    H    HIS  23           H        HIS  23  12.617  -1.984 -33.868
  174    HA   HIS  23           HA       HIS  23  10.194  -0.518 -33.241
  175    HB2  HIS  23           2HB      HIS  23  10.334   0.779 -35.340
  176    HB3  HIS  23           1HB      HIS  23  11.581   1.212 -34.183
  177    HD1  HIS  23           1HD      HIS  23  14.010   0.879 -34.870
  178    HD2  HIS  23           2HD      HIS  23  11.282  -0.574 -37.664
  179    HE1  HIS  23           1HE      HIS  23  15.360   0.333 -36.924
  180    HE2  HIS  23           2HE      HIS  23  13.720  -0.687 -38.543
  181    H    ALA  24           H        ALA  24   8.480  -1.580 -33.944
  182    HA   ALA  24           HA       ALA  24   8.848  -3.804 -35.775
  183    HB1  ALA  24           3HB      ALA  24   7.528  -4.072 -33.712
  184    HB2  ALA  24           1HB      ALA  24   6.602  -4.441 -35.167
  185    HB3  ALA  24           2HB      ALA  24   6.360  -2.905 -34.331
  186    H    GLN  25           H        GLN  25   8.429  -0.622 -36.169
  187    HA   GLN  25           HA       GLN  25   6.649  -0.864 -38.484
  188    HB2  GLN  25           2HB      GLN  25   6.015   0.753 -36.701
  189    HB3  GLN  25           1HB      GLN  25   7.534   1.593 -36.971
  190    HG2  GLN  25           2HG      GLN  25   6.833   2.041 -39.292
  191    HG3  GLN  25           1HG      GLN  25   5.280   1.281 -38.941
  192   HE21  GLN  25          1HE2      GLN  25   5.787   3.984 -39.789
  193   HE22  GLN  25          2HE2      GLN  25   5.210   5.033 -38.526
  Start of MODEL    5
    1    H1   GLU   1           1HT      GLU   1  15.693   1.628 -22.915
    2    H2   GLU   1           2HT      GLU   1  15.065   3.097 -22.341
    3    H3   GLU   1           3HT      GLU   1  16.728   2.945 -22.649
    4    HA   GLU   1           HA       GLU   1  14.624   2.736 -24.717
    5    HB2  GLU   1           2HB      GLU   1  14.708   5.003 -23.876
    6    HB3  GLU   1           1HB      GLU   1  16.462   5.019 -23.979
    7    HG2  GLU   1           2HG      GLU   1  15.446   6.282 -25.786
    8    HG3  GLU   1           1HG      GLU   1  16.341   4.894 -26.399
    9    H    PHE   2           H        PHE   2  15.341   2.140 -26.675
   10    HA   PHE   2           HA       PHE   2  18.143   1.300 -26.846
   11    HB2  PHE   2           2HB      PHE   2  16.360  -0.386 -27.294
   12    HB3  PHE   2           1HB      PHE   2  15.818   0.591 -28.656
   13    HD1  PHE   2           1HD      PHE   2  18.729  -1.323 -27.347
   14    HD2  PHE   2           2HD      PHE   2  16.801   0.370 -30.747
   15    HE1  PHE   2           1HE      PHE   2  20.311  -2.487 -28.826
   16    HE2  PHE   2           2HE      PHE   2  18.379  -0.794 -32.230
   17    HZ   PHE   2           HZ       PHE   2  20.212  -2.194 -31.215
   18    H    CYS   3           H        CYS   3  15.763   3.419 -28.265
   19    HA   CYS   3           HA       CYS   3  17.799   4.376 -30.143
   20    HB2  CYS   3           2HB      CYS   3  14.856   4.852 -30.429
   21    HB3  CYS   3           1HB      CYS   3  16.103   5.050 -31.655
   22    H    LEU   4           H        LEU   4  14.827   5.906 -29.233
   23    HA   LEU   4           HA       LEU   4  15.642   7.745 -27.331
   24    HB2  LEU   4           2HB      LEU   4  17.149   8.501 -29.237
   25    HB3  LEU   4           1HB      LEU   4  15.699   8.927 -30.123
   26    HG   LEU   4           HG       LEU   4  15.135  10.575 -28.344
   27   HD11  LEU   4          1HD1      LEU   4  16.297   9.545 -26.478
   28   HD12  LEU   4          2HD1      LEU   4  16.879  11.191 -26.730
   29   HD13  LEU   4          3HD1      LEU   4  17.849   9.822 -27.270
   30   HD21  LEU   4          3HD2      LEU   4  17.870  10.917 -29.577
   31   HD22  LEU   4          1HD2      LEU   4  16.841  12.209 -28.958
   32   HD23  LEU   4          2HD2      LEU   4  16.332  11.272 -30.362
   33    H    ASN   5           H        ASN   5  13.467   6.064 -28.239
   34    HA   ASN   5           HA       ASN   5  11.130   7.460 -28.057
   35    HB2  ASN   5           2HB      ASN   5  11.775   8.762 -30.014
   36    HB3  ASN   5           1HB      ASN   5  12.061   7.280 -30.933
   37   HD21  ASN   5          1HD2      ASN   5  10.237   5.958 -31.485
   38   HD22  ASN   5          2HD2      ASN   5   8.660   6.684 -31.624
   39    H    CYS   6           H        CYS   6  12.781   5.009 -30.004
   40    HA   CYS   6           HA       CYS   6  10.487   3.582 -30.771
   41    HB2  CYS   6           2HB      CYS   6  11.970   1.874 -31.568
   42    HB3  CYS   6           1HB      CYS   6  12.740   3.428 -31.878
   43    H    VAL   7           H        VAL   7  12.241   3.619 -27.833
   44    HA   VAL   7           HA       VAL   7  10.837   1.189 -26.996
   45    HB   VAL   7           HB       VAL   7  13.469   2.362 -26.137
   46   HG11  VAL   7          1HG1      VAL   7  13.554   0.752 -24.302
   47   HG12  VAL   7          2HG1      VAL   7  11.933   0.178 -24.696
   48   HG13  VAL   7          3HG1      VAL   7  12.165   1.819 -24.094
   49   HG21  VAL   7          3HG2      VAL   7  14.249   0.082 -26.626
   50   HG22  VAL   7          1HG2      VAL   7  13.443   0.806 -28.018
   51   HG23  VAL   7          2HG2      VAL   7  12.602  -0.393 -27.039
   52    H    SER   8           H        SER   8  11.846   4.394 -25.813
   53    HA   SER   8           HA       SER   8  10.231   4.113 -23.465
   54    HB2  SER   8           2HB      SER   8  11.721   6.504 -24.539
   55    HB3  SER   8           1HB      SER   8  10.970   6.409 -22.944
   56    HG   SER   8           HG       SER   8  12.389   4.351 -22.868
   57    H    HIS   9           H        HIS   9   9.693   5.445 -26.622
   58    HA   HIS   9           HA       HIS   9   7.338   6.906 -25.595
   59    HB2  HIS   9           2HB      HIS   9   8.996   7.338 -28.083
   60    HB3  HIS   9           1HB      HIS   9   7.439   8.121 -27.825
   61    HD1  HIS   9           1HD      HIS   9   7.439  10.234 -26.534
   62    HD2  HIS   9           2HD      HIS   9  11.003   8.128 -26.111
   63    HE1  HIS   9           1HE      HIS   9   8.984  11.759 -25.256
   64    HE2  HIS   9           2HE      HIS   9  11.122  10.446 -24.961
   65    H    THR  10           H        THR  10   7.790   3.979 -26.577
   66    HA   THR  10           HA       THR  10   5.861   3.986 -28.762
   67    HB   THR  10           HB       THR  10   7.763   2.589 -29.193
   68    HG1  THR  10           1HG      THR  10   5.435   1.795 -29.564
   69   HG21  THR  10          3HG2      THR  10   7.074   1.119 -26.656
   70   HG22  THR  10          1HG2      THR  10   8.475   2.165 -26.896
   71   HG23  THR  10          2HG2      THR  10   8.329   0.662 -27.804
   72    H    ALA  11           H        ALA  11   6.291   2.631 -25.523
   73    HA   ALA  11           HA       ALA  11   4.868   1.753 -23.991
   74    HB1  ALA  11           3HB      ALA  11   2.634   2.959 -25.618
   75    HB2  ALA  11           1HB      ALA  11   3.544   3.798 -24.363
   76    HB3  ALA  11           2HB      ALA  11   2.549   2.405 -23.945
   77    H    SER  12           H        SER  12   3.600   1.338 -27.275
   78    HA   SER  12           HA       SER  12   2.156  -1.016 -26.897
   79    HB2  SER  12           2HB      SER  12   2.138   0.459 -28.934
   80    HB3  SER  12           1HB      SER  12   3.702  -0.216 -29.377
   81    HG   SER  12           HG       SER  12   2.612  -1.735 -30.302
   82    H    TYR  13           H        TYR  13   5.478  -0.611 -28.105
   83    HA   TYR  13           HA       TYR  13   6.113  -3.324 -28.311
   84    HB2  TYR  13           2HB      TYR  13   7.436  -1.582 -29.384
   85    HB3  TYR  13           1HB      TYR  13   7.916  -0.946 -27.815
   86    HD1  TYR  13           2HD      TYR  13   8.177  -3.978 -29.971
   87    HD2  TYR  13           1HD      TYR  13   9.861  -1.729 -26.768
   88    HE1  TYR  13           2HE      TYR  13  10.150  -5.446 -29.983
   89    HE2  TYR  13           1HE      TYR  13  11.834  -3.193 -26.775
   90    HH   TYR  13           HH       TYR  13  12.493  -5.388 -29.292
   91    H    LEU  14           H        LEU  14   6.219  -1.158 -25.564
   92    HA   LEU  14           HA       LEU  14   7.746  -2.815 -23.840
   93    HB2  LEU  14           2HB      LEU  14   5.714  -0.685 -23.158
   94    HB3  LEU  14           1HB      LEU  14   6.872  -1.383 -22.040
   95    HG   LEU  14           HG       LEU  14   7.570   0.253 -24.479
   96   HD11  LEU  14          1HD1      LEU  14   6.518   1.578 -22.718
   97   HD12  LEU  14          2HD1      LEU  14   8.231   1.964 -22.874
   98   HD13  LEU  14          3HD1      LEU  14   7.673   0.944 -21.547
   99   HD21  LEU  14          3HD2      LEU  14   9.309  -0.854 -22.274
  100   HD22  LEU  14          1HD2      LEU  14   9.846   0.210 -23.574
  101   HD23  LEU  14          2HD2      LEU  14   9.271  -1.418 -23.946
  102    H    ARG  15           H        ARG  15   4.276  -2.419 -24.412
  103    HA   ARG  15           HA       ARG  15   3.398  -4.301 -22.491
  104    HB2  ARG  15           2HB      ARG  15   2.113  -3.388 -25.074
  105    HB3  ARG  15           1HB      ARG  15   1.311  -4.407 -23.888
  106    HG2  ARG  15           2HG      ARG  15   1.481  -2.611 -22.237
  107    HG3  ARG  15           1HG      ARG  15   2.288  -1.591 -23.430
  108    HD2  ARG  15           2HD      ARG  15   0.326  -1.658 -24.856
  109    HD3  ARG  15           1HD      ARG  15  -0.482  -2.746 -23.730
  110    HE   ARG  15           HE       ARG  15  -0.118  -0.705 -22.120
  111   HH11  ARG  15          1HH1      ARG  15  -0.922  -0.621 -25.527
  112   HH12  ARG  15          2HH1      ARG  15  -1.867   0.842 -25.408
  113   HH21  ARG  15          1HH2      ARG  15  -1.430   1.172 -21.929
  114   HH22  ARG  15          2HH2      ARG  15  -2.176   1.850 -23.355
  115    H    LEU  16           H        LEU  16   4.252  -4.583 -25.920
  116    HA   LEU  16           HA       LEU  16   3.500  -7.280 -26.226
  117    HB2  LEU  16           2HB      LEU  16   5.610  -5.720 -27.724
  118    HB3  LEU  16           1HB      LEU  16   4.917  -7.247 -28.238
  119    HG   LEU  16           HG       LEU  16   3.406  -4.645 -27.950
  120   HD11  LEU  16          1HD1      LEU  16   3.247  -4.719 -30.386
  121   HD12  LEU  16          2HD1      LEU  16   4.257  -6.161 -30.415
  122   HD13  LEU  16          3HD1      LEU  16   4.926  -4.628 -29.858
  123   HD21  LEU  16          3HD2      LEU  16   1.562  -5.853 -29.010
  124   HD22  LEU  16          1HD2      LEU  16   2.005  -6.569 -27.459
  125   HD23  LEU  16          2HD2      LEU  16   2.515  -7.338 -28.961
  126    H    TRP  17           H        TRP  17   6.453  -5.744 -25.143
  127    HA   TRP  17           HA       TRP  17   8.203  -7.928 -25.217
  128    HB2  TRP  17           2HB      TRP  17   8.811  -5.517 -24.854
  129    HB3  TRP  17           1HB      TRP  17   8.230  -5.666 -23.202
  130    HD1  TRP  17           HD       TRP  17  11.092  -6.773 -25.483
  131    HE1  TRP  17           1HE      TRP  17  13.050  -7.624 -24.036
  132    HE3  TRP  17           3HE      TRP  17   8.806  -6.676 -20.913
  133    HZ2  TRP  17           2HZ      TRP  17  13.541  -8.189 -21.320
  134    HZ3  TRP  17           3HZ      TRP  17  10.095  -7.393 -18.941
  135    HH2  TRP  17           HH       TRP  17  12.414  -8.131 -19.145
  136    H    ALA  18           H        ALA  18   5.587  -7.246 -23.122
  137    HA   ALA  18           HA       ALA  18   6.556  -8.712 -20.850
  138    HB1  ALA  18           3HB      ALA  18   5.009  -6.824 -20.608
  139    HB2  ALA  18           1HB      ALA  18   4.352  -8.302 -19.905
  140    HB3  ALA  18           2HB      ALA  18   3.774  -7.735 -21.473
  141    H    LEU  19           H        LEU  19   4.573  -9.290 -23.642
  142    HA   LEU  19           HA       LEU  19   4.001 -12.021 -22.784
  143    HB2  LEU  19           2HB      LEU  19   3.179 -10.511 -25.277
  144    HB3  LEU  19           1HB      LEU  19   2.681 -12.146 -24.881
  145    HG   LEU  19           HG       LEU  19   1.994  -9.679 -23.278
  146   HD11  LEU  19          1HD1      LEU  19  -0.298 -10.083 -24.049
  147   HD12  LEU  19          2HD1      LEU  19   0.292 -11.365 -25.108
  148   HD13  LEU  19          3HD1      LEU  19   0.795  -9.695 -25.377
  149   HD21  LEU  19          3HD2      LEU  19   1.110 -12.542 -22.965
  150   HD22  LEU  19          1HD2      LEU  19   0.507 -11.167 -22.040
  151   HD23  LEU  19          2HD2      LEU  19   2.192 -11.663 -21.882
  152    H    SER  20           H        SER  20   6.592 -10.560 -23.843
  153    HA   SER  20           HA       SER  20   7.288 -12.386 -25.995
  154    HB2  SER  20           2HB      SER  20   8.754 -10.010 -24.831
  155    HB3  SER  20           1HB      SER  20   9.343 -10.990 -26.167
  156    HG   SER  20           HG       SER  20   6.852  -9.633 -26.175
  157    H    LEU  21           H        LEU  21   7.167 -12.678 -22.830
  158    HA   LEU  21           HA       LEU  21   8.071 -14.058 -21.280
  159    HB2  LEU  21           2HB      LEU  21   9.769 -15.118 -23.541
  160    HB3  LEU  21           1HB      LEU  21   9.601 -15.850 -21.959
  161    HG   LEU  21           HG       LEU  21   7.391 -15.538 -23.992
  162   HD11  LEU  21          1HD1      LEU  21   7.534 -17.958 -24.207
  163   HD12  LEU  21          2HD1      LEU  21   8.885 -17.991 -23.075
  164   HD13  LEU  21          3HD1      LEU  21   9.064 -17.198 -24.639
  165   HD21  LEU  21          3HD2      LEU  21   7.403 -16.909 -21.304
  166   HD22  LEU  21          1HD2      LEU  21   6.086 -16.946 -22.476
  167   HD23  LEU  21          2HD2      LEU  21   6.544 -15.423 -21.712
  168    H    ALA  22           H        ALA  22  10.362 -14.744 -20.351
  169    HA   ALA  22           HA       ALA  22  12.234 -12.511 -20.704
  170    HB1  ALA  22           3HB      ALA  22  11.211 -13.413 -18.013
  171    HB2  ALA  22           1HB      ALA  22  10.725 -11.937 -18.846
  172    HB3  ALA  22           2HB      ALA  22  12.395 -12.138 -18.314
  173    H    HIS  23           H        HIS  23  11.627 -15.700 -19.294
  174    HA   HIS  23           HA       HIS  23  14.482 -16.272 -19.608
  175    HB2  HIS  23           2HB      HIS  23  14.430 -17.695 -17.645
  176    HB3  HIS  23           1HB      HIS  23  13.904 -16.072 -17.222
  177    HD1  HIS  23           1HD      HIS  23  11.844 -15.974 -15.835
  178    HD2  HIS  23           2HD      HIS  23  12.071 -19.514 -18.021
  179    HE1  HIS  23           1HE      HIS  23   9.904 -17.383 -15.064
  180    HE2  HIS  23           2HE      HIS  23  10.149 -19.582 -16.290
  181    H    ALA  24           H        ALA  24  14.695 -18.868 -19.323
  182    HA   ALA  24           HA       ALA  24  14.379 -20.917 -20.239
  183    HB1  ALA  24           3HB      ALA  24  12.128 -20.818 -19.247
  184    HB2  ALA  24           1HB      ALA  24  12.145 -21.702 -20.772
  185    HB3  ALA  24           2HB      ALA  24  11.526 -20.052 -20.718
  186    H    GLN  25           H        GLN  25  15.283 -18.662 -21.792
  187    HA   GLN  25           HA       GLN  25  14.303 -19.218 -24.481
  188    HB2  GLN  25           2HB      GLN  25  14.551 -16.867 -23.834
  189    HB3  GLN  25           1HB      GLN  25  16.245 -17.141 -23.452
  190    HG2  GLN  25           2HG      GLN  25  16.721 -17.612 -25.784
  191    HG3  GLN  25           1HG      GLN  25  15.016 -17.417 -26.186
  192   HE21  GLN  25          1HE2      GLN  25  14.622 -15.174 -24.414
  193   HE22  GLN  25          2HE2      GLN  25  15.404 -13.807 -25.141
  Start of MODEL    6
    1    H1   GLU   1           1HT      GLU   1  14.722   3.288 -19.239
    2    H2   GLU   1           2HT      GLU   1  13.309   4.147 -18.852
    3    H3   GLU   1           3HT      GLU   1  14.829   4.840 -18.563
    4    HA   GLU   1           HA       GLU   1  13.754   4.134 -21.225
    5    HB2  GLU   1           2HB      GLU   1  13.377   6.493 -19.572
    6    HB3  GLU   1           1HB      GLU   1  14.129   6.890 -21.115
    7    HG2  GLU   1           2HG      GLU   1  11.608   5.281 -20.813
    8    HG3  GLU   1           1HG      GLU   1  11.666   7.013 -21.147
    9    H    PHE   2           H        PHE   2  15.180   4.009 -22.756
   10    HA   PHE   2           HA       PHE   2  17.863   5.107 -22.294
   11    HB2  PHE   2           2HB      PHE   2  17.668   2.623 -22.625
   12    HB3  PHE   2           1HB      PHE   2  17.058   2.939 -24.244
   13    HD1  PHE   2           2HD      PHE   2  19.979   3.611 -22.043
   14    HD2  PHE   2           1HD      PHE   2  18.527   3.140 -26.014
   15    HE1  PHE   2           2HE      PHE   2  22.285   3.700 -22.896
   16    HE2  PHE   2           1HE      PHE   2  20.826   3.223 -26.875
   17    HZ   PHE   2           HZ       PHE   2  22.717   3.511 -25.290
   18    H    CYS   3           H        CYS   3  15.013   5.226 -24.254
   19    HA   CYS   3           HA       CYS   3  16.450   6.790 -26.267
   20    HB2  CYS   3           2HB      CYS   3  15.137   4.724 -26.940
   21    HB3  CYS   3           1HB      CYS   3  13.689   5.646 -26.556
   22    H    LEU   4           H        LEU   4  14.502   7.090 -23.616
   23    HA   LEU   4           HA       LEU   4  13.406   8.806 -22.632
   24    HB2  LEU   4           2HB      LEU   4  14.877  10.323 -24.776
   25    HB3  LEU   4           1HB      LEU   4  13.762  11.135 -23.698
   26    HG   LEU   4           HG       LEU   4  15.951  11.483 -22.853
   27   HD11  LEU   4          1HD1      LEU   4  14.597   9.337 -21.236
   28   HD12  LEU   4          2HD1      LEU   4  14.299  11.073 -21.143
   29   HD13  LEU   4          3HD1      LEU   4  15.859  10.420 -20.646
   30   HD21  LEU   4          3HD2      LEU   4  17.150   9.726 -23.995
   31   HD22  LEU   4          1HD2      LEU   4  16.352   8.501 -23.005
   32   HD23  LEU   4          2HD2      LEU   4  17.470   9.644 -22.263
   33    H    ASN   5           H        ASN   5  12.106   7.176 -24.568
   34    HA   ASN   5           HA       ASN   5   9.690   8.327 -25.036
   35    HB2  ASN   5           2HB      ASN   5  10.697  10.003 -26.476
   36    HB3  ASN   5           1HB      ASN   5  11.516   8.746 -27.409
   37   HD21  ASN   5          1HD2      ASN   5  10.256   7.339 -28.708
   38   HD22  ASN   5          2HD2      ASN   5   8.697   7.823 -29.280
   39    H    CYS   6           H        CYS   6  12.170   6.388 -26.627
   40    HA   CYS   6           HA       CYS   6  10.269   4.913 -28.158
   41    HB2  CYS   6           2HB      CYS   6  13.173   4.237 -27.742
   42    HB3  CYS   6           1HB      CYS   6  12.139   3.767 -29.090
   43    H    VAL   7           H        VAL   7  11.001   4.744 -24.996
   44    HA   VAL   7           HA       VAL   7  10.416   1.880 -24.927
   45    HB   VAL   7           HB       VAL   7  12.209   3.527 -23.159
   46   HG11  VAL   7          1HG1      VAL   7  11.113   0.766 -22.549
   47   HG12  VAL   7          2HG1      VAL   7  10.765   2.243 -21.651
   48   HG13  VAL   7          3HG1      VAL   7  12.398   1.579 -21.657
   49   HG21  VAL   7          3HG2      VAL   7  13.172   2.485 -25.143
   50   HG22  VAL   7          1HG2      VAL   7  12.584   0.912 -24.609
   51   HG23  VAL   7          2HG2      VAL   7  13.810   1.760 -23.667
   52    H    SER   8           H        SER   8  10.053   4.931 -23.183
   53    HA   SER   8           HA       SER   8   7.949   3.855 -21.553
   54    HB2  SER   8           2HB      SER   8   9.634   5.538 -20.752
   55    HB3  SER   8           1HB      SER   8   8.835   6.732 -21.772
   56    HG   SER   8           HG       SER   8   6.964   6.503 -20.550
   57    H    HIS   9           H        HIS   9   8.201   6.126 -24.257
   58    HA   HIS   9           HA       HIS   9   5.349   6.721 -24.106
   59    HB2  HIS   9           2HB      HIS   9   7.530   7.806 -25.898
   60    HB3  HIS   9           1HB      HIS   9   5.850   8.322 -25.966
   61    HD1  HIS   9           1HD      HIS   9   8.258  10.218 -25.353
   62    HD2  HIS   9           2HD      HIS   9   5.754   8.516 -22.504
   63    HE1  HIS   9           1HE      HIS   9   8.451  11.687 -23.321
   64    HE2  HIS   9           2HE      HIS   9   6.971  10.616 -21.586
   65    H    THR  10           H        THR  10   6.755   4.116 -25.220
   66    HA   THR  10           HA       THR  10   5.786   4.197 -27.960
   67    HB   THR  10           HB       THR  10   7.925   3.133 -27.669
   68    HG1  THR  10           1HG      THR  10   6.856   2.069 -29.260
   69   HG21  THR  10          3HG2      THR  10   7.763   2.472 -25.346
   70   HG22  THR  10          1HG2      THR  10   8.189   1.078 -26.340
   71   HG23  THR  10          2HG2      THR  10   6.538   1.267 -25.745
   72    H    ALA  11           H        ALA  11   5.165   2.439 -24.960
   73    HA   ALA  11           HA       ALA  11   3.452   1.150 -24.218
   74    HB1  ALA  11           3HB      ALA  11   2.158   3.185 -24.617
   75    HB2  ALA  11           1HB      ALA  11   1.196   1.733 -24.897
   76    HB3  ALA  11           2HB      ALA  11   1.827   2.648 -26.264
   77    H    SER  12           H        SER  12   4.792   0.640 -27.113
   78    HA   SER  12           HA       SER  12   3.055  -1.640 -27.769
   79    HB2  SER  12           2HB      SER  12   3.019   0.331 -29.392
   80    HB3  SER  12           1HB      SER  12   4.694  -0.063 -29.759
   81    HG   SER  12           HG       SER  12   4.085  -1.889 -30.727
   82    H    TYR  13           H        TYR  13   6.331  -0.297 -28.008
   83    HA   TYR  13           HA       TYR  13   7.543  -2.814 -28.612
   84    HB2  TYR  13           2HB      TYR  13   8.512  -0.658 -29.331
   85    HB3  TYR  13           1HB      TYR  13   8.788  -0.227 -27.651
   86    HD1  TYR  13           2HD      TYR  13   9.808  -2.536 -30.360
   87    HD2  TYR  13           1HD      TYR  13  10.732  -1.004 -26.495
   88    HE1  TYR  13           2HE      TYR  13  12.026  -3.594 -30.473
   89    HE2  TYR  13           1HE      TYR  13  12.953  -2.056 -26.603
   90    HH   TYR  13           HH       TYR  13  14.307  -3.217 -29.438
   91    H    LEU  14           H        LEU  14   6.642  -1.149 -25.721
   92    HA   LEU  14           HA       LEU  14   8.353  -2.885 -24.096
   93    HB2  LEU  14           2HB      LEU  14   8.419  -0.440 -23.695
   94    HB3  LEU  14           1HB      LEU  14   6.722  -0.486 -23.254
   95    HG   LEU  14           HG       LEU  14   7.294  -1.989 -21.365
   96   HD11  LEU  14          1HD1      LEU  14  10.133  -1.401 -22.187
   97   HD12  LEU  14          2HD1      LEU  14   9.330  -2.971 -22.243
   98   HD13  LEU  14          3HD1      LEU  14   9.644  -2.193 -20.692
   99   HD21  LEU  14          3HD2      LEU  14   8.793   0.625 -21.386
  100   HD22  LEU  14          1HD2      LEU  14   8.273  -0.268 -19.959
  101   HD23  LEU  14          2HD2      LEU  14   7.073   0.435 -21.044
  102    H    ARG  15           H        ARG  15   5.146  -2.666 -25.177
  103    HA   ARG  15           HA       ARG  15   4.235  -4.430 -23.012
  104    HB2  ARG  15           2HB      ARG  15   2.767  -2.053 -24.153
  105    HB3  ARG  15           1HB      ARG  15   1.965  -3.316 -23.228
  106    HG2  ARG  15           2HG      ARG  15   3.397  -2.812 -21.302
  107    HG3  ARG  15           1HG      ARG  15   4.192  -1.541 -22.231
  108    HD2  ARG  15           2HD      ARG  15   2.476  -0.657 -20.708
  109    HD3  ARG  15           1HD      ARG  15   2.114  -0.312 -22.398
  110    HE   ARG  15           HE       ARG  15   0.860  -2.631 -21.091
  111   HH11  ARG  15          1HH1      ARG  15   0.603   0.556 -22.547
  112   HH12  ARG  15          2HH1      ARG  15  -1.127   0.470 -22.750
  113   HH21  ARG  15          1HH2      ARG  15  -1.423  -2.723 -21.309
  114   HH22  ARG  15          2HH2      ARG  15  -2.276  -1.378 -22.028
  115    H    LEU  16           H        LEU  16   3.447  -6.250 -23.688
  116    HA   LEU  16           HA       LEU  16   2.316  -7.818 -24.860
  117    HB2  LEU  16           2HB      LEU  16   0.643  -6.013 -25.314
  118    HB3  LEU  16           1HB      LEU  16   1.503  -5.659 -26.800
  119    HG   LEU  16           HG       LEU  16   1.008  -7.913 -27.628
  120   HD11  LEU  16          1HD1      LEU  16  -0.531  -9.364 -26.414
  121   HD12  LEU  16          2HD1      LEU  16  -0.534  -8.228 -25.065
  122   HD13  LEU  16          3HD1      LEU  16   0.950  -9.074 -25.500
  123   HD21  LEU  16          3HD2      LEU  16  -1.403  -7.632 -27.956
  124   HD22  LEU  16          1HD2      LEU  16  -0.541  -6.102 -28.150
  125   HD23  LEU  16          2HD2      LEU  16  -1.437  -6.430 -26.667
  126    H    TRP  17           H        TRP  17   3.574  -5.567 -27.354
  127    HA   TRP  17           HA       TRP  17   5.117  -5.837 -29.014
  128    HB2  TRP  17           2HB      TRP  17   6.490  -6.503 -27.011
  129    HB3  TRP  17           1HB      TRP  17   6.100  -8.174 -27.362
  130    HD1  TRP  17           HD       TRP  17   7.987  -5.196 -28.972
  131    HE1  TRP  17           1HE      TRP  17   9.885  -6.158 -30.440
  132    HE3  TRP  17           3HE      TRP  17   6.948 -10.179 -28.481
  133    HZ2  TRP  17           2HZ      TRP  17  10.795  -8.692 -31.278
  134    HZ3  TRP  17           3HZ      TRP  17   8.382 -11.806 -29.646
  135    HH2  TRP  17           HH       TRP  17  10.265 -11.078 -31.014
  136    H    ALA  18           H        ALA  18   2.539  -7.437 -28.919
  137    HA   ALA  18           HA       ALA  18   3.201  -9.881 -30.343
  138    HB1  ALA  18           3HB      ALA  18   0.541  -8.760 -29.480
  139    HB2  ALA  18           1HB      ALA  18   1.493  -9.966 -28.616
  140    HB3  ALA  18           2HB      ALA  18   0.801 -10.351 -30.195
  141    H    LEU  19           H        LEU  19   1.222  -6.963 -30.917
  142    HA   LEU  19           HA       LEU  19   1.233  -7.631 -33.790
  143    HB2  LEU  19           2HB      LEU  19  -0.962  -7.299 -32.621
  144    HB3  LEU  19           1HB      LEU  19  -0.513  -5.627 -32.357
  145    HG   LEU  19           HG       LEU  19  -0.416  -5.301 -34.820
  146   HD11  LEU  19          1HD1      LEU  19   0.061  -7.573 -35.505
  147   HD12  LEU  19          2HD1      LEU  19  -1.425  -7.010 -36.267
  148   HD13  LEU  19          3HD1      LEU  19  -1.503  -8.113 -34.893
  149   HD21  LEU  19          3HD2      LEU  19  -2.435  -4.692 -33.616
  150   HD22  LEU  19          1HD2      LEU  19  -3.029  -6.350 -33.731
  151   HD23  LEU  19          2HD2      LEU  19  -2.853  -5.374 -35.189
  152    H    SER  20           H        SER  20   3.075  -6.049 -31.760
  153    HA   SER  20           HA       SER  20   3.303  -3.462 -32.966
  154    HB2  SER  20           2HB      SER  20   3.887  -3.937 -30.582
  155    HB3  SER  20           1HB      SER  20   5.238  -4.926 -31.141
  156    HG   SER  20           HG       SER  20   6.288  -3.155 -31.798
  157    H    LEU  21           H        LEU  21   4.367  -2.993 -34.797
  158    HA   LEU  21           HA       LEU  21   5.822  -5.053 -36.185
  159    HB2  LEU  21           2HB      LEU  21   5.533  -2.111 -36.837
  160    HB3  LEU  21           1HB      LEU  21   6.231  -3.319 -37.895
  161    HG   LEU  21           HG       LEU  21   3.364  -3.294 -36.962
  162   HD11  LEU  21          1HD1      LEU  21   3.819  -1.446 -38.471
  163   HD12  LEU  21          2HD1      LEU  21   2.852  -2.679 -39.280
  164   HD13  LEU  21          3HD1      LEU  21   4.578  -2.549 -39.619
  165   HD21  LEU  21          3HD2      LEU  21   3.045  -5.058 -38.613
  166   HD22  LEU  21          1HD2      LEU  21   4.228  -5.543 -37.398
  167   HD23  LEU  21          2HD2      LEU  21   4.766  -5.027 -38.997
  168    H    ALA  22           H        ALA  22   7.675  -5.635 -35.224
  169    HA   ALA  22           HA       ALA  22   9.466  -3.578 -34.195
  170    HB1  ALA  22           3HB      ALA  22  10.732  -5.470 -33.262
  171    HB2  ALA  22           1HB      ALA  22   9.612  -6.588 -34.043
  172    HB3  ALA  22           2HB      ALA  22   9.037  -5.503 -32.779
  173    H    HIS  23           H        HIS  23   9.374  -6.196 -36.556
  174    HA   HIS  23           HA       HIS  23  11.909  -5.315 -37.637
  175    HB2  HIS  23           2HB      HIS  23  11.952  -7.279 -38.951
