*HEADER    ANTIMICROBIAL PROTEIN                   21-JAN-18   5Z5X              
*TITLE     HVF18 IN COMPLEX WITH LPS MICELLES                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDE FROM PROTHROMBIN;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: COAGULATION FACTOR II;                                      
*COMPND   5 EC: 3.4.21.5;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    THROMBIN C-TERMINAL PEPTIDE, SYNTHETIC PEPTIDE, LPS BINDING PEPTIDE,  
*KEYWDS   2 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    R.SARAVANAN,A.SCHMIDTCHEN                                             
*REVDAT   1   07-MAR-18 5Z5X    0                                                
# Restraints file 1: HVF18.upl
 
 2 VAL  H        3 PHE  H       3.90     2.00
 2 VAL  HA       3 PHE  H       3.80     2.00
 2 VAL  HB       3 PHE  H       4.30     2.00
 2 VAL  QQG      3 PHE  H       4.50     2.00
 3 PHE  HA       3 PHE  H       3.80     2.00
 3 PHE  HA       4 ARG  H       3.80     2.00
 3 PHE  QB       3 PHE  H       3.60     2.00
 3 PHE  QB       4 ARG  H       4.50     2.00
 3 PHE  QB       5 LEU  H       4.90     2.00
 3 PHE  H        4 ARG  H       3.90     2.00
 3 PHE  H        5 LEU  H       4.50     2.00
 4 ARG  H        5 LEU  H       3.90     2.00
 4 ARG  HA       4 ARG  H       4.25     2.00
 4 ARG  QB       4 ARG  H       4.50     2.00
 4 ARG  QB       5 LEU  H       4.40     2.00
 4 ARG  QD       4 ARG  H       4.50     2.00
 4 ARG  QD       5 LEU  H       4.95     2.00
 5 LEU  HA       5 LEU  H       4.50     2.00
 5 LEU  HA       6 LYS  H       4.00     2.00
 5 LEU  QB       5 LEU  H       3.90     2.00 
 5 LEU  QB       6 LYS  H       3.95     2.00
 5 LEU  QB       9 ILE  H       4.80     2.00   
 5 LEU  QQD      5 LEU  H       4.30     2.00
 5 LEU  QQD      6 LYS  H       4.80     2.00
 5 LEU  QQD      9 ILE  H       4.80     2.00 
 6 LYS  HA       6 LYS  H       3.70     2.00
 6 LYS  QD       6 LYS  H       3.70     2.00
 6 LYS  QE      10 GLN  H       4.90     2.00
 6 LYS  QD      10 GLN  H       5.30     2.00
 6 LYS  QE       6 LYS  H       4.10     2.00
 6 LYS  QG       6 LYS  H       3.70     2.00 
 7 LYS  HA       7 LYS  H       3.80     2.00
 7 LYS  HA       9 ILE  H       4.60     2.00
 7 LYS  HA       7 LYS  QZ      3.85     2.00
 7 LYS  QE       7 LYS  H       4.80     2.00
 7 LYS  QE       7 LYS  QZ      4.90     2.00
 7 LYS  QB       7 LYS  H       4.30     2.00
 7 LYS  QB       9 ILE  H       4.70     2.00 
 7 LYS  QB       7 LYS  QZ      4.90     2.00
 7 LYS  QG       7 LYS  H       4.20     2.00 
 8 TRP  HA       8 TRP  H       3.60     2.00
 8 TRP  HA       8 TRP  HD1     4.30     2.00
 8 TRP  HA       8 TRP  HE1     5.38     2.00 
 8 TRP  HA       9 ILE  H       3.80     2.00
 8 TRP  QB       8 TRP  H       3.80     2.00 
 8 TRP  QB       8 TRP  HD1     3.97     2.00  
 8 TRP  QB       8 TRP  HE1     5.15     2.00
 8 TRP  QB       9 ILE  H       4.30     2.00
 8 TRP  H        9 ILE  H       3.90     2.00
 9 ILE  H       10 GLN  H       3.90     2.00
 9 ILE  H       11 LYS  H       4.50     2.00
 9 ILE  HA       9 ILE  H       3.60     2.00
 9 ILE  HA      10 GLN  H       3.80     2.00
 9 ILE  HB       9 ILE  H       3.80     2.00 
 9 ILE  HB      11 LYS  H       4.20     2.00
 9 ILE  HB      13 ILE  H       4.80     2.00 
 9 ILE  QD1      9 ILE  H       3.80     2.00
 9 ILE  QD1     10 GLN  H       3.90     2.00
 9 ILE  QD1     12 VAL  H       4.80     2.00
 9 ILE  QD1     13 ILE  H       4.90     2.00
 9 ILE  QG1      9 ILE  H       3.80     2.00
 9 ILE  QG1     10 GLN  H       4.20     2.00
 9 ILE  QG2      9 ILE  H       3.80     2.00
 9 ILE  QG2     10 GLN  H       4.50     2.00
 9 ILE  QG2     12 VAL  H       5.00     2.00
 9 ILE  QG2     13 ILE  H       5.00     2.00
 9 ILE  HA      12 VAL  QB      4.80     2.00
 9 ILE  HA      12 VAL  H       4.80     2.00
10 GLN  HA      10 GLN  H       3.60     2.00
10 GLN  HA      14 ASP  H       5.10     2.00
10 GLN  QB      10 GLN  H       3.60     2.00 
10 GLN  QB      14 ASP  H       4.60     2.00
10 GLN  QG      10 GLN  H       4.30     2.00 
10 GLN  QB      14 ASP  H       4.80     2.00
10 GLN  QG      11 LYS  H       4.60     2.00
10 GLN  QG      14 ASP  H       4.60     2.00
10 GLN  H       12 VAL  H       4.90     2.00
10 GLN  HA      13 ILE  QB      4.20     2.00
10 GLN  H       11 LYS  H       3.90     2.00
11 LYS  HA      11 LYS  H       3.60     2.00
11 LYS  QB      11 LYS  H       3.60     2.00
11 LYS  QB      14 ASP  H       4.90     2.00
11 LYS  QD      13 ILE  H       4.90     2.00
11 LYS  H       13 ILE  H       4.50     2.00
11 LYS  HA      14 ASP  QB      3.80     2.00
12 VAL  H       13 ILE  H       3.90     2.00
12 VAL  H       14 ASP  H       4.50     2.00
12 VAL  HA      12 VAL  H       3.20     2.00
12 VAL  HA      13 ILE  H       3.80     2.00
12 VAL  HA      14 ASP  H       4.60     2.00
12 VAL  HA      15 GLN  H       4.34     2.00
12 VAL  HA      16 PHE  H       4.95     2.00
12 VAL  HA      15 GLN  QB      3.80     2.00
12 VAL  HB      12 VAL  H       3.70     2.00
12 VAL  HB      14 ASP  H       5.20     2.00
12 VAL  QG1     14 ASP  H       4.70     2.00
12 VAL  QG1     15 GLN  H       4.60     2.00
13 ILE  H       15 GLN  H       4.50     2.00
13 ILE  HA      13 ILE  H       3.68     2.00
13 ILE  HA      14 ASP  H       3.50     2.00
13 ILE  HA      16 PHE  H       3.65     2.00
13 ILE  HA      16 PHE  QB      3.80     2.00
13 ILE  HB      13 ILE  H       4.00     2.00
13 ILE  HB      14 ASP  H       4.30     2.00
13 ILE  HB      16 PHE  H       5.00     2.00
13 ILE  QG1     13 ILE  H       4.00     2.00
13 ILE  QG1     14 ASP  H       4.90     2.00
13 ILE  QG1     16 PHE  H       4.50     2.00
13 ILE  QG2     13 ILE  H       4.00     2.00
13 ILE  QG2     14 ASP  H       4.30     2.00
13 ILE  QG2     15 GLN  H       5.10     2.00
13 ILE  QG2     16 PHE  H       5.20     2.00
13 ILE  H       14 ASP  H       3.90     2.00
14 ASP  H       16 PHE  H       4.50     2.00
14 ASP  H       15 GLN  H       3.90     2.00
14 ASP  HA      14 ASP  H       3.68     2.00
14 ASP  HA      15 GLN  H       3.70     2.00
14 ASP  HA      16 PHE  H       4.80     2.00
14 ASP  QB      14 ASP  H       3.80     2.00
14 ASP  QB      15 GLN  H       4.20     2.00
14 ASP  QB      16 PHE  H       4.90     2.00
15 GLN  H       16 PHE  H       3.90     2.00
15 GLN  HA      15 GLN  H       3.68     2.00
15 GLN  QB      15 GLN  H       3.80     2.00
15 GLN  QB      16 PHE  H       4.50     2.00
15 GLN  QG      15 GLN  H       4.80     2.00
15 GLN  QG      16 PHE  H       4.60     2.00
15 GLN  HA      16 PHE  H       3.80     2.00  
16 PHE  HA      16 PHE  H       3.68     2.00    
16 PHE  HA      17 GLY  H       3.80     2.00
16 PHE  QB      16 PHE  H       3.80     2.00
16 PHE  QB      17 GLY  H       4.50     2.00
16 PHE  H       17 GLY  H       3.90     2.00
16 PHE  HA      16 PHE  HD1     4.50     2.00
16 PHE  QB      16 PHE  HD1     4.00     2.00
16 PHE  QB      16 PHE  HE1     4.60     2.00
17 GLY  H       18 GLU  H       3.90     2.00
17 GLY  QA      17 GLY  H       3.80     2.00
17 GLY  QA      18 GLU  H       4.50     2.00
17 GLY  QA      16 PHE  H       4.80     2.00
18 GLU  HA      18 GLU  H       4.20     2.00
18 GLU  QB      18 GLU  H       4.40     2.00
18 GLU  QG      18 GLU  H       4.60     2.00

# Restraints file 2: HVF18LPS.peaks
# Number of dimensions 2
# Number of peaks 339
#FORMAT cyana3D
#INAME 1 H
#INAME 2 h
#CYANAFORMAT Hh
   1   4.057   7.876 1 U           9.59e+05         0 e   0   94   93 0
   2   4.272   8.275 1 U           4.18e+06         0 e   0  135  134 0
   3   1.743   8.268 1 U           2.96e+06         0 e   0   37   35 0
   4   4.239   7.139 1 U           3.95e+05         0 e   0   36   40 0
   5   4.195   8.219 1 U           2.96e+06         0 e   0  148  147 0
   6   3.114   8.262 1 U           6.22e+05         0 e   0   39   35 0
   7   4.288   8.254 1 U           2.08e+06         0 e   0   36   35 0
   8   2.285   8.213 1 U           1.54e+06         0 e   0  117  112 0
   9   1.576   8.276 1 U            2.5e+06         0 e   0   50   55 0
  10   4.639   8.257 1 U           4.53e+06         0 e   0   15   35 0
  11   4.638   8.623 1 U           1.46e+06         0 e   0   15   14 0
  12   4.154   8.624 1 U           5.83e+06         0 e   0   11   14 0
  13   3.034   8.624 1 U           2.78e+06         0 e   0   17   14 0
  14   0.883   8.624 1 U           2.81e+06         0 e   0   13   14 0
  15   3.209   8.163 1 U           2.23e+06         0 e   0   88   85 0
  16   3.272   8.165 1 U           1.96e+06         0 e   0   87   85 0
  17   2.313   7.873 1 U            1.5e+06         0 e   0  165  162 0
  18   3.206   8.623 1 U           3.78e+05         0 e   0   16   14 0
  19   4.066   8.172 1 U            2.6e+06         0 e   0   49   48 0
  20   4.689   8.163 1 U           1.79e+06         0 e   0   86   85 0
  21   4.646   8.297 1 U           1.86e+06         0 e   0  154  153 0
  22   4.690   7.880 1 U           1.22e+06         0 e   0   86   93 0
  23   4.146   8.176 1 U           2.36e+06         0 e   0  139  138 0
  24   4.061   8.214 1 U           2.21e+06         0 e   0   94  112 0
  25   3.863   7.872 1 U           1.44e+06         0 e   0  161  162 0
  26   3.927   7.874 1 U           1.53e+06         0 e   0  160  162 0
  27   4.577   8.356 1 U           2.18e+06         0 e   0  145  144 0
  28   8.199   8.357 1 U           1.95e+06         0 e   0  147  144 0
  29   2.247   6.871 1 U           2.02e+06         0 e   0  117  116 0
  30   4.122   6.872 1 U           4.94e+05         0 e   0  113  116 0
  31   4.040   6.636 1 U           3.94e+05         0 e   0  148  150 0
  32   4.150   8.211 1 U              2e+06         0 e   0  113  112 0
  33   8.018   6.712 1 U           3.99e+05         0 e   0    0    0 0
  34   8.054   6.635 1 U           3.12e+05         0 e   0    0    0 0
  35   8.057   8.055 1 U            4.8e+07         0 e   0    0    0 0
  36   2.909   8.276 1 U           6.91e+05         0 e   0  120  118 0
  37   4.124   8.261 1 U           2.03e+06         0 e   0  119  118 0
  38   2.286   8.270 1 U           9.14e+05         0 e   0  117  118 0
  39   4.281   8.169 1 U           5.12e+06         0 e   0   56   55 0
  40   2.915   8.172 1 U           1.17e+06         0 e   0   66   64 0
  41   8.221   7.878 1 U           1.76e+06         0 e   0  159  162 0
  42   3.927   8.225 1 U           2.16e+06         0 e   0  160  159 0
  43   3.863   8.226 1 U           2.04e+06         0 e   0  161  159 0
  44   4.646   8.226 1 U            2.4e+06         0 e   0  154  159 0
  45   4.204   7.869 1 U           1.88e+06         0 e   0  163  162 0
  46   4.102   8.348 1 U           2.16e+06         0 e   0  139  144 0
  47   4.228   8.347 1 U           9.05e+05         0 e   0  135  144 0
  48   4.576   8.221 1 U           1.68e+06         0 e   0  145  147 0
  49   4.574   8.303 1 U           4.61e+05         0 e   0  145  153 0
  50   4.204   8.276 1 U            2.1e+06         0 e   0   65   64 0
  51   0.892   8.170 1 U           6.58e+06         0 e   0   51   48 0
  52   3.223   8.298 1 U           1.52e+06         0 e   0  155  153 0
  53   2.981   8.290 1 U           2.02e+06         0 e   0  156  153 0
  54   3.021   8.225 1 U            1.1e+06         0 e   0  156  159 0
  55   3.223   8.222 1 U           1.15e+06         0 e   0  155  159 0
  56   3.021   8.170 1 U              6e+05         0 e   0   17   48 0
  57   3.118   8.173 1 U           7.01e+05         0 e   0   39   48 0
  58   4.062   8.271 1 U           7.03e+05         0 e   0   49   55 0
  59   0.891   7.875 1 U           1.47e+06         0 e   0   51   93 0
  60   2.996   8.253 1 U            1.2e+06         0 e   0   17   35 0
  61   2.687   8.357 1 U           4.38e+06         0 e   0  146  144 0
  62   2.688   8.221 1 U           2.16e+06         0 e   0  146  147 0
  63   2.077   8.221 1 U           1.99e+06         0 e   0  152  147 0
  64   2.078   8.297 1 U           7.58e+05         0 e   0  152  153 0
  65   4.139   8.356 1 U           2.16e+06         0 e   0  113  144 0
  66   2.287   8.356 1 U           4.44e+05         0 e   0  117  144 0
  67   2.288   8.174 1 U           9.72e+05         0 e   0  117  138 0
  68   2.015   8.168 1 U           2.29e+06         0 e   0   62   55 0
  69   1.653   8.275 1 U           4.51e+06         0 e   0   57   55 0
  70   1.061   7.880 1 U           6.03e+05         0 e   0   98   93 0
  71   1.650   8.212 1 U           1.74e+06         0 e   0   57  112 0
  72   1.742   8.169 1 U           2.91e+06         0 e   0   37   48 0
  73   0.857   7.477 1 U           1.76e+06         0 e   0   51   92 0
  74   1.580   8.171 1 U           5.29e+06         0 e   0   54   48 0
  75   1.335   8.169 1 U           1.94e+06         0 e   0   70   64 0
  76   1.315   7.483 1 U           2.98e+05         0 e   0   97   92 0
  77   2.012   8.211 1 U           1.94e+06         0 e   0  122  147 0
  78   2.009   8.269 1 U           1.25e+06         0 e   0  122  118 0
  79   1.655   7.877 1 U           1.03e+06         0 e   0   57   93 0
  80   1.825   8.176 1 U           2.01e+06         0 e   0  141  138 0
  81   1.154   8.177 1 U           1.06e+06         0 e   0  143  138 0
  82   1.118   8.349 1 U           3.86e+05         0 e   0  143  144 0
  83   1.835   8.357 1 U           1.42e+06         0 e   0  141  144 0
  84   1.643   8.354 1 U           4.97e+05         0 e   0   63  144 0
  85   3.209   7.882 1 U           7.33e+05         0 e   0   88   93 0
  86   3.265   7.878 1 U           6.29e+05         0 e   0   87   93 0