  176    HB3  HIS  23           1HB      HIS  23  11.339  -7.762 -37.380
  177    HD1  HIS  23           1HD      HIS  23  10.740  -8.229 -40.859
  178    HD2  HIS  23           2HD      HIS  23   8.314  -7.905 -37.483
  179    HE1  HIS  23           1HE      HIS  23   8.533  -9.260 -41.493
  180    HE2  HIS  23           2HE      HIS  23   7.061  -9.025 -39.456
  181    H    ALA  24           H        ALA  24  12.096  -3.954 -39.269
  182    HA   ALA  24           HA       ALA  24   9.741  -3.166 -40.799
  183    HB1  ALA  24           3HB      ALA  24  11.093  -1.351 -41.627
  184    HB2  ALA  24           1HB      ALA  24  12.553  -2.086 -40.963
  185    HB3  ALA  24           2HB      ALA  24  11.309  -1.464 -39.879
  186    H    GLN  25           H        GLN  25  12.203  -5.389 -40.983
  187    HA   GLN  25           HA       GLN  25  11.971  -5.641 -43.901
  188    HB2  GLN  25           2HB      GLN  25  14.216  -4.984 -43.169
  189    HB3  GLN  25           1HB      GLN  25  14.262  -6.346 -42.061
  190    HG2  GLN  25           2HG      GLN  25  14.230  -7.886 -43.944
  191    HG3  GLN  25           1HG      GLN  25  14.141  -6.528 -45.066
  192   HE21  GLN  25          1HE2      GLN  25  15.951  -4.933 -43.317
  193   HE22  GLN  25          2HE2      GLN  25  17.544  -5.565 -43.617
  Start of MODEL    7
    1    H1   GLU   1           1HT      GLU   1  11.469   3.773 -18.168
    2    H2   GLU   1           2HT      GLU   1   9.892   4.326 -18.480
    3    H3   GLU   1           3HT      GLU   1  11.168   5.434 -18.295
    4    HA   GLU   1           HA       GLU   1  11.151   3.395 -20.428
    5    HB2  GLU   1           2HB      GLU   1  10.477   5.313 -21.933
    6    HB3  GLU   1           1HB      GLU   1   9.221   4.597 -20.939
    7    HG2  GLU   1           2HG      GLU   1   9.548   6.458 -19.325
    8    HG3  GLU   1           1HG      GLU   1  10.623   7.207 -20.511
    9    H    PHE   2           H        PHE   2  13.066   3.189 -21.226
   10    HA   PHE   2           HA       PHE   2  15.314   4.446 -20.278
   11    HB2  PHE   2           2HB      PHE   2  15.190   2.276 -21.559
   12    HB3  PHE   2           1HB      PHE   2  15.086   3.230 -23.033
   13    HD1  PHE   2           2HD      PHE   2  17.256   2.271 -20.233
   14    HD2  PHE   2           1HD      PHE   2  17.000   4.294 -23.960
   15    HE1  PHE   2           2HE      PHE   2  19.712   2.358 -20.345
   16    HE2  PHE   2           1HE      PHE   2  19.452   4.383 -24.085
   17    HZ   PHE   2           HZ       PHE   2  20.816   3.419 -22.275
   18    H    CYS   3           H        CYS   3  13.684   5.129 -23.388
   19    HA   CYS   3           HA       CYS   3  15.451   7.411 -23.726
   20    HB2  CYS   3           2HB      CYS   3  13.383   6.688 -25.751
   21    HB3  CYS   3           1HB      CYS   3  14.984   7.369 -25.996
   22    H    LEU   4           H        LEU   4  12.965   7.143 -21.910
   23    HA   LEU   4           HA       LEU   4  11.162   8.355 -21.236
   24    HB2  LEU   4           2HB      LEU   4  12.646  10.546 -22.685
   25    HB3  LEU   4           1HB      LEU   4  11.273  10.805 -21.627
   26    HG   LEU   4           HG       LEU   4  13.933   9.656 -20.788
   27   HD11  LEU   4          1HD1      LEU   4  14.173  11.746 -19.531
   28   HD12  LEU   4          2HD1      LEU   4  12.677  12.343 -20.253
   29   HD13  LEU   4          3HD1      LEU   4  14.084  12.032 -21.271
   30   HD21  LEU   4          3HD2      LEU   4  11.489  10.360 -19.164
   31   HD22  LEU   4          1HD2      LEU   4  13.042   9.832 -18.514
   32   HD23  LEU   4          2HD2      LEU   4  12.076   8.729 -19.497
   33    H    ASN   5           H        ASN   5  10.826   6.886 -23.626
   34    HA   ASN   5           HA       ASN   5   8.448   7.798 -24.652
   35    HB2  ASN   5           2HB      ASN   5   9.733   9.662 -25.644
   36    HB3  ASN   5           1HB      ASN   5  10.739   8.497 -26.506
   37   HD21  ASN   5          1HD2      ASN   5   9.670   7.100 -28.061
   38   HD22  ASN   5          2HD2      ASN   5   8.245   7.646 -28.873
   39    H    CYS   6           H        CYS   6  11.482   6.382 -25.827
   40    HA   CYS   6           HA       CYS   6  10.336   4.772 -27.818
   41    HB2  CYS   6           2HB      CYS   6  12.473   3.767 -28.057
   42    HB3  CYS   6           1HB      CYS   6  12.796   5.422 -27.551
   43    H    VAL   7           H        VAL   7  10.382   4.452 -24.482
   44    HA   VAL   7           HA       VAL   7   9.934   1.588 -24.659
   45    HB   VAL   7           HB       VAL   7  10.895   3.329 -22.389
   46   HG11  VAL   7          1HG1      VAL   7  10.011   0.436 -22.173
   47   HG12  VAL   7          2HG1      VAL   7   9.147   1.810 -21.491
   48   HG13  VAL   7          3HG1      VAL   7  10.754   1.397 -20.898
   49   HG21  VAL   7          3HG2      VAL   7  12.732   1.672 -22.369
   50   HG22  VAL   7          1HG2      VAL   7  12.572   2.489 -23.925
   51   HG23  VAL   7          2HG2      VAL   7  11.974   0.842 -23.730
   52    H    SER   8           H        SER   8   8.629   4.424 -22.835
   53    HA   SER   8           HA       SER   8   6.299   2.780 -22.328
   54    HB2  SER   8           2HB      SER   8   7.350   3.919 -20.419
   55    HB3  SER   8           1HB      SER   8   6.954   5.475 -21.153
   56    HG   SER   8           HG       SER   8   4.698   4.221 -21.136
   57    H    HIS   9           H        HIS   9   7.065   5.894 -23.800
   58    HA   HIS   9           HA       HIS   9   4.368   6.554 -24.402
   59    HB2  HIS   9           2HB      HIS   9   7.031   7.575 -25.348
   60    HB3  HIS   9           1HB      HIS   9   5.541   8.125 -26.111
   61    HD1  HIS   9           1HD      HIS   9   7.223   8.096 -22.690
   62    HD2  HIS   9           2HD      HIS   9   4.209  10.084 -24.764
   63    HE1  HIS   9           1HE      HIS   9   6.485   9.973 -21.196
   64    HE2  HIS   9           2HE      HIS   9   4.496  10.992 -22.352
   65    H    THR  10           H        THR  10   6.651   4.464 -25.942
   66    HA   THR  10           HA       THR  10   5.239   4.430 -28.456
   67    HB   THR  10           HB       THR  10   7.382   2.552 -27.436
   68    HG1  THR  10           1HG      THR  10   7.485   5.050 -28.800
   69   HG21  THR  10          3HG2      THR  10   7.743   2.048 -29.803
   70   HG22  THR  10          1HG2      THR  10   6.418   3.125 -30.238
   71   HG23  THR  10          2HG2      THR  10   6.095   1.659 -29.315
   72    H    ALA  11           H        ALA  11   5.221   2.790 -25.445
   73    HA   ALA  11           HA       ALA  11   3.722   1.430 -24.447
   74    HB1  ALA  11           3HB      ALA  11   2.114   1.732 -26.971
   75    HB2  ALA  11           1HB      ALA  11   2.015   2.765 -25.544
   76    HB3  ALA  11           2HB      ALA  11   1.531   1.069 -25.443
   77    H    SER  12           H        SER  12   3.597   0.432 -27.848
   78    HA   SER  12           HA       SER  12   3.280  -2.311 -27.407
   79    HB2  SER  12           2HB      SER  12   3.188  -0.782 -29.567
   80    HB3  SER  12           1HB      SER  12   4.850  -1.320 -29.733
   81    HG   SER  12           HG       SER  12   2.869  -2.619 -30.627
   82    H    TYR  13           H        TYR  13   6.066  -0.301 -27.649
   83    HA   TYR  13           HA       TYR  13   7.981  -2.339 -28.031
   84    HB2  TYR  13           2HB      TYR  13   7.939   0.268 -28.499
   85    HB3  TYR  13           1HB      TYR  13   8.696   0.325 -26.924
   86    HD1  TYR  13           1HD      TYR  13  10.858  -1.141 -26.631
   87    HD2  TYR  13           2HD      TYR  13   9.187  -0.075 -30.398
   88    HE1  TYR  13           1HE      TYR  13  13.021  -1.587 -27.721
   89    HE2  TYR  13           2HE      TYR  13  11.341  -0.523 -31.491
   90    HH   TYR  13           HH       TYR  13  13.769  -2.250 -30.149
   91    H    LEU  14           H        LEU  14   6.276  -1.358 -25.257
   92    HA   LEU  14           HA       LEU  14   8.392  -2.417 -23.501
   93    HB2  LEU  14           2HB      LEU  14   7.486  -1.247 -21.694
   94    HB3  LEU  14           1HB      LEU  14   7.382  -0.124 -23.031
   95    HG   LEU  14           HG       LEU  14   4.914  -1.252 -23.145
   96   HD11  LEU  14          1HD1      LEU  14   5.691  -1.174 -20.232
   97   HD12  LEU  14          2HD1      LEU  14   5.236  -2.604 -21.164
   98   HD13  LEU  14          3HD1      LEU  14   4.048  -1.338 -20.845
   99   HD21  LEU  14          3HD2      LEU  14   4.139   0.788 -22.016
  100   HD22  LEU  14          1HD2      LEU  14   5.400   1.115 -23.203
  101   HD23  LEU  14          2HD2      LEU  14   5.791   1.104 -21.485
  102    H    ARG  15           H        ARG  15   5.100  -2.891 -24.587
  103    HA   ARG  15           HA       ARG  15   5.203  -5.643 -23.902
  104    HB2  ARG  15           2HB      ARG  15   3.512  -5.822 -22.251
  105    HB3  ARG  15           1HB      ARG  15   4.615  -4.585 -21.665
  106    HG2  ARG  15           2HG      ARG  15   3.071  -2.849 -22.444
  107    HG3  ARG  15           1HG      ARG  15   1.968  -4.099 -23.022
  108    HD2  ARG  15           2HD      ARG  15   1.918  -4.976 -20.652
  109    HD3  ARG  15           1HD      ARG  15   2.755  -3.498 -20.180
  110    HE   ARG  15           HE       ARG  15   0.082  -3.546 -21.448
  111   HH11  ARG  15          1HH1      ARG  15   2.337  -2.255 -19.094
  112   HH12  ARG  15          2HH1      ARG  15   1.258  -0.981 -18.581
  113   HH21  ARG  15          1HH2      ARG  15  -1.326  -1.937 -20.772
  114   HH22  ARG  15          2HH2      ARG  15  -0.845  -0.792 -19.546
  115    H    LEU  16           H        LEU  16   3.051  -6.715 -24.405
  116    HA   LEU  16           HA       LEU  16   2.046  -5.800 -26.897
  117    HB2  LEU  16           2HB      LEU  16   0.828  -7.816 -25.010
  118    HB3  LEU  16           1HB      LEU  16   0.424  -7.613 -26.704
  119    HG   LEU  16           HG       LEU  16   3.130  -8.494 -25.684
  120   HD11  LEU  16          1HD1      LEU  16   2.512 -10.718 -26.394
  121   HD12  LEU  16          2HD1      LEU  16   0.938 -10.138 -26.935
  122   HD13  LEU  16          3HD1      LEU  16   1.338 -10.122 -25.219
  123   HD21  LEU  16          3HD2      LEU  16   3.207  -7.372 -27.863
  124   HD22  LEU  16          1HD2      LEU  16   1.978  -8.481 -28.473
  125   HD23  LEU  16          2HD2      LEU  16   3.562  -9.093 -27.998
  126    H    TRP  17           H        TRP  17   1.230  -3.716 -26.650
  127    HA   TRP  17           HA       TRP  17  -1.427  -3.494 -25.562
  128    HB2  TRP  17           2HB      TRP  17  -0.094  -3.236 -23.523
  129    HB3  TRP  17           1HB      TRP  17   0.868  -1.978 -24.287
  130    HD1  TRP  17           HD       TRP  17  -2.997  -2.353 -23.906
  131    HE1  TRP  17           1HE      TRP  17  -3.895  -0.155 -22.896
  132    HE3  TRP  17           3HE      TRP  17   1.427   0.139 -23.324
  133    HZ2  TRP  17           2HZ      TRP  17  -2.857   2.292 -21.973
  134    HZ3  TRP  17           3HZ      TRP  17   1.388   2.407 -22.365
  135    HH2  TRP  17           HH       TRP  17  -0.712   3.461 -21.703
  136    H    ALA  18           H        ALA  18  -2.563  -2.049 -26.657
  137    HA   ALA  18           HA       ALA  18  -3.175  -0.249 -27.885
  138    HB1  ALA  18           3HB      ALA  18  -1.767   1.722 -27.998
  139    HB2  ALA  18           1HB      ALA  18  -0.388   0.788 -27.415
  140    HB3  ALA  18           2HB      ALA  18  -1.777   1.059 -26.361
  141    H    LEU  19           H        LEU  19   0.235  -0.365 -28.887
  142    HA   LEU  19           HA       LEU  19  -0.649  -0.491 -31.661
  143    HB2  LEU  19           2HB      LEU  19   2.124  -0.159 -30.506
  144    HB3  LEU  19           1HB      LEU  19   1.705  -0.043 -32.205
  145    HG   LEU  19           HG       LEU  19   0.717   1.815 -30.045
  146   HD11  LEU  19          1HD1      LEU  19   2.145   3.475 -31.163
  147   HD12  LEU  19          2HD1      LEU  19   2.791   2.202 -32.200
  148   HD13  LEU  19          3HD1      LEU  19   3.071   2.152 -30.458
  149   HD21  LEU  19          3HD2      LEU  19  -0.137   3.138 -31.943
  150   HD22  LEU  19          1HD2      LEU  19  -0.914   1.560 -31.808
  151   HD23  LEU  19          2HD2      LEU  19   0.322   1.833 -33.035
  152    H    SER  20           H        SER  20  -1.258  -2.836 -30.472
  153    HA   SER  20           HA       SER  20   0.860  -4.757 -30.821
  154    HB2  SER  20           2HB      SER  20  -0.930  -5.046 -29.120
  155    HB3  SER  20           1HB      SER  20  -2.104  -5.227 -30.423
  156    HG   SER  20           HG       SER  20  -1.489  -7.263 -29.812
  157    H    LEU  21           H        LEU  21   0.544  -6.661 -32.317
  158    HA   LEU  21           HA       LEU  21  -0.160  -5.587 -34.946
  159    HB2  LEU  21           2HB      LEU  21   1.417  -8.042 -34.175
  160    HB3  LEU  21           1HB      LEU  21   1.117  -7.525 -35.822
  161    HG   LEU  21           HG       LEU  21   2.724  -6.005 -33.762
  162   HD11  LEU  21          1HD1      LEU  21   4.630  -6.546 -35.180
  163   HD12  LEU  21          2HD1      LEU  21   3.585  -7.470 -36.258
  164   HD13  LEU  21          3HD1      LEU  21   3.847  -8.017 -34.602
  165   HD21  LEU  21          3HD2      LEU  21   1.563  -4.491 -35.277
  166   HD22  LEU  21          1HD2      LEU  21   2.170  -5.389 -36.666
  167   HD23  LEU  21          2HD2      LEU  21   3.291  -4.508 -35.627
  168    H    ALA  22           H        ALA  22  -1.410  -6.800 -36.439
  169    HA   ALA  22           HA       ALA  22  -3.381  -8.515 -35.089
  170    HB1  ALA  22           3HB      ALA  22  -3.580  -7.159 -37.772
  171    HB2  ALA  22           1HB      ALA  22  -4.231  -6.527 -36.259
  172    HB3  ALA  22           2HB      ALA  22  -4.866  -8.025 -36.934
  173    H    HIS  23           H        HIS  23  -0.747  -8.686 -37.182
  174    HA   HIS  23           HA       HIS  23  -1.247 -11.478 -37.650
  175    HB2  HIS  23           2HB      HIS  23  -1.008 -11.444 -40.044
  176    HB3  HIS  23           1HB      HIS  23  -2.310 -10.344 -39.614
  177    HD1  HIS  23           1HD      HIS  23   0.046 -10.477 -42.062
  178    HD2  HIS  23           2HD      HIS  23  -0.710  -7.590 -39.162
  179    HE1  HIS  23           1HE      HIS  23   1.019  -8.336 -42.959
  180    HE2  HIS  23           2HE      HIS  23   0.820  -6.700 -41.055
  181    H    ALA  24           H        ALA  24   0.614 -12.655 -38.136
  182    HA   ALA  24           HA       ALA  24   3.087 -11.255 -37.471
  183    HB1  ALA  24           3HB      ALA  24   4.062 -13.444 -37.144
  184    HB2  ALA  24           1HB      ALA  24   2.600 -14.216 -37.765
  185    HB3  ALA  24           2HB      ALA  24   2.547 -13.314 -36.249
  186    H    GLN  25           H        GLN  25   1.555 -12.962 -40.087
  187    HA   GLN  25           HA       GLN  25   3.884 -12.420 -41.789
  188    HB2  GLN  25           2HB      GLN  25   3.315 -14.774 -41.739
  189    HB3  GLN  25           1HB      GLN  25   1.633 -14.413 -42.091
  190    HG2  GLN  25           2HG      GLN  25   2.251 -13.607 -44.302
  191    HG3  GLN  25           1HG      GLN  25   3.950 -13.910 -43.950
  192   HE21  GLN  25          1HE2      GLN  25   0.861 -15.352 -44.639
  193   HE22  GLN  25          2HE2      GLN  25   1.453 -16.928 -45.023
  Start of MODEL    8
    1    H1   GLU   1           1HT      GLU   1   6.135   4.867 -15.397
    2    H2   GLU   1           2HT      GLU   1   5.102   4.756 -16.741
    3    H3   GLU   1           3HT      GLU   1   5.651   6.272 -16.213
    4    HA   GLU   1           HA       GLU   1   7.405   4.119 -17.248
    5    HB2  GLU   1           2HB      GLU   1   7.598   5.416 -19.276
    6    HB3  GLU   1           1HB      GLU   1   5.934   4.927 -19.001
    7    HG2  GLU   1           2HG      GLU   1   5.361   7.135 -18.256
    8    HG3  GLU   1           1HG      GLU   1   7.045   7.648 -18.374
    9    H    PHE   2           H        PHE   2   9.524   4.755 -17.596
   10    HA   PHE   2           HA       PHE   2  10.331   7.063 -15.974
   11    HB2  PHE   2           2HB      PHE   2  11.277   4.839 -15.389
   12    HB3  PHE   2           1HB      PHE   2  12.003   4.759 -16.991
   13    HD1  PHE   2           2HD      PHE   2  11.895   7.004 -14.015
   14    HD2  PHE   2           1HD      PHE   2  14.167   5.440 -17.248
   15    HE1  PHE   2           2HE      PHE   2  13.877   8.195 -13.188
   16    HE2  PHE   2           1HE      PHE   2  16.162   6.637 -16.429
   17    HZ   PHE   2           HZ       PHE   2  16.013   8.019 -14.393
   18    H    CYS   3           H        CYS   3   9.971   6.032 -19.200
   19    HA   CYS   3           HA       CYS   3  12.213   7.568 -20.191
   20    HB2  CYS   3           2HB      CYS   3  10.233   6.291 -21.981
   21    HB3  CYS   3           1HB      CYS   3  11.978   6.436 -22.167
   22    H    LEU   4           H        LEU   4   8.994   8.193 -19.484
   23    HA   LEU   4           HA       LEU   4   7.453   9.754 -20.093
   24    HB2  LEU   4           2HB      LEU   4  10.001  11.226 -20.777
   25    HB3  LEU   4           1HB      LEU   4   8.417  11.963 -20.934
   26    HG   LEU   4           HG       LEU   4   8.111  11.433 -18.441
   27   HD11  LEU   4          1HD1      LEU   4   9.987   9.857 -18.265
   28   HD12  LEU   4          2HD1      LEU   4  10.134  11.204 -17.135
   29   HD13  LEU   4          3HD1      LEU   4  11.107  11.173 -18.606
   30   HD21  LEU   4          3HD2      LEU   4   8.440  13.681 -19.268
   31   HD22  LEU   4          1HD2      LEU   4  10.183  13.427 -19.337
   32   HD23  LEU   4          2HD2      LEU   4   9.356  13.441 -17.780
   33    H    ASN   5           H        ASN   5   7.906   7.709 -21.917
   34    HA   ASN   5           HA       ASN   5   6.875   8.608 -24.334
   35    HB2  ASN   5           2HB      ASN   5   8.940   9.711 -24.840
   36    HB3  ASN   5           1HB      ASN   5   9.881   8.303 -24.342
   37   HD21  ASN   5          1HD2      ASN   5   9.917   6.471 -25.646
   38   HD22  ASN   5          2HD2      ASN   5   9.501   6.542 -27.334
   39    H    CYS   6           H        CYS   6   9.037   6.187 -22.842
   40    HA   CYS   6           HA       CYS   6   8.757   4.397 -25.005
   41    HB2  CYS   6           2HB      CYS   6   9.848   2.735 -23.618
   42    HB3  CYS   6           1HB      CYS   6  10.677   4.281 -23.503
   43    H    VAL   7           H        VAL   7   6.928   4.970 -22.127
   44    HA   VAL   7           HA       VAL   7   5.382   2.539 -22.639
   45    HB   VAL   7           HB       VAL   7   5.425   4.379 -20.246
   46   HG11  VAL   7          1HG1      VAL   7   3.862   2.812 -19.178
   47   HG12  VAL   7          2HG1      VAL   7   3.742   1.902 -20.682
   48   HG13  VAL   7          3HG1      VAL   7   3.135   3.557 -20.603
   49   HG21  VAL   7          3HG2      VAL   7   6.247   1.491 -20.596
   50   HG22  VAL   7          1HG2      VAL   7   6.282   2.390 -19.081
   51   HG23  VAL   7          2HG2      VAL   7   7.331   2.871 -20.416
   52    H    SER   8           H        SER   8   4.943   6.025 -22.185
   53    HA   SER   8           HA       SER   8   2.142   5.963 -22.682
   54    HB2  SER   8           2HB      SER   8   2.355   8.440 -22.806
   55    HB3  SER   8           1HB      SER   8   3.074   7.747 -21.352
   56    HG   SER   8           HG       SER   8   4.926   8.522 -21.940
   57    H    HIS   9           H        HIS   9   4.922   6.957 -24.678
   58    HA   HIS   9           HA       HIS   9   3.145   7.632 -26.868
   59    HB2  HIS   9           2HB      HIS   9   5.123   9.030 -26.210
   60    HB3  HIS   9           1HB      HIS   9   6.163   7.728 -26.785
   61    HD1  HIS   9           1HD      HIS   9   4.558  10.783 -27.855
   62    HD2  HIS   9           2HD      HIS   9   5.696   7.221 -29.696
   63    HE1  HIS   9           1HE      HIS   9   4.651  11.280 -30.322
   64    HE2  HIS   9           2HE      HIS   9   5.296   9.109 -31.430
   65    H    THR  10           H        THR  10   5.468   5.136 -26.024
   66    HA   THR  10           HA       THR  10   5.251   4.009 -28.711
   67    HB   THR  10           HB       THR  10   6.917   2.929 -26.441
   68    HG1  THR  10           1HG      THR  10   7.250   5.281 -27.308
   69   HG21  THR  10          3HG2      THR  10   8.231   1.962 -28.260
   70   HG22  THR  10          1HG2      THR  10   7.161   2.713 -29.443
   71   HG23  THR  10          2HG2      THR  10   6.545   1.459 -28.368
   72    H    ALA  11           H        ALA  11   5.142   2.871 -25.368
   73    HA   ALA  11           HA       ALA  11   3.896   1.312 -24.286
   74    HB1  ALA  11           3HB      ALA  11   1.975   2.555 -25.111
   75    HB2  ALA  11           1HB      ALA  11   1.635   0.827 -25.064
   76    HB3  ALA  11           2HB      ALA  11   1.994   1.612 -26.602
   77    H    SER  12           H        SER  12   3.557   0.514 -27.738
   78    HA   SER  12           HA       SER  12   3.072  -2.155 -27.578
   79    HB2  SER  12           2HB      SER  12   3.187  -0.613 -29.625
   80    HB3  SER  12           1HB      SER  12   4.896  -1.032 -29.694
   81    HG   SER  12           HG       SER  12   2.795  -2.434 -30.574
   82    H    TYR  13           H        TYR  13   6.315  -0.751 -27.945
   83    HA   TYR  13           HA       TYR  13   7.702  -3.138 -28.202
   84    HB2  TYR  13           2HB      TYR  13   8.583  -0.947 -28.840
   85    HB3  TYR  13           1HB      TYR  13   8.690  -0.482 -27.149
   86    HD1  TYR  13           2HD      TYR  13   9.880  -3.168 -29.449
   87    HD2  TYR  13           1HD      TYR  13  10.746  -0.704 -26.093
   88    HE1  TYR  13           2HE      TYR  13  12.164  -4.072 -29.384
   89    HE2  TYR  13           1HE      TYR  13  13.039  -1.593 -26.023
   90    HH   TYR  13           HH       TYR  13  14.299  -3.502 -26.740
   91    H    LEU  14           H        LEU  14   6.643  -1.539 -25.267
   92    HA   LEU  14           HA       LEU  14   8.209  -3.493 -23.708
   93    HB2  LEU  14           2HB      LEU  14   7.292  -0.722 -22.930
   94    HB3  LEU  14           1HB      LEU  14   8.047  -1.857 -21.828
   95    HG   LEU  14           HG       LEU  14   9.332  -0.687 -24.298
   96   HD11  LEU  14          1HD1      LEU  14   9.095   0.949 -22.521
   97   HD12  LEU  14          2HD1      LEU  14  10.782   0.468 -22.700
   98   HD13  LEU  14          3HD1      LEU  14   9.820  -0.174 -21.369
   99   HD21  LEU  14          3HD2      LEU  14  10.429  -2.534 -22.187
  100   HD22  LEU  14          1HD2      LEU  14  11.379  -1.755 -23.450
  101   HD23  LEU  14          2HD2      LEU  14  10.139  -2.932 -23.881
  102    H    ARG  15           H        ARG  15   5.161  -3.002 -24.773
  103    HA   ARG  15           HA       ARG  15   4.002  -4.138 -22.311
  104    HB2  ARG  15           2HB      ARG  15   2.753  -2.174 -24.228
  105    HB3  ARG  15           1HB      ARG  15   1.830  -3.068 -23.030
  106    HG2  ARG  15           2HG      ARG  15   4.082  -1.161 -22.424
  107    HG3  ARG  15           1HG      ARG  15   2.362  -0.802 -22.283
  108    HD2  ARG  15           2HD      ARG  15   3.886  -2.887 -20.728
  109    HD3  ARG  15           1HD      ARG  15   3.280  -1.351 -20.110
  110    HE   ARG  15           HE       ARG  15   1.020  -2.422 -20.923
  111   HH11  ARG  15          1HH1      ARG  15   3.660  -3.931 -19.163
  112   HH12  ARG  15          2HH1      ARG  15   2.627  -5.126 -18.418
  113   HH21  ARG  15          1HH2      ARG  15  -0.314  -3.943 -19.984
  114   HH22  ARG  15          2HH2      ARG  15   0.348  -5.140 -18.899
  115    H    LEU  16           H        LEU  16   3.741  -3.997 -25.845
  116    HA   LEU  16           HA       LEU  16   1.886  -6.233 -25.823
  117    HB2  LEU  16           2HB      LEU  16   3.011  -4.623 -28.117
  118    HB3  LEU  16           1HB      LEU  16   1.829  -5.907 -28.283
  119    HG   LEU  16           HG       LEU  16   1.428  -3.271 -26.866
  120   HD11  LEU  16          1HD1      LEU  16  -0.239  -2.880 -28.612
  121   HD12  LEU  16          2HD1      LEU  16   0.190  -4.415 -29.369
  122   HD13  LEU  16          3HD1      LEU  16   1.371  -3.109 -29.297
  123   HD21  LEU  16          3HD2      LEU  16   0.270  -5.069 -25.691
  124   HD22  LEU  16          1HD2      LEU  16  -0.490  -5.578 -27.197
  125   HD23  LEU  16          2HD2      LEU  16  -0.870  -3.999 -26.506
  126    H    TRP  17           H        TRP  17   5.086  -5.968 -25.514
  127    HA   TRP  17           HA       TRP  17   5.802  -8.234 -27.193
  128    HB2  TRP  17           2HB      TRP  17   7.304  -6.199 -26.826
  129    HB3  TRP  17           1HB      TRP  17   7.558  -6.797 -25.192
  130    HD1  TRP  17           HD       TRP  17   8.067  -8.045 -28.830
  131    HE1  TRP  17           1HE      TRP  17  10.153  -9.558 -28.871
  132    HE3  TRP  17           3HE      TRP  17   9.191  -7.997 -23.839
  133    HZ2  TRP  17           2HZ      TRP  17  12.023 -10.592 -27.014
  134    HZ3  TRP  17           3HZ      TRP  17  11.140  -9.274 -23.053
  135    HH2  TRP  17           HH       TRP  17  12.527 -10.545 -24.607
  136    H    ALA  18           H        ALA  18   4.251  -7.837 -24.371
  137    HA   ALA  18           HA       ALA  18   5.554  -9.963 -22.877
  138    HB1  ALA  18           3HB      ALA  18   3.890  -9.486 -21.150
  139    HB2  ALA  18           1HB      ALA  18   3.088  -8.352 -22.234
  140    HB3  ALA  18           2HB      ALA  18   4.724  -8.019 -21.666
  141    H    LEU  19           H        LEU  19   4.784 -11.985 -22.620
  142    HA   LEU  19           HA       LEU  19   3.675 -13.910 -23.089
  143    HB2  LEU  19           2HB      LEU  19   1.364 -12.064 -23.696
  144    HB3  LEU  19           1HB      LEU  19   1.244 -13.810 -23.612
  145    HG   LEU  19           HG       LEU  19   1.979 -11.987 -21.318
  146   HD11  LEU  19          1HD1      LEU  19  -0.218 -12.597 -20.430
  147   HD12  LEU  19          2HD1      LEU  19  -0.560 -13.509 -21.899
  148   HD13  LEU  19          3HD1      LEU  19  -0.352 -11.759 -21.976
  149   HD21  LEU  19          3HD2      LEU  19   1.518 -14.971 -21.392
  150   HD22  LEU  19          1HD2      LEU  19   1.776 -14.007 -19.936
  151   HD23  LEU  19          2HD2      LEU  19   3.064 -14.165 -21.129
  152    H    SER  20           H        SER  20   4.978 -12.129 -25.195
  153    HA   SER  20           HA       SER  20   3.655 -12.895 -27.638
  154    HB2  SER  20           2HB      SER  20   4.807 -10.712 -27.390
  155    HB3  SER  20           1HB      SER  20   6.341 -11.561 -27.230
  156    HG   SER  20           HG       SER  20   4.622 -11.435 -29.489
  157    H    LEU  21           H        LEU  21   4.433 -14.350 -29.169
  158    HA   LEU  21           HA       LEU  21   5.801 -16.621 -28.112
  159    HB2  LEU  21           2HB      LEU  21   4.926 -15.963 -30.929
  160    HB3  LEU  21           1HB      LEU  21   5.648 -17.488 -30.464
  161    HG   LEU  21           HG       LEU  21   3.347 -17.910 -30.564
  162   HD11  LEU  21          1HD1      LEU  21   4.366 -18.836 -28.565
  163   HD12  LEU  21          2HD1      LEU  21   2.686 -18.390 -28.267
  164   HD13  LEU  21          3HD1      LEU  21   3.990 -17.361 -27.673
  165   HD21  LEU  21          3HD2      LEU  21   2.912 -15.381 -28.986
  166   HD22  LEU  21          1HD2      LEU  21   1.653 -16.537 -29.424
  167   HD23  LEU  21          2HD2      LEU  21   2.513 -15.652 -30.683
  168    H    ALA  22           H        ALA  22   7.923 -17.148 -28.236
  169    HA   ALA  22           HA       ALA  22   9.682 -15.106 -29.371
  170    HB1  ALA  22           3HB      ALA  22  11.437 -16.127 -27.988
  171    HB2  ALA  22           1HB      ALA  22  10.291 -17.360 -27.459
  172    HB3  ALA  22           2HB      ALA  22  10.034 -15.672 -27.019
  173    H    HIS  23           H        HIS  23   8.983 -18.557 -29.497
  174    HA   HIS  23           HA       HIS  23  10.080 -18.690 -32.148
  175    HB2  HIS  23           2HB      HIS  23  11.746 -20.400 -31.724
  176    HB3  HIS  23           1HB      HIS  23  12.127 -18.962 -30.792
  177    HD1  HIS  23           1HD      HIS  23  11.885 -22.548 -30.464
  178    HD2  HIS  23           2HD      HIS  23  11.205 -19.289 -27.957
  179    HE1  HIS  23           1HE      HIS  23  11.901 -23.466 -28.125
  180    HE2  HIS  23           2HE      HIS  23  11.728 -21.450 -26.628
  181    H    ALA  24           H        ALA  24   8.786 -19.951 -33.285
  182    HA   ALA  24           HA       ALA  24   7.085 -21.912 -32.037
  183    HB1  ALA  24           3HB      ALA  24   6.364 -20.688 -34.039
  184    HB2  ALA  24           1HB      ALA  24   6.359 -22.428 -34.313
  185    HB3  ALA  24           2HB      ALA  24   7.667 -21.437 -34.963
  186    H    GLN  25           H        GLN  25  10.049 -21.885 -33.910
  187    HA   GLN  25           HA       GLN  25  10.522 -24.684 -33.159
  188    HB2  GLN  25           2HB      GLN  25  10.308 -24.404 -35.579
  189    HB3  GLN  25           1HB      GLN  25  11.513 -23.124 -35.548
  190    HG2  GLN  25           2HG      GLN  25  12.561 -25.094 -36.371
  191    HG3  GLN  25           1HG      GLN  25  13.159 -24.820 -34.736
  192   HE21  GLN  25          1HE2      GLN  25  11.126 -26.804 -36.743
  193   HE22  GLN  25          2HE2      GLN  25  11.012 -28.145 -35.643
  Start of MODEL    9
    1    H1   GLU   1           1HT      GLU   1  14.816   1.173 -20.674
    2    H2   GLU   1           2HT      GLU   1  15.629   2.662 -20.741
    3    H3   GLU   1           3HT      GLU   1  16.511   1.212 -20.707
    4    HA   GLU   1           HA       GLU   1  15.588   0.585 -22.846
    5    HB2  GLU   1           2HB      GLU   1  14.350   2.178 -24.154
    6    HB3  GLU   1           1HB      GLU   1  13.507   1.823 -22.656
    7    HG2  GLU   1           2HG      GLU   1  14.163   3.927 -21.726
    8    HG3  GLU   1           1HG      GLU   1  15.179   4.276 -23.131
    9    H    PHE   2           H        PHE   2  17.069   0.661 -24.343
   10    HA   PHE   2           HA       PHE   2  19.358   2.336 -23.928
   11    HB2  PHE   2           2HB      PHE   2  19.485  -0.064 -24.570
   12    HB3  PHE   2           1HB      PHE   2  18.779   0.344 -26.127
   13    HD1  PHE   2           2HD      PHE   2  21.724   0.959 -23.968
   14    HD2  PHE   2           1HD      PHE   2  20.110   1.029 -27.902
   15    HE1  PHE   2           2HE      PHE   2  23.978   1.373 -24.886
   16    HE2  PHE   2           1HE      PHE   2  22.351   1.432 -28.825
   17    HZ   PHE   2           HZ       PHE   2  24.284   1.606 -27.321
   18    H    CYS   3           H        CYS   3  16.632   2.278 -26.151
   19    HA   CYS   3           HA       CYS   3  17.899   4.134 -27.924
   20    HB2  CYS   3           2HB      CYS   3  16.468   2.520 -28.927
   21    HB3  CYS   3           1HB      CYS   3  15.128   2.992 -27.891
   22    H    LEU   4           H        LEU   4  16.219   4.435 -25.042
   23    HA   LEU   4           HA       LEU   4  15.118   6.101 -23.954
   24    HB2  LEU   4           2HB      LEU   4  16.666   7.868 -25.862
   25    HB3  LEU   4           1HB      LEU   4  15.852   8.409 -24.405
   26    HG   LEU   4           HG       LEU   4  18.183   6.496 -24.496
   27   HD11  LEU   4          1HD1      LEU   4  19.432   8.322 -23.448
   28   HD12  LEU   4          2HD1      LEU   4  18.031   9.377 -23.623
   29   HD13  LEU   4          3HD1      LEU   4  18.855   8.764 -25.056
   30   HD21  LEU   4          3HD2      LEU   4  16.751   7.737 -22.161
   31   HD22  LEU   4          1HD2      LEU   4  18.193   6.726 -22.078
   32   HD23  LEU   4          2HD2      LEU   4  16.668   6.043 -22.642
   33    H    ASN   5           H        ASN   5  13.645   4.849 -25.847
   34    HA   ASN   5           HA       ASN   5  11.434   6.313 -26.336
   35    HB2  ASN   5           2HB      ASN   5  12.881   7.754 -27.815
   36    HB3  ASN   5           1HB      ASN   5  13.105   6.349 -28.858
   37   HD21  ASN   5          1HD2      ASN   5  11.135   5.365 -29.756
   38   HD22  ASN   5          2HD2      ASN   5   9.803   6.398 -30.131
   39    H    CYS   6           H        CYS   6  13.648   3.920 -27.756
   40    HA   CYS   6           HA       CYS   6  11.558   2.909 -29.473
   41    HB2  CYS   6           2HB      CYS   6  14.369   1.897 -29.016
   42    HB3  CYS   6           1HB      CYS   6  13.265   1.288 -30.243
   43    H    VAL   7           H        VAL   7  12.274   2.525 -26.324
   44    HA   VAL   7           HA       VAL   7  11.294  -0.222 -26.337
   45    HB   VAL   7           HB       VAL   7  13.472   1.037 -24.684
   46   HG11  VAL   7          1HG1      VAL   7  11.995  -1.536 -24.062
   47   HG12  VAL   7          2HG1      VAL   7  11.952  -0.056 -23.103
   48   HG13  VAL   7          3HG1      VAL   7  13.454  -0.970 -23.248
   49   HG21  VAL   7          3HG2      VAL   7  14.667  -1.040 -25.333
   50   HG22  VAL   7          1HG2      VAL   7  14.187  -0.045 -26.709
   51   HG23  VAL   7          2HG2      VAL   7  13.272  -1.501 -26.309
   52    H    SER   8           H        SER   8  11.519   2.738 -24.338
   53    HA   SER   8           HA       SER   8   9.129   1.842 -22.951
   54    HB2  SER   8           2HB      SER   8  10.935   4.162 -22.296
   55    HB3  SER   8           1HB      SER   8   9.583   3.600 -21.310
   56    HG   SER   8           HG       SER   8  11.355   1.622 -21.984
   57    H    HIS   9           H        HIS   9  10.237   4.561 -24.928
   58    HA   HIS   9           HA       HIS   9   7.697   5.935 -24.645
   59    HB2  HIS   9           2HB      HIS   9  10.152   6.557 -26.298
   60    HB3  HIS   9           1HB      HIS   9   8.690   7.542 -26.333
   61    HD1  HIS   9           1HD      HIS   9  10.259   9.499 -25.401
   62    HD2  HIS   9           2HD      HIS   9   9.590   6.314 -22.806
   63    HE1  HIS   9           1HE      HIS   9  10.943  10.317 -23.125
   64    HE2  HIS   9           2HE      HIS   9  10.462   8.403 -21.559
   65    H    THR  10           H        THR  10   6.818   3.747 -25.454
   66    HA   THR  10           HA       THR  10   6.018   4.143 -28.231
   67    HB   THR  10           HB       THR  10   7.709   2.595 -28.673
   68    HG1  THR  10           1HG      THR  10   6.472   1.159 -29.619
   69   HG21  THR  10          3HG2      THR  10   8.338   2.064 -26.391
   70   HG22  THR  10          1HG2      THR  10   8.149   0.586 -27.329
   71   HG23  THR  10          2HG2      THR  10   6.887   1.081 -26.199
   72    H    ALA  11           H        ALA  11   5.652   2.331 -25.233
   73    HA   ALA  11           HA       ALA  11   3.879   1.532 -24.099
   74    HB1  ALA  11           3HB      ALA  11   1.660   2.412 -24.450
   75    HB2  ALA  11           1HB      ALA  11   2.132   3.080 -26.015
   76    HB3  ALA  11           2HB      ALA  11   2.830   3.727 -24.530
   77    H    SER  12           H        SER  12   4.363   0.905 -27.367
   78    HA   SER  12           HA       SER  12   2.473  -1.333 -27.365
   79    HB2  SER  12           2HB      SER  12   2.546   0.168 -29.349
   80    HB3  SER  12           1HB      SER  12   4.228  -0.286 -29.605
   81    HG   SER  12           HG       SER  12   1.948  -1.617 -30.285
   82    H    TYR  13           H        TYR  13   5.866  -0.679 -28.190
   83    HA   TYR  13           HA       TYR  13   6.690  -3.323 -28.493
   84    HB2  TYR  13           2HB      TYR  13   7.940  -1.398 -29.323
   85    HB3  TYR  13           1HB      TYR  13   8.292  -0.890 -27.681
   86    HD1  TYR  13           2HD      TYR  13   9.024  -3.443 -30.269
   87    HD2  TYR  13           1HD      TYR  13  10.075  -1.872 -26.454
   88    HE1  TYR  13           2HE      TYR  13  11.079  -4.791 -30.284
   89    HE2  TYR  13           1HE      TYR  13  12.130  -3.218 -26.459
   90    HH   TYR  13           HH       TYR  13  13.274  -4.838 -29.259
   91    H    LEU  14           H        LEU  14   6.787  -1.246 -25.631
   92    HA   LEU  14           HA       LEU  14   8.086  -3.233 -24.025
   93    HB2  LEU  14           2HB      LEU  14   8.365  -0.820 -23.645
   94    HB3  LEU  14           1HB      LEU  14   6.670  -0.695 -23.211
   95    HG   LEU  14           HG       LEU  14   7.089  -2.180 -21.272
   96   HD11  LEU  14          1HD1      LEU  14   9.966  -1.952 -22.142
   97   HD12  LEU  14          2HD1      LEU  14   8.989  -3.419 -22.122
   98   HD13  LEU  14          3HD1      LEU  14   9.416  -2.624 -20.606
   99   HD21  LEU  14          3HD2      LEU  14   8.856   0.255 -21.426
  100   HD22  LEU  14          1HD2      LEU  14   8.289  -0.519 -19.945
  101   HD23  LEU  14          2HD2      LEU  14   7.136   0.249 -21.035
  102    H    ARG  15           H        ARG  15   4.794  -2.493 -24.808
  103    HA   ARG  15           HA       ARG  15   3.751  -3.810 -22.450
  104    HB2  ARG  15           2HB      ARG  15   2.559  -1.869 -23.274
  105    HB3  ARG  15           1HB      ARG  15   2.374  -2.610 -24.859
  106    HG2  ARG  15           2HG      ARG  15   0.736  -4.052 -24.139
  107    HG3  ARG  15           1HG      ARG  15   1.253  -3.969 -22.451
  108    HD2  ARG  15           2HD      ARG  15  -0.870  -2.791 -22.840
  109    HD3  ARG  15           1HD      ARG  15   0.402  -1.716 -22.265
  110    HE   ARG  15           HE       ARG  15   0.615  -1.325 -24.873
  111   HH11  ARG  15          1HH1      ARG  15  -2.264  -1.605 -22.906
  112   HH12  ARG  15          2HH1      ARG  15  -3.200  -0.505 -23.889
  113   HH21  ARG  15          1HH2      ARG  15  -0.581   0.154 -26.151
  114   HH22  ARG  15          2HH2      ARG  15  -2.233   0.520 -25.711
  115    H    LEU  16           H        LEU  16   4.102  -4.465 -25.907
  116    HA   LEU  16           HA       LEU  16   2.891  -7.081 -25.636
  117    HB2  LEU  16           2HB      LEU  16   4.428  -5.859 -27.939
  118    HB3  LEU  16           1HB      LEU  16   3.598  -7.401 -27.992
  119    HG   LEU  16           HG       LEU  16   2.278  -4.716 -27.602
  120   HD11  LEU  16          1HD1      LEU  16   3.155  -4.984 -29.846
  121   HD12  LEU  16          2HD1      LEU  16   1.395  -5.073 -29.848
  122   HD13  LEU  16          3HD1      LEU  16   2.351  -6.548 -29.994
  123   HD21  LEU  16          3HD2      LEU  16   1.053  -6.472 -26.470
  124   HD22  LEU  16          1HD2      LEU  16   1.103  -7.473 -27.921
  125   HD23  LEU  16          2HD2      LEU  16   0.185  -5.969 -27.921
  126    H    TRP  17           H        TRP  17   6.081  -6.002 -26.759
  127    HA   TRP  17           HA       TRP  17   8.193  -6.649 -26.320
  128    HB2  TRP  17           2HB      TRP  17   7.304  -6.738 -23.920
  129    HB3  TRP  17           1HB      TRP  17   7.200  -8.479 -24.146
  130    HD1  TRP  17           HD       TRP  17   9.389  -9.845 -23.807
  131    HE1  TRP  17           1HE      TRP  17  11.836  -9.229 -23.273
  132    HE3  TRP  17           3HE      TRP  17   9.095  -4.781 -24.435
  133    HZ2  TRP  17           2HZ      TRP  17  13.420  -6.892 -23.138
  134    HZ3  TRP  17           3HZ      TRP  17  11.115  -3.427 -24.085
  135    HH2  TRP  17           HH       TRP  17  13.234  -4.458 -23.449
  136    H    ALA  18           H        ALA  18   5.887  -9.333 -26.190
  137    HA   ALA  18           HA       ALA  18   7.767 -11.047 -27.608
  138    HB1  ALA  18           3HB      ALA  18   6.013 -12.764 -27.414
  139    HB2  ALA  18           1HB      ALA  18   4.949 -11.574 -26.663
  140    HB3  ALA  18           2HB      ALA  18   6.430 -12.073 -25.846
  141    H    LEU  19           H        LEU  19   7.458 -11.764 -29.705
  142    HA   LEU  19           HA       LEU  19   6.926 -11.544 -31.908
  143    HB2  LEU  19           2HB      LEU  19   4.214 -10.822 -30.787
  144    HB3  LEU  19           1HB      LEU  19   4.539 -11.191 -32.470
  145    HG   LEU  19           HG       LEU  19   4.889 -13.115 -30.166
  146   HD11  LEU  19          1HD1      LEU  19   2.550 -12.639 -30.611
  147   HD12  LEU  19          2HD1      LEU  19   2.961 -14.265 -31.153
  148   HD13  LEU  19          3HD1      LEU  19   2.793 -12.964 -32.328
  149   HD21  LEU  19          3HD2      LEU  19   6.479 -13.500 -31.999
  150   HD22  LEU  19          1HD2      LEU  19   5.141 -13.546 -33.146
  151   HD23  LEU  19          2HD2      LEU  19   5.278 -14.786 -31.900
  152    H    SER  20           H        SER  20   7.800  -9.177 -30.280
  153    HA   SER  20           HA       SER  20   6.611  -6.920 -31.646
  154    HB2  SER  20           2HB      SER  20   8.893  -7.074 -29.658
  155    HB3  SER  20           1HB      SER  20   8.189  -5.578 -30.265
  156    HG   SER  20           HG       SER  20   6.411  -7.428 -29.209
  157    H    LEU  21           H        LEU  21   9.029  -9.163 -32.201
  158    HA   LEU  21           HA       LEU  21  10.379  -9.507 -33.990
  159    HB2  LEU  21           2HB      LEU  21   9.385  -6.823 -34.947
  160    HB3  LEU  21           1HB      LEU  21  10.359  -7.932 -35.894
  161    HG   LEU  21           HG       LEU  21   7.566  -8.488 -34.882
  162   HD11  LEU  21          1HD1      LEU  21   6.925  -8.295 -37.234
  163   HD12  LEU  21          2HD1      LEU  21   8.575  -7.820 -37.641
  164   HD13  LEU  21          3HD1      LEU  21   7.588  -6.786 -36.609
  165   HD21  LEU  21          3HD2      LEU  21   8.899 -10.524 -35.074
  166   HD22  LEU  21          1HD2      LEU  21   9.354 -10.077 -36.721
  167   HD23  LEU  21          2HD2      LEU  21   7.676 -10.453 -36.341
  168    H    ALA  22           H        ALA  22  12.476  -8.919 -34.801
  169    HA   ALA  22           HA       ALA  22  13.888  -7.068 -33.017
  170    HB1  ALA  22           3HB      ALA  22  15.014  -9.078 -34.974
  171    HB2  ALA  22           1HB      ALA  22  14.787  -9.352 -33.246
  172    HB3  ALA  22           2HB      ALA  22  15.931  -8.132 -33.802
  173    H    HIS  23           H        HIS  23  12.318  -6.915 -35.833
  174    HA   HIS  23           HA       HIS  23  13.775  -4.563 -36.663
  175    HB2  HIS  23           2HB      HIS  23  13.899  -5.224 -39.021
  176    HB3  HIS  23           1HB      HIS  23  14.823  -6.333 -38.017
  177    HD1  HIS  23           1HD      HIS  23  12.375  -6.303 -40.674
  178    HD2  HIS  23           2HD      HIS  23  13.249  -8.798 -37.446
  179    HE1  HIS  23           1HE      HIS  23  11.220  -8.487 -41.156
  180    HE2  HIS  23           2HE      HIS  23  11.946 -10.044 -39.305
  181    H    ALA  24           H        ALA  24  12.438  -3.000 -37.318
  182    HA   ALA  24           HA       ALA  24   9.616  -3.384 -37.177
  183    HB1  ALA  24           3HB      ALA  24  10.735  -1.277 -36.551
  184    HB2  ALA  24           1HB      ALA  24   9.461  -1.041 -37.751
  185    HB3  ALA  24           2HB      ALA  24  11.153  -1.025 -38.245
  186    H    GLN  25           H        GLN  25  11.835  -2.565 -39.833
  187    HA   GLN  25           HA       GLN  25  10.012  -3.962 -41.664
  188    HB2  GLN  25           2HB      GLN  25   9.781  -1.547 -41.952
  189    HB3  GLN  25           1HB      GLN  25  11.523  -1.394 -42.139
  190    HG2  GLN  25           2HG      GLN  25  11.407  -2.713 -44.198
  191    HG3  GLN  25           1HG      GLN  25   9.663  -2.864 -44.001
  192   HE21  GLN  25          1HE2      GLN  25  12.288  -0.718 -44.773
  193   HE22  GLN  25          2HE2      GLN  25  11.317   0.538 -45.460
  Start of MODEL   10
    1    H1   GLU   1           1HT      GLU   1  13.637   2.709 -19.047
    2    H2   GLU   1           2HT      GLU   1  12.057   3.317 -19.034
    3    H3   GLU   1           3HT      GLU   1  13.364   4.372 -18.842
    4    HA   GLU   1           HA       GLU   1  12.720   2.816 -21.276
    5    HB2  GLU   1           2HB      GLU   1  12.418   5.126 -22.264
    6    HB3  GLU   1           1HB      GLU   1  11.166   4.589 -21.158
    7    HG2  GLU   1           2HG      GLU   1  13.429   6.406 -20.366
    8    HG3  GLU   1           1HG      GLU   1  11.856   6.974 -20.922
    9    H    PHE   2           H        PHE   2  14.393   2.320 -22.425
   10    HA   PHE   2           HA       PHE   2  17.018   3.184 -21.939
   11    HB2  PHE   2           2HB      PHE   2  16.480   1.046 -23.031
   12    HB3  PHE   2           1HB      PHE   2  15.845   1.910 -24.425
   13    HD1  PHE   2           1HD      PHE   2  18.918   1.134 -22.530
   14    HD2  PHE   2           2HD      PHE   2  17.274   2.731 -26.122
   15    HE1  PHE   2           1HE      PHE   2  21.149   1.111 -23.555
   16    HE2  PHE   2           2HE      PHE   2  19.510   2.713 -27.152
   17    HZ   PHE   2           HZ       PHE   2  21.453   1.933 -25.859
   18    H    CYS   3           H        CYS   3  14.875   3.964 -24.707
   19    HA   CYS   3           HA       CYS   3  16.677   6.061 -25.522
   20    HB2  CYS   3           2HB      CYS   3  13.953   5.633 -26.698
   21    HB3  CYS   3           1HB      CYS   3  15.401   6.260 -27.479
   22    H    LEU   4           H        LEU   4  14.911   6.124 -22.984
   23    HA   LEU   4           HA       LEU   4  13.499   7.501 -21.843
   24    HB2  LEU   4           2HB      LEU   4  14.742   9.552 -23.678
   25    HB3  LEU   4           1HB      LEU   4  13.834   9.921 -22.225
   26    HG   LEU   4           HG       LEU   4  16.456   8.438 -22.342
   27   HD11  LEU   4          1HD1      LEU   4  17.351  10.416 -21.224
   28   HD12  LEU   4          2HD1      LEU   4  15.776  11.199 -21.351
   29   HD13  LEU   4          3HD1      LEU   4  16.686  10.812 -22.812
   30   HD21  LEU   4          3HD2      LEU   4  15.071   7.618 -20.531
   31   HD22  LEU   4          1HD2      LEU   4  14.778   9.266 -19.980
   32   HD23  LEU   4          2HD2      LEU   4  16.402   8.583 -19.898
   33    H    ASN   5           H        ASN   5  12.314   6.153 -24.017
   34    HA   ASN   5           HA       ASN   5   9.925   7.457 -24.521
   35    HB2  ASN   5           2HB      ASN   5  11.231   9.060 -25.856
   36    HB3  ASN   5           1HB      ASN   5  11.885   7.734 -26.814
   37   HD21  ASN   5          1HD2      ASN   5  10.451   6.549 -28.174
   38   HD22  ASN   5          2HD2      ASN   5   9.009   7.297 -28.780
   39    H    CYS   6           H        CYS   6  12.202   5.686 -26.625
   40    HA   CYS   6           HA       CYS   6  10.334   4.163 -27.985
   41    HB2  CYS   6           2HB      CYS   6  12.140   2.854 -28.786
   42    HB3  CYS   6           1HB      CYS   6  12.806   4.459 -28.508
   43    H    VAL   7           H        VAL   7  11.347   3.786 -24.776
   44    HA   VAL   7           HA       VAL   7  10.598   0.976 -24.729
   45    HB   VAL   7           HB       VAL   7  12.218   2.683 -22.855
   46   HG11  VAL   7          1HG1      VAL   7  11.263  -0.149 -22.383
   47   HG12  VAL   7          2HG1      VAL   7  10.800   1.273 -21.451
   48   HG13  VAL   7          3HG1      VAL   7  12.466   0.700 -21.411
   49   HG21  VAL   7          3HG2      VAL   7  13.399   1.782 -24.764
   50   HG22  VAL   7          1HG2      VAL   7  12.817   0.159 -24.396
   51   HG23  VAL   7          2HG2      VAL   7  13.929   0.968 -23.293
   52    H    SER   8           H        SER   8   9.945   4.044 -23.088
   53    HA   SER   8           HA       SER   8   7.721   2.854 -21.679
   54    HB2  SER   8           2HB      SER   8   8.837   5.656 -21.537
   55    HB3  SER   8           1HB      SER   8   7.554   5.018 -20.505
   56    HG   SER   8           HG       SER   8   9.718   4.964 -19.585
   57    H    HIS   9           H        HIS   9   8.139   5.872 -23.522
   58    HA   HIS   9           HA       HIS   9   5.377   5.999 -24.267
   59    HB2  HIS   9           2HB      HIS   9   6.787   8.019 -23.994
   60    HB3  HIS   9           1HB      HIS   9   7.760   7.512 -25.372
   61    HD1  HIS   9           1HD      HIS   9   7.235   9.021 -27.228
   62    HD2  HIS   9           2HD      HIS   9   3.816   7.934 -25.130
   63    HE1  HIS   9           1HE      HIS   9   5.321  10.114 -28.436
   64    HE2  HIS   9           2HE      HIS   9   3.283   9.582 -27.052
   65    H    THR  10           H        THR  10   4.915   4.100 -25.301
   66    HA   THR  10           HA       THR  10   5.483   3.920 -28.086
   67    HB   THR  10           HB       THR  10   7.588   2.973 -27.492
   68    HG1  THR  10           1HG      THR  10   7.022   1.615 -29.028
   69   HG21  THR  10          3HG2      THR  10   6.139   1.154 -25.558
   70   HG22  THR  10          1HG2      THR  10   7.194   2.505 -25.132
   71   HG23  THR  10          2HG2      THR  10   7.860   1.086 -25.937
   72    H    ALA  11           H        ALA  11   4.515   2.120 -25.187
   73    HA   ALA  11           HA       ALA  11   2.782   0.722 -24.727
   74    HB1  ALA  11           3HB      ALA  11   0.623   1.209 -25.750
   75    HB2  ALA  11           1HB      ALA  11   1.419   2.222 -26.956
   76    HB3  ALA  11           2HB      ALA  11   1.448   2.689 -25.254
   77    H    SER  12           H        SER  12   4.760   0.048 -26.894
   78    HA   SER  12           HA       SER  12   3.283  -2.281 -27.861
   79    HB2  SER  12           2HB      SER  12   3.464  -0.413 -29.616
   80    HB3  SER  12           1HB      SER  12   5.189  -0.772 -29.646
   81    HG   SER  12           HG       SER  12   4.468  -2.113 -31.151
   82    H    TYR  13           H        TYR  13   6.464  -0.716 -27.770
   83    HA   TYR  13           HA       TYR  13   8.001  -2.979 -28.267
   84    HB2  TYR  13           2HB      TYR  13   8.830  -0.689 -28.476
   85    HB3  TYR  13           1HB      TYR  13   8.743  -0.488 -26.729
   86    HD1  TYR  13           2HD      TYR  13  10.479  -2.321 -29.440
   87    HD2  TYR  13           1HD      TYR  13  10.501  -1.234 -25.331
   88    HE1  TYR  13           2HE      TYR  13  12.770  -3.173 -29.239
   89    HE2  TYR  13           1HE      TYR  13  12.803  -2.082 -25.119
   90    HH   TYR  13           HH       TYR  13  14.267  -3.789 -26.322
   91    H    LEU  14           H        LEU  14   7.731  -1.388 -25.062
   92    HA   LEU  14           HA       LEU  14   8.726  -3.795 -23.800
   93    HB2  LEU  14           2HB      LEU  14   9.453  -1.558 -23.057
   94    HB3  LEU  14           1HB      LEU  14   7.809  -1.192 -22.568
   95    HG   LEU  14           HG       LEU  14   7.956  -3.088 -20.927
   96   HD11  LEU  14          1HD1      LEU  14  10.208  -3.904 -20.356
   97   HD12  LEU  14          2HD1      LEU  14  10.853  -3.049 -21.760
   98   HD13  LEU  14          3HD1      LEU  14   9.707  -4.372 -21.980
   99   HD21  LEU  14          3HD2      LEU  14   9.958  -0.848 -20.671
  100   HD22  LEU  14          1HD2      LEU  14   9.379  -1.850 -19.340
  101   HD23  LEU  14          2HD2      LEU  14   8.257  -0.799 -20.204
  102    H    ARG  15           H        ARG  15   5.685  -2.474 -24.561
  103    HA   ARG  15           HA       ARG  15   4.338  -4.510 -22.976
  104    HB2  ARG  15           2HB      ARG  15   4.294  -2.664 -21.450
  105    HB3  ARG  15           1HB      ARG  15   3.827  -1.543 -22.717
  106    HG2  ARG  15           2HG      ARG  15   1.960  -2.031 -21.253
  107    HG3  ARG  15           1HG      ARG  15   1.643  -2.626 -22.881
  108    HD2  ARG  15           2HD      ARG  15   2.229  -4.886 -22.181
  109    HD3  ARG  15           1HD      ARG  15   2.608  -4.296 -20.564
  110    HE   ARG  15           HE       ARG  15  -0.009  -3.530 -21.098
  111   HH11  ARG  15          1HH1      ARG  15   1.789  -6.526 -20.793
  112   HH12  ARG  15          2HH1      ARG  15   0.439  -7.410 -20.147
  113   HH21  ARG  15          1HH2      ARG  15  -1.770  -4.682 -20.218
  114   HH22  ARG  15          2HH2      ARG  15  -1.605  -6.381 -19.866
  115    H    LEU  16           H        LEU  16   3.498  -5.578 -24.680
  116    HA   LEU  16           HA       LEU  16   2.502  -4.332 -27.017
  117    HB2  LEU  16           2HB      LEU  16   2.057  -7.098 -25.880
  118    HB3  LEU  16           1HB      LEU  16   1.478  -6.595 -27.454
  119    HG   LEU  16           HG       LEU  16   4.399  -6.653 -26.663
  120   HD11  LEU  16          1HD1      LEU  16   2.815  -8.632 -28.302
  121   HD12  LEU  16          2HD1      LEU  16   3.453  -8.908 -26.681
  122   HD13  LEU  16          3HD1      LEU  16   4.558  -8.661 -28.034
  123   HD21  LEU  16          3HD2      LEU  16   4.795  -6.433 -29.061
  124   HD22  LEU  16          1HD2      LEU  16   3.863  -5.066 -28.450
  125   HD23  LEU  16          2HD2      LEU  16   3.059  -6.351 -29.348
  126    H    TRP  17           H        TRP  17   0.894  -2.884 -26.783
  127    HA   TRP  17           HA       TRP  17  -1.665  -3.841 -25.749
  128    HB2  TRP  17           2HB      TRP  17  -0.566  -2.701 -23.849
  129    HB3  TRP  17           1HB      TRP  17  -0.378  -1.259 -24.837
  130    HD1  TRP  17           HD       TRP  17  -3.318  -3.462 -23.547
  131    HE1  TRP  17           1HE      TRP  17  -5.307  -1.901 -23.034
  132    HE3  TRP  17           3HE      TRP  17  -1.232   0.988 -24.981
  133    HZ2  TRP  17           2HZ      TRP  17  -5.894   0.864 -23.218
  134    HZ3  TRP  17           3HZ      TRP  17  -2.574   3.045 -24.774
  135    HH2  TRP  17           HH       TRP  17  -4.854   2.977 -23.910
  136    H    ALA  18           H        ALA  18   0.185  -1.661 -27.717
  137    HA   ALA  18           HA       ALA  18  -1.956   0.018 -28.555
  138    HB1  ALA  18           3HB      ALA  18   0.400   0.730 -28.615
  139    HB2  ALA  18           1HB      ALA  18  -0.389   0.904 -30.183
  140    HB3  ALA  18           2HB      ALA  18   0.709  -0.444 -29.891
  141    H    LEU  19           H        LEU  19  -0.138  -2.516 -30.252
  142    HA   LEU  19           HA       LEU  19  -2.298  -2.727 -32.212
  143    HB2  LEU  19           2HB      LEU  19   0.492  -3.873 -32.145
  144    HB3  LEU  19           1HB      LEU  19  -0.677  -4.223 -33.405
  145    HG   LEU  19           HG       LEU  19   0.448  -1.494 -32.770
  146   HD11  LEU  19          1HD1      LEU  19   2.115  -2.942 -33.782
  147   HD12  LEU  19          2HD1      LEU  19   1.577  -1.722 -34.937
  148   HD13  LEU  19          3HD1      LEU  19   0.981  -3.376 -35.064
  149   HD21  LEU  19          3HD2      LEU  19  -1.409  -2.402 -34.970
  150   HD22  LEU  19          1HD2      LEU  19  -0.679  -0.799 -34.842
  151   HD23  LEU  19          2HD2      LEU  19  -1.826  -1.349 -33.619
  152    H    SER  20           H        SER  20  -2.441  -3.695 -29.418
  153    HA   SER  20           HA       SER  20  -2.683  -6.578 -29.886
  154    HB2  SER  20           2HB      SER  20  -2.455  -5.046 -27.293
  155    HB3  SER  20           1HB      SER  20  -2.604  -6.801 -27.427
  156    HG   SER  20           HG       SER  20  -0.647  -5.911 -29.035
  157    H    LEU  21           H        LEU  21  -4.591  -7.663 -29.100
  158    HA   LEU  21           HA       LEU  21  -6.923  -5.931 -29.376
  159    HB2  LEU  21           2HB      LEU  21  -6.693  -8.938 -29.466
  160    HB3  LEU  21           1HB      LEU  21  -8.177  -8.036 -29.703
  161    HG   LEU  21           HG       LEU  21  -5.745  -7.865 -31.486
  162   HD11  LEU  21          1HD1      LEU  21  -7.131  -9.055 -33.128
  163   HD12  LEU  21          2HD1      LEU  21  -8.391  -9.254 -31.908
  164   HD13  LEU  21          3HD1      LEU  21  -6.822 -10.030 -31.695
  165   HD21  LEU  21          3HD2      LEU  21  -7.190  -6.587 -32.973
  166   HD22  LEU  21          1HD2      LEU  21  -7.032  -5.794 -31.406
  167   HD23  LEU  21          2HD2      LEU  21  -8.501  -6.683 -31.799
  168    H    ALA  22           H        ALA  22  -6.738  -8.979 -27.574
  169    HA   ALA  22           HA       ALA  22  -7.527  -7.478 -25.167
  170    HB1  ALA  22           3HB      ALA  22  -8.676 -10.120 -26.067
  171    HB2  ALA  22           1HB      ALA  22  -9.500  -8.562 -26.117
  172    HB3  ALA  22           2HB      ALA  22  -9.068  -9.282 -24.566
  173    H    HIS  23           H        HIS  23  -6.107 -10.435 -26.466
  174    HA   HIS  23           HA       HIS  23  -4.264 -10.472 -24.240
  175    HB2  HIS  23           2HB      HIS  23  -4.656 -12.792 -23.640
  176    HB3  HIS  23           1HB      HIS  23  -6.146 -11.880 -23.466
  177    HD1  HIS  23           1HD      HIS  23  -5.031 -15.022 -24.622
  178    HD2  HIS  23           2HD      HIS  23  -7.755 -12.213 -26.051
  179    HE1  HIS  23           1HE      HIS  23  -6.569 -16.287 -26.162
  180    HE2  HIS  23           2HE      HIS  23  -8.308 -14.605 -26.886