  87   2.110   7.872 1 U           1.01e+06         0 e   0  164  162 0
  88   2.015   7.883 1 U           4.32e+05         0 e   0   68   93 0
  89   1.921   7.873 1 U           1.56e+06         0 e   0   95   93 0
  90   1.579   7.876 1 U           5.56e+05         0 e   0   54   93 0
  91   0.812   7.880 1 U           2.26e+06         0 e   0   96   93 0
  92   0.817   8.171 1 U           4.21e+06         0 e   0   96  138 0
  93   1.058   8.168 1 U           5.34e+05         0 e   0   98  138 0
  94   1.056   8.211 1 U           4.19e+05         0 e   0   98  112 0
  95   1.161   8.218 1 U           4.32e+05         0 e   0  143  147 0
  96   1.348   8.214 1 U           9.54e+05         0 e   0   97  112 0
  97   1.349   7.877 1 U           1.05e+06         0 e   0   97   93 0
  98   1.358   8.274 1 U            1.7e+06         0 e   0  136  134 0
  99   0.813   8.275 1 U            2.3e+06         0 e   0   96  134 0
 100   0.893   8.272 1 U           2.83e+06         0 e   0   51   55 0
 101   1.428   8.173 1 U           1.32e+06         0 e   0  142  138 0
 102   2.689   8.175 1 U           9.26e+05         0 e   0  146   48 0
 103   1.923   8.270 1 U           1.01e+06         0 e   0  114  118 0
 104   1.823   8.221 1 U            2.2e+06         0 e   0  149  147 0
 105   1.923   8.176 1 U           1.05e+06         0 e   0   95  138 0
 106   1.429   8.356 1 U           5.01e+05         0 e   0  142  144 0
 107   1.907   8.217 1 U           2.27e+06         0 e   0  114  112 0
 108   1.972   8.624 1 U           8.95e+05         0 e   0   12   14 0
 109   1.529   8.620 1 U           2.86e+05         0 e   0   54   14 0
 110   1.613   8.618 1 U            4.1e+05         0 e   0   57   14 0
 111   4.068   8.356 1 U            5.4e+05         0 e   0   49  144 0
 112   3.856   8.296 1 U            3.5e+05         0 e   0  161  153 0
 113   3.924   8.293 1 U           3.34e+05         0 e   0  160   55 0
 114   2.018   8.359 1 U           4.12e+05         0 e   0   62  144 0
 115   1.820   8.296 1 U           1.06e+06         0 e   0  149  153 0
 116   1.914   8.354 1 U           4.17e+05         0 e   0  114  144 0
 117   0.873   8.357 1 U            2.1e+06         0 e   0  137  144 0
 118   0.886   8.218 1 U           3.04e+06         0 e   0  137  147 0
 119   0.814   8.214 1 U           3.21e+06         0 e   0   96  112 0
 120   4.240   8.214 1 U           1.27e+06         0 e   0  135  147 0
 121   1.741   7.879 1 U           1.54e+06         0 e   0  149  162 0
 122   1.708   7.478 1 U           3.08e+05         0 e   0   37   92 0
 123   1.606   7.476 1 U           5.57e+05         0 e   0   57   92 0
 124   0.777   7.476 1 U           1.35e+06         0 e   0   96   92 0
 125   2.912   7.152 1 U           2.83e+05         0 e   0   66   40 0
 126   3.197   7.144 1 U              4e+05         0 e   0   16   40 0
 127   1.524   7.139 1 U           6.76e+05         0 e   0   41   40 0
 128   3.118   7.151 1 U           1.41e+06         0 e   0   39   40 0
 129   1.704   7.138 1 U           5.99e+05         0 e   0   37   40 0
 130   1.624   7.140 1 U           7.11e+05         0 e   0   38   40 0
 131   0.858   7.138 1 U           2.29e+06         0 e   0   51   40 0
 132   2.686   6.878 1 U           2.49e+05         0 e   0  146  116 0
 133   2.685   6.799 1 U           3.06e+05         0 e   0  146  150 0
 134   2.044   6.794 1 U           1.27e+06         0 e   0  152  150 0
 135   1.977   6.869 1 U           4.07e+05         0 e   0   68  116 0
 136   1.887   6.869 1 U           3.15e+05         0 e   0   95  116 0
 137   1.797   6.870 1 U           3.16e+05         0 e   0  141  116 0
 138   1.596   6.870 1 U           4.92e+05         0 e   0  123  116 0
 139   1.608   6.796 1 U           4.52e+05         0 e   0  123  150 0
 140   0.783   6.794 1 U           4.59e+05         0 e   0  137  150 0
 141   0.780   6.870 1 U              1e+06         0 e   0  137  116 0
 142   4.653   7.211 1 U           1.66e+06         0 e   0   86   89 0
 143   4.270   7.222 1 U           8.47e+05         0 e   0  135   89 0
 144   4.204   7.218 1 U           9.54e+05         0 e   0   56   89 0
 145   4.141   7.219 1 U           5.33e+05         0 e   0  119   89 0
 146   4.061   7.221 1 U           6.03e+05         0 e   0   94   89 0
 147   3.277   7.217 1 U           1.74e+06         0 e   0   87   89 0
 148   3.209   7.220 1 U            2.1e+06         0 e   0   88   89 0
 149   3.114   7.218 1 U            3.5e+05         0 e   0   39   89 0
 150   2.865   7.056 1 U           4.28e+05         0 e   0    0    0 0
 151   2.890   7.208 1 U           8.03e+05         0 e   0   58   89 0
 152   2.681   7.222 1 U           2.51e+05         0 e   0  146   89 0
 153   2.257   7.211 1 U           4.38e+05         0 e   0  117   89 0
 154   1.971   7.213 1 U           4.99e+05         0 e   0  122   89 0
 155   1.879   7.213 1 U           3.81e+05         0 e   0   95   89 0
 156   1.742   7.218 1 U              1e+06         0 e   0   37   89 0
 157   1.653   7.219 1 U           2.51e+06         0 e   0   63   89 0
 158   1.313   7.212 1 U           1.07e+06         0 e   0   97   89 0
 159   0.999   7.056 1 U           3.65e+05         0 e   0    0    0 0
 160   1.025   7.213 1 U           4.26e+05         0 e   0   98   89 0
 161   0.857   7.213 1 U           3.25e+06         0 e   0   51   89 0
 162   0.777   7.213 1 U           2.47e+06         0 e   0   96   89 0
 163   4.645   7.341 1 U           1.91e+06         0 e   0  154  158 0
 164   4.285   7.341 1 U           1.05e+06         0 e   0  135  158 0
 165   4.064   7.276 1 U           1.14e+06         0 e   0   49   18 0
 166   3.218   7.341 1 U           1.49e+06         0 e   0  155  158 0
 167   2.991   7.333 1 U           2.12e+06         0 e   0  156  158 0
 168   2.989   7.269 1 U           5.37e+06         0 e   0   17   18 0
 169   2.879   7.270 1 U           1.26e+06         0 e   0  120   18 0
 170   2.689   7.342 1 U           4.32e+05         0 e   0  146  158 0
 171   2.689   7.275 1 U           7.65e+05         0 e   0  146  157 0
 172   2.257   7.333 1 U           5.46e+05         0 e   0  117  158 0
 173   2.262   7.270 1 U           9.37e+05         0 e   0  117   18 0
 174   1.852   7.112 1 U           1.04e+06         0 e   0   68   18 0
 175   1.660   7.112 1 U           1.43e+06         0 e   0  141  157 0
 176   1.708   7.269 1 U           1.64e+06         0 e   0   37   18 0
 177   1.605   7.269 1 U           2.66e+06         0 e   0   63   18 0
 178   1.421   7.341 1 U           4.52e+05         0 e   0  140  158 0
 179   1.121   7.335 1 U           6.92e+05         0 e   0  143  158 0
 180   0.851   7.269 1 U           9.38e+06         0 e   0   13   18 0
 181  10.111  10.152 1 U            2.7e+07         0 e   0   90   90 0
 182   8.273  10.159 1 U           3.21e+05         0 e   0   55   90 0
 183   8.167  10.160 1 U           7.07e+05         0 e   0   48   90 0
 184   7.326   7.320 1 U           2.49e+07         0 e   0    0    0 0
 185   4.685  10.161 1 U           4.43e+05         0 e   0   86   90 0
 186   4.278  10.159 1 U           3.39e+05         0 e   0   65   90 0
 187   4.209  10.161 1 U           4.09e+05         0 e   0   56   90 0
 188   3.260  10.159 1 U           2.73e+05         0 e   0   87   90 0
 189   3.207  10.162 1 U           4.97e+05         0 e   0   88   90 0
 190   2.914  10.160 1 U           4.07e+05         0 e   0   66   90 0
 191   1.348  10.160 1 U           4.86e+05         0 e   0   97   90 0
 192   0.895  10.160 1 U           1.65e+06         0 e   0   51   90 0
 193   0.815  10.160 1 U           1.11e+06         0 e   0   96   90 0
 194   8.255   8.625 1 U           7.47e+05         0 e   0   35   14 0
 195   8.534   8.621 1 U           4.31e+05         0 e   0   10   14 0
 196   8.161   8.625 1 U           2.23e+05         0 e   0   48   14 0
 197   8.312   8.292 1 U           1.04e+06         0 e   0  144  153 0
 198   8.057   8.055 1 U            4.8e+07         0 e   0    0    0 0
 199   8.232   8.296 1 U           4.44e+06         0 e   0  159  153 0
 200   8.196   8.058 1 U           1.45e+06         0 e   0    0    0 0
 201   8.342   8.179 1 U           1.62e+06         0 e   0  144  138 0
 202   8.105   8.103 1 U           3.67e+07         0 e   0    0    0 0
 203   8.255   8.350 1 U           1.28e+06         0 e   0  134  144 0
 204   7.880   8.214 1 U           1.75e+06         0 e   0   93  112 0
 205   8.268   8.213 1 U           3.17e+06         0 e   0  153  147 0
 206   8.007   8.004 1 U           5.56e+07         0 e   0    0    0 0
 207   8.134   8.214 1 U           7.72e+06         0 e   0  138  147 0
 208   8.057   8.055 1 U            4.8e+07         0 e   0    0    0 0
 209   8.268   8.167 1 U           4.76e+06         0 e   0   35   48 0
 210   8.174   8.271 1 U           4.21e+06         0 e   0  138  118 0
 211   7.879   8.163 1 U           1.54e+06         0 e   0   93   85 0
 212   8.162   7.880 1 U           1.71e+06         0 e   0   85   93 0
 213   7.869   8.275 1 U           5.26e+05         0 e   0   93  118 0
 214   8.225   8.211 1 U           5.79e+06         0 e   0  134  112 0
 215   4.216   8.172 1 U           4.46e+06         0 e   0  135  138 0
 216   4.201   8.299 1 U           2.02e+06         0 e   0  148  153 0
 217   4.268   8.296 1 U           1.94e+06         0 e   0  135  153 0
 218   4.485   0.728 1 U           1.79e+06         0 e   0  154  137 0
 219   2.247   6.798 1 U           2.11e+05         0 e   0  117  150 0
 220   1.887   3.741 1 U           1.61e+06         0 e   0    0    0 0
 221   3.769   2.530 1 U           1.59e+05         0 e   0  160  146 0
 222   3.769   2.852 1 U              2e+05         0 e   0    0    0 0
 223   3.050   3.989 1 U           7.01e+05         0 e   0    0    0 0
 224   3.986   3.053 1 U           7.55e+05         0 e   0  139  155 0
 225   3.989   2.859 1 U           9.44e+05         0 e   0  139  156 0
 226   4.146   7.339 1 U           1.08e+06         0 e   0  139  158 0
 227   1.428   7.278 1 U           7.49e+05         0 e   0  140  157 0
 228   4.160   8.273 1 U           1.97e+06         0 e   0  139  153 0
 229   1.837   4.099 1 U           7.57e+05         0 e   0    0    0 0
 230   1.906   4.104 1 U           3.48e+05         0 e   0    0    0 0
 231   4.113   1.919 1 U           4.11e+05         0 e   0  135  152 0
 232   4.117   1.657 1 U           6.01e+05         0 e   0    0    0 0
 233   1.667   1.669 1 U           1.98e+07         0 e   0    0    0 0
 234   4.117   1.677 1 U           3.94e+05         0 e   0  135  149 0
 235   2.529   3.982 1 U              7e+05         0 e   0  146  119 0
 236   3.984   2.528 1 U           9.36e+05         0 e   0    0    0 0
 237   1.670   3.982 1 U           1.83e+06         0 e   0  141  113 0
 238   0.833   6.870 1 U           1.32e+06         0 e   0  143  116 0
 239   1.857   1.856 1 U           2.97e+07         0 e   0    0    0 0
 240   4.582   1.836 1 U           3.66e+05         0 e   0   86  122 0
 241   1.202   1.205 1 U           3.73e+07         0 e   0  136  136 0
 242   3.901   1.205 1 U           5.65e+05         0 e   0   94  136 0
 243   3.989   3.987 1 U           6.33e+07         0 e   0    0    0 0
 244   3.992   4.004 1 U           4.02e+07         0 e   0    0    0 0
 245   4.134   7.872 1 U           3.56e+05         0 e   0   65   93 0
 246   2.908   8.627 1 U           2.19e+05         0 e   0   66   14 0
 247   3.088   7.331 1 U            4.1e+05         0 e   0   39  158 0
 248   3.117   7.276 1 U           7.97e+05         0 e   0   39   18 0
 249   2.527   2.527 1 U           5.69e+07         0 e   0    0    0 0
 250   4.001   2.527 1 U           7.67e+05         0 e   0    0    0 0
 251   3.049   3.047 1 U           5.91e+07         0 e   0    0    0 0
 252   3.120   3.133 1 U           4.86e+06         0 e   0   87    0 0
 253   7.054   3.107 1 U           1.03e+06         0 e   0    0    0 0
 254   4.053   3.108 1 U           3.91e+05         0 e   0    0    0 0
 255   2.690   8.306 1 U            6.1e+05         0 e   0  146  153 0
 256   1.744   8.357 1 U           4.16e+05         0 e   0   37  144 0
 257   0.878   8.408 1 U           6.62e+05         0 e   0   13   10 0
 258   2.688   8.273 1 U           6.09e+05         0 e   0  146  118 0
 259   8.369   8.403 1 U           9.23e+07         0 e   0    0    0 0
 260   2.889   8.209 1 U           5.38e+05         0 e   0    0    0 0
 261   4.236   8.615 1 U           4.83e+05         0 e   0    0    0 0
 262   4.118   6.870 1 U           5.22e+05         0 e   0    0    0 0
 263   7.217  10.160 1 U           6.44e+06         0 e   0   89   90 0
 264   7.485  10.160 1 U           2.53e+06         0 e   0   92   90 0
 265   4.690   7.605 1 U           6.63e+05         0 e   0   86   91 0
 266   4.235   7.598 1 U           4.02e+05         0 e   0   36   91 0
 267   4.142   7.610 1 U           3.22e+05         0 e   0   65   91 0
 268   4.062   7.612 1 U           6.42e+05         0 e   0   94   91 0
 269   3.237   7.599 1 U           1.06e+06         0 e   0   87   91 0
 270   3.174   7.603 1 U           1.04e+06         0 e   0   88   91 0
 271   2.255   7.598 1 U           2.28e+05         0 e   0    0    0 0
 272   1.975   7.604 1 U              3e+05         0 e   0    0    0 0
 273   1.704   7.597 1 U           5.32e+05         0 e   0   41   91 0
 274   1.613   7.598 1 U           6.24e+05         0 e   0   44   91 0
 275   1.544   7.605 1 U           5.32e+05         0 e   0    0    0 0
 276   1.313   7.598 1 U           6.92e+05         0 e   0   97   91 0