  181    H    ALA  24           H        ALA  24  -2.400 -11.697 -24.620
  182    HA   ALA  24           HA       ALA  24  -1.845 -12.013 -27.478
  183    HB1  ALA  24           3HB      ALA  24   0.047 -11.807 -25.133
  184    HB2  ALA  24           1HB      ALA  24  -0.362 -10.512 -26.255
  185    HB3  ALA  24           2HB      ALA  24   0.520 -11.925 -26.826
  186    H    GLN  25           H        GLN  25  -1.858 -13.687 -24.420
  187    HA   GLN  25           HA       GLN  25  -1.131 -16.201 -25.744
  188    HB2  GLN  25           2HB      GLN  25   0.048 -15.676 -23.656
  189    HB3  GLN  25           1HB      GLN  25  -1.489 -15.520 -22.819
  190    HG2  GLN  25           2HG      GLN  25  -1.938 -17.912 -23.336
  191    HG3  GLN  25           1HG      GLN  25  -0.314 -18.021 -24.006
  192   HE21  GLN  25          1HE2      GLN  25  -0.996 -16.031 -21.255
  193   HE22  GLN  25          2HE2      GLN  25  -0.178 -17.011 -20.081
  Start of MODEL   11
    1    H1   GLU   1           1HT      GLU   1   6.726   8.553 -19.155
    2    H2   GLU   1           2HT      GLU   1   5.173   8.154 -19.702
    3    H3   GLU   1           3HT      GLU   1   5.466   9.683 -19.023
    4    HA   GLU   1           HA       GLU   1   6.565   8.636 -21.564
    5    HB2  GLU   1           2HB      GLU   1   4.239   9.268 -21.760
    6    HB3  GLU   1           1HB      GLU   1   4.539  10.792 -20.937
    7    HG2  GLU   1           2HG      GLU   1   4.297  11.099 -23.327
    8    HG3  GLU   1           1HG      GLU   1   5.913  11.542 -22.783
    9    H    PHE   2           H        PHE   2   8.238   9.701 -22.424
   10    HA   PHE   2           HA       PHE   2   9.322  11.964 -20.891
   11    HB2  PHE   2           2HB      PHE   2  10.573   9.768 -20.769
   12    HB3  PHE   2           1HB      PHE   2  10.900   9.941 -22.488
   13    HD1  PHE   2           2HD      PHE   2  11.397  11.642 -19.218
   14    HD2  PHE   2           1HD      PHE   2  12.697  11.167 -23.239
   15    HE1  PHE   2           2HE      PHE   2  13.390  13.006 -18.733
   16    HE2  PHE   2           1HE      PHE   2  14.689  12.524 -22.763
   17    HZ   PHE   2           HZ       PHE   2  15.034  13.449 -20.511
   18    H    CYS   3           H        CYS   3   8.631  10.650 -24.086
   19    HA   CYS   3           HA       CYS   3   9.804  13.074 -25.270
   20    HB2  CYS   3           2HB      CYS   3   9.216  10.563 -26.797
   21    HB3  CYS   3           1HB      CYS   3  10.306  11.875 -27.228
   22    H    LEU   4           H        LEU   4   6.959  12.197 -24.284
   23    HA   LEU   4           HA       LEU   4   4.783  12.567 -24.832
   24    HB2  LEU   4           2HB      LEU   4   5.958  14.367 -26.957
   25    HB3  LEU   4           1HB      LEU   4   4.281  14.359 -26.446
   26    HG   LEU   4           HG       LEU   4   6.631  15.101 -24.698
   27   HD11  LEU   4          1HD1      LEU   4   4.523  16.818 -25.990
   28   HD12  LEU   4          2HD1      LEU   4   6.225  16.747 -26.441
   29   HD13  LEU   4          3HD1      LEU   4   5.755  17.376 -24.860
   30   HD21  LEU   4          3HD2      LEU   4   4.914  15.844 -23.112
   31   HD22  LEU   4          1HD2      LEU   4   4.806  14.112 -23.422
   32   HD23  LEU   4          2HD2      LEU   4   3.660  15.216 -24.182
   33    H    ASN   5           H        ASN   5   6.217  10.346 -26.018
   34    HA   ASN   5           HA       ASN   5   4.422   9.311 -27.826
   35    HB2  ASN   5           2HB      ASN   5   5.170  11.096 -29.378
   36    HB3  ASN   5           1HB      ASN   5   6.814  10.462 -29.285
   37   HD21  ASN   5          1HD2      ASN   5   7.249   8.373 -30.133
   38   HD22  ASN   5          2HD2      ASN   5   6.222   7.707 -31.369
   39    H    CYS   6           H        CYS   6   7.928   9.546 -27.333
   40    HA   CYS   6           HA       CYS   6   8.530   7.026 -28.431
   41    HB2  CYS   6           2HB      CYS   6  10.739   7.377 -27.758
   42    HB3  CYS   6           1HB      CYS   6  10.121   9.017 -27.927
   43    H    VAL   7           H        VAL   7   7.194   7.877 -25.415
   44    HA   VAL   7           HA       VAL   7   7.971   5.279 -24.335
   45    HB   VAL   7           HB       VAL   7   7.281   7.871 -22.956
   46   HG11  VAL   7          1HG1      VAL   7   6.060   6.053 -21.817
   47   HG12  VAL   7          2HG1      VAL   7   7.369   6.677 -20.812
   48   HG13  VAL   7          3HG1      VAL   7   7.561   5.142 -21.662
   49   HG21  VAL   7          3HG2      VAL   7   9.665   6.019 -22.787
   50   HG22  VAL   7          1HG2      VAL   7   9.447   7.510 -21.868
   51   HG23  VAL   7          2HG2      VAL   7   9.600   7.572 -23.622
   52    H    SER   8           H        SER   8   5.200   7.547 -24.356
   53    HA   SER   8           HA       SER   8   3.456   5.485 -23.419
   54    HB2  SER   8           2HB      SER   8   3.212   7.886 -22.762
   55    HB3  SER   8           1HB      SER   8   2.699   8.234 -24.413
   56    HG   SER   8           HG       SER   8   0.803   7.371 -24.027
   57    H    HIS   9           H        HIS   9   3.827   7.255 -26.491
   58    HA   HIS   9           HA       HIS   9   1.677   5.807 -27.741
   59    HB2  HIS   9           2HB      HIS   9   3.828   7.543 -28.977
   60    HB3  HIS   9           1HB      HIS   9   2.457   6.866 -29.847
   61    HD1  HIS   9           1HD      HIS   9   2.883   9.896 -29.712
   62    HD2  HIS   9           2HD      HIS   9   0.490   7.754 -27.078
   63    HE1  HIS   9           1HE      HIS   9   1.236  11.559 -28.786
   64    HE2  HIS   9           2HE      HIS   9  -0.033  10.286 -27.016
   65    H    THR  10           H        THR  10   4.805   5.065 -26.944
   66    HA   THR  10           HA       THR  10   4.947   2.960 -28.995
   67    HB   THR  10           HB       THR  10   7.350   4.019 -27.541
   68    HG1  THR  10           1HG      THR  10   6.244   5.769 -28.663
   69   HG21  THR  10          3HG2      THR  10   7.011   2.715 -30.249
   70   HG22  THR  10          1HG2      THR  10   7.571   1.908 -28.782
   71   HG23  THR  10          2HG2      THR  10   8.542   3.186 -29.509
   72    H    ALA  11           H        ALA  11   3.757   3.151 -26.214
   73    HA   ALA  11           HA       ALA  11   5.220   1.487 -24.461
   74    HB1  ALA  11           3HB      ALA  11   3.302   2.875 -23.770
   75    HB2  ALA  11           1HB      ALA  11   3.126   1.193 -23.261
   76    HB3  ALA  11           2HB      ALA  11   2.223   1.796 -24.650
   77    H    SER  12           H        SER  12   3.773   0.843 -27.397
   78    HA   SER  12           HA       SER  12   2.910  -1.790 -27.247
   79    HB2  SER  12           2HB      SER  12   3.048  -0.027 -29.237
   80    HB3  SER  12           1HB      SER  12   4.553  -0.875 -29.576
   81    HG   SER  12           HG       SER  12   1.925  -1.764 -29.804
   82    H    TYR  13           H        TYR  13   6.135  -0.434 -27.695
   83    HA   TYR  13           HA       TYR  13   7.496  -2.887 -28.070
   84    HB2  TYR  13           2HB      TYR  13   8.240  -0.574 -28.764
   85    HB3  TYR  13           1HB      TYR  13   8.632  -0.264 -27.082
   86    HD1  TYR  13           2HD      TYR  13   9.444  -2.510 -29.938
   87    HD2  TYR  13           1HD      TYR  13  10.727  -0.848 -26.237
   88    HE1  TYR  13           2HE      TYR  13  11.697  -3.431 -30.305
   89    HE2  TYR  13           1HE      TYR  13  12.977  -1.760 -26.604
   90    HH   TYR  13           HH       TYR  13  14.025  -2.935 -29.591
   91    H    LEU  14           H        LEU  14   6.137  -1.476 -25.334
   92    HA   LEU  14           HA       LEU  14   8.017  -2.826 -23.527
   93    HB2  LEU  14           2HB      LEU  14   5.862  -0.816 -22.891
   94    HB3  LEU  14           1HB      LEU  14   7.006  -1.489 -21.745
   95    HG   LEU  14           HG       LEU  14   7.764   0.216 -24.119
   96   HD11  LEU  14          1HD1      LEU  14   6.493   1.506 -22.499
   97   HD12  LEU  14          2HD1      LEU  14   8.195   1.968 -22.465
   98   HD13  LEU  14          3HD1      LEU  14   7.538   0.929 -21.201
   99   HD21  LEU  14          3HD2      LEU  14   9.943   0.345 -23.007
  100   HD22  LEU  14          1HD2      LEU  14   9.528  -1.313 -23.440
  101   HD23  LEU  14          2HD2      LEU  14   9.373  -0.775 -21.768
  102    H    ARG  15           H        ARG  15   4.603  -2.704 -24.420
  103    HA   ARG  15           HA       ARG  15   4.056  -4.718 -22.356
  104    HB2  ARG  15           2HB      ARG  15   2.198  -2.868 -23.850
  105    HB3  ARG  15           1HB      ARG  15   1.654  -4.108 -22.723
  106    HG2  ARG  15           2HG      ARG  15   2.943  -3.047 -20.937
  107    HG3  ARG  15           1HG      ARG  15   3.472  -1.801 -22.066
  108    HD2  ARG  15           2HD      ARG  15   1.206  -1.021 -22.336
  109    HD3  ARG  15           1HD      ARG  15   0.596  -2.342 -21.334
  110    HE   ARG  15           HE       ARG  15   2.310  -1.158 -19.653
  111   HH11  ARG  15          1HH1      ARG  15  -0.117   0.217 -21.772
  112   HH12  ARG  15          2HH1      ARG  15  -0.444   1.576 -20.725
  113   HH21  ARG  15          1HH2      ARG  15   1.870   0.608 -18.259
  114   HH22  ARG  15          2HH2      ARG  15   0.655   1.783 -18.709
  115    H    LEU  16           H        LEU  16   3.448  -4.058 -25.785
  116    HA   LEU  16           HA       LEU  16   2.180  -6.570 -26.257
  117    HB2  LEU  16           2HB      LEU  16   3.306  -4.454 -28.084
  118    HB3  LEU  16           1HB      LEU  16   2.633  -5.951 -28.702
  119    HG   LEU  16           HG       LEU  16   0.954  -4.264 -28.877
  120   HD11  LEU  16          1HD1      LEU  16   0.379  -6.047 -26.520
  121   HD12  LEU  16          2HD1      LEU  16   0.138  -6.440 -28.222
  122   HD13  LEU  16          3HD1      LEU  16  -0.830  -5.175 -27.464
  123   HD21  LEU  16          3HD2      LEU  16   1.860  -2.677 -27.257
  124   HD22  LEU  16          1HD2      LEU  16   1.355  -3.729 -25.937
  125   HD23  LEU  16          2HD2      LEU  16   0.144  -2.974 -26.973
  126    H    TRP  17           H        TRP  17   5.427  -5.479 -26.116
  127    HA   TRP  17           HA       TRP  17   6.660  -7.485 -27.693
  128    HB2  TRP  17           2HB      TRP  17   7.767  -5.366 -27.083
  129    HB3  TRP  17           1HB      TRP  17   7.789  -5.866 -25.398
  130    HD1  TRP  17           HD       TRP  17   9.307  -6.953 -28.807
  131    HE1  TRP  17           1HE      TRP  17  11.598  -8.058 -28.339
  132    HE3  TRP  17           3HE      TRP  17   9.213  -6.883 -23.686
  133    HZ2  TRP  17           2HZ      TRP  17  13.130  -8.797 -26.095
  134    HZ3  TRP  17           3HZ      TRP  17  11.137  -7.810 -22.457
  135    HH2  TRP  17           HH       TRP  17  13.053  -8.749 -23.645
  136    H    ALA  18           H        ALA  18   5.291  -7.489 -24.554
  137    HA   ALA  18           HA       ALA  18   6.874  -9.272 -23.160
  138    HB1  ALA  18           3HB      ALA  18   5.087  -8.024 -22.099
  139    HB2  ALA  18           1HB      ALA  18   4.901  -9.748 -21.793
  140    HB3  ALA  18           2HB      ALA  18   3.881  -8.952 -22.992
  141    H    LEU  19           H        LEU  19   4.342  -9.933 -25.512
  142    HA   LEU  19           HA       LEU  19   5.307 -12.698 -25.629
  143    HB2  LEU  19           2HB      LEU  19   3.143 -12.499 -24.325
  144    HB3  LEU  19           1HB      LEU  19   2.382 -11.947 -25.801
  145    HG   LEU  19           HG       LEU  19   2.887 -14.106 -26.871
  146   HD11  LEU  19          1HD1      LEU  19   3.736 -15.972 -25.574
  147   HD12  LEU  19          2HD1      LEU  19   3.936 -14.934 -24.162
  148   HD13  LEU  19          3HD1      LEU  19   4.919 -14.662 -25.602
  149   HD21  LEU  19          3HD2      LEU  19   1.296 -15.446 -25.597
  150   HD22  LEU  19          1HD2      LEU  19   0.752 -13.776 -25.748
  151   HD23  LEU  19          2HD2      LEU  19   1.448 -14.343 -24.228
  152    H    SER  20           H        SER  20   6.085 -10.531 -27.223
  153    HA   SER  20           HA       SER  20   4.552 -10.584 -29.668
  154    HB2  SER  20           2HB      SER  20   5.707  -8.518 -28.782
  155    HB3  SER  20           1HB      SER  20   7.241  -9.291 -29.163
  156    HG   SER  20           HG       SER  20   5.848  -7.818 -30.762
  157    H    LEU  21           H        LEU  21   6.449 -10.501 -31.605
  158    HA   LEU  21           HA       LEU  21   7.132 -13.283 -31.878
  159    HB2  LEU  21           2HB      LEU  21   7.518 -10.913 -33.709
  160    HB3  LEU  21           1HB      LEU  21   7.962 -12.549 -34.135
  161    HG   LEU  21           HG       LEU  21   5.498 -13.145 -33.721
  162   HD11  LEU  21          1HD1      LEU  21   5.254 -10.153 -33.990
  163   HD12  LEU  21          2HD1      LEU  21   4.814 -11.120 -32.582
  164   HD13  LEU  21          3HD1      LEU  21   3.921 -11.300 -34.094
  165   HD21  LEU  21          3HD2      LEU  21   6.511 -13.129 -35.917
  166   HD22  LEU  21          1HD2      LEU  21   6.296 -11.379 -36.033
  167   HD23  LEU  21          2HD2      LEU  21   4.890 -12.442 -35.986
  168    H    ALA  22           H        ALA  22   9.145 -14.173 -31.930
  169    HA   ALA  22           HA       ALA  22  11.293 -12.487 -30.861
  170    HB1  ALA  22           3HB      ALA  22  10.976 -15.490 -30.825
  171    HB2  ALA  22           1HB      ALA  22  10.632 -14.394 -29.488
  172    HB3  ALA  22           2HB      ALA  22  12.286 -14.578 -30.072
  173    H    HIS  23           H        HIS  23  10.263 -13.404 -33.737
  174    HA   HIS  23           HA       HIS  23  12.933 -13.499 -34.868
  175    HB2  HIS  23           2HB      HIS  23  12.400 -15.336 -36.382
  176    HB3  HIS  23           1HB      HIS  23  12.251 -15.856 -34.710
  177    HD1  HIS  23           1HD      HIS  23  10.520 -16.045 -37.857
  178    HD2  HIS  23           2HD      HIS  23   9.387 -15.792 -33.856
  179    HE1  HIS  23           1HE      HIS  23   8.144 -16.849 -37.762
  180    HE2  HIS  23           2HE      HIS  23   7.411 -16.492 -35.377
  181    H    ALA  24           H        ALA  24  13.155 -12.376 -36.710
  182    HA   ALA  24           HA       ALA  24  10.816 -10.994 -37.765
  183    HB1  ALA  24           3HB      ALA  24  12.877  -9.727 -37.433
  184    HB2  ALA  24           1HB      ALA  24  12.440  -9.764 -39.141
  185    HB3  ALA  24           2HB      ALA  24  13.730 -10.806 -38.536
  186    H    GLN  25           H        GLN  25  12.993 -13.562 -38.536
  187    HA   GLN  25           HA       GLN  25  11.456 -14.142 -40.971
  188    HB2  GLN  25           2HB      GLN  25  13.770 -13.648 -41.513
  189    HB3  GLN  25           1HB      GLN  25  14.330 -14.772 -40.279
  190    HG2  GLN  25           2HG      GLN  25  13.417 -16.641 -41.550
  191    HG3  GLN  25           1HG      GLN  25  12.770 -15.531 -42.752
  192   HE21  GLN  25          1HE2      GLN  25  14.140 -14.487 -44.156
  193   HE22  GLN  25          2HE2      GLN  25  15.764 -15.023 -44.444
  Start of MODEL   12
    1    H1   GLU   1           1HT      GLU   1   5.912   6.031 -17.075
    2    H2   GLU   1           2HT      GLU   1   6.913   7.050 -16.162
    3    H3   GLU   1           3HT      GLU   1   7.382   5.448 -16.453
    4    HA   GLU   1           HA       GLU   1   7.637   5.875 -18.791
    5    HB2  GLU   1           2HB      GLU   1   5.867   7.544 -19.025
    6    HB3  GLU   1           1HB      GLU   1   6.788   8.688 -18.058
    7    HG2  GLU   1           2HG      GLU   1   6.880   9.120 -20.490
    8    HG3  GLU   1           1HG      GLU   1   8.458   8.878 -19.746
    9    H    PHE   2           H        PHE   2   9.722   5.794 -19.112
   10    HA   PHE   2           HA       PHE   2  11.496   7.330 -17.343
   11    HB2  PHE   2           2HB      PHE   2  11.651   4.875 -17.177
   12    HB3  PHE   2           1HB      PHE   2  12.024   4.784 -18.890
   13    HD1  PHE   2           2HD      PHE   2  13.256   6.105 -15.672
   14    HD2  PHE   2           1HD      PHE   2  14.231   4.989 -19.658
   15    HE1  PHE   2           2HE      PHE   2  15.646   6.341 -15.146
   16    HE2  PHE   2           1HE      PHE   2  16.627   5.220 -19.143
   17    HZ   PHE   2           HZ       PHE   2  17.348   5.889 -16.944
   18    H    CYS   3           H        CYS   3  10.562   6.800 -20.650
   19    HA   CYS   3           HA       CYS   3  12.988   8.191 -21.574
   20    HB2  CYS   3           2HB      CYS   3  12.595   5.856 -22.415
   21    HB3  CYS   3           1HB      CYS   3  11.149   6.451 -23.219
   22    H    LEU   4           H        LEU   4  10.027   8.925 -20.718
   23    HA   LEU   4           HA       LEU   4   8.577  10.625 -21.127
   24    HB2  LEU   4           2HB      LEU   4  11.004  11.631 -22.584
   25    HB3  LEU   4           1HB      LEU   4   9.514  12.554 -22.544
   26    HG   LEU   4           HG       LEU   4   9.647  12.539 -20.046
   27   HD11  LEU   4          1HD1      LEU   4  12.398  11.410 -20.533
   28   HD12  LEU   4          2HD1      LEU   4  11.054  10.585 -19.743
   29   HD13  LEU   4          3HD1      LEU   4  11.784  12.002 -18.989
   30   HD21  LEU   4          3HD2      LEU   4  11.968  13.768 -21.524
   31   HD22  LEU   4          1HD2      LEU   4  11.415  14.237 -19.917
   32   HD23  LEU   4          2HD2      LEU   4  10.366  14.474 -21.314
   33    H    ASN   5           H        ASN   5   8.487   8.293 -22.838
   34    HA   ASN   5           HA       ASN   5   6.709   8.803 -24.806
   35    HB2  ASN   5           2HB      ASN   5   8.273  10.355 -25.883
   36    HB3  ASN   5           1HB      ASN   5   9.506   9.104 -25.936
   37   HD21  ASN   5          1HD2      ASN   5   9.229   7.337 -27.330
   38   HD22  ASN   5          2HD2      ASN   5   8.166   7.413 -28.696
   39    H    CYS   6           H        CYS   6   9.832   7.178 -24.403
   40    HA   CYS   6           HA       CYS   6   9.251   5.210 -26.363
   41    HB2  CYS   6           2HB      CYS   6  11.391   4.991 -24.259
   42    HB3  CYS   6           1HB      CYS   6  11.386   4.308 -25.880
   43    H    VAL   7           H        VAL   7   8.237   5.509 -23.193
   44    HA   VAL   7           HA       VAL   7   7.864   2.610 -22.975
   45    HB   VAL   7           HB       VAL   7   8.062   4.684 -20.786
   46   HG11  VAL   7          1HG1      VAL   7   7.453   1.732 -20.554
   47   HG12  VAL   7          2HG1      VAL   7   6.335   3.055 -20.222
   48   HG13  VAL   7          3HG1      VAL   7   7.758   2.827 -19.205
   49   HG21  VAL   7          3HG2      VAL   7  10.203   3.985 -21.714
   50   HG22  VAL   7          1HG2      VAL   7   9.782   2.292 -21.442
   51   HG23  VAL   7          2HG2      VAL   7  10.001   3.378 -20.071
   52    H    SER   8           H        SER   8   6.306   5.734 -22.265
   53    HA   SER   8           HA       SER   8   3.788   4.391 -21.890
   54    HB2  SER   8           2HB      SER   8   4.539   7.291 -21.606
   55    HB3  SER   8           1HB      SER   8   2.970   6.603 -21.180
   56    HG   SER   8           HG       SER   8   4.580   5.070 -19.947
   57    H    HIS   9           H        HIS   9   5.211   6.701 -24.161
   58    HA   HIS   9           HA       HIS   9   2.718   7.070 -25.568
   59    HB2  HIS   9           2HB      HIS   9   4.383   8.897 -25.324
   60    HB3  HIS   9           1HB      HIS   9   5.500   7.982 -26.330
   61    HD1  HIS   9           1HD      HIS   9   2.572  10.235 -26.465
   62    HD2  HIS   9           2HD      HIS   9   4.753   7.846 -29.084
   63    HE1  HIS   9           1HE      HIS   9   1.902  10.965 -28.778
   64    HE2  HIS   9           2HE      HIS   9   3.382   9.648 -30.337
   65    H    THR  10           H        THR  10   5.663   5.211 -26.003
   66    HA   THR  10           HA       THR  10   4.957   4.340 -28.663
   67    HB   THR  10           HB       THR  10   7.053   3.179 -26.809
   68    HG1  THR  10           1HG      THR  10   7.346   5.272 -28.732
   69   HG21  THR  10          3HG2      THR  10   8.158   2.529 -28.911
   70   HG22  THR  10          1HG2      THR  10   6.788   3.165 -29.817
   71   HG23  THR  10          2HG2      THR  10   6.570   1.783 -28.744
   72    H    ALA  11           H        ALA  11   5.139   3.009 -25.421
   73    HA   ALA  11           HA       ALA  11   4.047   1.369 -24.319
   74    HB1  ALA  11           3HB      ALA  11   2.065   2.557 -25.207
   75    HB2  ALA  11           1HB      ALA  11   1.789   0.839 -24.922
   76    HB3  ALA  11           2HB      ALA  11   2.042   1.431 -26.564
   77    H    SER  12           H        SER  12   3.628   0.511 -27.725
   78    HA   SER  12           HA       SER  12   3.301  -2.198 -27.465
   79    HB2  SER  12           2HB      SER  12   3.161  -0.546 -29.489
   80    HB3  SER  12           1HB      SER  12   4.805  -1.096 -29.795
   81    HG   SER  12           HG       SER  12   2.394  -2.546 -29.845
   82    H    TYR  13           H        TYR  13   6.358  -0.472 -27.878
   83    HA   TYR  13           HA       TYR  13   8.081  -2.592 -28.268
   84    HB2  TYR  13           2HB      TYR  13   8.775  -0.287 -28.511
   85    HB3  TYR  13           1HB      TYR  13   8.541   0.002 -26.793
   86    HD1  TYR  13           2HD      TYR  13  10.637  -1.765 -29.273
   87    HD2  TYR  13           1HD      TYR  13  10.228  -0.545 -25.219
   88    HE1  TYR  13           2HE      TYR  13  12.973  -2.401 -28.852
   89    HE2  TYR  13           1HE      TYR  13  12.558  -1.170 -24.786
   90    HH   TYR  13           HH       TYR  13  14.794  -1.715 -27.172
   91    H    LEU  14           H        LEU  14   6.713  -1.429 -25.239
   92    HA   LEU  14           HA       LEU  14   8.324  -3.392 -23.753
   93    HB2  LEU  14           2HB      LEU  14   8.441  -1.071 -22.961
   94    HB3  LEU  14           1HB      LEU  14   6.700  -1.054 -22.744
   95    HG   LEU  14           HG       LEU  14   6.931  -2.823 -21.029
   96   HD11  LEU  14          1HD1      LEU  14   8.974  -3.862 -21.786
   97   HD12  LEU  14          2HD1      LEU  14   9.160  -3.311 -20.121
   98   HD13  LEU  14          3HD1      LEU  14   9.879  -2.389 -21.439
   99   HD21  LEU  14          3HD2      LEU  14   7.947  -1.387 -19.290
  100   HD22  LEU  14          1HD2      LEU  14   6.792  -0.529 -20.311
  101   HD23  LEU  14          2HD2      LEU  14   8.523  -0.311 -20.565
  102    H    ARG  15           H        ARG  15   5.014  -2.279 -24.245
  103    HA   ARG  15           HA       ARG  15   4.026  -4.686 -22.877
  104    HB2  ARG  15           2HB      ARG  15   2.778  -1.985 -23.341
  105    HB3  ARG  15           1HB      ARG  15   1.840  -3.377 -22.823
  106    HG2  ARG  15           2HG      ARG  15   3.093  -3.535 -20.780
  107    HG3  ARG  15           1HG      ARG  15   4.204  -2.271 -21.318
  108    HD2  ARG  15           2HD      ARG  15   1.249  -1.779 -21.045
  109    HD3  ARG  15           1HD      ARG  15   2.351  -1.611 -19.677
  110    HE   ARG  15           HE       ARG  15   3.555   0.071 -21.071
  111   HH11  ARG  15          1HH1      ARG  15   0.186  -0.641 -21.741
  112   HH12  ARG  15          2HH1      ARG  15  -0.149   0.969 -22.338
  113   HH21  ARG  15          1HH2      ARG  15   3.112   2.167 -21.854
  114   HH22  ARG  15          2HH2      ARG  15   1.509   2.542 -22.427
  115    H    LEU  16           H        LEU  16   2.876  -6.157 -23.998
  116    HA   LEU  16           HA       LEU  16   3.102  -6.066 -26.841
  117    HB2  LEU  16           2HB      LEU  16   1.692  -8.059 -25.067
  118    HB3  LEU  16           1HB      LEU  16   2.043  -8.286 -26.773
  119    HG   LEU  16           HG       LEU  16   4.078  -8.007 -24.561
  120   HD11  LEU  16          1HD1      LEU  16   4.625 -10.342 -25.171
  121   HD12  LEU  16          2HD1      LEU  16   3.212 -10.361 -26.228
  122   HD13  LEU  16          3HD1      LEU  16   3.011 -10.153 -24.487
  123   HD21  LEU  16          3HD2      LEU  16   4.471  -8.466 -27.515
  124   HD22  LEU  16          1HD2      LEU  16   5.738  -8.481 -26.288
  125   HD23  LEU  16          2HD2      LEU  16   4.863  -6.989 -26.632
  126    H    TRP  17           H        TRP  17   1.849  -4.267 -27.422
  127    HA   TRP  17           HA       TRP  17  -0.974  -4.915 -27.756
  128    HB2  TRP  17           2HB      TRP  17  -0.881  -3.502 -25.744
  129    HB3  TRP  17           1HB      TRP  17  -0.029  -2.257 -26.651
  130    HD1  TRP  17           HD       TRP  17  -1.460  -0.693 -28.230
  131    HE1  TRP  17           1HE      TRP  17  -3.993  -0.346 -28.565
  132    HE3  TRP  17           3HE      TRP  17  -3.169  -4.805 -25.715
  133    HZ2  TRP  17           2HZ      TRP  17  -6.392  -1.652 -27.846
  134    HZ3  TRP  17           3HZ      TRP  17  -5.600  -5.183 -25.588
  135    HH2  TRP  17           HH       TRP  17  -7.174  -3.637 -26.635
  136    H    ALA  18           H        ALA  18  -0.940  -5.133 -29.875
  137    HA   ALA  18           HA       ALA  18  -0.865  -2.765 -31.487
  138    HB1  ALA  18           3HB      ALA  18   1.530  -3.314 -31.454
  139    HB2  ALA  18           1HB      ALA  18   0.835  -3.498 -33.065
  140    HB3  ALA  18           2HB      ALA  18   1.159  -4.923 -32.075
  141    H    LEU  19           H        LEU  19  -0.329  -6.231 -32.104
  142    HA   LEU  19           HA       LEU  19  -2.744  -6.283 -33.777
  143    HB2  LEU  19           2HB      LEU  19  -0.544  -8.318 -33.388
  144    HB3  LEU  19           1HB      LEU  19  -1.901  -8.513 -34.482
  145    HG   LEU  19           HG       LEU  19   0.257  -6.407 -34.713
  146   HD11  LEU  19          1HD1      LEU  19  -0.271  -8.865 -36.369
  147   HD12  LEU  19          2HD1      LEU  19   1.057  -8.658 -35.224
  148   HD13  LEU  19          3HD1      LEU  19   0.971  -7.653 -36.671
  149   HD21  LEU  19          3HD2      LEU  19  -0.751  -5.957 -36.911
  150   HD22  LEU  19          1HD2      LEU  19  -1.850  -5.586 -35.582
  151   HD23  LEU  19          2HD2      LEU  19  -2.066  -7.064 -36.519
  152    H    SER  20           H        SER  20  -2.558  -6.220 -30.786
  153    HA   SER  20           HA       SER  20  -3.301  -8.748 -29.749
  154    HB2  SER  20           2HB      SER  20  -3.793  -6.019 -28.547
  155    HB3  SER  20           1HB      SER  20  -3.637  -7.554 -27.686
  156    HG   SER  20           HG       SER  20  -1.630  -6.834 -27.520
  157    H    LEU  21           H        LEU  21  -5.089  -9.666 -30.565
  158    HA   LEU  21           HA       LEU  21  -7.448  -8.353 -31.345
  159    HB2  LEU  21           2HB      LEU  21  -7.169 -11.193 -30.363
  160    HB3  LEU  21           1HB      LEU  21  -8.481 -10.552 -31.331
  161    HG   LEU  21           HG       LEU  21  -5.615 -10.830 -32.242
  162   HD11  LEU  21          1HD1      LEU  21  -8.084 -12.397 -32.992
  163   HD12  LEU  21          2HD1      LEU  21  -6.759 -12.980 -31.986
  164   HD13  LEU  21          3HD1      LEU  21  -6.474 -12.598 -33.682
  165   HD21  LEU  21          3HD2      LEU  21  -6.758  -8.929 -33.259
  166   HD22  LEU  21          1HD2      LEU  21  -8.088  -9.981 -33.744
  167   HD23  LEU  21          2HD2      LEU  21  -6.482 -10.216 -34.432
  168    H    ALA  22           H        ALA  22  -6.462  -9.822 -28.318
  169    HA   ALA  22           HA       ALA  22  -8.202  -8.187 -26.772
  170    HB1  ALA  22           3HB      ALA  22  -8.854 -11.135 -26.894
  171    HB2  ALA  22           1HB      ALA  22  -9.871  -9.825 -27.487
  172    HB3  ALA  22           2HB      ALA  22  -9.550  -9.979 -25.759
  173    H    HIS  23           H        HIS  23  -6.347 -11.172 -26.916
  174    HA   HIS  23           HA       HIS  23  -4.740 -10.243 -24.689
  175    HB2  HIS  23           2HB      HIS  23  -4.655 -12.504 -23.710
  176    HB3  HIS  23           1HB      HIS  23  -6.282 -11.844 -23.681
  177    HD1  HIS  23           1HD      HIS  23  -8.099 -13.084 -24.986
  178    HD2  HIS  23           2HD      HIS  23  -4.298 -14.708 -25.513
  179    HE1  HIS  23           1HE      HIS  23  -8.448 -15.295 -26.141
  180    HE2  HIS  23           2HE      HIS  23  -6.136 -16.218 -26.536
  181    H    ALA  24           H        ALA  24  -2.576 -10.647 -24.941
  182    HA   ALA  24           HA       ALA  24  -1.721 -11.748 -27.469
  183    HB1  ALA  24           3HB      ALA  24  -0.580  -9.788 -26.529
  184    HB2  ALA  24           1HB      ALA  24   0.531 -11.136 -26.756
  185    HB3  ALA  24           2HB      ALA  24  -0.068 -10.752 -25.142
  186    H    GLN  25           H        GLN  25  -1.602 -12.579 -24.062
  187    HA   GLN  25           HA       GLN  25  -0.796 -15.312 -24.755
  188    HB2  GLN  25           2HB      GLN  25   0.662 -14.187 -23.144
  189    HB3  GLN  25           1HB      GLN  25  -0.721 -13.823 -22.123
  190    HG2  GLN  25           2HG      GLN  25   0.361 -15.642 -21.114
  191    HG3  GLN  25           1HG      GLN  25  -1.053 -16.323 -21.909
  192   HE21  GLN  25          1HE2      GLN  25   1.457 -17.583 -21.084
  193   HE22  GLN  25          2HE2      GLN  25   2.126 -18.304 -22.523
  Start of MODEL   13
    1    H1   GLU   1           1HT      GLU   1  13.744   4.128 -18.575
    2    H2   GLU   1           2HT      GLU   1  13.547   2.582 -19.243
    3    H3   GLU   1           3HT      GLU   1  12.221   3.635 -19.146
    4    HA   GLU   1           HA       GLU   1  13.041   3.524 -21.387
    5    HB2  GLU   1           2HB      GLU   1  12.090   5.632 -20.703
    6    HB3  GLU   1           1HB      GLU   1  13.606   6.127 -19.955
    7    HG2  GLU   1           2HG      GLU   1  13.251   7.237 -22.084
    8    HG3  GLU   1           1HG      GLU   1  14.667   6.185 -22.140
    9    H    PHE   2           H        PHE   2  14.680   3.093 -22.680
   10    HA   PHE   2           HA       PHE   2  17.394   3.388 -21.606
   11    HB2  PHE   2           2HB      PHE   2  16.627   1.071 -22.029
   12    HB3  PHE   2           1HB      PHE   2  16.381   1.478 -23.721
   13    HD1  PHE   2           2HD      PHE   2  18.932   1.189 -21.082
   14    HD2  PHE   2           1HD      PHE   2  18.168   1.404 -25.256
   15    HE1  PHE   2           2HE      PHE   2  21.280   0.602 -21.539
   16    HE2  PHE   2           1HE      PHE   2  20.514   0.816 -25.723
   17    HZ   PHE   2           HZ       PHE   2  22.073   0.418 -23.863
   18    H    CYS   3           H        CYS   3  15.320   3.931 -24.412
   19    HA   CYS   3           HA       CYS   3  17.622   5.008 -25.862
   20    HB2  CYS   3           2HB      CYS   3  14.957   4.391 -27.082
   21    HB3  CYS   3           1HB      CYS   3  16.510   4.551 -27.885
   22    H    LEU   4           H        LEU   4  15.467   6.220 -23.888
   23    HA   LEU   4           HA       LEU   4  14.399   8.196 -23.573
   24    HB2  LEU   4           2HB      LEU   4  16.084   9.130 -25.897
   25    HB3  LEU   4           1HB      LEU   4  15.209  10.167 -24.787
   26    HG   LEU   4           HG       LEU   4  17.515   8.361 -24.055
   27   HD11  LEU   4          1HD1      LEU   4  17.361  11.366 -24.249
   28   HD12  LEU   4          2HD1      LEU   4  18.193  10.305 -25.383
   29   HD13  LEU   4          3HD1      LEU   4  18.755  10.427 -23.717
   30   HD21  LEU   4          3HD2      LEU   4  15.957  10.335 -22.389
   31   HD22  LEU   4          1HD2      LEU   4  17.409   9.473 -21.875
   32   HD23  LEU   4          2HD2      LEU   4  15.929   8.579 -22.223
   33    H    ASN   5           H        ASN   5  13.257   6.178 -25.350
   34    HA   ASN   5           HA       ASN   5  11.071   7.440 -26.446
   35    HB2  ASN   5           2HB      ASN   5  12.620   8.482 -28.058
   36    HB3  ASN   5           1HB      ASN   5  13.171   6.886 -28.564
   37   HD21  ASN   5          1HD2      ASN   5  11.629   5.486 -29.609
   38   HD22  ASN   5          2HD2      ASN   5  10.309   6.172 -30.504
   39    H    CYS   6           H        CYS   6  13.381   4.844 -27.250
   40    HA   CYS   6           HA       CYS   6  11.492   3.238 -28.586
   41    HB2  CYS   6           2HB      CYS   6  13.174   1.649 -28.828
   42    HB3  CYS   6           1HB      CYS   6  14.098   3.135 -28.637
   43    H    VAL   7           H        VAL   7  11.901   3.839 -25.319
   44    HA   VAL   7           HA       VAL   7  10.549   1.343 -24.631
   45    HB   VAL   7           HB       VAL   7  12.369   3.137 -23.034
   46   HG11  VAL   7          1HG1      VAL   7  10.604   0.925 -21.927
   47   HG12  VAL   7          2HG1      VAL   7  10.430   2.648 -21.591
   48   HG13  VAL   7          3HG1      VAL   7  11.864   1.784 -21.043
   49   HG21  VAL   7          3HG2      VAL   7  13.349   1.342 -24.391
   50   HG22  VAL   7          1HG2      VAL   7  12.356   0.161 -23.536
   51   HG23  VAL   7          2HG2      VAL   7  13.589   1.073 -22.664
   52    H    SER   8           H        SER   8  10.573   4.820 -23.829
   53    HA   SER   8           HA       SER   8   8.076   4.533 -22.447
   54    HB2  SER   8           2HB      SER   8   9.534   7.100 -23.052
   55    HB3  SER   8           1HB      SER   8   8.311   6.833 -21.813
   56    HG   SER   8           HG       SER   8  10.952   5.848 -21.920
   57    H    HIS   9           H        HIS   9   9.163   6.093 -25.431
   58    HA   HIS   9           HA       HIS   9   6.531   7.265 -25.843
   59    HB2  HIS   9           2HB      HIS   9   9.116   7.535 -27.394
   60    HB3  HIS   9           1HB      HIS   9   7.630   8.408 -27.768
   61    HD1  HIS   9           1HD      HIS   9   7.220  10.549 -26.514
   62    HD2  HIS   9           2HD      HIS   9  10.263   8.261 -24.829
   63    HE1  HIS   9           1HE      HIS   9   8.223  11.969 -24.696
   64    HE2  HIS   9           2HE      HIS   9   9.876  10.458 -23.531
   65    H    THR  10           H        THR  10   6.645   4.469 -25.969
   66    HA   THR  10           HA       THR  10   5.584   4.141 -28.664
   67    HB   THR  10           HB       THR  10   7.681   3.107 -28.966
   68    HG1  THR  10           1HG      THR  10   5.809   1.809 -29.583
   69   HG21  THR  10          3HG2      THR  10   8.625   1.436 -27.445
   70   HG22  THR  10          1HG2      THR  10   7.261   1.656 -26.350
   71   HG23  THR  10          2HG2      THR  10   8.387   2.983 -26.632
   72    H    ALA  11           H        ALA  11   5.943   2.689 -25.451
   73    HA   ALA  11           HA       ALA  11   4.534   1.601 -24.066
   74    HB1  ALA  11           3HB      ALA  11   2.142   1.905 -24.244
   75    HB2  ALA  11           1HB      ALA  11   2.317   2.518 -25.891
   76    HB3  ALA  11           2HB      ALA  11   2.966   3.437 -24.535
   77    H    SER  12           H        SER  12   3.495   1.105 -27.422
   78    HA   SER  12           HA       SER  12   2.422  -1.436 -27.208
   79    HB2  SER  12           2HB      SER  12   2.411   0.134 -29.213
   80    HB3  SER  12           1HB      SER  12   4.031  -0.449 -29.571
   81    HG   SER  12           HG       SER  12   3.269  -2.424 -30.034
   82    H    TYR  13           H        TYR  13   5.769  -0.516 -27.927
   83    HA   TYR  13           HA       TYR  13   6.779  -3.058 -28.422
   84    HB2  TYR  13           2HB      TYR  13   8.031  -1.117 -29.060
   85    HB3  TYR  13           1HB      TYR  13   8.108  -0.554 -27.397
   86    HD1  TYR  13           2HD      TYR  13   9.298  -3.266 -29.663
   87    HD2  TYR  13           1HD      TYR  13   9.889  -1.155 -26.018
   88    HE1  TYR  13           2HE      TYR  13  11.470  -4.390 -29.363
   89    HE2  TYR  13           1HE      TYR  13  12.048  -2.271 -25.709
   90    HH   TYR  13           HH       TYR  13  13.582  -4.056 -28.182
   91    H    LEU  14           H        LEU  14   6.610  -1.240 -25.385
   92    HA   LEU  14           HA       LEU  14   7.953  -3.308 -23.903
   93    HB2  LEU  14           2HB      LEU  14   8.119  -0.902 -23.346
   94    HB3  LEU  14           1HB      LEU  14   6.424  -0.903 -22.909
   95    HG   LEU  14           HG       LEU  14   6.922  -2.530 -21.107
   96   HD11  LEU  14          1HD1      LEU  14   9.792  -2.018 -21.883
   97   HD12  LEU  14          2HD1      LEU  14   8.921  -3.543 -22.065
   98   HD13  LEU  14          3HD1      LEU  14   9.252  -2.902 -20.455
   99   HD21  LEU  14          3HD2      LEU  14   8.000  -0.921 -19.623
  100   HD22  LEU  14          1HD2      LEU  14   6.806  -0.136 -20.656
  101   HD23  LEU  14          2HD2      LEU  14   8.525   0.020 -21.020
  102    H    ARG  15           H        ARG  15   4.640  -2.395 -24.548
  103    HA   ARG  15           HA       ARG  15   3.470  -3.952 -22.466
  104    HB2  ARG  15           2HB      ARG  15   2.353  -2.019 -23.551
  105    HB3  ARG  15           1HB      ARG  15   2.241  -2.946 -25.037
  106    HG2  ARG  15           2HG      ARG  15   0.831  -4.597 -23.881
  107    HG3  ARG  15           1HG      ARG  15   0.897  -3.596 -22.428
  108    HD2  ARG  15           2HD      ARG  15  -0.232  -2.784 -25.110
  109    HD3  ARG  15           1HD      ARG  15  -1.167  -3.215 -23.677
  110    HE   ARG  15           HE       ARG  15   0.629  -1.059 -23.132
  111   HH11  ARG  15          1HH1      ARG  15  -2.428  -1.842 -24.679
  112   HH12  ARG  15          2HH1      ARG  15  -3.096  -0.252 -24.440
  113   HH21  ARG  15          1HH2      ARG  15  -0.236   1.057 -22.881
  114   HH22  ARG  15          2HH2      ARG  15  -1.843   1.398 -23.481
  115    H    LEU  16           H        LEU  16   4.274  -4.545 -25.841
  116    HA   LEU  16           HA       LEU  16   2.992  -7.148 -25.752
  117    HB2  LEU  16           2HB      LEU  16   4.470  -5.754 -27.984
  118    HB3  LEU  16           1HB      LEU  16   3.645  -7.296 -28.127
  119    HG   LEU  16           HG       LEU  16   2.313  -4.659 -27.492
  120   HD11  LEU  16          1HD1      LEU  16   1.329  -4.885 -29.718
  121   HD12  LEU  16          2HD1      LEU  16   2.287  -6.340 -29.996
  122   HD13  LEU  16          3HD1      LEU  16   3.085  -4.779 -29.799
  123   HD21  LEU  16          3HD2      LEU  16   0.221  -5.928 -27.785
  124   HD22  LEU  16          1HD2      LEU  16   1.175  -6.521 -26.423
  125   HD23  LEU  16          2HD2      LEU  16   1.163  -7.413 -27.944
  126    H    TRP  17           H        TRP  17   6.041  -5.871 -25.082
  127    HA   TRP  17           HA       TRP  17   7.625  -8.090 -25.887
  128    HB2  TRP  17           2HB      TRP  17   8.441  -5.733 -25.394
  129    HB3  TRP  17           1HB      TRP  17   8.322  -6.148 -23.688
  130    HD1  TRP  17           HD       TRP  17  10.112  -7.392 -26.873
  131    HE1  TRP  17           1HE      TRP  17  12.399  -8.369 -26.208
  132    HE3  TRP  17           3HE      TRP  17   9.713  -6.949 -21.798
  133    HZ2  TRP  17           2HZ      TRP  17  13.832  -8.885 -23.834
  134    HZ3  TRP  17           3HZ      TRP  17  11.593  -7.709 -20.399
  135    HH2  TRP  17           HH       TRP  17  13.607  -8.655 -21.396
  136    H    ALA  18           H        ALA  18   6.309  -9.788 -25.115
  137    HA   ALA  18           HA       ALA  18   7.035 -10.619 -22.409
  138    HB1  ALA  18           3HB      ALA  18   4.188 -10.655 -23.421
  139    HB2  ALA  18           1HB      ALA  18   4.821  -9.593 -22.166
  140    HB3  ALA  18           2HB      ALA  18   4.745 -11.335 -21.892
  141    H    LEU  19           H        LEU  19   5.053 -11.623 -25.193
  142    HA   LEU  19           HA       LEU  19   6.079 -14.329 -25.026
  143    HB2  LEU  19           2HB      LEU  19   4.193 -13.037 -26.993
  144    HB3  LEU  19           1HB      LEU  19   4.579 -14.745 -26.943
  145    HG   LEU  19           HG       LEU  19   3.191 -13.212 -24.745
  146   HD11  LEU  19          1HD1      LEU  19   1.781 -13.457 -26.710
  147   HD12  LEU  19          2HD1      LEU  19   1.214 -14.509 -25.412
  148   HD13  LEU  19          3HD1      LEU  19   2.123 -15.184 -26.763
  149   HD21  LEU  19          3HD2      LEU  19   3.724 -16.165 -25.049
  150   HD22  LEU  19          1HD2      LEU  19   2.824 -15.392 -23.743
  151   HD23  LEU  19          2HD2      LEU  19   4.547 -15.081 -23.930
  152    H    SER  20           H        SER  20   7.368 -11.589 -26.093
  153    HA   SER  20           HA       SER  20   8.276 -12.103 -28.699
  154    HB2  SER  20           2HB      SER  20   9.644 -10.510 -26.514
  155    HB3  SER  20           1HB      SER  20   9.884 -10.327 -28.255
  156    HG   SER  20           HG       SER  20   7.711  -9.656 -28.419
  157    H    LEU  21           H        LEU  21   9.649 -12.748 -25.517
  158    HA   LEU  21           HA       LEU  21  11.275 -14.118 -24.758
  159    HB2  LEU  21           2HB      LEU  21  10.634 -15.678 -27.258
  160    HB3  LEU  21           1HB      LEU  21  11.506 -16.295 -25.868
  161    HG   LEU  21           HG       LEU  21   8.613 -15.404 -25.865
  162   HD11  LEU  21          1HD1      LEU  21   9.824 -18.158 -25.745
  163   HD12  LEU  21          2HD1      LEU  21   8.965 -17.467 -27.122
  164   HD13  LEU  21          3HD1      LEU  21   8.108 -17.777 -25.611
  165   HD21  LEU  21          3HD2      LEU  21   8.538 -16.388 -23.626
  166   HD22  LEU  21          1HD2      LEU  21   9.686 -15.049 -23.698
  167   HD23  LEU  21          2HD2      LEU  21  10.268 -16.714 -23.713
  168    H    ALA  22           H        ALA  22  12.126 -15.051 -28.026
  169    HA   ALA  22           HA       ALA  22  14.568 -13.416 -27.825
  170    HB1  ALA  22           3HB      ALA  22  15.863 -15.240 -28.797
  171    HB2  ALA  22           1HB      ALA  22  14.422 -16.259 -28.827
  172    HB3  ALA  22           2HB      ALA  22  15.106 -15.743 -27.286
  173    H    HIS  23           H        HIS  23  12.269 -15.078 -29.890
  174    HA   HIS  23           HA       HIS  23  12.454 -12.964 -31.811
  175    HB2  HIS  23           2HB      HIS  23  12.827 -14.508 -33.751
  176    HB3  HIS  23           1HB      HIS  23  14.228 -14.235 -32.731
  177    HD1  HIS  23           1HD      HIS  23  12.319 -16.895 -34.287
  178    HD2  HIS  23           2HD      HIS  23  14.704 -16.507 -30.893
  179    HE1  HIS  23           1HE      HIS  23  12.946 -19.233 -33.617
  180    HE2  HIS  23           2HE      HIS  23  14.453 -18.980 -31.613
  181    H    ALA  24           H        ALA  24  11.017 -15.901 -30.643
  182    HA   ALA  24           HA       ALA  24   8.834 -16.449 -30.344
  183    HB1  ALA  24           3HB      ALA  24   8.151 -13.868 -31.748
  184    HB2  ALA  24           1HB      ALA  24   8.364 -14.064 -30.010
  185    HB3  ALA  24           2HB      ALA  24   7.041 -14.890 -30.835
  186    H    GLN  25           H        GLN  25  10.090 -15.675 -33.413
  187    HA   GLN  25           HA       GLN  25   8.229 -17.572 -34.668
  188    HB2  GLN  25           2HB      GLN  25   7.916 -15.286 -35.500
  189    HB3  GLN  25           1HB      GLN  25   9.629 -15.183 -35.873
  190    HG2  GLN  25           2HG      GLN  25   9.308 -17.065 -37.483
  191    HG3  GLN  25           1HG      GLN  25   7.570 -16.936 -37.187
  192   HE21  GLN  25          1HE2      GLN  25  10.362 -15.434 -38.565
  193   HE22  GLN  25          2HE2      GLN  25   9.528 -14.241 -39.510
  Start of MODEL   14
    1    H1   GLU   1           1HT      GLU   1   5.068   7.072 -18.882
    2    H2   GLU   1           2HT      GLU   1   5.984   7.307 -17.470
    3    H3   GLU   1           3HT      GLU   1   5.609   5.735 -17.987
    4    HA   GLU   1           HA       GLU   1   6.961   5.932 -19.900
    5    HB2  GLU   1           2HB      GLU   1   6.546   8.318 -20.328
    6    HB3  GLU   1           1HB      GLU   1   7.511   8.740 -18.917
    7    HG2  GLU   1           2HG      GLU   1   8.711   9.024 -21.041
    8    HG3  GLU   1           1HG      GLU   1   9.494   7.878 -19.953
    9    H    PHE   2           H        PHE   2   8.701   4.770 -19.545
   10    HA   PHE   2           HA       PHE   2  10.358   5.347 -17.188
   11    HB2  PHE   2           2HB      PHE   2   8.888   3.277 -17.040
   12    HB3  PHE   2           1HB      PHE   2   9.840   2.611 -18.356
   13    HD1  PHE   2           2HD      PHE   2  10.049   3.827 -14.864
   14    HD2  PHE   2           1HD      PHE   2  11.901   1.574 -17.965
   15    HE1  PHE   2           2HE      PHE   2  11.704   2.975 -13.257
   16    HE2  PHE   2           1HE      PHE   2  13.555   0.716 -16.363
   17    HZ   PHE   2           HZ       PHE   2  13.460   1.420 -14.007
   18    H    CYS   3           H        CYS   3  10.130   4.980 -20.556
   19    HA   CYS   3           HA       CYS   3  12.969   4.288 -20.777
   20    HB2  CYS   3           2HB      CYS   3  11.272   2.700 -21.749
   21    HB3  CYS   3           1HB      CYS   3  10.858   3.960 -22.903
   22    H    LEU   4           H        LEU   4  11.136   6.909 -20.737
   23    HA   LEU   4           HA       LEU   4  11.336   9.058 -21.445
   24    HB2  LEU   4           2HB      LEU   4  14.037   8.112 -22.399
   25    HB3  LEU   4           1HB      LEU   4  13.537   9.791 -22.317
   26    HG   LEU   4           HG       LEU   4  13.788   7.937 -19.947
   27   HD11  LEU   4          1HD1      LEU   4  15.741   9.270 -19.365
   28   HD12  LEU   4          2HD1      LEU   4  15.544  10.230 -20.833
   29   HD13  LEU   4          3HD1      LEU   4  15.952   8.518 -20.946
   30   HD21  LEU   4          3HD2      LEU   4  13.441   9.943 -18.612
   31   HD22  LEU   4          1HD2      LEU   4  12.059   9.653 -19.668
   32   HD23  LEU   4          2HD2      LEU   4  13.234  10.904 -20.077
   33    H    ASN   5           H        ASN   5  10.251   6.981 -23.267
   34    HA   ASN   5           HA       ASN   5   9.588   8.367 -25.521
   35    HB2  ASN   5           2HB      ASN   5  11.881   8.479 -26.269
   36    HB3  ASN   5           1HB      ASN   5  12.110   6.758 -25.977
   37   HD21  ASN   5          1HD2      ASN   5  11.188   5.261 -27.407
   38   HD22  ASN   5          2HD2      ASN   5  10.676   5.715 -28.991
   39    H    CYS   6           H        CYS   6  10.751   5.188 -24.538
   40    HA   CYS   6           HA       CYS   6   9.393   3.741 -26.520
   41    HB2  CYS   6           2HB      CYS   6  10.214   2.652 -23.840
   42    HB3  CYS   6           1HB      CYS   6  10.074   1.779 -25.361
   43    H    VAL   7           H        VAL   7   8.192   5.260 -23.785
   44    HA   VAL   7           HA       VAL   7   5.831   3.539 -23.827
   45    HB   VAL   7           HB       VAL   7   6.923   5.345 -21.669
   46   HG11  VAL   7          1HG1      VAL   7   4.485   5.630 -21.774
   47   HG12  VAL   7          2HG1      VAL   7   4.960   4.746 -20.323
   48   HG13  VAL   7          3HG1      VAL   7   4.272   3.881 -21.699
   49   HG21  VAL   7          3HG2      VAL   7   7.926   3.144 -21.781
   50   HG22  VAL   7          1HG2      VAL   7   6.336   2.385 -21.752
   51   HG23  VAL   7          2HG2      VAL   7   6.912   3.281 -20.345
   52    H    SER   8           H        SER   8   6.893   6.911 -23.703
   53    HA   SER   8           HA       SER   8   4.313   8.018 -24.012
   54    HB2  SER   8           2HB      SER   8   6.978   9.290 -24.644
   55    HB3  SER   8           1HB      SER   8   5.462  10.133 -24.322
   56    HG   SER   8           HG       SER   8   7.081   8.642 -22.553
   57    H    HIS   9           H        HIS   9   6.812   7.121 -26.351
   58    HA   HIS   9           HA       HIS   9   5.067   8.137 -28.494
   59    HB2  HIS   9           2HB      HIS   9   8.050   7.646 -28.463
   60    HB3  HIS   9           1HB      HIS   9   7.142   8.005 -29.927
   61    HD1  HIS   9           1HD      HIS   9   9.402   9.739 -28.189
   62    HD2  HIS   9           2HD      HIS   9   5.370  10.506 -28.848
   63    HE1  HIS   9           1HE      HIS   9   9.113  12.212 -27.846
   64    HE2  HIS   9           2HE      HIS   9   6.677  12.668 -28.296
   65    H    THR  10           H        THR  10   5.766   5.305 -26.980
   66    HA   THR  10           HA       THR  10   5.349   3.798 -29.461
   67    HB   THR  10           HB       THR  10   7.237   3.005 -27.233
   68    HG1  THR  10           1HG      THR  10   7.835   3.706 -29.936
   69   HG21  THR  10          3HG2      THR  10   6.651   1.681 -29.887
   70   HG22  THR  10          1HG2      THR  10   6.182   1.066 -28.302
   71   HG23  THR  10          2HG2      THR  10   7.888   1.181 -28.735
   72    H    ALA  11           H        ALA  11   5.593   3.178 -25.973
   73    HA   ALA  11           HA       ALA  11   4.216   2.175 -24.467
   74    HB1  ALA  11           3HB      ALA  11   2.063   2.476 -26.552
   75    HB2  ALA  11           1HB      ALA  11   2.478   3.665 -25.316
   76    HB3  ALA  11           2HB      ALA  11   1.818   2.099 -24.847
   77    H    SER  12           H        SER  12   3.729   0.919 -27.745
   78    HA   SER  12           HA       SER  12   2.922  -1.672 -27.114
   79    HB2  SER  12           2HB      SER  12   2.886  -0.586 -29.348
   80    HB3  SER  12           1HB      SER  12   4.621  -0.813 -29.459
   81    HG   SER  12           HG       SER  12   3.821  -2.542 -30.464
   82    H    TYR  13           H        TYR  13   6.198  -0.588 -28.013
   83    HA   TYR  13           HA       TYR  13   7.480  -2.995 -27.271
   84    HB2  TYR  13           2HB      TYR  13   8.418  -1.339 -28.873
   85    HB3  TYR  13           1HB      TYR  13   8.675  -0.227 -27.535
   86    HD1  TYR  13           2HD      TYR  13   9.761  -3.377 -29.078
   87    HD2  TYR  13           1HD      TYR  13  10.522  -0.532 -26.017
   88    HE1  TYR  13           2HE      TYR  13  11.961  -4.407 -28.680
   89    HE2  TYR  13           1HE      TYR  13  12.720  -1.545 -25.608
   90    HH   TYR  13           HH       TYR  13  14.215  -3.624 -27.717
   91    H    LEU  14           H        LEU  14   6.842  -3.542 -25.279
   92    HA   LEU  14           HA       LEU  14   8.055  -2.683 -22.954
   93    HB2  LEU  14           2HB      LEU  14   6.791  -0.577 -23.269
   94    HB3  LEU  14           1HB      LEU  14   5.294  -1.490 -23.334
   95    HG   LEU  14           HG       LEU  14   5.720  -2.248 -20.997
   96   HD11  LEU  14          1HD1      LEU  14   7.389  -1.031 -19.672
   97   HD12  LEU  14          2HD1      LEU  14   7.967  -0.241 -21.140
   98   HD13  LEU  14          3HD1      LEU  14   8.129  -1.986 -20.956
   99   HD21  LEU  14          3HD2      LEU  14   5.082  -0.147 -19.948
  100   HD22  LEU  14          1HD2      LEU  14   4.237  -0.351 -21.482
  101   HD23  LEU  14          2HD2      LEU  14   5.614   0.746 -21.373
  102    H    ARG  15           H        ARG  15   5.059  -3.755 -24.489
  103    HA   ARG  15           HA       ARG  15   5.293  -6.290 -23.157
  104    HB2  ARG  15           2HB      ARG  15   4.191  -5.016 -21.378
  105    HB3  ARG  15           1HB      ARG  15   2.899  -4.571 -22.486
  106    HG2  ARG  15           2HG      ARG  15   2.203  -6.863 -22.680
  107    HG3  ARG  15           1HG      ARG  15   3.576  -7.397 -21.709
  108    HD2  ARG  15           2HD      ARG  15   2.692  -6.128 -19.802
  109    HD3  ARG  15           1HD      ARG  15   1.304  -5.643 -20.775
  110    HE   ARG  15           HE       ARG  15   0.826  -8.111 -20.953
  111   HH11  ARG  15          1HH1      ARG  15   2.477  -6.704 -18.180
  112   HH12  ARG  15          2HH1      ARG  15   2.080  -8.031 -17.115
  113   HH21  ARG  15          1HH2      ARG  15   0.348  -9.866 -19.564
  114   HH22  ARG  15          2HH2      ARG  15   0.859  -9.811 -17.896
  115    H    LEU  16           H        LEU  16   3.357  -4.159 -25.209
  116    HA   LEU  16           HA       LEU  16   1.759  -6.386 -26.122
  117    HB2  LEU  16           2HB      LEU  16   1.793  -3.477 -26.896
  118    HB3  LEU  16           1HB      LEU  16   0.735  -4.658 -27.638
  119    HG   LEU  16           HG       LEU  16  -0.186  -5.094 -25.304
  120   HD11  LEU  16          1HD1      LEU  16   0.040  -3.250 -23.698
  121   HD12  LEU  16          2HD1      LEU  16   1.254  -2.505 -24.740
  122   HD13  LEU  16          3HD1      LEU  16   1.575  -4.068 -23.990
  123   HD21  LEU  16          3HD2      LEU  16  -1.688  -3.185 -25.457
  124   HD22  LEU  16          1HD2      LEU  16  -1.369  -3.872 -27.050
  125   HD23  LEU  16          2HD2      LEU  16  -0.565  -2.382 -26.555
  126    H    TRP  17           H        TRP  17   4.781  -5.329 -26.905
  127    HA   TRP  17           HA       TRP  17   4.500  -5.698 -29.781
  128    HB2  TRP  17           2HB      TRP  17   5.925  -3.880 -28.668
  129    HB3  TRP  17           1HB      TRP  17   7.056  -5.165 -28.268
  130    HD1  TRP  17           HD       TRP  17   5.497  -3.481 -31.383
  131    HE1  TRP  17           1HE      TRP  17   7.172  -3.710 -33.327
  132    HE3  TRP  17           3HE      TRP  17   9.026  -6.360 -29.076
  133    HZ2  TRP  17           2HZ      TRP  17   9.658  -4.953 -33.815
  134    HZ3  TRP  17           3HZ      TRP  17  11.021  -7.028 -30.349
  135    HH2  TRP  17           HH       TRP  17  11.330  -6.337 -32.670
  136    H    ALA  18           H        ALA  18   5.608  -7.421 -26.987
  137    HA   ALA  18           HA       ALA  18   6.391  -9.665 -28.723
  138    HB1  ALA  18           3HB      ALA  18   8.172 -10.269 -27.169
  139    HB2  ALA  18           1HB      ALA  18   7.815  -8.850 -26.190
  140    HB3  ALA  18           2HB      ALA  18   8.433  -8.656 -27.832
  141    H    LEU  19           H        LEU  19   5.787 -11.691 -28.009
  142    HA   LEU  19           HA       LEU  19   4.597 -13.278 -26.913
  143    HB2  LEU  19           2HB      LEU  19   4.635 -11.345 -24.593
  144    HB3  LEU  19           1HB      LEU  19   4.041 -12.995 -24.517
  145    HG   LEU  19           HG       LEU  19   6.883 -12.211 -25.159
  146   HD11  LEU  19          1HD1      LEU  19   5.689 -13.349 -22.640
  147   HD12  LEU  19          2HD1      LEU  19   6.275 -11.700 -22.853
  148   HD13  LEU  19          3HD1      LEU  19   7.404 -13.052 -22.935
  149   HD21  LEU  19          3HD2      LEU  19   7.337 -14.607 -24.857
  150   HD22  LEU  19          1HD2      LEU  19   6.241 -14.308 -26.207
  151   HD23  LEU  19          2HD2      LEU  19   5.608 -14.904 -24.673
  152    H    SER  20           H        SER  20   3.494 -10.618 -28.126
  153    HA   SER  20           HA       SER  20   0.856 -10.347 -27.149
  154    HB2  SER  20           2HB      SER  20   1.859  -8.591 -28.532
  155    HB3  SER  20           1HB      SER  20   2.028  -9.716 -29.881
  156    HG   SER  20           HG       SER  20   0.120  -8.181 -29.781
  157    H    LEU  21           H        LEU  21   1.854 -11.728 -30.279
  158    HA   LEU  21           HA       LEU  21   0.605 -14.235 -29.756
  159    HB2  LEU  21           2HB      LEU  21  -1.402 -12.882 -30.241
  160    HB3  LEU  21           1HB      LEU  21  -0.718 -12.428 -31.789
  161    HG   LEU  21           HG       LEU  21  -0.765 -14.815 -32.475
  162   HD11  LEU  21          1HD1      LEU  21  -2.089 -16.400 -31.172
  163   HD12  LEU  21          2HD1      LEU  21  -2.289 -15.196 -29.898
  164   HD13  LEU  21          3HD1      LEU  21  -0.688 -15.837 -30.262
  165   HD21  LEU  21          3HD2      LEU  21  -2.549 -13.367 -33.171
  166   HD22  LEU  21          1HD2      LEU  21  -3.377 -13.581 -31.625
  167   HD23  LEU  21          2HD2      LEU  21  -3.219 -14.939 -32.736
  168    H    ALA  22           H        ALA  22   0.895 -12.409 -32.777
  169    HA   ALA  22           HA       ALA  22   3.381 -13.561 -33.542
  170    HB1  ALA  22           3HB      ALA  22   0.910 -14.616 -34.925
  171    HB2  ALA  22           1HB      ALA  22   1.927 -15.530 -33.812
  172    HB3  ALA  22           2HB      ALA  22   2.584 -14.979 -35.352
  173    H    HIS  23           H        HIS  23   1.974 -10.968 -33.389
  174    HA   HIS  23           HA       HIS  23   2.221 -10.193 -36.184
  175    HB2  HIS  23           2HB      HIS  23   0.181  -8.880 -36.179
  176    HB3  HIS  23           1HB      HIS  23  -0.188 -10.562 -35.836
  177    HD1  HIS  23           1HD      HIS  23  -0.939  -7.233 -34.699
  178    HD2  HIS  23           2HD      HIS  23  -0.594 -10.979 -32.908
  179    HE1  HIS  23           1HE      HIS  23  -2.155  -7.061 -32.506
  180    HE2  HIS  23           2HE      HIS  23  -2.121  -9.391 -31.556
  181    H    ALA  24           H        ALA  24   3.401  -8.432 -36.450
  182    HA   ALA  24           HA       ALA  24   4.097  -6.780 -34.174
  183    HB1  ALA  24           3HB      ALA  24   4.816  -6.467 -37.094
  184    HB2  ALA  24           1HB      ALA  24   5.801  -7.277 -35.879
  185    HB3  ALA  24           2HB      ALA  24   5.500  -5.542 -35.758