 277   1.023   7.606 1 U           4.24e+05         0 e   0   98   91 0
 278   0.863   7.599 1 U           1.85e+06         0 e   0   51   91 0
 279   0.777   7.603 1 U           1.75e+06         0 e   0   96   91 0
 280   4.653   7.211 1 U           1.66e+06         0 e   0    0    0 0
 281   2.048   7.212 1 U            3.2e+05         0 e   0    0    0 0
 282   1.632  10.160 1 U           1.17e+06         0 e   0  141   90 0
 283   1.624   8.166 1 U           6.18e+06         0 e   0    0    0 0
 284   1.739   8.212 1 U           1.77e+06         0 e   0    0    0 0
 285   2.070   8.358 1 U           4.68e+05         0 e   0  136  144 0
 286   1.859   8.288 1 U           8.46e+05         0 e   0    0    0 0
 287   1.354   8.355 1 U           2.95e+05         0 e   0  124  144 0
 288   1.393   8.207 1 U           5.82e+05         0 e   0  142  147 0
 289   1.605   7.523 1 U           4.93e+05         0 e   0    0    0 0
 290   0.835   7.525 1 U           1.15e+06         0 e   0   51  115 0
 291   4.117   7.522 1 U           4.75e+05         0 e   0  113  115 0
 292   2.246   7.525 1 U            2.6e+06         0 e   0  117  115 0
 293   2.077   7.416 1 U           1.53e+06         0 e   0  152  151 0
 294   4.165   7.409 1 U           4.36e+05         0 e   0  148  151 0
 295   0.781   7.407 1 U            5.1e+05         0 e   0    0    0 0
 296   0.780   7.525 1 U           9.92e+05         0 e   0    0    0 0
 297   0.853   7.407 1 U           8.78e+05         0 e   0   51  151 0
 298   1.603   7.408 1 U           3.94e+05         0 e   0  123  151 0
 299   7.233   8.618 1 U           1.11e+06         0 e   0    0    0 0
 300   4.643   7.277 1 U           4.81e+06         0 e   0   15   18 0
 301   4.215   7.342 1 U            9.1e+05         0 e   0  148  158 0
 302   4.064   7.343 1 U           6.94e+05         0 e   0   94  158 0
 303   2.877   7.334 1 U           7.32e+05         0 e   0  120  158 0
 304   2.889   7.212 1 U           8.26e+05         0 e   0    0    0 0
 305   2.079   7.345 1 U            7.8e+05         0 e   0  152  158 0
 306   1.612   7.333 1 U           1.51e+06         0 e   0  123  158 0
 307   4.235   7.269 1 U           1.99e+06         0 e   0   36   18 0
 308   4.170   7.269 1 U           1.84e+06         0 e   0    0    0 0
 309  -0.002   0.003 1 U           2.99e+07         0 e   0    0    0 0
 310   1.743  10.160 1 U           4.71e+05         0 e   0   37   90 0
 311   2.917   7.876 1 U           2.79e+05         0 e   0   66   93 0
 312   3.019   7.872 1 U           2.64e+05         0 e   0  156  162 0
 313   2.689   7.872 1 U           2.11e+05         0 e   0  146  162 0
 314   2.015  10.160 1 U            2.3e+05         0 e   0   62   90 0
 315   2.294  10.161 1 U           2.08e+05         0 e   0  117   90 0
 316   3.034  10.159 1 U           1.73e+05         0 e   0   20   90 0
 317   3.118  10.160 1 U           1.54e+05         0 e   0    0    0 0
 318   4.065  10.160 1 U           2.46e+05         0 e   0   94   76 0
 319   1.814  10.159 1 U           2.11e+05         0 e   0    0    0 0
 320   4.152  10.158 1 U           2.79e+05         0 e   0    0    0 0
 321   4.279   8.221 1 U           1.27e+06         0 e   0   56  112 0
 322   4.057   3.270 1 U           2.09e+05         0 e   0   49   73 0
 323   4.061   3.218 1 U           3.59e+05         0 e   0   94   87 0
 324   2.074   8.273 1 U           4.76e+05         0 e   0  136  134 0
 325   2.083   8.171 1 U           6.05e+05         0 e   0  136  138 0
 326   3.215   4.071 1 U            3.9e+05         0 e   0   88   49 0
 327   4.267   4.270 1 U            6.1e+07         0 e   0    0    0 0
 328   1.909   4.204 1 U           2.92e+06         0 e   0    0    0 0
 329   1.922   4.268 1 U            5.7e+05         0 e   0  114   65 0
 330   8.621   8.172 1 U           2.25e+05         0 e   0   14   48 0
 331   8.618   8.260 1 U           5.92e+05         0 e   0   14   35 0
 332   4.576   8.171 1 U           4.91e+05         0 e   0    0    0 0
 333   4.274   7.875 1 U           4.96e+05         0 e   0    0    0 0
 334   8.360   8.221 1 U           1.48e+06         0 e   0    0    0 0
 335   8.266   8.269 1 U           3.68e+07         0 e   0    0    0 0
 336   8.218   8.221 1 U           4.79e+07         0 e   0    0    0 0
 337   8.528   7.931 1 U           -9.7e+03         0 e   0    0    0 0
 338   1.351   7.277 1 U           1.37e+06         0 e   0    0    0 0
 339   2.081   7.278 1 U           1.38e+06         0 e   0    0    0 0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   HIS   1           H        HIS   1   1.807   0.000   0.855
    2    HA   HIS   1           HA       HIS   1   1.410   0.201  -2.053
    3    HB2  HIS   1          2HB       HIS   1   3.531   1.195  -0.199
    4    HB3  HIS   1          3HB       HIS   1   3.978   0.809  -1.859
    5    HD1  HIS   1           HD1      HIS   1   0.661   2.347  -1.002
    6    HD2  HIS   1           HD2      HIS   1   4.323   3.455  -2.620
    7    HE1  HIS   1           HE1      HIS   1   0.315   4.660  -1.927
    8    H    VAL   2           H        VAL   2   2.933  -1.645   0.493
    9    HA   VAL   2           HA       VAL   2   4.596  -3.260  -1.124
   10    HB   VAL   2           HB       VAL   2   3.352  -3.931   1.548
   11   HG11  VAL   2          1HG1      VAL   2   5.684  -5.263   1.509
   12   HG12  VAL   2          2HG1      VAL   2   4.154  -5.969   0.985
   13   HG13  VAL   2          3HG1      VAL   2   5.280  -5.317  -0.207
   14   HG21  VAL   2          3HG2      VAL   2   5.221  -1.945   0.892
   15   HG22  VAL   2          1HG2      VAL   2   4.791  -2.530   2.499
   16   HG23  VAL   2          2HG2      VAL   2   6.143  -3.255   1.629
   17    H    PHE   3           H        PHE   3   1.590  -4.231   0.537
   18    HA   PHE   3           HA       PHE   3   1.021  -6.002  -1.749
   19    HB2  PHE   3          2HB       PHE   3   1.463  -6.734   0.918
   20    HB3  PHE   3          3HB       PHE   3  -0.282  -6.835   0.700
   21    HD1  PHE   3           HD1      PHE   3   2.793  -8.507   0.289
   22    HD2  PHE   3           HD2      PHE   3  -1.090  -8.119  -1.410
   23    HE1  PHE   3           HE1      PHE   3   3.063 -10.688  -0.819
   24    HE2  PHE   3           HE2      PHE   3  -0.827 -10.299  -2.519
   25    HZ   PHE   3           HZ       PHE   3   1.252 -11.587  -2.224
   26    H    ARG   4           H        ARG   4  -0.629  -4.543   1.060
   27    HA   ARG   4           HA       ARG   4  -2.767  -3.666  -0.754
   28    HB2  ARG   4          2HB       ARG   4  -3.381  -5.768   0.520
   29    HB3  ARG   4          3HB       ARG   4  -3.296  -4.805   1.989
   30    HG2  ARG   4          2HG       ARG   4  -5.574  -4.924   1.354
   31    HG3  ARG   4          3HG       ARG   4  -5.019  -3.289   0.988
   32    HD2  ARG   4          2HD       ARG   4  -5.515  -3.536  -1.166
   33    HD3  ARG   4          3HD       ARG   4  -4.585  -5.031  -1.260
   34    HE   ARG   4           HE       ARG   4  -6.548  -6.184  -1.192
   35   HH11  ARG   4          1HH1      ARG   4  -7.087  -3.002   0.112
   36   HH12  ARG   4          2HH1      ARG   4  -8.798  -3.220   0.284
   37   HH21  ARG   4          2HH2      ARG   4  -9.770  -5.201  -0.331
   38   HH22  ARG   4          1HH2      ARG   4  -8.798  -6.484  -0.971
   39    H    LEU   5           H        LEU   5  -1.448  -3.388   2.539
   40    HA   LEU   5           HA       LEU   5  -1.316  -0.548   2.381
   41    HB2  LEU   5          2HB       LEU   5  -3.754  -1.718   3.329
   42    HB3  LEU   5          3HB       LEU   5  -2.961  -0.857   4.646
   43    HG   LEU   5           HG       LEU   5  -3.186   0.606   2.090
   44   HD11  LEU   5          1HD1      LEU   5  -5.623   0.476   3.808
   45   HD12  LEU   5          2HD1      LEU   5  -5.382  -0.717   2.533
   46   HD13  LEU   5          3HD1      LEU   5  -5.455   0.999   2.132
   47   HD21  LEU   5          3HD2      LEU   5  -2.479   2.113   3.581
   48   HD22  LEU   5          1HD2      LEU   5  -2.971   1.119   4.953
   49   HD23  LEU   5          2HD2      LEU   5  -4.151   2.150   4.142
   50    H    LYS   6           H        LYS   6  -0.190   0.376   4.121
   51    HA   LYS   6           HA       LYS   6   1.000  -1.581   5.976
   52    HB2  LYS   6          2HB       LYS   6   2.921   0.163   6.018
   53    HB3  LYS   6          3HB       LYS   6   2.790  -0.927   4.644
   54    HG2  LYS   6          2HG       LYS   6   3.252   1.236   3.793
   55    HG3  LYS   6          3HG       LYS   6   1.560   0.884   3.433
   56    HD2  LYS   6          2HD       LYS   6   1.821   3.170   4.239
   57    HD3  LYS   6          3HD       LYS   6   0.874   2.208   5.377
   58    HE2  LYS   6          2HE       LYS   6   2.336   2.594   7.007
   59    HE3  LYS   6          3HE       LYS   6   3.674   2.034   6.005
   60    HZ1  LYS   6          3HZ       LYS   6   3.534   4.499   6.876
   61    HZ2  LYS   6          1HZ       LYS   6   2.608   4.703   5.474
   62    HZ3  LYS   6          2HZ       LYS   6   4.196   4.132   5.363
   63    H    LYS   7           H        LYS   7  -1.209   0.764   5.896
   64    HA   LYS   7           HA       LYS   7  -0.390   2.174   8.310
   65    HB2  LYS   7          2HB       LYS   7  -1.539   3.267   6.293
   66    HB3  LYS   7          3HB       LYS   7  -3.012   2.495   6.863
   67    HG2  LYS   7          2HG       LYS   7  -3.349   4.158   8.278
   68    HG3  LYS   7          3HG       LYS   7  -1.803   3.825   9.062
   69    HD2  LYS   7          2HD       LYS   7  -1.985   5.423   6.523
   70    HD3  LYS   7          3HD       LYS   7  -2.168   6.172   8.111
   71    HE2  LYS   7          2HE       LYS   7   0.029   6.079   8.521
   72    HE3  LYS   7          3HE       LYS   7   0.152   4.419   7.940
   73    HZ1  LYS   7          3HZ       LYS   7   0.592   5.101   5.810
   74    HZ2  LYS   7          1HZ       LYS   7   1.356   6.327   6.690
   75    HZ3  LYS   7          2HZ       LYS   7  -0.163   6.603   5.999
   76    H    TRP   8           H        TRP   8  -2.595  -0.318   7.271
   77    HA   TRP   8           HA       TRP   8  -4.336  -0.354   9.464
   78    HB2  TRP   8          2HB       TRP   8  -3.989  -1.857   7.143
   79    HB3  TRP   8          3HB       TRP   8  -3.756  -3.016   8.449
   80    HD1  TRP   8           HD1      TRP   8  -5.870  -3.750   9.821
   81    HE1  TRP   8           HE1      TRP   8  -8.393  -3.315   9.555
   82    HE3  TRP   8           HE3      TRP   8  -5.686   0.008   6.360
   83    HZ2  TRP   8           HZ2      TRP   8 -10.082  -1.606   8.073
   84    HZ3  TRP   8           HZ3      TRP   8  -7.800   0.988   5.570
   85    HH2  TRP   8           HH2      TRP   8  -9.951   0.196   6.410
   86    H    ILE   9           H        ILE   9  -1.043  -1.258   9.208
   87    HA   ILE   9           HA       ILE   9  -0.994  -1.995  12.007
   88    HB   ILE   9           HB       ILE   9   0.483  -4.045  11.343
   89   HG12  ILE   9          2HG1      ILE   9  -0.392  -5.183   9.308
   90   HG13  ILE   9          3HG1      ILE   9  -1.300  -3.727   8.919
   91   HG21  ILE   9          1HG2      ILE   9  -1.199  -5.217  12.216
   92   HG22  ILE   9          2HG2      ILE   9  -2.123  -3.716  12.198
   93   HG23  ILE   9          3HG2      ILE   9  -2.260  -4.852  10.856
   94   HD11  ILE   9          3HD1      ILE   9   0.657  -2.501   8.493
   95   HD12  ILE   9          1HD1      ILE   9   1.681  -3.723   9.245
   96   HD13  ILE   9          2HD1      ILE   9   0.887  -4.063   7.707
   97    H    GLN  10           H        GLN  10   0.056   0.179  10.439
   98    HA   GLN  10           HA       GLN  10   2.697   0.012   9.694
   99    HB2  GLN  10          2HB       GLN  10   2.791   2.333   9.857
  100    HB3  GLN  10          3HB       GLN  10   1.071   2.025   9.657
  101    HG2  GLN  10          2HG       GLN  10   0.775   2.223  12.089
  102    HG3  GLN  10          3HG       GLN  10   2.491   2.597  12.249
  103   HE21  GLN  10          2HE2      GLN  10   1.111   5.875  12.287
  104   HE22  GLN  10          1HE2      GLN  10   1.469   4.520  13.297
  105    H    LYS  11           H        LYS  11   1.342  -0.142  12.874
  106    HA   LYS  11           HA       LYS  11   3.672   0.519  14.348
  107    HB2  LYS  11          2HB       LYS  11   2.500  -0.631  16.234
  108    HB3  LYS  11          3HB       LYS  11   1.537   0.609  15.441
  109    HG2  LYS  11          2HG       LYS  11  -0.063  -0.950  15.430
  110    HG3  LYS  11          3HG       LYS  11   0.809  -1.599  14.039
  111    HD2  LYS  11          2HD       LYS  11   0.565  -3.464  15.392
  112    HD3  LYS  11          3HD       LYS  11   2.179  -2.895  15.821
  113    HE2  LYS  11          2HE       LYS  11   1.452  -2.009  17.856
  114    HE3  LYS  11          3HE       LYS  11  -0.237  -2.000  17.354
  115    HZ1  LYS  11          3HZ       LYS  11   0.627  -3.814  18.971
  116    HZ2  LYS  11          1HZ       LYS  11   1.186  -4.562  17.561
  117    HZ3  LYS  11          2HZ       LYS  11  -0.462  -4.233  17.747
  118    H    VAL  12           H        VAL  12   2.288  -2.570  13.284
  119    HA   VAL  12           HA       VAL  12   4.208  -4.231  14.505
  120    HB   VAL  12           HB       VAL  12   2.468  -4.698  12.084
  121   HG11  VAL  12          1HG1      VAL  12   4.218  -6.630  13.598
  122   HG12  VAL  12          2HG1      VAL  12   2.972  -7.106  12.443
  123   HG13  VAL  12          3HG1      VAL  12   4.363  -6.164  11.904
  124   HG21  VAL  12          3HG2      VAL  12   0.915  -4.744  13.710
  125   HG22  VAL  12          1HG2      VAL  12   1.579  -6.341  14.057