  186    H    GLN  25           H        GLN  25   2.026  -6.714 -36.971
  187    HA   GLN  25           HA       GLN  25   0.844  -4.216 -35.998
  188    HB2  GLN  25           2HB      GLN  25   2.033  -3.930 -38.140
  189    HB3  GLN  25           1HB      GLN  25   1.072  -5.227 -38.836
  190    HG2  GLN  25           2HG      GLN  25  -0.928  -3.910 -38.657
  191    HG3  GLN  25           1HG      GLN  25  -0.062  -2.651 -37.770
  192   HE21  GLN  25          1HE2      GLN  25  -0.618  -4.114 -40.869
  193   HE22  GLN  25          2HE2      GLN  25   0.162  -2.883 -41.817
  Start of MODEL   15
    1    H1   GLU   1           1HT      GLU   1  10.440   6.878 -18.586
    2    H2   GLU   1           2HT      GLU   1  12.089   7.097 -18.236
    3    H3   GLU   1           3HT      GLU   1  11.402   5.546 -18.172
    4    HA   GLU   1           HA       GLU   1  10.993   5.565 -20.526
    5    HB2  GLU   1           2HB      GLU   1  11.579   8.381 -20.180
    6    HB3  GLU   1           1HB      GLU   1  12.590   7.678 -21.439
    7    HG2  GLU   1           2HG      GLU   1   9.602   7.451 -21.321
    8    HG3  GLU   1           1HG      GLU   1  10.493   8.621 -22.295
    9    H    PHE   2           H        PHE   2  12.428   4.432 -21.706
   10    HA   PHE   2           HA       PHE   2  15.198   4.366 -20.723
   11    HB2  PHE   2           2HB      PHE   2  13.821   2.272 -20.457
   12    HB3  PHE   2           1HB      PHE   2  13.727   2.185 -22.209
   13    HD1  PHE   2           2HD      PHE   2  16.106   2.164 -19.365
   14    HD2  PHE   2           1HD      PHE   2  15.427   1.202 -23.455
   15    HE1  PHE   2           2HE      PHE   2  18.240   0.943 -19.427
   16    HE2  PHE   2           1HE      PHE   2  17.561  -0.023 -23.523
   17    HZ   PHE   2           HZ       PHE   2  18.943  -0.197 -21.464
   18    H    CYS   3           H        CYS   3  13.103   4.880 -23.441
   19    HA   CYS   3           HA       CYS   3  15.447   4.977 -25.201
   20    HB2  CYS   3           2HB      CYS   3  12.612   4.635 -26.141
   21    HB3  CYS   3           1HB      CYS   3  14.088   4.415 -27.072
   22    H    LEU   4           H        LEU   4  13.235   6.828 -23.615
   23    HA   LEU   4           HA       LEU   4  12.592   9.005 -23.696
   24    HB2  LEU   4           2HB      LEU   4  15.025   9.338 -24.317
   25    HB3  LEU   4           1HB      LEU   4  14.519   9.336 -25.993
   26    HG   LEU   4           HG       LEU   4  13.112  11.317 -25.566
   27   HD11  LEU   4          1HD1      LEU   4  13.367  12.545 -23.467
   28   HD12  LEU   4          2HD1      LEU   4  14.371  11.246 -22.826
   29   HD13  LEU   4          3HD1      LEU   4  12.672  10.946 -23.192
   30   HD21  LEU   4          3HD2      LEU   4  16.013  11.580 -24.787
   31   HD22  LEU   4          1HD2      LEU   4  14.968  12.901 -25.307
   32   HD23  LEU   4          2HD2      LEU   4  15.355  11.595 -26.425
   33    H    ASN   5           H        ASN   5  11.211   6.968 -25.104
   34    HA   ASN   5           HA       ASN   5   9.343   8.261 -26.610
   35    HB2  ASN   5           2HB      ASN   5  11.021   8.755 -28.303
   36    HB3  ASN   5           1HB      ASN   5  11.455   7.049 -28.402
   37   HD21  ASN   5          1HD2      ASN   5   9.922   5.565 -29.270
   38   HD22  ASN   5          2HD2      ASN   5   8.659   6.118 -30.327
   39    H    CYS   6           H        CYS   6  11.237   5.229 -26.592
   40    HA   CYS   6           HA       CYS   6   9.219   3.735 -27.924
   41    HB2  CYS   6           2HB      CYS   6  10.596   1.864 -27.703
   42    HB3  CYS   6           1HB      CYS   6  11.746   3.195 -27.705
   43    H    VAL   7           H        VAL   7   9.611   4.759 -24.745
   44    HA   VAL   7           HA       VAL   7   7.926   2.627 -23.701
   45    HB   VAL   7           HB       VAL   7   9.832   4.586 -22.437
   46   HG11  VAL   7          1HG1      VAL   7   7.781   2.927 -20.941
   47   HG12  VAL   7          2HG1      VAL   7   7.777   4.686 -21.076
   48   HG13  VAL   7          3HG1      VAL   7   9.080   3.869 -20.209
   49   HG21  VAL   7          3HG2      VAL   7  10.732   2.468 -23.180
   50   HG22  VAL   7          1HG2      VAL   7   9.502   1.584 -22.276
   51   HG23  VAL   7          2HG2      VAL   7  10.726   2.517 -21.416
   52    H    SER   8           H        SER   8   8.213   6.153 -23.744
   53    HA   SER   8           HA       SER   8   5.662   6.523 -22.514
   54    HB2  SER   8           2HB      SER   8   7.653   8.421 -23.725
   55    HB3  SER   8           1HB      SER   8   6.111   8.963 -23.062
   56    HG   SER   8           HG       SER   8   6.715   8.067 -21.064
   57    H    HIS   9           H        HIS   9   6.864   6.743 -25.840
   58    HA   HIS   9           HA       HIS   9   4.200   7.683 -26.657
   59    HB2  HIS   9           2HB      HIS   9   6.905   8.018 -27.943
   60    HB3  HIS   9           1HB      HIS   9   5.401   8.388 -28.780
   61    HD1  HIS   9           1HD      HIS   9   7.759  10.433 -27.807
   62    HD2  HIS   9           2HD      HIS   9   3.963   9.909 -26.176
   63    HE1  HIS   9           1HE      HIS   9   7.232  12.570 -26.600
   64    HE2  HIS   9           2HE      HIS   9   5.038  12.144 -25.436
   65    H    THR  10           H        THR  10   6.418   5.050 -26.987
   66    HA   THR  10           HA       THR  10   4.975   3.990 -29.280
   67    HB   THR  10           HB       THR  10   7.214   2.706 -27.703
   68    HG1  THR  10           1HG      THR  10   7.208   4.487 -29.914
   69   HG21  THR  10          3HG2      THR  10   6.100   2.109 -30.449
   70   HG22  THR  10          1HG2      THR  10   5.881   1.120 -29.006
   71   HG23  THR  10          2HG2      THR  10   7.488   1.312 -29.705
   72    H    ALA  11           H        ALA  11   5.688   3.094 -25.935
   73    HA   ALA  11           HA       ALA  11   4.540   1.963 -24.341
   74    HB1  ALA  11           3HB      ALA  11   2.676   3.418 -24.936
   75    HB2  ALA  11           1HB      ALA  11   2.120   1.813 -24.452
   76    HB3  ALA  11           2HB      ALA  11   2.159   2.257 -26.158
   77    H    SER  12           H        SER  12   3.690   0.734 -27.568
   78    HA   SER  12           HA       SER  12   2.922  -1.847 -26.871
   79    HB2  SER  12           2HB      SER  12   2.808  -0.603 -29.127
   80    HB3  SER  12           1HB      SER  12   4.452  -1.179 -29.375
   81    HG   SER  12           HG       SER  12   3.747  -3.263 -29.387
   82    H    TYR  13           H        TYR  13   6.070  -0.481 -27.512
   83    HA   TYR  13           HA       TYR  13   7.545  -2.798 -27.891
   84    HB2  TYR  13           2HB      TYR  13   8.296  -0.571 -28.530
   85    HB3  TYR  13           1HB      TYR  13   8.439  -0.114 -26.841
   86    HD1  TYR  13           2HD      TYR  13   9.729  -2.533 -29.349
   87    HD2  TYR  13           1HD      TYR  13  10.474  -0.438 -25.724
   88    HE1  TYR  13           2HE      TYR  13  12.043  -3.356 -29.355
   89    HE2  TYR  13           1HE      TYR  13  12.795  -1.249 -25.724
   90    HH   TYR  13           HH       TYR  13  14.105  -3.087 -26.634
   91    H    LEU  14           H        LEU  14   6.371  -1.472 -24.889
   92    HA   LEU  14           HA       LEU  14   8.115  -3.378 -23.475
   93    HB2  LEU  14           2HB      LEU  14   7.810  -2.052 -21.441
   94    HB3  LEU  14           1HB      LEU  14   8.582  -1.134 -22.716
   95    HG   LEU  14           HG       LEU  14   5.625  -0.877 -22.270
   96   HD11  LEU  14          1HD1      LEU  14   7.773   0.614 -20.768
   97   HD12  LEU  14          2HD1      LEU  14   6.667  -0.571 -20.072
   98   HD13  LEU  14          3HD1      LEU  14   6.042   0.949 -20.713
   99   HD21  LEU  14          3HD2      LEU  14   6.606   0.149 -24.257
  100   HD22  LEU  14          1HD2      LEU  14   7.760   1.017 -23.249
  101   HD23  LEU  14          2HD2      LEU  14   6.039   1.377 -23.124
  102    H    ARG  15           H        ARG  15   5.287  -3.558 -24.749
  103    HA   ARG  15           HA       ARG  15   4.202  -5.082 -22.509
  104    HB2  ARG  15           2HB      ARG  15   3.079  -2.908 -22.404
  105    HB3  ARG  15           1HB      ARG  15   2.578  -3.082 -24.081
  106    HG2  ARG  15           2HG      ARG  15   1.181  -4.962 -23.523
  107    HG3  ARG  15           1HG      ARG  15   1.764  -4.940 -21.857
  108    HD2  ARG  15           2HD      ARG  15   0.243  -2.708 -23.200
  109    HD3  ARG  15           1HD      ARG  15  -0.456  -3.895 -22.102
  110    HE   ARG  15           HE       ARG  15   1.369  -2.953 -20.501
  111   HH11  ARG  15          1HH1      ARG  15  -0.527  -1.127 -22.806
  112   HH12  ARG  15          2HH1      ARG  15  -0.525   0.334 -21.875
  113   HH21  ARG  15          1HH2      ARG  15   1.360  -1.037 -19.230
  114   HH22  ARG  15          2HH2      ARG  15   0.523   0.380 -19.819
  115    H    LEU  16           H        LEU  16   3.041  -4.156 -25.749
  116    HA   LEU  16           HA       LEU  16   1.995  -6.749 -26.260
  117    HB2  LEU  16           2HB      LEU  16   2.488  -4.390 -28.071
  118    HB3  LEU  16           1HB      LEU  16   1.763  -5.880 -28.633
  119    HG   LEU  16           HG       LEU  16  -0.037  -5.493 -26.852
  120   HD11  LEU  16          1HD1      LEU  16   1.099  -2.706 -26.934
  121   HD12  LEU  16          2HD1      LEU  16   1.183  -3.806 -25.561
  122   HD13  LEU  16          3HD1      LEU  16  -0.382  -3.210 -26.118
  123   HD21  LEU  16          3HD2      LEU  16  -1.293  -4.001 -28.306
  124   HD22  LEU  16          1HD2      LEU  16  -0.408  -5.198 -29.251
  125   HD23  LEU  16          2HD2      LEU  16   0.191  -3.543 -29.141
  126    H    TRP  17           H        TRP  17   5.025  -5.209 -26.789
  127    HA   TRP  17           HA       TRP  17   6.162  -6.782 -28.784
  128    HB2  TRP  17           2HB      TRP  17   7.122  -4.693 -27.801
  129    HB3  TRP  17           1HB      TRP  17   7.561  -5.617 -26.372
  130    HD1  TRP  17           HD       TRP  17   8.407  -5.412 -30.125
  131    HE1  TRP  17           1HE      TRP  17  10.807  -6.280 -30.474
  132    HE3  TRP  17           3HE      TRP  17   9.390  -6.991 -25.360
  133    HZ2  TRP  17           2HZ      TRP  17  12.837  -7.477 -28.925
  134    HZ3  TRP  17           3HZ      TRP  17  11.595  -7.991 -24.882
  135    HH2  TRP  17           HH       TRP  17  13.278  -8.224 -26.634
  136    H    ALA  18           H        ALA  18   5.618  -7.439 -25.405
  137    HA   ALA  18           HA       ALA  18   7.439  -9.669 -25.326
  138    HB1  ALA  18           3HB      ALA  18   5.357  -8.830 -23.306
  139    HB2  ALA  18           1HB      ALA  18   7.044  -8.314 -23.319
  140    HB3  ALA  18           2HB      ALA  18   6.644 -10.010 -23.056
  141    H    LEU  19           H        LEU  19   4.130  -9.102 -26.054
  142    HA   LEU  19           HA       LEU  19   3.515 -11.972 -25.952
  143    HB2  LEU  19           2HB      LEU  19   1.682  -9.589 -26.252
  144    HB3  LEU  19           1HB      LEU  19   1.163 -11.263 -26.197
  145    HG   LEU  19           HG       LEU  19   2.541  -9.799 -23.943
  146   HD11  LEU  19          1HD1      LEU  19  -0.332 -10.669 -24.212
  147   HD12  LEU  19          2HD1      LEU  19   0.248  -9.014 -24.393
  148   HD13  LEU  19          3HD1      LEU  19   0.392  -9.832 -22.838
  149   HD21  LEU  19          3HD2      LEU  19   1.952 -11.765 -22.611
  150   HD22  LEU  19          1HD2      LEU  19   3.037 -12.185 -23.936
  151   HD23  LEU  19          2HD2      LEU  19   1.317 -12.553 -24.056
  152    H    SER  20           H        SER  20   4.986 -10.162 -27.999
  153    HA   SER  20           HA       SER  20   3.442 -10.215 -30.367
  154    HB2  SER  20           2HB      SER  20   5.363  -8.698 -30.038
  155    HB3  SER  20           1HB      SER  20   6.450 -10.081 -30.048
  156    HG   SER  20           HG       SER  20   4.705  -9.662 -32.225
  157    H    LEU  21           H        LEU  21   3.775 -11.571 -32.240
  158    HA   LEU  21           HA       LEU  21   3.686 -14.306 -31.442
  159    HB2  LEU  21           2HB      LEU  21   2.224 -13.315 -33.166
  160    HB3  LEU  21           1HB      LEU  21   3.616 -13.120 -34.214
  161    HG   LEU  21           HG       LEU  21   3.906 -15.575 -34.251
  162   HD11  LEU  21          1HD1      LEU  21   2.110 -16.999 -33.409
  163   HD12  LEU  21          2HD1      LEU  21   1.322 -15.586 -32.705
  164   HD13  LEU  21          3HD1      LEU  21   2.899 -16.110 -32.110
  165   HD21  LEU  21          3HD2      LEU  21   2.643 -14.504 -36.030
  166   HD22  LEU  21          1HD2      LEU  21   1.171 -14.599 -35.063
  167   HD23  LEU  21          2HD2      LEU  21   1.944 -16.075 -35.637
  168    H    ALA  22           H        ALA  22   6.363 -12.515 -31.846
  169    HA   ALA  22           HA       ALA  22   7.895 -14.193 -33.604
  170    HB1  ALA  22           3HB      ALA  22   9.798 -12.817 -32.955
  171    HB2  ALA  22           1HB      ALA  22   8.848 -12.082 -31.665
  172    HB3  ALA  22           2HB      ALA  22   8.409 -11.801 -33.349
  173    H    HIS  23           H        HIS  23   6.816 -14.407 -30.458
  174    HA   HIS  23           HA       HIS  23   8.918 -15.849 -29.234
  175    HB2  HIS  23           2HB      HIS  23   7.314 -16.538 -27.563
  176    HB3  HIS  23           1HB      HIS  23   7.019 -14.854 -27.969
  177    HD1  HIS  23           1HD      HIS  23   4.757 -14.273 -29.032
  178    HD2  HIS  23           2HD      HIS  23   5.274 -18.342 -28.349
  179    HE1  HIS  23           1HE      HIS  23   2.492 -15.312 -29.360
  180    HE2  HIS  23           2HE      HIS  23   2.778 -17.717 -28.682
  181    H    ALA  24           H        ALA  24   6.549 -16.743 -31.588
  182    HA   ALA  24           HA       ALA  24   7.681 -19.216 -32.203
  183    HB1  ALA  24           3HB      ALA  24   5.980 -20.774 -31.371
  184    HB2  ALA  24           1HB      ALA  24   5.192 -19.457 -30.506
  185    HB3  ALA  24           2HB      ALA  24   6.818 -19.968 -30.046
  186    H    GLN  25           H        GLN  25   7.282 -17.888 -34.128
  187    HA   GLN  25           HA       GLN  25   4.551 -17.863 -35.110
  188    HB2  GLN  25           2HB      GLN  25   5.974 -15.925 -35.548
  189    HB3  GLN  25           1HB      GLN  25   7.139 -16.946 -36.382
  190    HG2  GLN  25           2HG      GLN  25   5.478 -17.436 -38.103
  191    HG3  GLN  25           1HG      GLN  25   4.298 -16.441 -37.250
  192   HE21  GLN  25          1HE2      GLN  25   7.160 -16.446 -39.223
  193   HE22  GLN  25          2HE2      GLN  25   7.152 -14.748 -39.587
  Start of MODEL   16
    1    H1   GLU   1           1HT      GLU   1  13.484  -0.343 -19.964
    2    H2   GLU   1           2HT      GLU   1  12.689   1.069 -19.443
    3    H3   GLU   1           3HT      GLU   1  14.361   0.903 -19.219
    4    HA   GLU   1           HA       GLU   1  12.966   1.072 -21.820
    5    HB2  GLU   1           2HB      GLU   1  14.382   3.079 -20.127
    6    HB3  GLU   1           1HB      GLU   1  14.547   3.193 -21.878
    7    HG2  GLU   1           2HG      GLU   1  12.074   3.403 -20.210
    8    HG3  GLU   1           1HG      GLU   1  12.734   4.557 -21.377
    9    H    PHE   2           H        PHE   2  13.942   0.018 -23.303
   10    HA   PHE   2           HA       PHE   2  16.735  -0.671 -23.116
   11    HB2  PHE   2           2HB      PHE   2  15.000  -2.180 -24.149
   12    HB3  PHE   2           1HB      PHE   2  14.865  -1.023 -25.469
   13    HD1  PHE   2           2HD      PHE   2  17.216  -3.305 -23.748
   14    HD2  PHE   2           1HD      PHE   2  16.381  -1.071 -27.265
   15    HE1  PHE   2           2HE      PHE   2  19.095  -4.407 -24.891
   16    HE2  PHE   2           1HE      PHE   2  18.262  -2.169 -28.418
   17    HZ   PHE   2           HZ       PHE   2  19.622  -3.841 -27.227
   18    H    CYS   3           H        CYS   3  14.688   1.580 -24.939
   19    HA   CYS   3           HA       CYS   3  17.139   2.868 -25.900
   20    HB2  CYS   3           2HB      CYS   3  14.540   3.077 -27.368
   21    HB3  CYS   3           1HB      CYS   3  16.166   3.367 -27.972
   22    H    LEU   4           H        LEU   4  15.017   3.320 -23.614
   23    HA   LEU   4           HA       LEU   4  13.971   5.059 -22.563
   24    HB2  LEU   4           2HB      LEU   4  16.020   6.663 -24.108
   25    HB3  LEU   4           1HB      LEU   4  15.047   7.284 -22.788
   26    HG   LEU   4           HG       LEU   4  17.032   5.026 -22.527
   27   HD11  LEU   4          1HD1      LEU   4  18.170   7.120 -23.024
   28   HD12  LEU   4          2HD1      LEU   4  18.430   6.646 -21.345
   29   HD13  LEU   4          3HD1      LEU   4  17.277   7.924 -21.734
   30   HD21  LEU   4          3HD2      LEU   4  15.201   4.936 -20.913
   31   HD22  LEU   4          1HD2      LEU   4  15.533   6.604 -20.445
   32   HD23  LEU   4          2HD2      LEU   4  16.730   5.346 -20.138
   33    H    ASN   5           H        ASN   5  12.844   4.171 -25.075
   34    HA   ASN   5           HA       ASN   5  11.106   6.193 -25.863
   35    HB2  ASN   5           2HB      ASN   5  13.011   7.361 -26.802
   36    HB3  ASN   5           1HB      ASN   5  13.546   5.904 -27.637
   37   HD21  ASN   5          1HD2      ASN   5  12.214   5.100 -29.365
   38   HD22  ASN   5          2HD2      ASN   5  11.203   6.182 -30.272
   39    H    CYS   6           H        CYS   6  13.059   3.616 -27.379
   40    HA   CYS   6           HA       CYS   6  11.026   2.888 -29.224
   41    HB2  CYS   6           2HB      CYS   6  12.474   1.176 -29.951
   42    HB3  CYS   6           1HB      CYS   6  13.565   2.440 -29.393
   43    H    VAL   7           H        VAL   7  11.132   2.520 -25.996
   44    HA   VAL   7           HA       VAL   7   9.583   0.056 -26.072
   45    HB   VAL   7           HB       VAL   7  11.481   1.029 -23.925
   46   HG11  VAL   7          1HG1      VAL   7  10.889  -0.969 -22.659
   47   HG12  VAL   7          2HG1      VAL   7   9.691  -1.415 -23.875
   48   HG13  VAL   7          3HG1      VAL   7   9.461   0.039 -22.900
   49   HG21  VAL   7          3HG2      VAL   7  12.543  -0.060 -25.818
   50   HG22  VAL   7          1HG2      VAL   7  11.472  -1.452 -25.640
   51   HG23  VAL   7          2HG2      VAL   7  12.641  -1.071 -24.376
   52    H    SER   8           H        SER   8  10.045   2.913 -23.898
   53    HA   SER   8           HA       SER   8   7.311   2.669 -23.034
   54    HB2  SER   8           2HB      SER   8   9.508   4.570 -22.260
   55    HB3  SER   8           1HB      SER   8   7.864   4.725 -21.646
   56    HG   SER   8           HG       SER   8   9.657   2.545 -21.311
   57    H    HIS   9           H        HIS   9   9.135   5.021 -24.995
   58    HA   HIS   9           HA       HIS   9   6.959   6.842 -25.208
   59    HB2  HIS   9           2HB      HIS   9   9.335   7.471 -25.594
   60    HB3  HIS   9           1HB      HIS   9   9.321   6.526 -27.080
   61    HD1  HIS   9           1HD      HIS   9   9.737   8.554 -28.590
   62    HD2  HIS   9           2HD      HIS   9   6.342   8.928 -26.221
   63    HE1  HIS   9           1HE      HIS   9   8.499  10.546 -29.498
   64    HE2  HIS   9           2HE      HIS   9   6.343  10.607 -28.192
   65    H    THR  10           H        THR  10   7.783   3.920 -26.755
   66    HA   THR  10           HA       THR  10   6.070   4.212 -29.034
   67    HB   THR  10           HB       THR  10   7.307   1.763 -27.762
   68    HG1  THR  10           1HG      THR  10   8.371   3.750 -29.178
   69   HG21  THR  10          3HG2      THR  10   6.855   0.644 -29.889
   70   HG22  THR  10          1HG2      THR  10   6.074   2.105 -30.501
   71   HG23  THR  10          2HG2      THR  10   5.351   1.211 -29.164
   72    H    ALA  11           H        ALA  11   5.896   3.011 -25.781
   73    HA   ALA  11           HA       ALA  11   4.191   2.473 -24.394
   74    HB1  ALA  11           3HB      ALA  11   2.465   3.947 -26.364
   75    HB2  ALA  11           1HB      ALA  11   3.406   4.701 -25.078
   76    HB3  ALA  11           2HB      ALA  11   2.081   3.606 -24.677
   77    H    SER  12           H        SER  12   4.740   0.785 -26.853
   78    HA   SER  12           HA       SER  12   2.373  -0.911 -26.529
   79    HB2  SER  12           2HB      SER  12   3.776  -0.483 -29.170
   80    HB3  SER  12           1HB      SER  12   2.301  -1.381 -28.868
   81    HG   SER  12           HG       SER  12   2.556   1.184 -29.474
   82    H    TYR  13           H        TYR  13   5.678  -0.698 -27.740
   83    HA   TYR  13           HA       TYR  13   6.195  -3.402 -28.064
   84    HB2  TYR  13           2HB      TYR  13   7.597  -1.619 -28.990
   85    HB3  TYR  13           1HB      TYR  13   8.137  -1.200 -27.369
   86    HD1  TYR  13           2HD      TYR  13   8.097  -4.037 -29.792
   87    HD2  TYR  13           1HD      TYR  13  10.038  -2.194 -26.486
   88    HE1  TYR  13           2HE      TYR  13   9.944  -5.650 -29.980
   89    HE2  TYR  13           1HE      TYR  13  11.888  -3.796 -26.665
   90    HH   TYR  13           HH       TYR  13  12.284  -6.052 -27.549
   91    H    LEU  14           H        LEU  14   6.501  -1.420 -25.146
   92    HA   LEU  14           HA       LEU  14   8.047  -3.255 -23.661
   93    HB2  LEU  14           2HB      LEU  14   7.604  -1.945 -21.753
   94    HB3  LEU  14           1HB      LEU  14   7.727  -0.833 -23.096
   95    HG   LEU  14           HG       LEU  14   5.099  -1.771 -21.949
   96   HD11  LEU  14          1HD1      LEU  14   6.301  -0.587 -20.225
   97   HD12  LEU  14          2HD1      LEU  14   5.015   0.437 -20.863
   98   HD13  LEU  14          3HD1      LEU  14   6.685   0.719 -21.347
   99   HD21  LEU  14          3HD2      LEU  14   5.804   0.522 -23.777
  100   HD22  LEU  14          1HD2      LEU  14   4.198   0.173 -23.136
  101   HD23  LEU  14          2HD2      LEU  14   4.971  -0.959 -24.246
  102    H    ARG  15           H        ARG  15   4.747  -3.241 -24.517
  103    HA   ARG  15           HA       ARG  15   4.102  -5.195 -22.404
  104    HB2  ARG  15           2HB      ARG  15   2.827  -3.107 -22.238
  105    HB3  ARG  15           1HB      ARG  15   2.282  -3.292 -23.898
  106    HG2  ARG  15           2HG      ARG  15   1.004  -5.249 -23.295
  107    HG3  ARG  15           1HG      ARG  15   1.622  -5.178 -21.642
  108    HD2  ARG  15           2HD      ARG  15  -0.662  -4.229 -21.890
  109    HD3  ARG  15           1HD      ARG  15   0.521  -3.083 -21.256
  110    HE   ARG  15           HE       ARG  15  -0.072  -3.063 -24.126
  111   HH11  ARG  15          1HH1      ARG  15  -0.337  -1.553 -20.981
  112   HH12  ARG  15          2HH1      ARG  15  -0.782   0.010 -21.625
  113   HH21  ARG  15          1HH2      ARG  15  -0.656  -1.023 -24.976
  114   HH22  ARG  15          2HH2      ARG  15  -0.967   0.299 -23.902
  115    H    LEU  16           H        LEU  16   4.802  -4.884 -25.609
  116    HA   LEU  16           HA       LEU  16   4.555  -6.143 -27.474
  117    HB2  LEU  16           2HB      LEU  16   3.798  -8.178 -25.393
  118    HB3  LEU  16           1HB      LEU  16   3.834  -8.574 -27.098
  119    HG   LEU  16           HG       LEU  16   6.274  -7.799 -27.062
  120   HD11  LEU  16          1HD1      LEU  16   7.418  -7.876 -24.935
  121   HD12  LEU  16          2HD1      LEU  16   5.902  -8.204 -24.096
  122   HD13  LEU  16          3HD1      LEU  16   6.153  -6.645 -24.883
  123   HD21  LEU  16          3HD2      LEU  16   5.462 -10.256 -25.510
  124   HD22  LEU  16          1HD2      LEU  16   7.032  -9.984 -26.267
  125   HD23  LEU  16          2HD2      LEU  16   5.584 -10.129 -27.265
  126    H    TRP  17           H        TRP  17   2.329  -4.517 -26.491
  127    HA   TRP  17           HA       TRP  17   0.003  -6.047 -27.422
  128    HB2  TRP  17           2HB      TRP  17  -0.092  -5.060 -25.127
  129    HB3  TRP  17           1HB      TRP  17   0.057  -3.461 -25.841
  130    HD1  TRP  17           HD       TRP  17  -2.087  -2.500 -27.151
  131    HE1  TRP  17           1HE      TRP  17  -4.590  -3.112 -27.018
  132    HE3  TRP  17           3HE      TRP  17  -1.684  -7.017 -24.789
  133    HZ2  TRP  17           2HZ      TRP  17  -6.168  -5.240 -26.039
  134    HZ3  TRP  17           3HZ      TRP  17  -3.736  -8.277 -24.293
  135    HH2  TRP  17           HH       TRP  17  -5.936  -7.402 -24.908
  136    H    ALA  18           H        ALA  18  -0.078  -5.788 -29.567
  137    HA   ALA  18           HA       ALA  18  -0.501  -3.061 -30.549
  138    HB1  ALA  18           3HB      ALA  18   1.212  -5.110 -31.962
  139    HB2  ALA  18           1HB      ALA  18   1.797  -3.655 -31.153
  140    HB3  ALA  18           2HB      ALA  18   0.772  -3.520 -32.583
  141    H    LEU  19           H        LEU  19  -2.709  -3.508 -30.512
  142    HA   LEU  19           HA       LEU  19  -4.721  -4.192 -31.327
  143    HB2  LEU  19           2HB      LEU  19  -3.679  -3.461 -33.478
  144    HB3  LEU  19           1HB      LEU  19  -3.162  -5.118 -33.747
  145    HG   LEU  19           HG       LEU  19  -5.543  -5.814 -33.771
  146   HD11  LEU  19          1HD1      LEU  19  -6.121  -2.867 -33.675
  147   HD12  LEU  19          2HD1      LEU  19  -6.398  -3.997 -32.352
  148   HD13  LEU  19          3HD1      LEU  19  -7.301  -4.163 -33.861
  149   HD21  LEU  19          3HD2      LEU  19  -6.087  -4.874 -35.942
  150   HD22  LEU  19          1HD2      LEU  19  -4.374  -5.289 -35.857
  151   HD23  LEU  19          2HD2      LEU  19  -4.883  -3.606 -35.712
  152    H    SER  20           H        SER  20  -3.078  -5.983 -29.749
  153    HA   SER  20           HA       SER  20  -3.531  -8.633 -30.819
  154    HB2  SER  20           2HB      SER  20  -1.430  -7.958 -29.573
  155    HB3  SER  20           1HB      SER  20  -2.415  -7.870 -28.115
  156    HG   SER  20           HG       SER  20  -1.353 -10.039 -29.366
  157    H    LEU  21           H        LEU  21  -4.706 -10.249 -29.629
  158    HA   LEU  21           HA       LEU  21  -6.959  -9.116 -28.128
  159    HB2  LEU  21           2HB      LEU  21  -6.635 -11.823 -29.446
  160    HB3  LEU  21           1HB      LEU  21  -8.061 -11.286 -28.577
  161    HG   LEU  21           HG       LEU  21  -6.996 -10.074 -31.135
  162   HD11  LEU  21          1HD1      LEU  21  -9.436 -11.758 -30.583
  163   HD12  LEU  21          2HD1      LEU  21  -8.006 -12.261 -31.483
  164   HD13  LEU  21          3HD1      LEU  21  -9.047 -10.987 -32.118
  165   HD21  LEU  21          3HD2      LEU  21  -9.480  -9.431 -29.552
  166   HD22  LEU  21          1HD2      LEU  21  -9.060  -8.762 -31.130
  167   HD23  LEU  21          2HD2      LEU  21  -8.064  -8.394 -29.721
  168    H    ALA  22           H        ALA  22  -7.617 -11.732 -26.961
  169    HA   ALA  22           HA       ALA  22  -5.829 -11.566 -24.693
  170    HB1  ALA  22           3HB      ALA  22  -7.360 -13.140 -23.623
  171    HB2  ALA  22           1HB      ALA  22  -8.229 -13.340 -25.143
  172    HB3  ALA  22           2HB      ALA  22  -8.236 -11.777 -24.322
  173    H    HIS  23           H        HIS  23  -5.797 -13.093 -27.575
  174    HA   HIS  23           HA       HIS  23  -3.896 -15.059 -26.562
  175    HB2  HIS  23           2HB      HIS  23  -4.578 -16.731 -28.171
  176    HB3  HIS  23           1HB      HIS  23  -5.982 -16.256 -27.226
  177    HD1  HIS  23           1HD      HIS  23  -4.947 -16.855 -30.611
  178    HD2  HIS  23           2HD      HIS  23  -7.657 -14.286 -28.757
  179    HE1  HIS  23           1HE      HIS  23  -6.483 -16.049 -32.428
  180    HE2  HIS  23           2HE      HIS  23  -8.249 -14.696 -31.249
  181    H    ALA  24           H        ALA  24  -2.072 -15.333 -27.760
  182    HA   ALA  24           HA       ALA  24  -1.584 -13.259 -29.785
  183    HB1  ALA  24           3HB      ALA  24   0.790 -13.690 -29.377
  184    HB2  ALA  24           1HB      ALA  24   0.370 -14.995 -28.265
  185    HB3  ALA  24           2HB      ALA  24  -0.051 -13.328 -27.869
  186    H    GLN  25           H        GLN  25  -1.858 -16.654 -29.282
  187    HA   GLN  25           HA       GLN  25  -0.959 -17.237 -32.001
  188    HB2  GLN  25           2HB      GLN  25  -0.143 -18.710 -30.212