  126   HG23  VAL  12          2HG2      VAL  12   2.114  -4.942  14.988
  127    H    ILE  13           H        ILE  13   3.967  -3.031  11.160
  128    HA   ILE  13           HA       ILE  13   6.401  -4.184  10.292
  129    HB   ILE  13           HB       ILE  13   4.614  -3.451   8.746
  130   HG12  ILE  13          2HG1      ILE  13   7.178  -1.969   8.160
  131   HG13  ILE  13          3HG1      ILE  13   7.058  -3.724   8.088
  132   HG21  ILE  13          1HG2      ILE  13   4.131  -1.207   8.301
  133   HG22  ILE  13          2HG2      ILE  13   4.236  -1.287  10.059
  134   HG23  ILE  13          3HG2      ILE  13   5.582  -0.637   9.124
  135   HD11  ILE  13          3HD1      ILE  13   5.818  -1.669   6.321
  136   HD12  ILE  13          1HD1      ILE  13   6.744  -3.108   5.895
  137   HD13  ILE  13          2HD1      ILE  13   5.085  -3.265   6.475
  138    H    ASP  14           H        ASP  14   5.596  -1.136  11.815
  139    HA   ASP  14           HA       ASP  14   7.832   0.385  11.282
  140    HB2  ASP  14          2HB       ASP  14   5.824   0.275  13.431
  141    HB3  ASP  14          3HB       ASP  14   7.355   1.007  13.903
  142    H    GLN  15           H        GLN  15   7.534  -2.415  13.314
  143    HA   GLN  15           HA       GLN  15  10.282  -2.032  14.288
  144    HB2  GLN  15          2HB       GLN  15   8.709  -2.350  16.084
  145    HB3  GLN  15          3HB       GLN  15   8.040  -3.779  15.308
  146    HG2  GLN  15          2HG       GLN  15  10.029  -5.023  15.706
  147    HG3  GLN  15          3HG       GLN  15  10.885  -3.583  16.254
  148   HE21  GLN  15          2HE2      GLN  15   9.576  -3.631  19.496
  149   HE22  GLN  15          1HE2      GLN  15  10.371  -2.697  18.279
  150    H    PHE  16           H        PHE  16   8.377  -3.822  12.116
  151    HA   PHE  16           HA       PHE  16  10.033  -6.176  12.063
  152    HB2  PHE  16          2HB       PHE  16   7.483  -5.725  11.301
  153    HB3  PHE  16          3HB       PHE  16   8.292  -5.565   9.746
  154    HD1  PHE  16           HD1      PHE  16   8.785  -7.451   8.502
  155    HD2  PHE  16           HD2      PHE  16   8.011  -7.846  12.669
  156    HE1  PHE  16           HE1      PHE  16   8.835  -9.901   8.275
  157    HE2  PHE  16           HE2      PHE  16   8.061 -10.296  12.449
  158    HZ   PHE  16           HZ       PHE  16   8.474 -11.327  10.250
  159    H    GLY  17           H        GLY  17   9.960  -3.094  10.476
  160    HA2  GLY  17          2HA       GLY  17  12.404  -3.833   9.030
  161    HA3  GLY  17          3HA       GLY  17  11.068  -3.149   8.115
  162    H    GLU  18           H        GLU  18  11.824  -2.145  11.378
  163    HA   GLU  18           HA       GLU  18  12.353  -0.101  12.236
  164    HB2  GLU  18          2HB       GLU  18  14.369  -0.797  10.289
  165    HB3  GLU  18          3HB       GLU  18  14.173   0.948  10.372
  166    HG2  GLU  18          2HG       GLU  18  14.302  -0.381  12.977
  167    HG3  GLU  18          3HG       GLU  18  15.764  -0.524  12.003
  Start of MODEL    2
    1    H1   HIS   1           H        HIS   1  -0.071  -7.027   0.987
    2    HA   HIS   1           HA       HIS   1   2.612  -7.663   0.000
    3    HB2  HIS   1          2HB       HIS   1   0.739  -5.680  -0.678
    4    HB3  HIS   1          3HB       HIS   1   2.045  -4.835   0.148
    5    HD1  HIS   1           HD1      HIS   1   4.286  -4.657  -1.059
    6    HD2  HIS   1           HD2      HIS   1   1.475  -6.922  -3.116
    7    HE1  HIS   1           HE1      HIS   1   5.255  -5.010  -3.353
    8    H    VAL   2           H        VAL   2   4.050  -5.489   0.752
    9    HA   VAL   2           HA       VAL   2   4.172  -5.795   3.678
   10    HB   VAL   2           HB       VAL   2   6.564  -5.014   3.405
   11   HG11  VAL   2          1HG1      VAL   2   5.389  -7.594   2.743
   12   HG12  VAL   2          2HG1      VAL   2   6.999  -7.371   2.056
   13   HG13  VAL   2          3HG1      VAL   2   6.750  -7.205   3.794
   14   HG21  VAL   2          3HG2      VAL   2   7.468  -4.573   1.398
   15   HG22  VAL   2          1HG2      VAL   2   6.635  -5.919   0.621
   16   HG23  VAL   2          2HG2      VAL   2   5.798  -4.386   0.862
   17    H    PHE   3           H        PHE   3   3.914  -3.526   1.071
   18    HA   PHE   3           HA       PHE   3   3.763  -1.342   3.037
   19    HB2  PHE   3          2HB       PHE   3   5.660  -1.601   0.961
   20    HB3  PHE   3          3HB       PHE   3   4.535  -0.346   0.453
   21    HD1  PHE   3           HD1      PHE   3   7.180  -1.255   2.752
   22    HD2  PHE   3           HD2      PHE   3   4.237   1.677   1.826
   23    HE1  PHE   3           HE1      PHE   3   8.333   0.358   4.210
   24    HE2  PHE   3           HE2      PHE   3   5.386   3.295   3.281
   25    HZ   PHE   3           HZ       PHE   3   7.437   2.636   4.474
   26    H    ARG   4           H        ARG   4   1.724  -3.073   1.727
   27    HA   ARG   4           HA       ARG   4   0.150  -0.925   0.466
   28    HB2  ARG   4          2HB       ARG   4  -0.027  -3.870  -0.193
   29    HB3  ARG   4          3HB       ARG   4  -0.908  -2.561  -0.972
   30    HG2  ARG   4          2HG       ARG   4   2.089  -2.703  -0.996
   31    HG3  ARG   4          3HG       ARG   4   1.093  -3.511  -2.208
   32    HD2  ARG   4          2HD       ARG   4   0.398  -0.703  -1.725
   33    HD3  ARG   4          3HD       ARG   4   2.010  -0.954  -2.392
   34    HE   ARG   4           HE       ARG   4  -0.506  -1.374  -3.725
   35   HH11  ARG   4          1HH1      ARG   4   2.878  -2.189  -3.647
   36   HH12  ARG   4          2HH1      ARG   4   2.943  -2.635  -5.320
   37   HH21  ARG   4          2HH2      ARG   4   1.059  -2.502  -6.617
   38   HH22  ARG   4          1HH2      ARG   4  -0.433  -1.957  -5.929
   39    H    LEU   5           H        LEU   5   0.349  -1.892   3.279
   40    HA   LEU   5           HA       LEU   5  -2.205  -3.177   3.763
   41    HB2  LEU   5          2HB       LEU   5   0.251  -2.824   5.190
   42    HB3  LEU   5          3HB       LEU   5  -1.089  -2.249   6.180
   43    HG   LEU   5           HG       LEU   5  -0.425  -4.628   6.573
   44   HD11  LEU   5          1HD1      LEU   5  -2.650  -3.744   7.150
   45   HD12  LEU   5          2HD1      LEU   5  -2.693  -5.450   6.706
   46   HD13  LEU   5          3HD1      LEU   5  -3.235  -4.227   5.557
   47   HD21  LEU   5          3HD2      LEU   5  -0.075  -4.971   4.028
   48   HD22  LEU   5          1HD2      LEU   5  -1.809  -5.292   4.005
   49   HD23  LEU   5          2HD2      LEU   5  -0.741  -6.290   4.992
   50    H    LYS   6           H        LYS   6  -3.706  -2.242   5.389
   51    HA   LYS   6           HA       LYS   6  -4.519   0.355   4.603
   52    HB2  LYS   6          2HB       LYS   6  -6.397   0.009   5.909
   53    HB3  LYS   6          3HB       LYS   6  -5.903  -1.643   5.564
   54    HG2  LYS   6          2HG       LYS   6  -5.427  -0.095   8.100
   55    HG3  LYS   6          3HG       LYS   6  -6.493  -1.484   7.873
   56    HD2  LYS   6          2HD       LYS   6  -4.388  -2.757   7.175
   57    HD3  LYS   6          3HD       LYS   6  -3.489  -1.404   7.864
   58    HE2  LYS   6          2HE       LYS   6  -3.945  -2.021   9.977
   59    HE3  LYS   6          3HE       LYS   6  -5.607  -2.466   9.592
   60    HZ1  LYS   6          3HZ       LYS   6  -4.263  -4.373  10.282
   61    HZ2  LYS   6          1HZ       LYS   6  -3.217  -4.119   8.977
   62    HZ3  LYS   6          2HZ       LYS   6  -4.829  -4.550   8.698
   63    H    LYS   7           H        LYS   7  -5.220   1.879   6.589
   64    HA   LYS   7           HA       LYS   7  -2.690   2.580   7.889
   65    HB2  LYS   7          2HB       LYS   7  -5.178   4.278   7.785
   66    HB3  LYS   7          3HB       LYS   7  -3.524   4.794   8.088
   67    HG2  LYS   7          2HG       LYS   7  -4.641   3.792   5.478
   68    HG3  LYS   7          3HG       LYS   7  -4.202   5.455   5.874
   69    HD2  LYS   7          2HD       LYS   7  -1.931   3.929   6.451
   70    HD3  LYS   7          3HD       LYS   7  -2.544   3.296   4.921
   71    HE2  LYS   7          2HE       LYS   7  -2.267   5.310   3.827
   72    HE3  LYS   7          3HE       LYS   7  -2.336   6.248   5.318
   73    HZ1  LYS   7          3HZ       LYS   7  -0.122   6.338   4.961
   74    HZ2  LYS   7          1HZ       LYS   7  -0.074   4.897   4.077
   75    HZ3  LYS   7          2HZ       LYS   7  -0.142   4.850   5.766
   76    H    TRP   8           H        TRP   8  -3.681   0.460   9.128
   77    HA   TRP   8           HA       TRP   8  -4.733   1.569  11.637
   78    HB2  TRP   8          2HB       TRP   8  -6.192  -0.094   9.931
   79    HB3  TRP   8          3HB       TRP   8  -5.614  -1.162  11.207
   80    HD1  TRP   8           HD1      TRP   8  -6.999   2.469  11.385
   81    HE1  TRP   8           HE1      TRP   8  -8.875   2.507  13.147
   82    HE3  TRP   8           HE3      TRP   8  -7.009  -2.480  12.666
   83    HZ2  TRP   8           HZ2      TRP   8 -10.185   0.680  14.855
   84    HZ3  TRP   8           HZ3      TRP   8  -8.604  -3.254  14.373
   85    HH2  TRP   8           HH2      TRP   8 -10.157  -1.704  15.444
   86    H    ILE   9           H        ILE   9  -2.145   0.325  10.303
   87    HA   ILE   9           HA       ILE   9  -1.302  -0.991  12.768
   88    HB   ILE   9           HB       ILE   9  -0.102  -2.744  11.345
   89   HG12  ILE   9          2HG1      ILE   9  -1.472  -3.294   9.243
   90   HG13  ILE   9          3HG1      ILE   9  -2.087  -1.649   9.360
   91   HG21  ILE   9          1HG2      ILE   9  -2.239  -4.130  11.175
   92   HG22  ILE   9          2HG2      ILE   9  -1.812  -3.489  12.761
   93   HG23  ILE   9          3HG2      ILE   9  -3.067  -2.705  11.802
   94   HD11  ILE   9          3HD1      ILE   9  -0.083  -0.715   8.788
   95   HD12  ILE   9          1HD1      ILE   9   0.853  -2.084   9.387
   96   HD13  ILE   9          2HD1      ILE   9  -0.023  -2.215   7.862
   97    H    GLN  10           H        GLN  10  -0.736   1.580  11.541
   98    HA   GLN  10           HA       GLN  10   1.638   1.754  10.151
   99    HB2  GLN  10          2HB       GLN  10  -0.036   3.524  11.615
  100    HB3  GLN  10          3HB       GLN  10   1.621   3.817  12.125
  101    HG2  GLN  10          2HG       GLN  10   2.220   3.992   9.687
  102    HG3  GLN  10          3HG       GLN  10   0.490   3.986   9.349
  103   HE21  GLN  10          2HE2      GLN  10   2.281   7.250  11.010
  104   HE22  GLN  10          1HE2      GLN  10   3.063   5.710  11.002
  105    H    LYS  11           H        LYS  11   1.118   0.799  13.423
  106    HA   LYS  11           HA       LYS  11   3.715   1.333  14.434
  107    HB2  LYS  11          2HB       LYS  11   1.747   0.948  15.877
  108    HB3  LYS  11          3HB       LYS  11   1.698  -0.728  15.346
  109    HG2  LYS  11          2HG       LYS  11   4.210   0.309  16.554
  110    HG3  LYS  11          3HG       LYS  11   2.839  -0.044  17.608
  111    HD2  LYS  11          2HD       LYS  11   3.342  -2.151  15.660
  112    HD3  LYS  11          3HD       LYS  11   4.719  -1.858  16.726
  113    HE2  LYS  11          2HE       LYS  11   3.129  -2.011  18.660
  114    HE3  LYS  11          3HE       LYS  11   1.891  -2.534  17.518
  115    HZ1  LYS  11          3HZ       LYS  11   3.775  -4.248  16.894
  116    HZ2  LYS  11          1HZ       LYS  11   2.689  -4.542  18.158
  117    HZ3  LYS  11          2HZ       LYS  11   4.242  -3.965  18.495
  118    H    VAL  12           H        VAL  12   2.198  -1.631  13.178
  119    HA   VAL  12           HA       VAL  12   4.449  -3.290  13.447
  120    HB   VAL  12           HB       VAL  12   2.130  -3.468  11.521
  121   HG11  VAL  12          1HG1      VAL  12   2.792  -5.842  11.265
  122   HG12  VAL  12          2HG1      VAL  12   3.977  -4.715  10.603
  123   HG13  VAL  12          3HG1      VAL  12   4.272  -5.493  12.158
  124   HG21  VAL  12          3HG2      VAL  12   2.552  -5.240  13.886
  125   HG22  VAL  12          1HG2      VAL  12   1.879  -3.626  14.116
  126   HG23  VAL  12          2HG2      VAL  12   1.054  -4.786  13.075
  127    H    ILE  13           H        ILE  13   3.216  -1.556  10.588
  128    HA   ILE  13           HA       ILE  13   5.320  -2.286   8.868
  129    HB   ILE  13           HB       ILE  13   3.129  -1.339   8.130
  130   HG12  ILE  13          2HG1      ILE  13   5.399   0.320   7.050
  131   HG13  ILE  13          3HG1      ILE  13   5.303  -1.413   6.753
  132   HG21  ILE  13          1HG2      ILE  13   3.195   0.515   9.855
  133   HG22  ILE  13          2HG2      ILE  13   4.304   1.351   8.771
  134   HG23  ILE  13          3HG2      ILE  13   2.667   0.971   8.236
  135   HD11  ILE  13          3HD1      ILE  13   3.731   0.796   5.620
  136   HD12  ILE  13          1HD1      ILE  13   4.213  -0.745   4.909
  137   HD13  ILE  13          2HD1      ILE  13   2.833  -0.672   6.006
  138    H    ASP  14           H        ASP  14   4.958   0.329  11.172
  139    HA   ASP  14           HA       ASP  14   6.942   2.070  10.395
  140    HB2  ASP  14          2HB       ASP  14   5.603   1.397  12.915
  141    HB3  ASP  14          3HB       ASP  14   7.222   2.057  13.133
  142    H    GLN  15           H        GLN  15   7.254  -1.099  11.792
  143    HA   GLN  15           HA       GLN  15  10.174  -0.751  11.930
  144    HB2  GLN  15          2HB       GLN  15   8.245  -2.391  13.500
  145    HB3  GLN  15          3HB       GLN  15   9.858  -3.042  13.243
  146    HG2  GLN  15          2HG       GLN  15  10.876  -1.262  14.385