  189    HB3  GLN  25           1HB      GLN  25  -1.801 -19.064 -29.742
  190    HG2  GLN  25           2HG      GLN  25  -2.181 -20.104 -31.939
  191    HG3  GLN  25           1HG      GLN  25  -0.500 -19.790 -32.359
  192   HE21  GLN  25          1HE2      GLN  25  -1.312 -20.672 -29.107
  193   HE22  GLN  25          2HE2      GLN  25  -0.705 -22.297 -29.175
  Start of MODEL   17
    1    H1   GLU   1           1HT      GLU   1   9.610   3.730 -16.851
    2    H2   GLU   1           2HT      GLU   1   8.133   4.526 -17.082
    3    H3   GLU   1           3HT      GLU   1   9.358   5.267 -16.170
    4    HA   GLU   1           HA       GLU   1   9.354   4.730 -19.086
    5    HB2  GLU   1           2HB      GLU   1   9.191   7.183 -17.361
    6    HB3  GLU   1           1HB      GLU   1   9.868   7.290 -18.984
    7    HG2  GLU   1           2HG      GLU   1   7.327   5.871 -18.860
    8    HG3  GLU   1           1HG      GLU   1   7.242   7.562 -18.351
    9    H    PHE   2           H        PHE   2  11.279   4.100 -19.817
   10    HA   PHE   2           HA       PHE   2  13.667   4.780 -18.302
   11    HB2  PHE   2           2HB      PHE   2  13.306   2.473 -19.233
   12    HB3  PHE   2           1HB      PHE   2  13.476   3.159 -20.845
   13    HD1  PHE   2           1HD      PHE   2  15.194   2.411 -17.701
   14    HD2  PHE   2           2HD      PHE   2  15.638   3.753 -21.720
   15    HE1  PHE   2           1HE      PHE   2  17.628   2.114 -17.526
   16    HE2  PHE   2           2HE      PHE   2  18.075   3.457 -21.551
   17    HZ   PHE   2           HZ       PHE   2  19.068   2.634 -19.455
   18    H    CYS   3           H        CYS   3  12.138   5.469 -21.407
   19    HA   CYS   3           HA       CYS   3  14.306   7.355 -21.970
   20    HB2  CYS   3           2HB      CYS   3  12.391   6.519 -24.093
   21    HB3  CYS   3           1HB      CYS   3  14.071   7.017 -24.239
   22    H    LEU   4           H        LEU   4  11.385   7.441 -20.665
   23    HA   LEU   4           HA       LEU   4   9.686   8.941 -20.475
   24    HB2  LEU   4           2HB      LEU   4  11.904  10.736 -21.435
   25    HB3  LEU   4           1HB      LEU   4  10.313  11.359 -21.057
   26    HG   LEU   4           HG       LEU   4  10.593  10.445 -18.737
   27   HD11  LEU   4          1HD1      LEU   4  13.418  10.020 -19.683
   28   HD12  LEU   4          2HD1      LEU   4  12.294   8.782 -19.136
   29   HD13  LEU   4          3HD1      LEU   4  12.900   9.982 -17.996
   30   HD21  LEU   4          3HD2      LEU   4  12.612  12.462 -19.685
   31   HD22  LEU   4          1HD2      LEU   4  12.052  12.261 -18.025
   32   HD23  LEU   4          2HD2      LEU   4  10.929  12.795 -19.277
   33    H    ASN   5           H        ASN   5   9.799   7.398 -22.820
   34    HA   ASN   5           HA       ASN   5   8.034   8.644 -24.587
   35    HB2  ASN   5           2HB      ASN   5   9.896  10.049 -25.296
   36    HB3  ASN   5           1HB      ASN   5  10.911   8.627 -25.523
   37   HD21  ASN   5          1HD2      ASN   5  10.425   7.182 -27.197
   38   HD22  ASN   5          2HD2      ASN   5   9.511   7.681 -28.592
   39    H    CYS   6           H        CYS   6  10.865   6.456 -24.724
   40    HA   CYS   6           HA       CYS   6   9.756   4.745 -26.667
   41    HB2  CYS   6           2HB      CYS   6  11.558   3.241 -26.189
   42    HB3  CYS   6           1HB      CYS   6  12.198   4.871 -26.010
   43    H    VAL   7           H        VAL   7   8.992   5.215 -23.464
   44    HA   VAL   7           HA       VAL   7   7.872   2.558 -23.212
   45    HB   VAL   7           HB       VAL   7   8.726   4.611 -21.185
   46   HG11  VAL   7          1HG1      VAL   7   6.464   3.902 -20.499
   47   HG12  VAL   7          2HG1      VAL   7   7.687   3.249 -19.411
   48   HG13  VAL   7          3HG1      VAL   7   6.948   2.213 -20.631
   49   HG21  VAL   7          3HG2      VAL   7  10.356   2.984 -21.944
   50   HG22  VAL   7          1HG2      VAL   7   9.269   1.660 -21.533
   51   HG23  VAL   7          2HG2      VAL   7   9.932   2.683 -20.261
   52    H    SER   8           H        SER   8   6.972   5.939 -22.406
   53    HA   SER   8           HA       SER   8   4.217   5.191 -22.214
   54    HB2  SER   8           2HB      SER   8   3.802   7.597 -21.858
   55    HB3  SER   8           1HB      SER   8   5.100   6.996 -20.826
   56    HG   SER   8           HG       SER   8   6.382   8.387 -21.720
   57    H    HIS   9           H        HIS   9   6.149   7.010 -24.535
   58    HA   HIS   9           HA       HIS   9   3.827   7.464 -26.231
   59    HB2  HIS   9           2HB      HIS   9   6.699   8.394 -26.458
   60    HB3  HIS   9           1HB      HIS   9   5.421   8.825 -27.592
   61    HD1  HIS   9           1HD      HIS   9   6.944   9.851 -24.447
   62    HD2  HIS   9           2HD      HIS   9   3.298  10.422 -26.350
   63    HE1  HIS   9           1HE      HIS   9   5.905  11.827 -23.307
   64    HE2  HIS   9           2HE      HIS   9   3.611  12.022 -24.337
   65    H    THR  10           H        THR  10   4.989   4.793 -25.842
   66    HA   THR  10           HA       THR  10   5.144   4.126 -28.673
   67    HB   THR  10           HB       THR  10   7.112   3.028 -26.655
   68    HG1  THR  10           1HG      THR  10   7.180   5.262 -28.194
   69   HG21  THR  10          3HG2      THR  10   6.464   1.424 -28.400
   70   HG22  THR  10          1HG2      THR  10   8.142   1.932 -28.568
   71   HG23  THR  10          2HG2      THR  10   6.910   2.594 -29.639
   72    H    ALA  11           H        ALA  11   5.239   2.685 -25.394
   73    HA   ALA  11           HA       ALA  11   3.915   1.187 -24.335
   74    HB1  ALA  11           3HB      ALA  11   1.626   0.870 -25.020
   75    HB2  ALA  11           1HB      ALA  11   1.973   1.572 -26.603
   76    HB3  ALA  11           2HB      ALA  11   2.063   2.573 -25.152
   77    H    SER  12           H        SER  12   3.623   0.529 -27.815
   78    HA   SER  12           HA       SER  12   3.226  -2.208 -27.759
   79    HB2  SER  12           2HB      SER  12   3.238  -0.490 -29.710
   80    HB3  SER  12           1HB      SER  12   4.940  -0.896 -29.854
   81    HG   SER  12           HG       SER  12   3.102  -2.136 -31.047
   82    H    TYR  13           H        TYR  13   6.222  -0.401 -27.707
   83    HA   TYR  13           HA       TYR  13   8.026  -2.510 -28.124
   84    HB2  TYR  13           2HB      TYR  13   8.538  -0.110 -28.415
   85    HB3  TYR  13           1HB      TYR  13   8.452   0.103 -26.673
   86    HD1  TYR  13           1HD      TYR  13  10.223  -2.045 -29.164
   87    HD2  TYR  13           2HD      TYR  13  10.460   0.143 -25.527
   88    HE1  TYR  13           1HE      TYR  13  12.624  -2.550 -29.027
   89    HE2  TYR  13           2HE      TYR  13  12.863  -0.355 -25.374
   90    HH   TYR  13           HH       TYR  13  14.472  -1.908 -26.176
   91    H    LEU  14           H        LEU  14   6.148  -1.728 -25.400
   92    HA   LEU  14           HA       LEU  14   7.949  -3.136 -23.575
   93    HB2  LEU  14           2HB      LEU  14   5.393  -1.614 -23.076
   94    HB3  LEU  14           1HB      LEU  14   6.237  -2.518 -21.839
   95    HG   LEU  14           HG       LEU  14   6.812  -0.236 -21.548
   96   HD11  LEU  14          1HD1      LEU  14   9.249  -0.258 -21.932
   97   HD12  LEU  14          2HD1      LEU  14   9.054  -1.693 -22.938
   98   HD13  LEU  14          3HD1      LEU  14   8.654  -1.759 -21.222
   99   HD21  LEU  14          3HD2      LEU  14   7.567  -0.203 -24.469
  100   HD22  LEU  14          1HD2      LEU  14   7.831   1.115 -23.326
  101   HD23  LEU  14          2HD2      LEU  14   6.187   0.616 -23.731
  102    H    ARG  15           H        ARG  15   6.088  -4.165 -25.827
  103    HA   ARG  15           HA       ARG  15   4.983  -6.096 -26.274
  104    HB2  ARG  15           2HB      ARG  15   5.478  -6.857 -23.391
  105    HB3  ARG  15           1HB      ARG  15   5.024  -7.936 -24.698
  106    HG2  ARG  15           2HG      ARG  15   7.135  -7.653 -25.770
  107    HG3  ARG  15           1HG      ARG  15   7.588  -6.372 -24.641
  108    HD2  ARG  15           2HD      ARG  15   7.186  -9.299 -24.049
  109    HD3  ARG  15           1HD      ARG  15   8.687  -8.380 -23.964
  110    HE   ARG  15           HE       ARG  15   6.943  -7.144 -22.221
  111   HH11  ARG  15          1HH1      ARG  15   8.380 -10.323 -22.567
  112   HH12  ARG  15          2HH1      ARG  15   8.336 -10.677 -20.859
  113   HH21  ARG  15          1HH2      ARG  15   6.886  -7.583 -19.992
  114   HH22  ARG  15          2HH2      ARG  15   7.484  -9.106 -19.382
  115    H    LEU  16           H        LEU  16   3.798  -3.663 -25.019
  116    HA   LEU  16           HA       LEU  16   1.641  -4.606 -23.372
  117    HB2  LEU  16           2HB      LEU  16   2.715  -2.365 -23.107
  118    HB3  LEU  16           1HB      LEU  16   2.023  -1.889 -24.645
  119    HG   LEU  16           HG       LEU  16  -0.241  -2.192 -23.703
  120   HD11  LEU  16          1HD1      LEU  16   0.270  -3.859 -21.997
  121   HD12  LEU  16          2HD1      LEU  16  -0.536  -2.457 -21.294
  122   HD13  LEU  16          3HD1      LEU  16   1.203  -2.663 -21.101
  123   HD21  LEU  16          3HD2      LEU  16  -0.229  -0.205 -22.337
  124   HD22  LEU  16          1HD2      LEU  16   0.882  -0.012 -23.693
  125   HD23  LEU  16          2HD2      LEU  16   1.510  -0.362 -22.080
  126    H    TRP  17           H        TRP  17   2.179  -4.860 -26.593
  127    HA   TRP  17           HA       TRP  17  -0.609  -4.470 -27.350
  128    HB2  TRP  17           2HB      TRP  17   1.168  -3.805 -28.931
  129    HB3  TRP  17           1HB      TRP  17   1.706  -5.480 -29.012
  130    HD1  TRP  17           HD       TRP  17  -1.208  -3.213 -30.036
  131    HE1  TRP  17           1HE      TRP  17  -2.514  -4.347 -31.944
  132    HE3  TRP  17           3HE      TRP  17   1.206  -7.734 -30.101
  133    HZ2  TRP  17           2HZ      TRP  17  -2.511  -6.823 -33.293
  134    HZ3  TRP  17           3HZ      TRP  17   0.484  -9.427 -31.737
  135    HH2  TRP  17           HH       TRP  17  -1.339  -8.976 -33.298
  136    H    ALA  18           H        ALA  18   1.748  -7.119 -27.145
  137    HA   ALA  18           HA       ALA  18  -0.268  -9.091 -27.781
  138    HB1  ALA  18           3HB      ALA  18   2.574  -9.518 -26.863
  139    HB2  ALA  18           1HB      ALA  18   2.060  -9.330 -28.542
  140    HB3  ALA  18           2HB      ALA  18   1.510 -10.717 -27.601
  141    H    LEU  19           H        LEU  19   1.550  -8.129 -24.898
  142    HA   LEU  19           HA       LEU  19   0.118 -10.098 -23.294
  143    HB2  LEU  19           2HB      LEU  19   2.247  -8.082 -22.550
  144    HB3  LEU  19           1HB      LEU  19   1.553  -9.257 -21.452
  145    HG   LEU  19           HG       LEU  19   3.167  -9.932 -23.916
  146   HD11  LEU  19          1HD1      LEU  19   4.523  -8.896 -22.166
  147   HD12  LEU  19          2HD1      LEU  19   4.893 -10.613 -22.336
  148   HD13  LEU  19          3HD1      LEU  19   3.894 -10.056 -20.993
  149   HD21  LEU  19          3HD2      LEU  19   2.154 -11.702 -21.698
  150   HD22  LEU  19          1HD2      LEU  19   3.120 -12.201 -23.087
  151   HD23  LEU  19          2HD2      LEU  19   1.472 -11.617 -23.323
  152    H    SER  20           H        SER  20  -1.251  -7.819 -24.572
  153    HA   SER  20           HA       SER  20  -1.907  -6.018 -22.414
  154    HB2  SER  20           2HB      SER  20  -1.734  -5.372 -24.871
  155    HB3  SER  20           1HB      SER  20  -3.248  -6.245 -25.105
  156    HG   SER  20           HG       SER  20  -2.783  -3.783 -23.996
  157    H    LEU  21           H        LEU  21  -4.390  -5.585 -22.197
  158    HA   LEU  21           HA       LEU  21  -5.790  -8.161 -21.951
  159    HB2  LEU  21           2HB      LEU  21  -5.861  -5.783 -20.098
  160    HB3  LEU  21           1HB      LEU  21  -7.038  -7.077 -20.036
  161    HG   LEU  21           HG       LEU  21  -5.004  -8.630 -19.706
  162   HD11  LEU  21          1HD1      LEU  21  -3.104  -7.566 -18.585
  163   HD12  LEU  21          2HD1      LEU  21  -3.786  -5.982 -18.953
  164   HD13  LEU  21          3HD1      LEU  21  -3.267  -7.043 -20.263
  165   HD21  LEU  21          3HD2      LEU  21  -5.845  -6.692 -17.555
  166   HD22  LEU  21          1HD2      LEU  21  -5.055  -8.245 -17.294
  167   HD23  LEU  21          2HD2      LEU  21  -6.672  -8.187 -17.993
  168    H    ALA  22           H        ALA  22  -8.015  -8.169 -22.426
  169    HA   ALA  22           HA       ALA  22  -8.924  -5.785 -23.908
  170    HB1  ALA  22           3HB      ALA  22 -10.231  -7.277 -25.322
  171    HB2  ALA  22           1HB      ALA  22  -9.664  -8.669 -24.402
  172    HB3  ALA  22           2HB      ALA  22  -8.525  -7.720 -25.360
  173    H    HIS  23           H        HIS  23  -9.288  -7.312 -21.094
  174    HA   HIS  23           HA       HIS  23 -11.723  -6.040 -20.464
  175    HB2  HIS  23           2HB      HIS  23 -13.188  -7.885 -20.083
  176    HB3  HIS  23           1HB      HIS  23 -12.578  -8.046 -21.722
  177    HD1  HIS  23           1HD      HIS  23 -10.290  -9.761 -21.739
  178    HD2  HIS  23           2HD      HIS  23 -13.164 -10.212 -18.759
  179    HE1  HIS  23           1HE      HIS  23  -9.995 -12.095 -20.853
  180    HE2  HIS  23           2HE      HIS  23 -11.890 -12.416 -19.226
  181    H    ALA  24           H        ALA  24 -11.806  -5.655 -18.337
  182    HA   ALA  24           HA       ALA  24  -9.691  -6.719 -16.669
  183    HB1  ALA  24           3HB      ALA  24 -10.454  -5.089 -15.016
  184    HB2  ALA  24           1HB      ALA  24 -11.840  -4.693 -16.031
  185    HB3  ALA  24           2HB      ALA  24 -10.207  -4.332 -16.589
  186    H    GLN  25           H        GLN  25 -13.193  -6.872 -16.917
  187    HA   GLN  25           HA       GLN  25 -13.274  -8.807 -14.717
  188    HB2  GLN  25           2HB      GLN  25 -14.725  -6.869 -14.414
  189    HB3  GLN  25           1HB      GLN  25 -15.465  -7.149 -15.986
  190    HG2  GLN  25           2HG      GLN  25 -16.386  -9.256 -15.174
  191    HG3  GLN  25           1HG      GLN  25 -15.624  -9.001 -13.608
  192   HE21  GLN  25          1HE2      GLN  25 -18.137  -7.991 -15.761
  193   HE22  GLN  25          2HE2      GLN  25 -19.056  -7.079 -14.607
  Start of MODEL   18
    1    H1   GLU   1           1HT      GLU   1   4.819   4.678 -17.338
    2    H2   GLU   1           2HT      GLU   1   3.470   5.659 -17.658
    3    H3   GLU   1           3HT      GLU   1   4.275   5.780 -16.165
    4    HA   GLU   1           HA       GLU   1   5.413   6.488 -18.821
    5    HB2  GLU   1           2HB      GLU   1   5.164   8.482 -16.633
    6    HB3  GLU   1           1HB      GLU   1   5.019   8.696 -18.366
    7    HG2  GLU   1           2HG      GLU   1   2.920   7.605 -16.507
    8    HG3  GLU   1           1HG      GLU   1   2.918   9.173 -17.308
    9    H    PHE   2           H        PHE   2   7.336   5.337 -18.516
   10    HA   PHE   2           HA       PHE   2   8.926   5.796 -16.159
   11    HB2  PHE   2           2HB      PHE   2   9.040   3.678 -17.551
   12    HB3  PHE   2           1HB      PHE   2   9.858   4.623 -18.790
   13    HD1  PHE   2           1HD      PHE   2  10.113   3.364 -15.337
   14    HD2  PHE   2           2HD      PHE   2  12.158   5.157 -18.612
   15    HE1  PHE   2           1HE      PHE   2  12.258   2.952 -14.215
   16    HE2  PHE   2           2HE      PHE   2  14.312   4.746 -17.491
   17    HZ   PHE   2           HZ       PHE   2  14.363   3.639 -15.291
   18    H    CYS   3           H        CYS   3   9.813   6.345 -19.570
   19    HA   CYS   3           HA       CYS   3  11.241   8.733 -18.779
   20    HB2  CYS   3           2HB      CYS   3  10.979   8.027 -21.651
   21    HB3  CYS   3           1HB      CYS   3  12.384   8.610 -20.765
   22    H    LEU   4           H        LEU   4   8.190   8.313 -18.999
   23    HA   LEU   4           HA       LEU   4   6.373   9.611 -19.369
   24    HB2  LEU   4           2HB      LEU   4   8.362  11.705 -20.246
   25    HB3  LEU   4           1HB      LEU   4   6.654  11.985 -19.962
   26    HG   LEU   4           HG       LEU   4   8.645  11.115 -17.861
   27   HD11  LEU   4          1HD1      LEU   4   8.389  13.373 -16.979
   28   HD12  LEU   4          2HD1      LEU   4   7.351  13.792 -18.341
   29   HD13  LEU   4          3HD1      LEU   4   9.047  13.395 -18.615
   30   HD21  LEU   4          3HD2      LEU   4   6.868  11.555 -16.268
   31   HD22  LEU   4          1HD2      LEU   4   6.357  10.328 -17.427
   32   HD23  LEU   4          2HD2      LEU   4   5.772  11.986 -17.582
   33    H    ASN   5           H        ASN   5   8.414   8.581 -21.768
   34    HA   ASN   5           HA       ASN   5   6.234   8.777 -23.696
   35    HB2  ASN   5           2HB      ASN   5   7.653  10.675 -24.280
   36    HB3  ASN   5           1HB      ASN   5   9.064   9.626 -24.346
   37   HD21  ASN   5          1HD2      ASN   5   9.176   8.043 -26.042
   38   HD22  ASN   5          2HD2      ASN   5   8.278   8.258 -27.503
   39    H    CYS   6           H        CYS   6   9.547   7.572 -23.205
   40    HA   CYS   6           HA       CYS   6   9.727   5.635 -25.118
   41    HB2  CYS   6           2HB      CYS   6  11.407   4.565 -23.763
   42    HB3  CYS   6           1HB      CYS   6  11.512   6.298 -23.466
   43    H    VAL   7           H        VAL   7   8.061   5.419 -22.058
   44    HA   VAL   7           HA       VAL   7   7.186   2.711 -22.692
   45    HB   VAL   7           HB       VAL   7   7.151   4.331 -20.143
   46   HG11  VAL   7          1HG1      VAL   7   6.110   2.393 -19.039
   47   HG12  VAL   7          2HG1      VAL   7   5.945   1.590 -20.601
   48   HG13  VAL   7          3HG1      VAL   7   5.052   3.074 -20.274
   49   HG21  VAL   7          3HG2      VAL   7   8.473   1.718 -20.886
   50   HG22  VAL   7          1HG2      VAL   7   8.560   2.497 -19.305
   51   HG23  VAL   7          2HG2      VAL   7   9.275   3.278 -20.716
   52    H    SER   8           H        SER   8   6.013   5.908 -21.920
   53    HA   SER   8           HA       SER   8   3.281   5.449 -21.782
   54    HB2  SER   8           2HB      SER   8   4.652   7.931 -22.821
   55    HB3  SER   8           1HB      SER   8   3.030   7.829 -22.136
   56    HG   SER   8           HG       SER   8   3.852   7.959 -20.243
   57    H    HIS   9           H        HIS   9   4.900   6.956 -24.583
   58    HA   HIS   9           HA       HIS   9   2.545   6.428 -26.195
   59    HB2  HIS   9           2HB      HIS   9   5.109   7.900 -26.837
   60    HB3  HIS   9           1HB      HIS   9   3.728   7.773 -27.924
   61    HD1  HIS   9           1HD      HIS   9   5.081  10.345 -26.284
   62    HD2  HIS   9           2HD      HIS   9   1.355   8.554 -25.798
   63    HE1  HIS   9           1HE      HIS   9   3.626  12.082 -25.192
   64    HE2  HIS   9           2HE      HIS   9   1.396  10.961 -24.839
   65    H    THR  10           H        THR  10   5.516   4.944 -25.573
   66    HA   THR  10           HA       THR  10   5.480   3.545 -28.157
   67    HB   THR  10           HB       THR  10   7.811   3.534 -26.263
   68    HG1  THR  10           1HG      THR  10   7.098   5.512 -28.195
   69   HG21  THR  10          3HG2      THR  10   9.104   3.127 -28.301
   70   HG22  THR  10          1HG2      THR  10   7.634   3.256 -29.268
   71   HG23  THR  10          2HG2      THR  10   7.827   1.924 -28.128
   72    H    ALA  11           H        ALA  11   3.953   3.153 -25.612
   73    HA   ALA  11           HA       ALA  11   4.607   0.808 -24.291
   74    HB1  ALA  11           3HB      ALA  11   1.850   1.684 -25.147
   75    HB2  ALA  11           1HB      ALA  11   2.694   2.210 -23.688
   76    HB3  ALA  11           2HB      ALA  11   2.225   0.520 -23.878
   77    H    SER  12           H        SER  12   3.735   1.237 -27.558
   78    HA   SER  12           HA       SER  12   2.737  -1.193 -28.394
   79    HB2  SER  12           2HB      SER  12   3.340   1.014 -29.651
   80    HB3  SER  12           1HB      SER  12   4.895   0.237 -29.908
   81    HG   SER  12           HG       SER  12   3.873  -0.526 -31.597
   82    H    TYR  13           H        TYR  13   6.023  -0.230 -27.675
   83    HA   TYR  13           HA       TYR  13   7.071  -2.859 -28.405
   84    HB2  TYR  13           2HB      TYR  13   8.275  -1.135 -29.460
   85    HB3  TYR  13           1HB      TYR  13   8.274  -0.129 -28.021
   86    HD1  TYR  13           2HD      TYR  13   9.492  -3.500 -29.040
   87    HD2  TYR  13           1HD      TYR  13  10.349   0.124 -26.975
   88    HE1  TYR  13           2HE      TYR  13  11.724  -4.352 -28.490
   89    HE2  TYR  13           1HE      TYR  13  12.588  -0.733 -26.408
   90    HH   TYR  13           HH       TYR  13  13.888  -3.579 -27.847
   91    H    LEU  14           H        LEU  14   6.416  -0.840 -25.667
   92    HA   LEU  14           HA       LEU  14   8.139  -2.382 -23.909
   93    HB2  LEU  14           2HB      LEU  14   6.555   0.118 -23.652
   94    HB3  LEU  14           1HB      LEU  14   6.896  -0.785 -22.186
   95    HG   LEU  14           HG       LEU  14   8.534   0.989 -22.525
   96   HD11  LEU  14          1HD1      LEU  14  10.584  -0.331 -22.388
   97   HD12  LEU  14          2HD1      LEU  14   9.715  -1.745 -22.985
   98   HD13  LEU  14          3HD1      LEU  14   9.291  -1.040 -21.424
   99   HD21  LEU  14          3HD2      LEU  14  10.065   0.946 -24.424
  100   HD22  LEU  14          1HD2      LEU  14   8.395   1.169 -24.940
  101   HD23  LEU  14          2HD2      LEU  14   9.168  -0.409 -25.112
  102    H    ARG  15           H        ARG  15   5.032  -2.646 -25.098
  103    HA   ARG  15           HA       ARG  15   4.327  -4.465 -22.893
  104    HB2  ARG  15           2HB      ARG  15   2.520  -2.665 -24.496
  105    HB3  ARG  15           1HB      ARG  15   1.919  -3.986 -23.508
  106    HG2  ARG  15           2HG      ARG  15   3.433  -1.572 -22.535
  107    HG3  ARG  15           1HG      ARG  15   1.709  -1.884 -22.338
  108    HD2  ARG  15           2HD      ARG  15   2.523  -4.073 -21.178
  109    HD3  ARG  15           1HD      ARG  15   4.039  -3.189 -21.000
  110    HE   ARG  15           HE       ARG  15   1.831  -1.613 -20.126
  111   HH11  ARG  15          1HH1      ARG  15   3.901  -4.286 -19.151
  112   HH12  ARG  15          2HH1      ARG  15   3.600  -4.056 -17.444
  113   HH21  ARG  15          1HH2      ARG  15   1.398  -1.343 -17.895
  114   HH22  ARG  15          2HH2      ARG  15   2.144  -2.423 -16.743
  115    H    LEU  16           H        LEU  16   2.703  -6.155 -23.619
  116    HA   LEU  16           HA       LEU  16   3.694  -7.372 -26.036
  117    HB2  LEU  16           2HB      LEU  16   1.710  -8.213 -23.944
  118    HB3  LEU  16           1HB      LEU  16   1.815  -9.082 -25.462
  119    HG   LEU  16           HG       LEU  16   3.119 -10.246 -23.803
  120   HD11  LEU  16          1HD1      LEU  16   3.996 -10.258 -26.056
  121   HD12  LEU  16          2HD1      LEU  16   5.313 -10.251 -24.883
  122   HD13  LEU  16          3HD1      LEU  16   4.886  -8.769 -25.740
  123   HD21  LEU  16          3HD2      LEU  16   4.603  -7.648 -23.427
  124   HD22  LEU  16          1HD2      LEU  16   5.067  -9.199 -22.728
  125   HD23  LEU  16          2HD2      LEU  16   3.551  -8.435 -22.251
  126    H    TRP  17           H        TRP  17   3.013  -5.468 -27.297
  127    HA   TRP  17           HA       TRP  17   0.215  -5.751 -28.172
  128    HB2  TRP  17           2HB      TRP  17   0.804  -3.522 -27.323
  129    HB3  TRP  17           1HB      TRP  17   2.119  -3.408 -28.485
  130    HD1  TRP  17           HD       TRP  17   1.454  -2.731 -30.993
  131    HE1  TRP  17           1HE      TRP  17  -0.719  -1.827 -32.051
  132    HE3  TRP  17           3HE      TRP  17  -1.753  -3.678 -27.137
  133    HZ2  TRP  17           2HZ      TRP  17  -3.442  -1.569 -31.328
  134    HZ3  TRP  17           3HZ      TRP  17  -4.124  -3.078 -27.398
  135    HH2  TRP  17           HH       TRP  17  -4.950  -2.046 -29.450
  136    H    ALA  18           H        ALA  18   3.510  -6.133 -29.079
  137    HA   ALA  18           HA       ALA  18   2.949  -6.151 -31.945
  138    HB1  ALA  18           3HB      ALA  18   5.031  -5.102 -31.197
  139    HB2  ALA  18           1HB      ALA  18   5.358  -6.504 -32.219
  140    HB3  ALA  18           2HB      ALA  18   5.540  -6.627 -30.469
  141    H    LEU  19           H        LEU  19   2.501  -7.953 -33.044
  142    HA   LEU  19           HA       LEU  19   2.185 -10.126 -33.592
  143    HB2  LEU  19           2HB      LEU  19   4.521 -10.485 -31.726
  144    HB3  LEU  19           1HB      LEU  19   3.723 -11.862 -32.456
  145    HG   LEU  19           HG       LEU  19   4.245 -10.825 -34.713
  146   HD11  LEU  19          1HD1      LEU  19   4.677  -8.547 -33.989
  147   HD12  LEU  19          2HD1      LEU  19   6.092  -9.224 -34.794
  148   HD13  LEU  19          3HD1      LEU  19   6.059  -9.096 -33.035
  149   HD21  LEU  19          3HD2      LEU  19   5.478 -12.721 -33.834
  150   HD22  LEU  19          1HD2      LEU  19   6.533 -11.634 -32.925
  151   HD23  LEU  19          2HD2      LEU  19   6.565 -11.627 -34.687
  152    H    SER  20           H        SER  20   1.135  -8.784 -30.998
  153    HA   SER  20           HA       SER  20   0.215 -11.204 -29.634
  154    HB2  SER  20           2HB      SER  20   0.262  -8.341 -28.681
  155    HB3  SER  20           1HB      SER  20  -0.224  -9.738 -27.720
  156    HG   SER  20           HG       SER  20   2.320  -9.621 -28.951
  157    H    LEU  21           H        LEU  21  -1.824 -11.813 -29.980
  158    HA   LEU  21           HA       LEU  21  -3.671  -9.957 -31.250
  159    HB2  LEU  21           2HB      LEU  21  -3.403 -12.224 -32.160
  160    HB3  LEU  21           1HB      LEU  21  -3.920 -12.900 -30.628
  161    HG   LEU  21           HG       LEU  21  -6.146 -11.849 -30.942
  162   HD11  LEU  21          1HD1      LEU  21  -6.747 -10.944 -33.120
  163   HD12  LEU  21          2HD1      LEU  21  -5.086 -11.140 -33.680
  164   HD13  LEU  21          3HD1      LEU  21  -5.452 -10.003 -32.384
  165   HD21  LEU  21          3HD2      LEU  21  -5.235 -13.647 -33.186
  166   HD22  LEU  21          1HD2      LEU  21  -6.903 -13.405 -32.665
  167   HD23  LEU  21          2HD2      LEU  21  -5.742 -14.168 -31.581
  168    H    ALA  22           H        ALA  22  -3.525 -12.081 -28.390
  169    HA   ALA  22           HA       ALA  22  -5.145 -10.269 -26.864
  170    HB1  ALA  22           3HB      ALA  22  -6.378 -12.929 -27.571
  171    HB2  ALA  22           1HB      ALA  22  -6.871 -11.375 -28.243
  172    HB3  ALA  22           2HB      ALA  22  -7.066 -11.692 -26.517
  173    H    HIS  23           H        HIS  23  -2.562 -11.511 -26.494
  174    HA   HIS  23           HA       HIS  23  -3.216 -12.979 -24.052
  175    HB2  HIS  23           2HB      HIS  23  -1.221 -14.250 -24.154
  176    HB3  HIS  23           1HB      HIS  23  -1.905 -14.305 -25.769
  177    HD1  HIS  23           1HD      HIS  23   1.170 -13.559 -23.945
  178    HD2  HIS  23           2HD      HIS  23  -0.455 -12.569 -27.652
  179    HE1  HIS  23           1HE      HIS  23   3.075 -12.681 -25.315
  180    HE2  HIS  23           2HE      HIS  23   2.127 -12.318 -27.615
  181    H    ALA  24           H        ALA  24  -3.003 -11.803 -22.301
  182    HA   ALA  24           HA       ALA  24  -1.297  -9.495 -22.180
  183    HB1  ALA  24           3HB      ALA  24  -3.355  -9.595 -20.872
  184    HB2  ALA  24           1HB      ALA  24  -1.955  -9.393 -19.820
  185    HB3  ALA  24           2HB      ALA  24  -2.727 -10.973 -19.967
  186    H    GLN  25           H        GLN  25  -1.197 -12.792 -20.957
  187    HA   GLN  25           HA       GLN  25   1.683 -12.460 -20.506
  188    HB2  GLN  25           2HB      GLN  25   0.457 -12.962 -18.440
  189    HB3  GLN  25           1HB      GLN  25  -0.266 -14.368 -19.208
  190    HG2  GLN  25           2HG      GLN  25   1.973 -15.358 -19.450