  147    HG3  GLN  15          3HG       GLN  15   9.409  -0.286  14.335
  148   HE21  GLN  15          2HE2      GLN  15   8.153  -1.494  17.313
  149   HE22  GLN  15          1HE2      GLN  15   8.049  -0.377  15.999
  150    H    PHE  16           H        PHE  16   7.657  -2.233  10.215
  151    HA   PHE  16           HA       PHE  16   7.561  -3.823   8.585
  152    HB2  PHE  16          2HB       PHE  16   8.943  -2.289   7.367
  153    HB3  PHE  16          3HB       PHE  16  10.385  -2.812   8.231
  154    HD1  PHE  16           HD1      PHE  16   7.698  -4.203   6.053
  155    HD2  PHE  16           HD2      PHE  16  11.795  -4.303   7.201
  156    HE1  PHE  16           HE1      PHE  16   8.149  -5.856   4.287
  157    HE2  PHE  16           HE2      PHE  16  12.253  -5.955   5.437
  158    HZ   PHE  16           HZ       PHE  16  10.429  -6.734   3.977
  159    H    GLY  17           H        GLY  17   7.276  -5.609   9.970
  160    HA2  GLY  17          2HA       GLY  17   9.275  -7.027  11.290
  161    HA3  GLY  17          3HA       GLY  17   7.758  -7.719  10.734
  162    H    GLU  18           H        GLU  18   7.677  -8.798   8.750
  163    HA   GLU  18           HA       GLU  18  10.278  -9.774   7.852
  164    HB2  GLU  18          2HB       GLU  18   8.200 -11.233   8.459
  165    HB3  GLU  18          3HB       GLU  18   7.649 -10.805   6.845
  166    HG2  GLU  18          2HG       GLU  18   8.718 -12.806   6.482
  167    HG3  GLU  18          3HG       GLU  18   9.978 -11.636   6.091
  Start of MODEL    3
    1    H1   HIS   1           H        HIS   1  -0.782  -5.550  -1.323
    2    HA   HIS   1           HA       HIS   1  -1.006  -3.021  -2.468
    3    HB2  HIS   1          2HB       HIS   1  -3.245  -4.080  -3.167
    4    HB3  HIS   1          3HB       HIS   1  -3.697  -3.932  -1.472
    5    HD1  HIS   1           HD1      HIS   1  -3.020  -1.239  -0.632
    6    HD2  HIS   1           HD2      HIS   1  -4.257  -1.990  -4.526
    7    HE1  HIS   1           HE1      HIS   1  -3.855   0.965  -1.509
    8    H    VAL   2           H        VAL   2  -1.845  -5.133   0.205
    9    HA   VAL   2           HA       VAL   2  -2.180  -3.216   2.215
   10    HB   VAL   2           HB       VAL   2  -1.677  -4.993   3.812
   11   HG11  VAL   2          1HG1      VAL   2  -3.585  -5.219   1.644
   12   HG12  VAL   2          2HG1      VAL   2  -3.173  -6.793   2.327
   13   HG13  VAL   2          3HG1      VAL   2  -3.798  -5.514   3.369
   14   HG21  VAL   2          3HG2      VAL   2  -0.629  -6.414   1.380
   15   HG22  VAL   2          1HG2      VAL   2   0.194  -6.092   2.906
   16   HG23  VAL   2          2HG2      VAL   2  -1.108  -7.279   2.840
   17    H    PHE   3           H        PHE   3   0.689  -4.479   0.707
   18    HA   PHE   3           HA       PHE   3   2.570  -3.764   2.680
   19    HB2  PHE   3          2HB       PHE   3   2.701  -4.355  -0.248
   20    HB3  PHE   3          3HB       PHE   3   4.107  -3.644   0.537
   21    HD1  PHE   3           HD1      PHE   3   5.656  -5.023   1.542
   22    HD2  PHE   3           HD2      PHE   3   1.701  -6.462   0.906
   23    HE1  PHE   3           HE1      PHE   3   6.345  -7.251   2.326
   24    HE2  PHE   3           HE2      PHE   3   2.383  -8.692   1.690
   25    HZ   PHE   3           HZ       PHE   3   4.707  -9.089   2.402
   26    H    ARG   4           H        ARG   4   0.875  -1.923   0.286
   27    HA   ARG   4           HA       ARG   4   2.653   0.361   0.519
   28    HB2  ARG   4          2HB       ARG   4   0.153  -0.178  -1.070
   29    HB3  ARG   4          3HB       ARG   4   0.869   1.426  -0.985
   30    HG2  ARG   4          2HG       ARG   4   1.856   0.669  -2.885
   31    HG3  ARG   4          3HG       ARG   4   3.041   0.110  -1.702
   32    HD2  ARG   4          2HD       ARG   4   2.478  -2.077  -1.967
   33    HD3  ARG   4          3HD       ARG   4   0.790  -1.711  -2.318
   34    HE   ARG   4           HE       ARG   4   2.538  -0.853  -4.405
   35   HH11  ARG   4          1HH1      ARG   4   0.890  -3.617  -3.076
   36   HH12  ARG   4          2HH1      ARG   4   0.836  -4.472  -4.582
   37   HH21  ARG   4          2HH2      ARG   4   1.736  -3.534  -6.468
   38   HH22  ARG   4          1HH2      ARG   4   2.472  -1.969  -6.394
   39    H    LEU   5           H        LEU   5  -0.325  -0.795   1.852
   40    HA   LEU   5           HA       LEU   5  -1.583   1.520   2.672
   41    HB2  LEU   5          2HB       LEU   5  -1.681  -1.258   3.323
   42    HB3  LEU   5          3HB       LEU   5  -1.766  -0.319   4.812
   43    HG   LEU   5           HG       LEU   5  -3.985  -0.905   3.915
   44   HD11  LEU   5          1HD1      LEU   5  -3.243   2.011   3.975
   45   HD12  LEU   5          2HD1      LEU   5  -3.867   1.026   5.298
   46   HD13  LEU   5          3HD1      LEU   5  -4.906   1.424   3.930
   47   HD21  LEU   5          3HD2      LEU   5  -4.508  -0.681   1.769
   48   HD22  LEU   5          1HD2      LEU   5  -2.838  -0.205   1.462
   49   HD23  LEU   5          2HD2      LEU   5  -4.059   1.026   1.784
   50    H    LYS   6           H        LYS   6   0.439  -0.439   4.860
   51    HA   LYS   6           HA       LYS   6   1.668   0.138   6.691
   52    HB2  LYS   6          2HB       LYS   6   2.341   2.449   4.864
   53    HB3  LYS   6          3HB       LYS   6   3.203   2.084   6.352
   54    HG2  LYS   6          2HG       LYS   6   3.012   0.329   3.913
   55    HG3  LYS   6          3HG       LYS   6   4.427   1.232   4.460
   56    HD2  LYS   6          2HD       LYS   6   4.956  -0.780   5.369
   57    HD3  LYS   6          3HD       LYS   6   3.943  -0.173   6.681
   58    HE2  LYS   6          2HE       LYS   6   2.403  -1.754   6.345
   59    HE3  LYS   6          3HE       LYS   6   2.389  -1.475   4.604
   60    HZ1  LYS   6          3HZ       LYS   6   3.405  -3.421   4.408
   61    HZ2  LYS   6          1HZ       LYS   6   3.643  -3.555   6.078
   62    HZ3  LYS   6          2HZ       LYS   6   4.775  -2.736   5.125
   63    H    LYS   7           H        LYS   7  -0.921   0.726   7.128
   64    HA   LYS   7           HA       LYS   7  -0.723   3.031   8.887
   65    HB2  LYS   7          2HB       LYS   7  -2.166   3.100   6.391
   66    HB3  LYS   7          3HB       LYS   7  -3.279   3.291   7.740
   67    HG2  LYS   7          2HG       LYS   7  -0.836   4.905   7.921
   68    HG3  LYS   7          3HG       LYS   7  -1.906   5.311   6.577
   69    HD2  LYS   7          2HD       LYS   7  -2.561   6.656   8.430
   70    HD3  LYS   7          3HD       LYS   7  -3.791   5.405   8.234
   71    HE2  LYS   7          2HE       LYS   7  -3.432   4.660  10.298
   72    HE3  LYS   7          3HE       LYS   7  -1.708   4.475   9.978
   73    HZ1  LYS   7          3HZ       LYS   7  -2.928   7.086  10.658
   74    HZ2  LYS   7          1HZ       LYS   7  -1.289   6.667  10.669
   75    HZ3  LYS   7          2HZ       LYS   7  -2.333   6.028  11.836
   76    H    TRP   8           H        TRP   8  -2.824   0.459   7.629
   77    HA   TRP   8           HA       TRP   8  -4.514   0.342   9.895
   78    HB2  TRP   8          2HB       TRP   8  -4.446  -0.852   7.382
   79    HB3  TRP   8          3HB       TRP   8  -4.242  -2.197   8.500
   80    HD1  TRP   8           HD1      TRP   8  -6.771   0.488   7.475
   81    HE1  TRP   8           HE1      TRP   8  -9.083  -0.167   8.397
   82    HE3  TRP   8           HE3      TRP   8  -5.395  -3.506  10.354
   83    HZ2  TRP   8           HZ2      TRP   8 -10.179  -2.118  10.118
   84    HZ3  TRP   8           HZ3      TRP   8  -7.136  -4.713  11.607
   85    HH2  TRP   8           HH2      TRP   8  -9.477  -4.031  11.490
   86    H    ILE   9           H        ILE   9  -1.309  -0.602   9.458
   87    HA   ILE   9           HA       ILE   9  -1.163  -1.727  12.082
   88    HB   ILE   9           HB       ILE   9   0.029  -3.849  11.011
   89   HG12  ILE   9          2HG1      ILE   9  -1.260  -4.699   9.099
   90   HG13  ILE   9          3HG1      ILE   9  -2.188  -3.204   9.053
   91   HG21  ILE   9          1HG2      ILE   9  -2.362  -3.330  12.353
   92   HG22  ILE   9          2HG2      ILE   9  -2.797  -4.403  11.023
   93   HG23  ILE   9          3HG2      ILE   9  -1.554  -4.887  12.176
   94   HD11  ILE   9          3HD1      ILE   9   0.762  -3.009   8.850
   95   HD12  ILE   9          1HD1      ILE   9  -0.131  -3.627   7.461
   96   HD13  ILE   9          2HD1      ILE   9  -0.496  -2.025   8.102
   97    H    GLN  10           H        GLN  10   0.029   0.379  10.360
   98    HA   GLN  10           HA       GLN  10   2.611  -0.136   9.545
   99    HB2  GLN  10          2HB       GLN  10   2.978   2.166   9.585
  100    HB3  GLN  10          3HB       GLN  10   1.232   2.044   9.422
  101    HG2  GLN  10          2HG       GLN  10   1.001   2.403  11.842
  102    HG3  GLN  10          3HG       GLN  10   2.750   2.586  11.964
  103   HE21  GLN  10          2HE2      GLN  10   2.818   5.872  10.838
  104   HE22  GLN  10          1HE2      GLN  10   3.709   4.460  11.283
  105    H    LYS  11           H        LYS  11   1.340  -0.092  12.737
  106    HA   LYS  11           HA       LYS  11   3.740   0.445  14.152
  107    HB2  LYS  11          2HB       LYS  11   1.514   0.666  15.175
  108    HB3  LYS  11          3HB       LYS  11   1.278  -1.072  15.039
  109    HG2  LYS  11          2HG       LYS  11   3.660  -0.083  16.515
  110    HG3  LYS  11          3HG       LYS  11   2.075   0.040  17.284
  111    HD2  LYS  11          2HD       LYS  11   2.568  -2.555  16.036
  112    HD3  LYS  11          3HD       LYS  11   3.710  -2.167  17.324
  113    HE2  LYS  11          2HE       LYS  11   1.854  -1.732  18.847
  114    HE3  LYS  11          3HE       LYS  11   0.703  -2.080  17.558
  115    HZ1  LYS  11          3HZ       LYS  11   1.400  -3.901  19.290
  116    HZ2  LYS  11          1HZ       LYS  11   2.691  -4.124  18.219
  117    HZ3  LYS  11          2HZ       LYS  11   1.100  -4.304  17.675
  118    H    VAL  12           H        VAL  12   2.091  -2.573  13.257
  119    HA   VAL  12           HA       VAL  12   3.913  -4.334  14.466
  120    HB   VAL  12           HB       VAL  12   2.099  -4.731  12.088
  121   HG11  VAL  12          1HG1      VAL  12   2.434  -7.160  12.496
  122   HG12  VAL  12          2HG1      VAL  12   3.878  -6.335  11.904
  123   HG13  VAL  12          3HG1      VAL  12   3.736  -6.751  13.612
  124   HG21  VAL  12          3HG2      VAL  12   1.797  -5.782  14.891
  125   HG22  VAL  12          1HG2      VAL  12   1.114  -4.244  14.364
  126   HG23  VAL  12          2HG2      VAL  12   0.591  -5.747  13.604
  127    H    ILE  13           H        ILE  13   3.710  -3.201  11.096
  128    HA   ILE  13           HA       ILE  13   6.033  -4.557  10.222
  129    HB   ILE  13           HB       ILE  13   4.282  -3.724   8.684
  130   HG12  ILE  13          2HG1      ILE  13   6.279  -2.322   7.324
  131   HG13  ILE  13          3HG1      ILE  13   7.155  -3.432   8.373
  132   HG21  ILE  13          1HG2      ILE  13   5.472  -0.986   8.953
  133   HG22  ILE  13          2HG2      ILE  13   3.950  -1.468   8.205
  134   HG23  ILE  13          3HG2      ILE  13   4.118  -1.498   9.960
  135   HD11  ILE  13          3HD1      ILE  13   6.653  -5.168   7.090
  136   HD12  ILE  13          1HD1      ILE  13   4.946  -4.731   7.034
  137   HD13  ILE  13          2HD1      ILE  13   6.081  -4.001   5.898
  138    H    ASP  14           H        ASP  14   5.488  -1.413  11.666
  139    HA   ASP  14           HA       ASP  14   7.841  -0.101  11.068
  140    HB2  ASP  14          2HB       ASP  14   6.188   1.125  12.227
  141    HB3  ASP  14          3HB       ASP  14   6.106  -0.059  13.529
  142    H    GLN  15           H        GLN  15   7.317  -2.791  13.195
  143    HA   GLN  15           HA       GLN  15  10.118  -2.633  14.088
  144    HB2  GLN  15          2HB       GLN  15   7.632  -3.646  15.389
  145    HB3  GLN  15          3HB       GLN  15   9.158  -4.425  15.786
  146    HG2  GLN  15          2HG       GLN  15   9.195  -1.492  15.884
  147    HG3  GLN  15          3HG       GLN  15   8.151  -2.274  17.070
  148   HE21  GLN  15          2HE2      GLN  15  12.201  -2.843  17.221
  149   HE22  GLN  15          1HE2      GLN  15  11.427  -2.409  15.738
  150    H    PHE  16           H        PHE  16   7.973  -4.297  12.091
  151    HA   PHE  16           HA       PHE  16   9.212  -6.884  12.250
  152    HB2  PHE  16          2HB       PHE  16   6.796  -6.291  11.498
  153    HB3  PHE  16          3HB       PHE  16   7.535  -5.956   9.936
  154    HD1  PHE  16           HD1      PHE  16   7.092  -8.592  12.501
  155    HD2  PHE  16           HD2      PHE  16   8.033  -7.687   8.450
  156    HE1  PHE  16           HE1      PHE  16   6.989 -10.986  11.946
  157    HE2  PHE  16           HE2      PHE  16   7.931 -10.080   7.888
  158    HZ   PHE  16           HZ       PHE  16   7.408 -11.733   9.637
  159    H    GLY  17           H        GLY  17   9.080  -4.391   9.695
  160    HA2  GLY  17          2HA       GLY  17  11.844  -4.573   9.103
  161    HA3  GLY  17          3HA       GLY  17  10.928  -5.551   7.966
  162    H    GLU  18           H        GLU  18  11.447  -2.293   9.178
  163    HA   GLU  18           HA       GLU  18   9.674  -0.868   7.608
  164    HB2  GLU  18          2HB       GLU  18  11.401  -0.102   9.432
  165    HB3  GLU  18          3HB       GLU  18  12.440   0.188   8.044
  166    HG2  GLU  18          2HG       GLU  18  10.433   1.526   7.120