  191    HG3  GLN  25           1HG      GLN  25   2.658 -13.965 -18.614
  192   HE21  GLN  25          1HE2      GLN  25   0.763 -16.850 -18.302
  193   HE22  GLN  25          2HE2      GLN  25   0.843 -16.957 -16.580
  Start of MODEL   19
    1    H1   GLU   1           1HT      GLU   1  -1.112   1.264 -35.167
    2    H2   GLU   1           2HT      GLU   1  -1.488   1.362 -33.517
    3    H3   GLU   1           3HT      GLU   1  -0.060   0.590 -34.012
    4    HA   GLU   1           HA       GLU   1   0.454   2.753 -33.139
    5    HB2  GLU   1           2HB      GLU   1   0.666   2.807 -36.153
    6    HB3  GLU   1           1HB      GLU   1   1.717   3.619 -34.998
    7    HG2  GLU   1           2HG      GLU   1   2.525   1.469 -34.196
    8    HG3  GLU   1           1HG      GLU   1   1.436   0.640 -35.309
    9    H    PHE   2           H        PHE   2  -1.339   3.862 -32.367
   10    HA   PHE   2           HA       PHE   2  -3.187   5.197 -34.037
   11    HB2  PHE   2           2HB      PHE   2  -3.596   4.619 -31.650
   12    HB3  PHE   2           1HB      PHE   2  -2.449   5.872 -31.184
   13    HD1  PHE   2           1HD      PHE   2  -5.579   5.380 -33.138
   14    HD2  PHE   2           2HD      PHE   2  -3.227   8.015 -30.770
   15    HE1  PHE   2           1HE      PHE   2  -7.406   7.023 -33.154
   16    HE2  PHE   2           2HE      PHE   2  -5.053   9.665 -30.785
   17    HZ   PHE   2           HZ       PHE   2  -7.149   9.166 -31.972
   18    H    CYS   3           H        CYS   3  -0.653   6.660 -31.975
   19    HA   CYS   3           HA       CYS   3  -0.625   8.959 -33.757
   20    HB2  CYS   3           2HB      CYS   3   1.171   8.921 -31.413
   21    HB3  CYS   3           1HB      CYS   3   0.118  10.203 -32.003
   22    H    LEU   4           H        LEU   4   0.631   6.215 -34.201
   23    HA   LEU   4           HA       LEU   4   2.441   5.333 -35.241
   24    HB2  LEU   4           2HB      LEU   4   2.239   7.375 -36.645
   25    HB3  LEU   4           1HB      LEU   4   3.366   8.183 -35.570
   26    HG   LEU   4           HG       LEU   4   5.101   6.520 -36.183
   27   HD11  LEU   4          1HD1      LEU   4   3.619   4.670 -36.772
   28   HD12  LEU   4          2HD1      LEU   4   4.745   5.038 -38.078
   29   HD13  LEU   4          3HD1      LEU   4   3.065   5.562 -38.187
   30   HD21  LEU   4          3HD2      LEU   4   5.485   7.366 -38.465
   31   HD22  LEU   4          1HD2      LEU   4   5.029   8.647 -37.340
   32   HD23  LEU   4          2HD2      LEU   4   3.846   8.014 -38.484
   33    H    ASN   5           H        ASN   5   2.694   7.073 -32.409
   34    HA   ASN   5           HA       ASN   5   5.248   5.776 -31.839
   35    HB2  ASN   5           2HB      ASN   5   5.754   8.129 -32.297
   36    HB3  ASN   5           1HB      ASN   5   4.588   8.627 -31.069
   37   HD21  ASN   5          1HD2      ASN   5   5.007   7.985 -28.856
   38   HD22  ASN   5          2HD2      ASN   5   6.638   7.794 -28.329
   39    H    CYS   6           H        CYS   6   2.626   7.671 -30.366
   40    HA   CYS   6           HA       CYS   6   2.867   7.030 -27.730
   41    HB2  CYS   6           2HB      CYS   6   0.488   7.474 -27.500
   42    HB3  CYS   6           1HB      CYS   6   1.179   8.574 -28.690
   43    H    VAL   7           H        VAL   7   1.329   5.106 -30.214
   44    HA   VAL   7           HA       VAL   7   0.948   2.899 -28.370
   45    HB   VAL   7           HB       VAL   7   0.116   3.360 -31.245
   46   HG11  VAL   7          1HG1      VAL   7  -1.029   1.172 -31.139
   47   HG12  VAL   7          2HG1      VAL   7  -0.283   0.858 -29.570
   48   HG13  VAL   7          3HG1      VAL   7   0.721   0.988 -31.015
   49   HG21  VAL   7          3HG2      VAL   7  -1.186   4.467 -29.508
   50   HG22  VAL   7          1HG2      VAL   7  -1.449   2.921 -28.703
   51   HG23  VAL   7          2HG2      VAL   7  -2.128   3.207 -30.307
   52    H    SER   8           H        SER   8   2.614   3.609 -31.417
   53    HA   SER   8           HA       SER   8   3.746   1.092 -31.792
   54    HB2  SER   8           2HB      SER   8   3.538   2.793 -33.563
   55    HB3  SER   8           1HB      SER   8   4.769   3.766 -32.767
   56    HG   SER   8           HG       SER   8   5.133   1.875 -34.551
   57    H    HIS   9           H        HIS   9   5.665   3.997 -31.057
   58    HA   HIS   9           HA       HIS   9   7.796   2.291 -30.065
   59    HB2  HIS   9           2HB      HIS   9   7.726   5.278 -30.552
   60    HB3  HIS   9           1HB      HIS   9   9.162   4.331 -30.163
   61    HD1  HIS   9           1HD      HIS   9   7.601   5.792 -32.986
   62    HD2  HIS   9           2HD      HIS   9   9.376   2.098 -32.252
   63    HE1  HIS   9           1HE      HIS   9   8.137   4.832 -35.243
   64    HE2  HIS   9           2HE      HIS   9   9.107   2.552 -34.786
   65    H    THR  10           H        THR  10   5.476   2.507 -28.383
   66    HA   THR  10           HA       THR  10   6.770   3.582 -25.992
   67    HB   THR  10           HB       THR  10   3.941   4.237 -26.827
   68    HG1  THR  10           1HG      THR  10   6.277   5.443 -27.314
   69   HG21  THR  10          3HG2      THR  10   4.062   3.927 -24.420
   70   HG22  THR  10          1HG2      THR  10   3.896   5.646 -24.784
   71   HG23  THR  10          2HG2      THR  10   5.466   4.988 -24.324
   72    H    ALA  11           H        ALA  11   3.658   2.168 -26.986
   73    HA   ALA  11           HA       ALA  11   3.670   0.552 -24.548
   74    HB1  ALA  11           3HB      ALA  11   1.315   0.152 -25.042
   75    HB2  ALA  11           1HB      ALA  11   1.489   0.986 -26.584
   76    HB3  ALA  11           2HB      ALA  11   1.674   1.880 -25.076
   77    H    SER  12           H        SER  12   3.430   0.246 -28.027
   78    HA   SER  12           HA       SER  12   3.210  -2.560 -28.143
   79    HB2  SER  12           2HB      SER  12   2.684  -0.838 -29.945
   80    HB3  SER  12           1HB      SER  12   4.418  -0.767 -30.248
   81    HG   SER  12           HG       SER  12   3.949  -2.380 -31.561
   82    H    TYR  13           H        TYR  13   5.955  -0.335 -28.349
   83    HA   TYR  13           HA       TYR  13   7.986  -2.186 -28.802
   84    HB2  TYR  13           2HB      TYR  13   8.414   0.164 -29.057
   85    HB3  TYR  13           1HB      TYR  13   8.022   0.474 -27.373
   86    HD1  TYR  13           1HD      TYR  13  10.479  -1.281 -29.557
   87    HD2  TYR  13           2HD      TYR  13   9.725   0.481 -25.750
   88    HE1  TYR  13           1HE      TYR  13  12.854  -1.528 -28.973
   89    HE2  TYR  13           2HE      TYR  13  12.096   0.234 -25.167
   90    HH   TYR  13           HH       TYR  13  14.499  -0.465 -27.433
   91    H    LEU  14           H        LEU  14   6.346  -1.336 -25.821
   92    HA   LEU  14           HA       LEU  14   8.172  -3.011 -24.266
   93    HB2  LEU  14           2HB      LEU  14   5.777  -1.376 -23.417
   94    HB3  LEU  14           1HB      LEU  14   6.799  -2.293 -22.328
   95    HG   LEU  14           HG       LEU  14   7.677   0.070 -23.993
   96   HD11  LEU  14          1HD1      LEU  14   7.217  -0.218 -21.030
   97   HD12  LEU  14          2HD1      LEU  14   6.220   0.706 -22.152
   98   HD13  LEU  14          3HD1      LEU  14   7.883   1.204 -21.832
   99   HD21  LEU  14          3HD2      LEU  14   9.469  -1.559 -23.692
  100   HD22  LEU  14          1HD2      LEU  14   9.184  -1.558 -21.952
  101   HD23  LEU  14          2HD2      LEU  14   9.774  -0.099 -22.749
  102    H    ARG  15           H        ARG  15   5.742  -3.585 -26.273
  103    HA   ARG  15           HA       ARG  15   4.251  -5.227 -26.655
  104    HB2  ARG  15           2HB      ARG  15   6.112  -6.512 -24.712
  105    HB3  ARG  15           1HB      ARG  15   4.637  -7.361 -25.168
  106    HG2  ARG  15           2HG      ARG  15   5.499  -7.959 -27.117
  107    HG3  ARG  15           1HG      ARG  15   5.987  -6.306 -27.487
  108    HD2  ARG  15           2HD      ARG  15   7.538  -8.115 -25.658
  109    HD3  ARG  15           1HD      ARG  15   7.838  -8.018 -27.391
  110    HE   ARG  15           HE       ARG  15   8.181  -5.526 -26.894
  111   HH11  ARG  15          1HH1      ARG  15   9.013  -8.177 -24.756
  112   HH12  ARG  15          2HH1      ARG  15  10.227  -7.267 -23.895
  113   HH21  ARG  15          1HH2      ARG  15   9.792  -4.343 -25.779
  114   HH22  ARG  15          2HH2      ARG  15  10.701  -5.101 -24.499
  115    H    LEU  16           H        LEU  16   3.900  -3.250 -24.332
  116    HA   LEU  16           HA       LEU  16   1.998  -4.625 -22.631
  117    HB2  LEU  16           2HB      LEU  16   3.548  -2.810 -21.839
  118    HB3  LEU  16           1HB      LEU  16   2.607  -1.670 -22.782
  119    HG   LEU  16           HG       LEU  16   0.606  -2.269 -21.425
  120   HD11  LEU  16          1HD1      LEU  16   2.625  -3.841 -19.831
  121   HD12  LEU  16          2HD1      LEU  16   1.245  -4.487 -20.719
  122   HD13  LEU  16          3HD1      LEU  16   0.985  -3.473 -19.299
  123   HD21  LEU  16          3HD2      LEU  16   3.000  -1.246 -19.893
  124   HD22  LEU  16          1HD2      LEU  16   1.316  -1.065 -19.405
  125   HD23  LEU  16          2HD2      LEU  16   1.893  -0.286 -20.878
  126    H    TRP  17           H        TRP  17   1.844  -3.806 -25.665
  127    HA   TRP  17           HA       TRP  17  -1.033  -3.226 -25.568
  128    HB2  TRP  17           2HB      TRP  17   0.227  -1.214 -26.284
  129    HB3  TRP  17           1HB      TRP  17   0.944  -2.147 -27.591
  130    HD1  TRP  17           HD       TRP  17  -0.431  -2.444 -29.776
  131    HE1  TRP  17           1HE      TRP  17  -2.684  -1.526 -30.607
  132    HE3  TRP  17           3HE      TRP  17  -2.224  -0.539 -25.368
  133    HZ2  TRP  17           2HZ      TRP  17  -4.915  -0.168 -29.554
  134    HZ3  TRP  17           3HZ      TRP  17  -4.427   0.553 -25.374
  135    HH2  TRP  17           HH       TRP  17  -5.744   0.733 -27.422
  136    H    ALA  18           H        ALA  18   1.633  -4.974 -26.874
  137    HA   ALA  18           HA       ALA  18   0.176  -6.036 -29.130
  138    HB1  ALA  18           3HB      ALA  18   2.947  -6.723 -28.154
  139    HB2  ALA  18           1HB      ALA  18   2.554  -5.508 -29.371
  140    HB3  ALA  18           2HB      ALA  18   2.227  -7.210 -29.687
  141    H    LEU  19           H        LEU  19   1.610  -7.302 -26.134
  142    HA   LEU  19           HA       LEU  19   0.143  -9.807 -26.554
  143    HB2  LEU  19           2HB      LEU  19   2.471  -9.062 -24.805
  144    HB3  LEU  19           1HB      LEU  19   1.546 -10.519 -24.507
  145    HG   LEU  19           HG       LEU  19   3.454 -11.177 -25.735
  146   HD11  LEU  19          1HD1      LEU  19   1.395 -12.236 -26.481
  147   HD12  LEU  19          2HD1      LEU  19   2.528 -12.053 -27.821
  148   HD13  LEU  19          3HD1      LEU  19   1.154 -10.957 -27.669
  149   HD21  LEU  19          3HD2      LEU  19   4.126 -10.181 -27.853
  150   HD22  LEU  19          1HD2      LEU  19   4.137  -8.992 -26.552
  151   HD23  LEU  19          2HD2      LEU  19   2.815  -9.006 -27.721
  152    H    SER  20           H        SER  20  -0.814  -7.096 -25.579
  153    HA   SER  20           HA       SER  20  -1.956  -7.939 -23.011
  154    HB2  SER  20           2HB      SER  20  -1.560  -5.150 -24.120
  155    HB3  SER  20           1HB      SER  20  -2.274  -5.534 -22.552
  156    HG   SER  20           HG       SER  20   0.205  -6.660 -23.066
  157    H    LEU  21           H        LEU  21  -4.109  -6.262 -22.814
  158    HA   LEU  21           HA       LEU  21  -5.804  -7.352 -24.959
  159    HB2  LEU  21           2HB      LEU  21  -6.538  -6.355 -22.210
  160    HB3  LEU  21           1HB      LEU  21  -7.669  -6.994 -23.389
  161    HG   LEU  21           HG       LEU  21  -5.415  -8.562 -22.118
  162   HD11  LEU  21          1HD1      LEU  21  -8.389  -8.652 -21.627
  163   HD12  LEU  21          2HD1      LEU  21  -7.183  -7.989 -20.522
  164   HD13  LEU  21          3HD1      LEU  21  -7.182  -9.712 -20.902
  165   HD21  LEU  21          3HD2      LEU  21  -7.665  -9.424 -23.935
  166   HD22  LEU  21          1HD2      LEU  21  -6.512 -10.500 -23.149
  167   HD23  LEU  21          2HD2      LEU  21  -5.956  -9.347 -24.364
  168    H    ALA  22           H        ALA  22  -6.791  -6.082 -26.368
  169    HA   ALA  22           HA       ALA  22  -6.722  -3.179 -25.933
  170    HB1  ALA  22           3HB      ALA  22  -7.190  -2.969 -28.307
  171    HB2  ALA  22           1HB      ALA  22  -7.385  -4.715 -28.447
  172    HB3  ALA  22           2HB      ALA  22  -5.806  -4.034 -28.055
  173    H    HIS  23           H        HIS  23  -8.813  -5.911 -26.193
  174    HA   HIS  23           HA       HIS  23 -10.953  -4.515 -24.973
  175    HB2  HIS  23           2HB      HIS  23 -12.623  -4.662 -26.695
  176    HB3  HIS  23           1HB      HIS  23 -11.253  -3.777 -27.346
  177    HD1  HIS  23           1HD      HIS  23 -13.552  -6.382 -28.183
  178    HD2  HIS  23           2HD      HIS  23  -9.543  -5.604 -29.001
  179    HE1  HIS  23           1HE      HIS  23 -12.983  -7.777 -30.195
  180    HE2  HIS  23           2HE      HIS  23 -10.620  -7.130 -30.799
  181    H    ALA  24           H        ALA  24 -12.326  -5.924 -23.954
  182    HA   ALA  24           HA       ALA  24 -11.601  -8.744 -24.118
  183    HB1  ALA  24           3HB      ALA  24 -13.433  -7.330 -22.187
  184    HB2  ALA  24           1HB      ALA  24 -11.729  -7.689 -21.912
  185    HB3  ALA  24           2HB      ALA  24 -12.894  -9.006 -22.072
  186    H    GLN  25           H        GLN  25 -14.223  -6.584 -24.841
  187    HA   GLN  25           HA       GLN  25 -15.885  -8.836 -25.723
  188    HB2  GLN  25           2HB      GLN  25 -17.000  -7.338 -24.172
  189    HB3  GLN  25           1HB      GLN  25 -16.591  -5.949 -25.168
  190    HG2  GLN  25           2HG      GLN  25 -18.893  -6.489 -25.512
  191    HG3  GLN  25           1HG      GLN  25 -18.003  -6.906 -26.976
  192   HE21  GLN  25          1HE2      GLN  25 -17.687  -9.092 -27.487
  193   HE22  GLN  25          2HE2      GLN  25 -18.662 -10.342 -26.773
  Start of MODEL   20
    1    H1   GLU   1           1HT      GLU   1  14.475   3.663 -19.626
    2    H2   GLU   1           2HT      GLU   1  12.896   4.117 -19.202
    3    H3   GLU   1           3HT      GLU   1  14.152   5.258 -19.146
    4    HA   GLU   1           HA       GLU   1  13.098   3.947 -21.591
    5    HB2  GLU   1           2HB      GLU   1  12.740   6.674 -20.393
    6    HB3  GLU   1           1HB      GLU   1  12.569   6.408 -22.123
    7    HG2  GLU   1           2HG      GLU   1  10.989   4.458 -21.237
    8    HG3  GLU   1           1HG      GLU   1  10.828   5.582 -19.888
    9    H    PHE   2           H        PHE   2  14.466   3.887 -23.221
   10    HA   PHE   2           HA       PHE   2  16.935   5.370 -23.146
   11    HB2  PHE   2           2HB      PHE   2  16.873   3.122 -24.111
   12    HB3  PHE   2           1HB      PHE   2  15.706   3.653 -25.313
   13    HD1  PHE   2           1HD      PHE   2  19.204   3.970 -24.196
   14    HD2  PHE   2           2HD      PHE   2  16.408   4.750 -27.311
   15    HE1  PHE   2           1HE      PHE   2  21.054   4.544 -25.710
   16    HE2  PHE   2           2HE      PHE   2  18.255   5.325 -28.829
   17    HZ   PHE   2           HZ       PHE   2  20.582   5.223 -28.028
   18    H    CYS   3           H        CYS   3  13.790   5.633 -24.634
   19    HA   CYS   3           HA       CYS   3  14.730   7.878 -26.228
   20    HB2  CYS   3           2HB      CYS   3  13.716   6.149 -27.544
   21    HB3  CYS   3           1HB      CYS   3  12.289   6.160 -26.516
   22    H    LEU   4           H        LEU   4  12.918   7.254 -23.441
   23    HA   LEU   4           HA       LEU   4  11.549   8.503 -22.108
   24    HB2  LEU   4           2HB      LEU   4  12.733  10.791 -23.689
   25    HB3  LEU   4           1HB      LEU   4  11.781  10.970 -22.226
   26    HG   LEU   4           HG       LEU   4  14.445   9.554 -22.394
   27   HD11  LEU   4          1HD1      LEU   4  13.747  12.254 -21.246
   28   HD12  LEU   4          2HD1      LEU   4  14.670  11.966 -22.721
   29   HD13  LEU   4          3HD1      LEU   4  15.322  11.466 -21.158
   30   HD21  LEU   4          3HD2      LEU   4  12.729  10.284 -20.026
   31   HD22  LEU   4          1HD2      LEU   4  14.326   9.537 -19.962
   32   HD23  LEU   4          2HD2      LEU   4  12.970   8.659 -20.667
   33    H    ASN   5           H        ASN   5  10.385   7.331 -24.299
   34    HA   ASN   5           HA       ASN   5   7.934   8.457 -24.738
   35    HB2  ASN   5           2HB      ASN   5   8.990  10.362 -25.856
   36    HB3  ASN   5           1HB      ASN   5   9.893   9.271 -26.909
   37   HD21  ASN   5          1HD2      ASN   5   8.656   7.944 -28.383
   38   HD22  ASN   5          2HD2      ASN   5   7.145   8.527 -29.010
   39    H    CYS   6           H        CYS   6  10.626   6.895 -26.416
   40    HA   CYS   6           HA       CYS   6   8.841   5.459 -28.157
   41    HB2  CYS   6           2HB      CYS   6  11.817   5.112 -27.799
   42    HB3  CYS   6           1HB      CYS   6  10.845   4.491 -29.126
   43    H    VAL   7           H        VAL   7   9.480   5.172 -25.080
   44    HA   VAL   7           HA       VAL   7   9.339   2.263 -25.110
   45    HB   VAL   7           HB       VAL   7  10.688   4.143 -23.181
   46   HG11  VAL   7          1HG1      VAL   7  10.997   2.237 -21.637
   47   HG12  VAL   7          2HG1      VAL   7   9.950   1.247 -22.653
   48   HG13  VAL   7          3HG1      VAL   7   9.294   2.651 -21.816
   49   HG21  VAL   7          3HG2      VAL   7  11.594   1.603 -24.544
   50   HG22  VAL   7          1HG2      VAL   7  12.581   2.657 -23.529
   51   HG23  VAL   7          2HG2      VAL   7  11.961   3.245 -25.073
   52    H    SER   8           H        SER   8   8.393   5.083 -23.117
   53    HA   SER   8           HA       SER   8   6.251   3.662 -21.873
   54    HB2  SER   8           2HB      SER   8   5.680   5.892 -20.904
   55    HB3  SER   8           1HB      SER   8   7.351   5.402 -20.629
   56    HG   SER   8           HG       SER   8   7.978   7.110 -21.662
   57    H    HIS   9           H        HIS   9   6.291   6.435 -24.109
   58    HA   HIS   9           HA       HIS   9   3.446   6.440 -24.389
   59    HB2  HIS   9           2HB      HIS   9   5.615   7.932 -25.869
   60    HB3  HIS   9           1HB      HIS   9   3.896   8.165 -26.172
   61    HD1  HIS   9           1HD      HIS   9   2.713   9.814 -24.721
   62    HD2  HIS   9           2HD      HIS   9   6.401   8.678 -23.159
   63    HE1  HIS   9           1HE      HIS   9   3.121  11.347 -22.763
   64    HE2  HIS   9           2HE      HIS   9   5.336  10.612 -21.793
   65    H    THR  10           H        THR  10   5.817   4.541 -25.742
   66    HA   THR  10           HA       THR  10   4.464   4.188 -28.290
   67    HB   THR  10           HB       THR  10   6.982   2.952 -27.183
   68    HG1  THR  10           1HG      THR  10   6.492   5.294 -28.283
   69   HG21  THR  10          3HG2      THR  10   5.868   1.400 -28.747
   70   HG22  THR  10          1HG2      THR  10   7.350   2.065 -29.441
   71   HG23  THR  10          2HG2      THR  10   5.778   2.692 -29.946
   72    H    ALA  11           H        ALA  11   5.179   2.366 -25.339
   73    HA   ALA  11           HA       ALA  11   4.120   0.656 -24.292
   74    HB1  ALA  11           3HB      ALA  11   1.801   0.185 -24.735
   75    HB2  ALA  11           1HB      ALA  11   1.887   1.038 -26.275
   76    HB3  ALA  11           2HB      ALA  11   2.071   1.926 -24.764
   77    H    SER  12           H        SER  12   3.816   0.341 -27.815
   78    HA   SER  12           HA       SER  12   3.540  -2.421 -27.990
   79    HB2  SER  12           2HB      SER  12   3.407  -0.606 -29.824
   80    HB3  SER  12           1HB      SER  12   5.149  -0.814 -29.961
   81    HG   SER  12           HG       SER  12   4.682  -2.420 -31.222
   82    H    TYR  13           H        TYR  13   6.415  -0.429 -27.778
   83    HA   TYR  13           HA       TYR  13   8.356  -2.382 -28.224
   84    HB2  TYR  13           2HB      TYR  13   8.853   0.003 -28.259
   85    HB3  TYR  13           1HB      TYR  13   8.493   0.123 -26.544
   86    HD1  TYR  13           1HD      TYR  13  10.839  -1.472 -28.960
   87    HD2  TYR  13           2HD      TYR  13  10.176  -0.228 -24.950
   88    HE1  TYR  13           1HE      TYR  13  13.194  -1.936 -28.436
   89    HE2  TYR  13           2HE      TYR  13  12.530  -0.689 -24.408
   90    HH   TYR  13           HH       TYR  13  14.388  -2.016 -25.218
   91    H    LEU  14           H        LEU  14   6.464  -1.658 -25.397
   92    HA   LEU  14           HA       LEU  14   8.106  -3.440 -23.748
   93    HB2  LEU  14           2HB      LEU  14   5.784  -1.653 -23.009
   94    HB3  LEU  14           1HB      LEU  14   6.678  -2.653 -21.881
   95    HG   LEU  14           HG       LEU  14   7.796  -0.328 -23.446
   96   HD11  LEU  14          1HD1      LEU  14   6.306   0.383 -21.676
   97   HD12  LEU  14          2HD1      LEU  14   7.978   0.742 -21.254
   98   HD13  LEU  14          3HD1      LEU  14   7.161  -0.635 -20.516
   99   HD21  LEU  14          3HD2      LEU  14   9.806  -0.642 -22.074
  100   HD22  LEU  14          1HD2      LEU  14   9.488  -2.040 -23.100
  101   HD23  LEU  14          2HD2      LEU  14   9.100  -2.101 -21.383
  102    H    ARG  15           H        ARG  15   5.982  -3.972 -25.966
  103    HA   ARG  15           HA       ARG  15   4.472  -5.558 -26.497
  104    HB2  ARG  15           2HB      ARG  15   5.545  -6.828 -23.972
  105    HB3  ARG  15           1HB      ARG  15   4.422  -7.631 -25.060
  106    HG2  ARG  15           2HG      ARG  15   6.029  -7.500 -26.868
  107    HG3  ARG  15           1HG      ARG  15   7.146  -6.614 -25.826
  108    HD2  ARG  15           2HD      ARG  15   7.401  -8.522 -24.390
  109    HD3  ARG  15           1HD      ARG  15   6.144  -9.403 -25.259
  110    HE   ARG  15           HE       ARG  15   7.973  -8.843 -27.186
  111   HH11  ARG  15          1HH1      ARG  15   8.240 -10.359 -24.023
  112   HH12  ARG  15          2HH1      ARG  15   9.523 -11.418 -24.539
  113   HH21  ARG  15          1HH2      ARG  15   9.661 -10.210 -27.814
  114   HH22  ARG  15          2HH2      ARG  15  10.339 -11.325 -26.657
  115    H    LEU  16           H        LEU  16   3.730  -3.252 -24.822
  116    HA   LEU  16           HA       LEU  16   1.406  -4.306 -23.380
  117    HB2  LEU  16           2HB      LEU  16   2.520  -1.499 -23.531
  118    HB3  LEU  16           1HB      LEU  16   1.121  -1.974 -22.590
  119    HG   LEU  16           HG       LEU  16   3.936  -2.958 -22.148
  120   HD11  LEU  16          1HD1      LEU  16   3.680  -0.635 -21.499
  121   HD12  LEU  16          2HD1      LEU  16   3.809  -1.659 -20.069
  122   HD13  LEU  16          3HD1      LEU  16   2.237  -1.033 -20.569
  123   HD21  LEU  16          3HD2      LEU  16   2.997  -3.939 -20.092
  124   HD22  LEU  16          1HD2      LEU  16   2.318  -4.655 -21.553
  125   HD23  LEU  16          2HD2      LEU  16   1.381  -3.478 -20.630
  126    H    TRP  17           H        TRP  17   2.018  -3.828 -26.400
  127    HA   TRP  17           HA       TRP  17  -0.718  -2.982 -26.984
  128    HB2  TRP  17           2HB      TRP  17   0.792  -1.046 -27.406
  129    HB3  TRP  17           1HB      TRP  17   1.703  -2.035 -28.540
  130    HD1  TRP  17           HD       TRP  17  -1.740  -0.387 -28.136
  131    HE1  TRP  17           1HE      TRP  17  -2.780  -0.069 -30.478
  132    HE3  TRP  17           3HE      TRP  17   1.777  -2.843 -30.910
  133    HZ2  TRP  17           2HZ      TRP  17  -2.168  -0.774 -33.137
  134    HZ3  TRP  17           3HZ      TRP  17   1.480  -2.969 -33.345
  135    HH2  TRP  17           HH       TRP  17  -0.454  -1.958 -34.436
  136    H    ALA  18           H        ALA  18   2.224  -4.101 -28.653
  137    HA   ALA  18           HA       ALA  18   0.632  -6.023 -30.156
  138    HB1  ALA  18           3HB      ALA  18   2.331  -4.753 -31.363
  139    HB2  ALA  18           1HB      ALA  18   2.716  -6.474 -31.369
  140    HB3  ALA  18           2HB      ALA  18   3.580  -5.382 -30.287
  141    H    LEU  19           H        LEU  19   0.651  -8.191 -29.803
  142    HA   LEU  19           HA       LEU  19   0.952 -10.182 -28.741
  143    HB2  LEU  19           2HB      LEU  19   3.650  -9.023 -28.013
  144    HB3  LEU  19           1HB      LEU  19   3.186 -10.702 -27.810
  145    HG   LEU  19           HG       LEU  19   3.416  -9.250 -30.451
  146   HD11  LEU  19          1HD1      LEU  19   5.575  -9.666 -29.395
  147   HD12  LEU  19          2HD1      LEU  19   5.354 -10.692 -30.811
  148   HD13  LEU  19          3HD1      LEU  19   5.158 -11.366 -29.193
  149   HD21  LEU  19          3HD2      LEU  19   1.688 -10.955 -30.526
  150   HD22  LEU  19          1HD2      LEU  19   2.788 -12.135 -29.813
  151   HD23  LEU  19          2HD2      LEU  19   3.106 -11.494 -31.425
  152    H    SER  20           H        SER  20  -0.213  -7.894 -27.368
  153    HA   SER  20           HA       SER  20   0.573  -8.224 -24.594
  154    HB2  SER  20           2HB      SER  20   0.104  -5.962 -25.426
  155    HB3  SER  20           1HB      SER  20  -1.536  -6.449 -25.849
  156    HG   SER  20           HG       SER  20  -1.632  -7.055 -23.492
  157    H    LEU  21           H        LEU  21  -1.426  -9.809 -26.704
  158    HA   LEU  21           HA       LEU  21  -3.028 -11.392 -26.472
  159    HB2  LEU  21           2HB      LEU  21  -2.203 -11.121 -23.603
  160    HB3  LEU  21           1HB      LEU  21  -3.565 -12.128 -24.046
  161    HG   LEU  21           HG       LEU  21  -1.668 -13.545 -23.837
  162   HD11  LEU  21          1HD1      LEU  21  -1.527 -14.514 -26.059
  163   HD12  LEU  21          2HD1      LEU  21  -2.173 -13.031 -26.767
  164   HD13  LEU  21          3HD1      LEU  21  -3.179 -14.017 -25.702
  165   HD21  LEU  21          3HD2      LEU  21  -0.239 -11.722 -25.777
  166   HD22  LEU  21          1HD2      LEU  21   0.400 -13.214 -25.086
  167   HD23  LEU  21          2HD2      LEU  21   0.075 -11.828 -24.047
  168    H    ALA  22           H        ALA  22  -5.144 -11.803 -24.956
  169    HA   ALA  22           HA       ALA  22  -6.493  -9.271 -24.429
  170    HB1  ALA  22           3HB      ALA  22  -7.552 -11.325 -26.366
  171    HB2  ALA  22           1HB      ALA  22  -6.960  -9.720 -26.785
  172    HB3  ALA  22           2HB      ALA  22  -8.421  -9.896 -25.813
  173    H    HIS  23           H        HIS  23  -7.105 -12.760 -24.767
  174    HA   HIS  23           HA       HIS  23  -8.725 -12.882 -22.421
  175    HB2  HIS  23           2HB      HIS  23  -8.650 -15.328 -22.744
  176    HB3  HIS  23           1HB      HIS  23  -9.124 -14.480 -24.207
  177    HD1  HIS  23           1HD      HIS  23  -7.850 -15.021 -26.277
  178    HD2  HIS  23           2HD      HIS  23  -5.877 -16.300 -22.839
  179    HE1  HIS  23           1HE      HIS  23  -5.876 -16.354 -27.079
  180    HE2  HIS  23           2HE      HIS  23  -4.605 -16.977 -24.989
  181    H    ALA  24           H        ALA  24  -8.197 -13.618 -20.394
  182    HA   ALA  24           HA       ALA  24  -5.376 -13.547 -19.698
  183    HB1  ALA  24           3HB      ALA  24  -6.167 -13.754 -17.379
  184    HB2  ALA  24           1HB      ALA  24  -7.816 -13.949 -17.968
  185    HB3  ALA  24           2HB      ALA  24  -6.960 -12.428 -18.232
  186    H    GLN  25           H        GLN  25  -7.897 -15.854 -20.214
  187    HA   GLN  25           HA       GLN  25  -6.056 -18.019 -19.496
  188    HB2  GLN  25           2HB      GLN  25  -8.054 -18.080 -18.137
  189    HB3  GLN  25           1HB      GLN  25  -9.071 -17.964 -19.565
  190    HG2  GLN  25           2HG      GLN  25  -8.363 -20.155 -20.293
  191    HG3  GLN  25           1HG      GLN  25  -7.234 -20.268 -18.947
  192   HE21  GLN  25          1HE2      GLN  25  -8.168 -22.124 -18.161
  193   HE22  GLN  25          2HE2      GLN  25  -9.710 -22.118 -17.349