  167    HG3  GLU  18          3HG       GLU  18   9.876   1.524   8.792
  Start of MODEL    4
    1    H1   HIS   1           H        HIS   1   0.830   6.639  -2.565
    2    HA   HIS   1           HA       HIS   1  -0.298   6.445   0.015
    3    HB2  HIS   1          2HB       HIS   1  -1.766   8.045  -1.941
    4    HB3  HIS   1          3HB       HIS   1  -2.721   6.717  -1.287
    5    HD1  HIS   1           HD1      HIS   1  -2.045   6.668   1.601
    6    HD2  HIS   1           HD2      HIS   1  -2.426  10.229  -0.506
    7    HE1  HIS   1           HE1      HIS   1  -2.534   8.425   3.333
    8    H    VAL   2           H        VAL   2  -0.245   4.310   0.204
    9    HA   VAL   2           HA       VAL   2  -0.878   2.634  -2.111
   10    HB   VAL   2           HB       VAL   2   0.227   1.758   0.558
   11   HG11  VAL   2          1HG1      VAL   2   0.450   0.346  -2.084
   12   HG12  VAL   2          2HG1      VAL   2   0.713  -0.299  -0.462
   13   HG13  VAL   2          3HG1      VAL   2  -0.920   0.095  -1.002
   14   HG21  VAL   2          3HG2      VAL   2   2.392   1.599  -0.822
   15   HG22  VAL   2          1HG2      VAL   2   1.601   2.725  -1.925
   16   HG23  VAL   2          2HG2      VAL   2   1.886   3.187  -0.247
   17    H    PHE   3           H        PHE   3  -1.982   3.398   1.122
   18    HA   PHE   3           HA       PHE   3  -3.966   3.005   2.170
   19    HB2  PHE   3          2HB       PHE   3  -4.590   2.754  -0.615
   20    HB3  PHE   3          3HB       PHE   3  -5.484   1.531   0.282
   21    HD1  PHE   3           HD1      PHE   3  -4.717   5.170   0.282
   22    HD2  PHE   3           HD2      PHE   3  -7.462   2.094   1.340
   23    HE1  PHE   3           HE1      PHE   3  -6.361   6.873   0.952
   24    HE2  PHE   3           HE2      PHE   3  -9.111   3.792   2.011
   25    HZ   PHE   3           HZ       PHE   3  -8.562   6.185   1.817
   26    H    ARG   4           H        ARG   4  -3.915   0.197  -0.009
   27    HA   ARG   4           HA       ARG   4  -4.592  -1.677   1.934
   28    HB2  ARG   4          2HB       ARG   4  -3.905  -1.695  -0.825
   29    HB3  ARG   4          3HB       ARG   4  -2.939  -2.931  -0.029
   30    HG2  ARG   4          2HG       ARG   4  -4.734  -4.225   0.453
   31    HG3  ARG   4          3HG       ARG   4  -5.817  -2.845   0.643
   32    HD2  ARG   4          2HD       ARG   4  -6.553  -3.079  -1.439
   33    HD3  ARG   4          3HD       ARG   4  -4.909  -2.990  -2.069
   34    HE   ARG   4           HE       ARG   4  -4.965  -5.249  -2.367
   35   HH11  ARG   4          1HH1      ARG   4  -7.402  -4.377  -0.039
   36   HH12  ARG   4          2HH1      ARG   4  -8.054  -5.978   0.073
   37   HH21  ARG   4          2HH2      ARG   4  -7.149  -7.675  -1.171
   38   HH22  ARG   4          1HH2      ARG   4  -5.814  -7.361  -2.228
   39    H    LEU   5           H        LEU   5  -1.374  -0.859   0.652
   40    HA   LEU   5           HA       LEU   5   0.708  -1.052   1.550
   41    HB2  LEU   5          2HB       LEU   5  -1.033  -0.691   3.784
   42    HB3  LEU   5          3HB       LEU   5   0.225  -1.847   4.220
   43    HG   LEU   5           HG       LEU   5   0.958   0.772   2.970
   44   HD11  LEU   5          1HD1      LEU   5  -0.178   0.333   5.651
   45   HD12  LEU   5          2HD1      LEU   5  -0.110   1.795   4.668
   46   HD13  LEU   5          3HD1      LEU   5   1.305   1.285   5.589
   47   HD21  LEU   5          3HD2      LEU   5   2.963   0.399   4.436
   48   HD22  LEU   5          1HD2      LEU   5   2.740  -0.791   3.153
   49   HD23  LEU   5          2HD2      LEU   5   2.303  -1.193   4.814
   50    H    LYS   6           H        LYS   6   2.157  -2.671   1.500
   51    HA   LYS   6           HA       LYS   6   1.447  -5.279   0.948
   52    HB2  LYS   6          2HB       LYS   6   3.742  -5.839   1.125
   53    HB3  LYS   6          3HB       LYS   6   3.696  -4.165   0.587
   54    HG2  LYS   6          2HG       LYS   6   4.045  -4.956   3.466
   55    HG3  LYS   6          3HG       LYS   6   5.394  -4.700   2.356
   56    HD2  LYS   6          2HD       LYS   6   4.435  -2.406   1.913
   57    HD3  LYS   6          3HD       LYS   6   3.336  -2.696   3.264
   58    HE2  LYS   6          2HE       LYS   6   4.929  -2.276   4.772
   59    HE3  LYS   6          3HE       LYS   6   6.099  -3.294   3.933
   60    HZ1  LYS   6          3HZ       LYS   6   7.121  -1.456   3.286
   61    HZ2  LYS   6          1HZ       LYS   6   5.931  -0.482   3.990
   62    HZ3  LYS   6          2HZ       LYS   6   5.755  -1.009   2.393
   63    H    LYS   7           H        LYS   7   1.874  -3.728   4.034
   64    HA   LYS   7           HA       LYS   7   1.294  -6.292   5.368
   65    HB2  LYS   7          2HB       LYS   7   3.081  -4.021   6.136
   66    HB3  LYS   7          3HB       LYS   7   2.311  -4.964   7.405
   67    HG2  LYS   7          2HG       LYS   7   3.897  -6.252   5.209
   68    HG3  LYS   7          3HG       LYS   7   4.649  -5.654   6.690
   69    HD2  LYS   7          2HD       LYS   7   4.175  -7.642   7.587
   70    HD3  LYS   7          3HD       LYS   7   2.485  -7.132   7.588
   71    HE2  LYS   7          2HE       LYS   7   2.225  -8.088   5.331
   72    HE3  LYS   7          3HE       LYS   7   3.897  -8.644   5.392
   73    HZ1  LYS   7          3HZ       LYS   7   1.876  -9.448   7.402
   74    HZ2  LYS   7          1HZ       LYS   7   3.394 -10.139   7.118
   75    HZ3  LYS   7          2HZ       LYS   7   2.152 -10.330   5.985
   76    H    TRP   8           H        TRP   8  -0.348  -6.368   6.841
   77    HA   TRP   8           HA       TRP   8  -2.271  -4.220   6.734
   78    HB2  TRP   8          2HB       TRP   8  -2.361  -6.824   8.273
   79    HB3  TRP   8          3HB       TRP   8  -3.715  -5.728   8.014
   80    HD1  TRP   8           HD1      TRP   8  -4.361  -5.382   5.274
   81    HE1  TRP   8           HE1      TRP   8  -4.475  -7.201   3.456
   82    HE3  TRP   8           HE3      TRP   8  -1.497  -8.966   7.530
   83    HZ2  TRP   8           HZ2      TRP   8  -3.483  -9.809   3.035
   84    HZ3  TRP   8           HZ3      TRP   8  -1.129 -11.095   6.353
   85    HH2  TRP   8           HH2      TRP   8  -2.102 -11.506   4.152
   86    H    ILE   9           H        ILE   9   0.443  -4.549   8.459
   87    HA   ILE   9           HA       ILE   9  -0.490  -2.758  10.530
   88    HB   ILE   9           HB       ILE   9   0.772  -4.240  12.268
   89   HG12  ILE   9          2HG1      ILE   9   0.396  -6.670  11.841
   90   HG13  ILE   9          3HG1      ILE   9  -0.080  -6.271  10.194
   91   HG21  ILE   9          1HG2      ILE   9  -1.259  -4.541  13.140
   92   HG22  ILE   9          2HG2      ILE   9  -1.875  -3.785  11.671
   93   HG23  ILE   9          3HG2      ILE   9  -1.783  -5.543  11.786
   94   HD11  ILE   9          3HD1      ILE   9   2.611  -5.637  11.374
   95   HD12  ILE   9          1HD1      ILE   9   2.253  -7.074  10.417
   96   HD13  ILE   9          2HD1      ILE   9   2.115  -5.472   9.690
   97    H    GLN  10           H        GLN  10   1.310  -2.535   8.309
   98    HA   GLN  10           HA       GLN  10   3.995  -2.807   8.848
   99    HB2  GLN  10          2HB       GLN  10   4.391  -1.328   7.107
  100    HB3  GLN  10          3HB       GLN  10   2.764  -1.892   6.747
  101    HG2  GLN  10          2HG       GLN  10   3.482   0.697   8.104
  102    HG3  GLN  10          3HG       GLN  10   2.956   0.506   6.432
  103   HE21  GLN  10          2HE2      GLN  10   0.180   1.418   8.881
  104   HE22  GLN  10          1HE2      GLN  10   1.815   1.965   8.773
  105    H    LYS  11           H        LYS  11   1.724  -0.603  10.243
  106    HA   LYS  11           HA       LYS  11   3.551   1.339  11.199
  107    HB2  LYS  11          2HB       LYS  11   1.127   1.741  11.030
  108    HB3  LYS  11          3HB       LYS  11   0.844   0.551  12.295
  109    HG2  LYS  11          2HG       LYS  11   2.659   2.831  12.879
  110    HG3  LYS  11          3HG       LYS  11   0.920   3.125  12.820
  111    HD2  LYS  11          2HD       LYS  11   1.638   0.739  14.340
  112    HD3  LYS  11          3HD       LYS  11   2.326   2.223  15.004
  113    HE2  LYS  11          2HE       LYS  11  -0.565   2.071  14.226
  114    HE3  LYS  11          3HE       LYS  11  -0.016   1.471  15.790
  115    HZ1  LYS  11          3HZ       LYS  11  -0.769   3.974  15.391
  116    HZ2  LYS  11          1HZ       LYS  11   0.878   4.136  15.039
  117    HZ3  LYS  11          2HZ       LYS  11   0.390   3.543  16.545
  118    H    VAL  12           H        VAL  12   2.095  -1.526  12.716
  119    HA   VAL  12           HA       VAL  12   3.318  -1.229  15.231
  120    HB   VAL  12           HB       VAL  12   2.315  -3.702  13.821
  121   HG11  VAL  12          1HG1      VAL  12   3.951  -4.411  15.431
  122   HG12  VAL  12          2HG1      VAL  12   3.255  -3.359  16.666
  123   HG13  VAL  12          3HG1      VAL  12   2.345  -4.749  16.075
  124   HG21  VAL  12          3HG2      VAL  12   0.347  -3.448  15.117
  125   HG22  VAL  12          1HG2      VAL  12   1.086  -2.201  16.122
  126   HG23  VAL  12          2HG2      VAL  12   0.699  -1.860  14.435
  127    H    ILE  13           H        ILE  13   4.256  -3.210  12.424
  128    HA   ILE  13           HA       ILE  13   6.638  -4.201  13.586
  129    HB   ILE  13           HB       ILE  13   5.486  -5.241  11.636
  130   HG12  ILE  13          2HG1      ILE  13   8.270  -4.623  10.742
  131   HG13  ILE  13          3HG1      ILE  13   8.042  -5.410  12.300
  132   HG21  ILE  13          1HG2      ILE  13   5.128  -3.017  10.480
  133   HG22  ILE  13          2HG2      ILE  13   6.811  -3.124   9.965
  134   HG23  ILE  13          3HG2      ILE  13   5.654  -4.354   9.456
  135   HD11  ILE  13          3HD1      ILE  13   8.218  -7.258  11.027
  136   HD12  ILE  13          1HD1      ILE  13   6.492  -6.979  10.800
  137   HD13  ILE  13          2HD1      ILE  13   7.640  -6.448   9.571
  138    H    ASP  14           H        ASP  14   5.882  -1.324  11.738
  139    HA   ASP  14           HA       ASP  14   8.381  -0.502  10.910
  140    HB2  ASP  14          2HB       ASP  14   6.537   0.785  10.194
  141    HB3  ASP  14          3HB       ASP  14   5.978   1.054  11.843
  142    H    GLN  15           H        GLN  15   7.063  -0.583  14.119
  143    HA   GLN  15           HA       GLN  15   9.449   0.805  15.141
  144    HB2  GLN  15          2HB       GLN  15   6.631   0.631  16.096
  145    HB3  GLN  15          3HB       GLN  15   7.903   0.771  17.303
  146    HG2  GLN  15          2HG       GLN  15   8.716   2.777  15.938
  147    HG3  GLN  15          3HG       GLN  15   7.139   2.708  15.151
  148   HE21  GLN  15          2HE2      GLN  15   6.167   4.963  17.636
  149   HE22  GLN  15          1HE2      GLN  15   6.607   4.744  15.980
  150    H    PHE  16           H        PHE  16   7.947  -2.208  14.858
  151    HA   PHE  16           HA       PHE  16   8.964  -3.383  17.272
  152    HB2  PHE  16          2HB       PHE  16   6.933  -4.133  15.833
  153    HB3  PHE  16          3HB       PHE  16   8.139  -4.957  14.849
  154    HD1  PHE  16           HD1      PHE  16   8.248  -7.200  15.271
  155    HD2  PHE  16           HD2      PHE  16   7.545  -4.533  18.513
  156    HE1  PHE  16           HE1      PHE  16   8.217  -9.105  16.827
  157    HE2  PHE  16           HE2      PHE  16   7.514  -6.434  20.074
  158    HZ   PHE  16           HZ       PHE  16   7.851  -8.724  19.232
  159    H    GLY  17           H        GLY  17  10.094  -2.946  14.008
  160    HA2  GLY  17          2HA       GLY  17  12.476  -2.965  13.601
  161    HA3  GLY  17          3HA       GLY  17  12.617  -4.262  14.779
  162    H    GLU  18           H        GLU  18  12.492  -3.524  11.524
  163    HA   GLU  18           HA       GLU  18  11.503  -6.163  10.739
  164    HB2  GLU  18          2HB       GLU  18  11.455  -5.312   8.480
  165    HB3  GLU  18          3HB       GLU  18  10.664  -4.157   9.544
  166    HG2  GLU  18          2HG       GLU  18  12.919  -2.956   9.614
  167    HG3  GLU  18          3HG       GLU  18  13.345  -3.955   8.226
  Start of MODEL    5
    1    H1   HIS   1           H        HIS   1   2.959  -6.422   4.406
    2    HA   HIS   1           HA       HIS   1   2.779  -8.769   2.704
    3    HB2  HIS   1          2HB       HIS   1   0.583  -6.862   3.532
    4    HB3  HIS   1          3HB       HIS   1   0.381  -8.466   2.832
    5    HD1  HIS   1           HD1      HIS   1  -0.612  -7.372   5.715
    6    HD2  HIS   1           HD2      HIS   1   2.549  -9.952   4.932
    7    HE1  HIS   1           HE1      HIS   1  -0.256  -8.664   7.843
    8    H    VAL   2           H        VAL   2   1.001  -8.331   0.838
    9    HA   VAL   2           HA       VAL   2   2.322  -6.443  -0.943
   10    HB   VAL   2           HB       VAL   2   0.069  -8.308  -1.666
   11   HG11  VAL   2          1HG1      VAL   2   0.407  -7.657  -3.774
   12   HG12  VAL   2          2HG1      VAL   2   1.334  -6.318  -3.093
   13   HG13  VAL   2          3HG1      VAL   2   2.159  -7.786  -3.620
   14   HG21  VAL   2          3HG2      VAL   2   3.023  -8.872  -1.501
   15   HG22  VAL   2          1HG2      VAL   2   1.707  -9.730  -0.699
   16   HG23  VAL   2          2HG2      VAL   2   1.902  -9.851  -2.448
   17    H    PHE   3           H        PHE   3   1.076  -4.973   0.882
   18    HA   PHE   3           HA       PHE   3  -1.259  -3.920  -0.562
   19    HB2  PHE   3          2HB       PHE   3  -0.998  -4.570   2.347
   20    HB3  PHE   3          3HB       PHE   3  -2.012  -3.216   1.860
   21    HD1  PHE   3           HD1      PHE   3  -4.204  -3.583   1.210
   22    HD2  PHE   3           HD2      PHE   3  -1.459  -6.836   1.222
   23    HE1  PHE   3           HE1      PHE   3  -6.050  -5.138   0.731
   24    HE2  PHE   3           HE2      PHE   3  -3.300  -8.396   0.742
   25    HZ   PHE   3           HZ       PHE   3  -5.599  -7.547   0.495
   26    H    ARG   4           H        ARG   4   1.298  -3.251   1.800
   27    HA   ARG   4           HA       ARG   4   2.491  -1.374   2.273
   28    HB2  ARG   4          2HB       ARG   4   2.594  -1.607  -0.388
   29    HB3  ARG   4          3HB       ARG   4   1.737  -0.075  -0.293
   30    HG2  ARG   4          2HG       ARG   4   3.951   0.572  -0.425
   31    HG3  ARG   4          3HG       ARG   4   3.628   0.630   1.309
   32    HD2  ARG   4          2HD       ARG   4   4.650  -1.561   1.590
   33    HD3  ARG   4          3HD       ARG   4   4.926  -1.670  -0.148
   34    HE   ARG   4           HE       ARG   4   6.539  -0.299   1.752
   35   HH11  ARG   4          1HH1      ARG   4   5.408  -0.183  -1.539
   36   HH12  ARG   4          2HH1      ARG   4   6.775   0.713  -2.114
   37   HH21  ARG   4          2HH2      ARG   4   8.444   1.317  -0.666
   38   HH22  ARG   4          1HH2      ARG   4   8.343   0.881   1.006
   39    H    LEU   5           H        LEU   5  -0.291  -1.468   3.026
   40    HA   LEU   5           HA       LEU   5  -1.121   1.335   2.785
   41    HB2  LEU   5          2HB       LEU   5  -2.583  -0.902   2.466
   42    HB3  LEU   5          3HB       LEU   5  -2.844  -0.613   4.185
   43    HG   LEU   5           HG       LEU   5  -4.640   0.327   2.816
   44   HD11  LEU   5          1HD1      LEU   5  -4.311   1.432   4.867
   45   HD12  LEU   5          2HD1      LEU   5  -4.443   2.709   3.659
   46   HD13  LEU   5          3HD1      LEU   5  -2.860   2.251   4.287
   47   HD21  LEU   5          3HD2      LEU   5  -4.337   1.895   1.146
   48   HD22  LEU   5          1HD2      LEU   5  -2.962   0.820   0.894
   49   HD23  LEU   5          2HD2      LEU   5  -2.736   2.359   1.725
   50    H    LYS   6           H        LYS   6   0.095   2.405   4.282
   51    HA   LYS   6           HA       LYS   6   0.630   1.427   6.893
   52    HB2  LYS   6          2HB       LYS   6   0.705   4.293   5.939
   53    HB3  LYS   6          3HB       LYS   6   1.528   3.631   7.345
   54    HG2  LYS   6          2HG       LYS   6   2.089   2.916   4.474
   55    HG3  LYS   6          3HG       LYS   6   3.068   3.973   5.495
   56    HD2  LYS   6          2HD       LYS   6   4.215   2.011   5.753
   57    HD3  LYS   6          3HD       LYS   6   3.061   1.858   7.081
   58    HE2  LYS   6          2HE       LYS   6   2.049   0.101   6.135
   59    HE3  LYS   6          3HE       LYS   6   2.033   0.857   4.543
   60    HZ1  LYS   6          3HZ       LYS   6   3.804  -1.116   5.582
   61    HZ2  LYS   6          1HZ       LYS   6   4.660   0.224   5.004
   62    HZ3  LYS   6          2HZ       LYS   6   3.591  -0.600   3.985
   63    H    LYS   7           H        LYS   7  -1.463   0.804   7.643
   64    HA   LYS   7           HA       LYS   7  -2.683   2.665   9.340
   65    HB2  LYS   7          2HB       LYS   7  -3.643   3.708   7.413
   66    HB3  LYS   7          3HB       LYS   7  -4.131   2.158   6.741
   67    HG2  LYS   7          2HG       LYS   7  -6.079   2.256   7.786
   68    HG3  LYS   7          3HG       LYS   7  -5.286   2.505   9.343
   69    HD2  LYS   7          2HD       LYS   7  -5.803   4.687   7.325
   70    HD3  LYS   7          3HD       LYS   7  -6.849   4.334   8.702
   71    HE2  LYS   7          2HE       LYS   7  -5.453   5.314  10.166
   72    HE3  LYS   7          3HE       LYS   7  -4.016   4.663   9.380
   73    HZ1  LYS   7          3HZ       LYS   7  -5.502   6.794   8.025
   74    HZ2  LYS   7          1HZ       LYS   7  -3.846   6.450   7.998
   75    HZ3  LYS   7          2HZ       LYS   7  -4.530   7.211   9.345
   76    H    TRP   8           H        TRP   8  -3.614  -0.093   7.281
   77    HA   TRP   8           HA       TRP   8  -5.239  -1.312   9.257
   78    HB2  TRP   8          2HB       TRP   8  -4.949  -1.679   6.599
   79    HB3  TRP   8          3HB       TRP   8  -4.000  -3.039   7.193
   80    HD1  TRP   8           HD1      TRP   8  -5.357  -5.173   7.533
   81    HE1  TRP   8           HE1      TRP   8  -7.830  -5.746   7.962
   82    HE3  TRP   8           HE3      TRP   8  -7.243  -0.432   7.864
   83    HZ2  TRP   8           HZ2      TRP   8 -10.258  -4.370   8.385
   84    HZ3  TRP   8           HZ3      TRP   8  -9.651  -0.148   8.282
   85    HH2  TRP   8           HH2      TRP   8 -11.126  -2.077   8.536
   86    H    ILE   9           H        ILE   9  -1.911  -1.016   9.015
   87    HA   ILE   9           HA       ILE   9  -1.463  -2.707  11.268
   88    HB   ILE   9           HB       ILE   9   0.407  -3.966   9.838
   89   HG12  ILE   9          2HG1      ILE   9  -0.524  -4.670   7.669
   90   HG13  ILE   9          3HG1      ILE   9  -1.887  -3.581   7.900
   91   HG21  ILE   9          1HG2      ILE   9  -0.733  -5.712  10.599
   92   HG22  ILE   9          2HG2      ILE   9  -2.049  -4.616  11.017
   93   HG23  ILE   9          3HG2      ILE   9  -2.037  -5.419   9.447
   94   HD11  ILE   9          3HD1      ILE   9   0.083  -2.855   6.404
   95   HD12  ILE   9          1HD1      ILE   9  -0.604  -1.697   7.542
   96   HD13  ILE   9          2HD1      ILE   9   0.904  -2.525   7.929
   97    H    GLN  10           H        GLN  10  -0.999   0.046  10.259
   98    HA   GLN  10           HA       GLN  10   1.625   0.613   9.638
   99    HB2  GLN  10          2HB       GLN  10   1.202   2.813  10.290
  100    HB3  GLN  10          3HB       GLN  10  -0.398   2.195   9.899
  101    HG2  GLN  10          2HG       GLN  10  -0.806   1.793  12.288
  102    HG3  GLN  10          3HG       GLN  10   0.778   2.475  12.655
  103   HE21  GLN  10          2HE2      GLN  10  -0.239   5.784  12.450
  104   HE22  GLN  10          1HE2      GLN  10   1.048   4.653  12.670
  105    H    LYS  11           H        LYS  11   0.335  -0.607  12.580
  106    HA   LYS  11           HA       LYS  11   2.379   0.259  14.347
  107    HB2  LYS  11          2HB       LYS  11   0.189  -0.528  15.136
  108    HB3  LYS  11          3HB       LYS  11   0.550  -2.143  14.540
  109    HG2  LYS  11          2HG       LYS  11   2.432  -0.904  16.476
  110    HG3  LYS  11          3HG       LYS  11   0.880  -1.499  17.068
  111    HD2  LYS  11          2HD       LYS  11   2.241  -3.358  15.269
  112    HD3  LYS  11          3HD       LYS  11   3.149  -3.006  16.742
  113    HE2  LYS  11          2HE       LYS  11   1.879  -4.686  17.567
  114    HE3  LYS  11          3HE       LYS  11   0.718  -3.381  17.803
  115    HZ1  LYS  11          3HZ       LYS  11  -0.284  -5.314  16.735
  116    HZ2  LYS  11          1HZ       LYS  11   0.807  -5.189  15.448
  117    HZ3  LYS  11          2HZ       LYS  11  -0.328  -3.964  15.717
  118    H    VAL  12           H        VAL  12   1.874  -2.761  12.543
  119    HA   VAL  12           HA       VAL  12   4.153  -4.109  13.479
  120    HB   VAL  12           HB       VAL  12   2.648  -4.394  10.878
  121   HG11  VAL  12          1HG1      VAL  12   3.771  -6.604  10.709
  122   HG12  VAL  12          2HG1      VAL  12   4.870  -5.237  10.521
  123   HG13  VAL  12          3HG1      VAL  12   4.822  -6.128  12.042
  124   HG21  VAL  12          3HG2      VAL  12   2.593  -6.449  13.010
  125   HG22  VAL  12          1HG2      VAL  12   1.735  -4.941  13.326
  126   HG23  VAL  12          2HG2      VAL  12   1.317  -5.915  11.916
  127    H    ILE  13           H        ILE  13   3.667  -2.225  10.495
  128    HA   ILE  13           HA       ILE  13   6.337  -2.472   9.592
  129    HB   ILE  13           HB       ILE  13   4.455  -1.859   8.110
  130   HG12  ILE  13          2HG1      ILE  13   5.902   0.448   7.427
  131   HG13  ILE  13          3HG1      ILE  13   7.063  -0.612   8.220
  132   HG21  ILE  13          1HG2      ILE  13   3.489  -0.256   9.867
  133   HG22  ILE  13          2HG2      ILE  13   4.616   0.927   9.205
  134   HG23  ILE  13          3HG2      ILE  13   3.381   0.212   8.170
  135   HD11  ILE  13          3HD1      ILE  13   7.162  -1.963   6.463
  136   HD12  ILE  13          1HD1      ILE  13   5.407  -2.026   6.308
  137   HD13  ILE  13          2HD1      ILE  13   6.310  -0.699   5.578
  138    H    ASP  14           H        ASP  14   4.716  -0.193  11.700
  139    HA   ASP  14           HA       ASP  14   6.498   1.916  11.725
  140    HB2  ASP  14          2HB       ASP  14   4.490   2.175  12.947
  141    HB3  ASP  14          3HB       ASP  14   4.791   0.727  13.904
  142    H    GLN  15           H        GLN  15   6.863  -1.274  13.037
  143    HA   GLN  15           HA       GLN  15   9.417  -0.478  14.267
  144    HB2  GLN  15          2HB       GLN  15   7.385  -2.543  14.978
  145    HB3  GLN  15          3HB       GLN  15   9.073  -2.876  15.343
  146    HG2  GLN  15          2HG       GLN  15   8.646  -0.284  16.254
  147    HG3  GLN  15          3HG       GLN  15   7.194  -1.174  16.709
  148   HE21  GLN  15          2HE2      GLN  15  10.284  -1.449  19.049
  149   HE22  GLN  15          1HE2      GLN  15   9.858  -0.141  18.005
  150    H    PHE  16           H        PHE  16   8.022  -2.124  11.681
  151    HA   PHE  16           HA       PHE  16  10.414  -3.785  11.278
  152    HB2  PHE  16          2HB       PHE  16   7.950  -4.693  11.201
  153    HB3  PHE  16          3HB       PHE  16   7.962  -4.017   9.575
  154    HD1  PHE  16           HD1      PHE  16   9.928  -6.269  11.794
  155    HD2  PHE  16           HD2      PHE  16   8.747  -5.295   7.822
  156    HE1  PHE  16           HE1      PHE  16  11.049  -8.297  10.967
  157    HE2  PHE  16           HE2      PHE  16   9.866  -7.322   6.989
  158    HZ   PHE  16           HZ       PHE  16  11.018  -8.826   8.562
  159    H    GLY  17           H        GLY  17  11.400  -1.585  10.750
  160    HA2  GLY  17          2HA       GLY  17  10.723  -0.627   8.071
  161    HA3  GLY  17          3HA       GLY  17  11.820   0.148   9.205
  162    H    GLU  18           H        GLU  18  11.865  -3.239   8.206
  163    HA   GLU  18           HA       GLU  18  14.314  -2.734   6.671
  164    HB2  GLU  18          2HB       GLU  18  14.705  -3.533   9.109
  165    HB3  GLU  18          3HB       GLU  18  14.142  -5.092   8.523
  166    HG2  GLU  18          2HG       GLU  18  15.934  -5.235   6.959
  167    HG3  GLU  18          3HG       GLU  18  16.425  -3.574   7.289
  Start of MODEL    6
    1    H1   HIS   1           H        HIS   1  -3.266  -7.891   2.072
    2    HA   HIS   1           HA       HIS   1  -0.401  -7.511   2.249
    3    HB2  HIS   1          2HB       HIS   1  -1.887  -9.731   2.432
    4    HB3  HIS   1          3HB       HIS   1  -1.549  -9.779   0.704
    5    HD1  HIS   1           HD1      HIS   1  -0.423 -11.783   2.919
    6    HD2  HIS   1           HD2      HIS   1   1.633  -8.636   1.150
    7    HE1  HIS   1           HE1      HIS   1   2.014 -12.358   3.150
    8    H    VAL   2           H        VAL   2   0.397  -6.066   0.839
    9    HA   VAL   2           HA       VAL   2   0.101  -6.645  -2.002
   10    HB   VAL   2           HB       VAL   2  -0.435  -3.885  -0.895
   11   HG11  VAL   2          1HG1      VAL   2  -1.196  -3.727  -3.444
   12   HG12  VAL   2          2HG1      VAL   2   0.452  -3.372  -2.922
   13   HG13  VAL   2          3HG1      VAL   2   0.065  -4.948  -3.614
   14   HG21  VAL   2          3HG2      VAL   2  -2.711  -4.219  -1.802
   15   HG22  VAL   2          1HG2      VAL   2  -2.294  -5.894  -2.162
   16   HG23  VAL   2          2HG2      VAL   2  -2.328  -5.333  -0.490
   17    H    PHE   3           H        PHE   3   1.410  -4.053   0.075
   18    HA   PHE   3           HA       PHE   3   4.108  -4.770  -0.282
   19    HB2  PHE   3          2HB       PHE   3   3.369  -3.906  -2.622
   20    HB3  PHE   3          3HB       PHE   3   3.444  -2.313  -1.875
   21    HD1  PHE   3           HD1      PHE   3   5.306  -4.989  -3.359
   22    HD2  PHE   3           HD2      PHE   3   5.623  -1.556  -0.863
   23    HE1  PHE   3           HE1      PHE   3   7.731  -4.917  -3.772
   24    HE2  PHE   3           HE2      PHE   3   8.047  -1.478  -1.273
   25    HZ   PHE   3           HZ       PHE   3   9.104  -3.159  -2.729
   26    H    ARG   4           H        ARG   4   1.796  -2.163   0.244
   27    HA   ARG   4           HA       ARG   4   3.595  -1.065   2.305
   28    HB2  ARG   4          2HB       ARG   4   1.444   0.367   0.734
   29    HB3  ARG   4          3HB       ARG   4   2.455   1.089   1.977
   30    HG2  ARG   4          2HG       ARG   4   3.883   1.655   0.384
   31    HG3  ARG   4          3HG       ARG   4   4.235  -0.060   0.163
   32    HD2  ARG   4          2HD       ARG   4   3.627   0.976  -1.953
   33    HD3  ARG   4          3HD       ARG   4   2.424  -0.219  -1.473
   34    HE   ARG   4           HE       ARG   4   1.457   2.139  -0.505
   35   HH11  ARG   4          1HH1      ARG   4   2.465   0.999  -3.636
   36   HH12  ARG   4          2HH1      ARG   4   1.370   2.023  -4.506
   37   HH21  ARG   4          2HH2      ARG   4  -0.024   3.440  -3.369
   38   HH22  ARG   4          1HH2      ARG   4   0.011   3.491  -1.639
   39    H    LEU   5           H        LEU   5   0.434  -2.285   1.574
   40    HA   LEU   5           HA       LEU   5  -1.312  -2.904   2.892
   41    HB2  LEU   5          2HB       LEU   5   0.999  -3.065   4.570
   42    HB3  LEU   5          3HB       LEU   5  -0.372  -2.494   5.520
   43    HG   LEU   5           HG       LEU   5  -0.590  -4.955   3.818
   44   HD11  LEU   5          1HD1      LEU   5   1.324  -5.405   5.169
   45   HD12  LEU   5          2HD1      LEU   5  -0.051  -6.244   5.886
   46   HD13  LEU   5          3HD1      LEU   5   0.537  -4.744   6.603
   47   HD21  LEU   5          3HD2      LEU   5  -2.684  -4.248   4.583
   48   HD22  LEU   5          1HD2      LEU   5  -2.054  -3.793   6.166
   49   HD23  LEU   5          2HD2      LEU   5  -2.200  -5.497   5.732
   50    H    LYS   6           H        LYS   6  -3.013  -2.015   4.152
   51    HA   LYS   6           HA       LYS   6  -3.530   0.662   3.811
   52    HB2  LYS   6          2HB       LYS   6  -5.220   0.362   5.685
   53    HB3  LYS   6          3HB       LYS   6  -5.350  -0.755   4.333
   54    HG2  LYS   6          2HG       LYS   6  -5.552  -2.226   6.047
   55    HG3  LYS   6          3HG       LYS   6  -3.795  -2.236   5.878
   56    HD2  LYS   6          2HD       LYS   6  -3.792  -0.365   7.617
   57    HD3  LYS   6          3HD       LYS   6  -5.473  -0.806   7.922
   58    HE2  LYS   6          2HE       LYS   6  -3.322  -2.888   7.957
   59    HE3  LYS   6          3HE       LYS   6  -3.597  -1.864   9.365
   60    HZ1  LYS   6          3HZ       LYS   6  -5.182  -4.044   8.337
   61    HZ2  LYS   6          1HZ       LYS   6  -6.086  -2.678   8.759
   62    HZ3  LYS   6          2HZ       LYS   6  -5.089  -3.419   9.906
   63    H    LYS   7           H        LYS   7  -3.533   2.480   5.187
   64    HA   LYS   7           HA       LYS   7  -1.237   2.625   6.915
   65    HB2  LYS   7          2HB       LYS   7  -1.958   5.016   7.191
   66    HB3  LYS   7          3HB       LYS   7  -1.661   4.523   5.529
   67    HG2  LYS   7          2HG       LYS   7  -4.017   4.345   5.102
   68    HG3  LYS   7          3HG       LYS   7  -4.387   4.654   6.800
   69    HD2  LYS   7          2HD       LYS   7  -4.713   6.647   5.385
   70    HD3  LYS   7          3HD       LYS   7  -3.481   6.895   6.623
   71    HE2  LYS   7          2HE       LYS   7  -2.946   7.742   4.289
   72    HE3  LYS   7          3HE       LYS   7  -1.730   6.727   5.063
   73    HZ1  LYS   7          3HZ       LYS   7  -2.149   6.151   2.716
   74    HZ2  LYS   7          1HZ       LYS   7  -3.740   5.737   3.116
   75    HZ3  LYS   7          2HZ       LYS   7  -2.449   4.863   3.771
   76    H    TRP   8           H        TRP   8  -2.424   0.851   8.258
   77    HA   TRP   8           HA       TRP   8  -3.463   2.200  10.612
   78    HB2  TRP   8          2HB       TRP   8  -5.296   1.180   8.863
   79    HB3  TRP   8          3HB       TRP   8  -5.041  -0.192   9.936
   80    HD1  TRP   8           HD1      TRP   8  -5.353   3.597  10.752
   81    HE1  TRP   8           HE1      TRP   8  -7.170   3.864  12.556
   82    HE3  TRP   8           HE3      TRP   8  -6.792  -1.290  11.185
   83    HZ2  TRP   8           HZ2      TRP   8  -8.973   2.220  13.976
   84    HZ3  TRP   8           HZ3      TRP   8  -8.569  -1.858  12.789
   85    HH2  TRP   8           HH2      TRP   8  -9.635  -0.138  14.155
   86    H    ILE   9           H        ILE   9  -1.176   0.416   9.538
   87    HA   ILE   9           HA       ILE   9  -1.143  -1.375  11.871
   88    HB   ILE   9           HB       ILE   9   0.327  -2.864  10.259
   89   HG12  ILE   9          2HG1      ILE   9  -0.589  -2.887   7.972
   90   HG13  ILE   9          3HG1      ILE   9  -1.595  -1.496   8.361
   91   HG21  ILE   9          1HG2      ILE   9  -2.521  -2.790  10.913
   92   HG22  ILE   9          2HG2      ILE   9  -2.138  -3.754   9.487
   93   HG23  ILE   9          3HG2      ILE   9  -1.363  -4.115  11.029
   94   HD11  ILE   9          3HD1      ILE   9   1.293  -1.168   8.828
   95   HD12  ILE   9          1HD1      ILE   9   0.785  -1.324   7.147
   96   HD13  ILE   9          2HD1      ILE   9   0.111  -0.045   8.157
   97    H    GLN  10           H        GLN  10   0.039   1.289  11.311
   98    HA   GLN  10           HA       GLN  10   2.747   1.206  10.737
   99    HB2  GLN  10          2HB       GLN  10   0.910   3.087  11.835
  100    HB3  GLN  10          3HB       GLN  10   2.348   3.081  12.846
  101    HG2  GLN  10          2HG       GLN  10   3.702   3.380  10.760
  102    HG3  GLN  10          3HG       GLN  10   2.185   3.621   9.895
  103   HE21  GLN  10          2HE2      GLN  10   2.153   6.986  10.598
  104   HE22  GLN  10          1HE2      GLN  10   1.797   5.673   9.534
  105    H    LYS  11           H        LYS  11   1.080  -0.044  13.449
  106    HA   LYS  11           HA       LYS  11   3.188   0.048  15.351
  107    HB2  LYS  11          2HB       LYS  11   0.828  -0.273  15.981
  108    HB3  LYS  11          3HB       LYS  11   0.831  -1.840  15.183
  109    HG2  LYS  11          2HG       LYS  11   2.847  -1.329  17.307
  110    HG3  LYS  11          3HG       LYS  11   1.171  -1.619  17.779
  111    HD2  LYS  11          2HD       LYS  11   2.147  -3.502  15.774
  112    HD3  LYS  11          3HD       LYS  11   3.064  -3.553  17.282
  113    HE2  LYS  11          2HE       LYS  11   1.390  -5.043  17.761
  114    HE3  LYS  11          3HE       LYS  11   0.669  -3.551  18.361
  115    HZ1  LYS  11          3HZ       LYS  11  -0.259  -3.430  15.946
  116    HZ2  LYS  11          1HZ       LYS  11  -1.025  -4.397  17.105
  117    HZ3  LYS  11          2HZ       LYS  11   0.002  -5.102  15.961
  118    H    VAL  12           H        VAL  12   2.015  -2.513  13.179
  119    HA   VAL  12           HA       VAL  12   3.895  -4.464  13.925
  120    HB   VAL  12           HB       VAL  12   2.428  -4.098  11.310
  121   HG11  VAL  12          1HG1      VAL  12   4.012  -6.454  12.329
  122   HG12  VAL  12          2HG1      VAL  12   2.952  -6.484  10.919
  123   HG13  VAL  12          3HG1      VAL  12   4.385  -5.456  10.924
  124   HG21  VAL  12          3HG2      VAL  12   0.667  -4.751  12.509
  125   HG22  VAL  12          1HG2      VAL  12   1.458  -6.319  12.675
  126   HG23  VAL  12          2HG2      VAL  12   1.670  -5.087  13.920
  127    H    ILE  13           H        ILE  13   3.897  -2.230  11.148
  128    HA   ILE  13           HA       ILE  13   6.425  -2.987  10.166
  129    HB   ILE  13           HB       ILE  13   4.722  -1.703   8.871
  130   HG12  ILE  13          2HG1      ILE  13   7.202  -0.044   8.836
  131   HG13  ILE  13          3HG1      ILE  13   7.357  -1.770   8.523
  132   HG21  ILE  13          1HG2      ILE  13   4.274   0.540   9.232
  133   HG22  ILE  13          2HG2      ILE  13   4.373  -0.099  10.872
  134   HG23  ILE  13          3HG2      ILE  13   5.737   0.784  10.186
  135   HD11  ILE  13          3HD1      ILE  13   6.610  -1.533   6.454
  136   HD12  ILE  13          1HD1      ILE  13   5.203  -0.617   6.993
  137   HD13  ILE  13          2HD1      ILE  13   6.731   0.210   6.693
  138    H    ASP  14           H        ASP  14   5.433  -0.692  12.614
  139    HA   ASP  14           HA       ASP  14   7.670   0.899  12.861
  140    HB2  ASP  14          2HB       ASP  14   5.471   0.072  14.606
  141    HB3  ASP  14          3HB       ASP  14   6.944   0.467  15.487
  142    H    GLN  15           H        GLN  15   7.269  -2.445  13.711
  143    HA   GLN  15           HA       GLN  15   9.948  -2.465  14.930
  144    HB2  GLN  15          2HB       GLN  15   7.486  -4.068  15.388
  145    HB3  GLN  15          3HB       GLN  15   9.029  -4.892  15.567
  146    HG2  GLN  15          2HG       GLN  15   9.716  -3.430  17.294
  147    HG3  GLN  15          3HG       GLN  15   8.380  -2.324  16.979
  148   HE21  GLN  15          2HE2      GLN  15   7.945  -5.436  19.477
  149   HE22  GLN  15          1HE2      GLN  15   9.437  -5.051  18.696
  150    H    PHE  16           H        PHE  16   8.191  -3.340  12.176
  151    HA   PHE  16           HA       PHE  16  10.376  -5.116  11.310
  152    HB2  PHE  16          2HB       PHE  16   7.422  -5.436  11.067
  153    HB3  PHE  16          3HB       PHE  16   8.423  -6.003   9.735
  154    HD1  PHE  16           HD1      PHE  16   7.216  -6.674  13.045
  155    HD2  PHE  16           HD2      PHE  16  10.209  -7.707  10.201
  156    HE1  PHE  16           HE1      PHE  16   7.662  -8.757  14.277
  157    HE2  PHE  16           HE2      PHE  16  10.660  -9.792  11.427
  158    HZ   PHE  16           HZ       PHE  16   9.385 -10.319  13.467
  159    H    GLY  17           H        GLY  17  11.276  -3.009  10.589
  160    HA2  GLY  17          2HA       GLY  17   9.954  -1.729   8.345
  161    HA3  GLY  17          3HA       GLY  17  11.492  -1.263   9.058
  162    H    GLU  18           H        GLU  18  13.401  -2.297   8.380
  163    HA   GLU  18           HA       GLU  18  13.380  -4.357   6.403
  164    HB2  GLU  18          2HB       GLU  18  13.136  -1.666   5.485
  165    HB3  GLU  18          3HB       GLU  18  14.733  -2.254   5.045
  166    HG2  GLU  18          2HG       GLU  18  13.807  -3.233   3.294
  167    HG3  GLU  18          3HG       GLU  18  13.005  -4.339   4.408
  Start of MODEL    7
    1    H1   HIS   1           H        HIS   1  -0.758   1.661  -6.696
    2    HA   HIS   1           HA       HIS   1  -2.736   0.204  -7.023
    3    HB2  HIS   1          2HB       HIS   1  -1.782  -1.867  -5.876
    4    HB3  HIS   1          3HB       HIS   1  -0.721  -1.035  -7.009
    5    HD1  HIS   1           HD1      HIS   1   1.121   0.570  -5.857
    6    HD2  HIS   1           HD2      HIS   1  -0.749  -2.188  -3.374
    7    HE1  HIS   1           HE1      HIS   1   2.580   0.405  -3.815
    8    H    VAL   2           H        VAL   2  -1.767   0.643  -3.629
    9    HA   VAL   2           HA       VAL   2  -2.923   0.439  -1.673
   10    HB   VAL   2           HB       VAL   2  -5.359   1.237  -3.256
   11   HG11  VAL   2          1HG1      VAL   2  -4.884   0.790  -0.524
   12   HG12  VAL   2          2HG1      VAL   2  -5.009   2.538  -0.726
   13   HG13  VAL   2          3HG1      VAL   2  -6.320   1.491  -1.270
   14   HG21  VAL   2          3HG2      VAL   2  -2.938   2.825  -2.531
   15   HG22  VAL   2          1HG2      VAL   2  -3.905   2.857  -4.006
   16   HG23  VAL   2          2HG2      VAL   2  -4.519   3.607  -2.532
   17    H    PHE   3           H        PHE   3  -2.558  -1.995  -2.669
   18    HA   PHE   3           HA       PHE   3  -5.040  -3.417  -3.016
   19    HB2  PHE   3          2HB       PHE   3  -2.409  -3.912  -3.710
   20    HB3  PHE   3          3HB       PHE   3  -2.696  -5.048  -2.397
   21    HD1  PHE   3           HD1      PHE   3  -5.343  -5.982  -2.694
   22    HD2  PHE   3           HD2      PHE   3  -2.554  -4.956  -5.741
   23    HE1  PHE   3           HE1      PHE   3  -6.496  -7.495  -4.255
   24    HE2  PHE   3           HE2      PHE   3  -3.703  -6.466  -7.307
   25    HZ   PHE   3           HZ       PHE   3  -5.678  -7.737  -6.565
   26    H    ARG   4           H        ARG   4  -2.713  -2.879  -0.442
   27    HA   ARG   4           HA       ARG   4  -4.654  -3.813   1.502
   28    HB2  ARG   4          2HB       ARG   4  -3.020  -5.295   2.628
   29    HB3  ARG   4          3HB       ARG   4  -3.467  -5.867   1.026
   30    HG2  ARG   4          2HG       ARG   4  -1.349  -5.878   0.389
   31    HG3  ARG   4          3HG       ARG   4  -1.164  -4.180   0.832
   32    HD2  ARG   4          2HD       ARG   4   0.381  -5.133   2.225
   33    HD3  ARG   4          3HD       ARG   4  -1.042  -5.172   3.265
   34    HE   ARG   4           HE       ARG   4  -0.955  -7.449   3.209
   35   HH11  ARG   4          1HH1      ARG   4   0.853  -6.198   0.509
   36   HH12  ARG   4          2HH1      ARG   4   1.440  -7.751   0.015
   37   HH21  ARG   4          2HH2      ARG   4   0.848  -9.628   1.186
   38   HH22  ARG   4          1HH2      ARG   4  -0.187  -9.500   2.568
   39    H    LEU   5           H        LEU   5  -3.681  -1.240   0.922
   40    HA   LEU   5           HA       LEU   5  -2.970   0.629   2.007
   41    HB2  LEU   5          2HB       LEU   5  -3.646  -1.226   4.072
   42    HB3  LEU   5          3HB       LEU   5  -2.226  -0.307   4.565
   43    HG   LEU   5           HG       LEU   5  -4.035   1.585   3.569
   44   HD11  LEU   5          1HD1      LEU   5  -5.520   0.066   5.642
   45   HD12  LEU   5          2HD1      LEU   5  -5.620  -0.491   3.972
   46   HD13  LEU   5          3HD1      LEU   5  -6.116   1.150   4.385
   47   HD21  LEU   5          3HD2      LEU   5  -2.361   1.528   5.558
   48   HD22  LEU   5          1HD2      LEU   5  -3.760   0.978   6.482
   49   HD23  LEU   5          2HD2      LEU   5  -3.804   2.538   5.659
   50    H    LYS   6           H        LYS   6  -1.049   1.713   2.446
   51    HA   LYS   6           HA       LYS   6   1.305   0.606   1.467
   52    HB2  LYS   6          2HB       LYS   6   2.424   2.576   2.594
   53    HB3  LYS   6          3HB       LYS   6   1.106   2.971   1.498
   54    HG2  LYS   6          2HG       LYS   6   0.468   4.292   3.202
   55    HG3  LYS   6          3HG       LYS   6  -0.261   2.800   3.800
   56    HD2  LYS   6          2HD       LYS   6   1.597   2.388   5.245
   57    HD3  LYS   6          3HD       LYS   6   2.525   3.702   4.517
   58    HE2  LYS   6          2HE       LYS   6  -0.074   4.533   5.565
   59    HE3  LYS   6          3HE       LYS   6   1.011   3.885   6.795
   60    HZ1  LYS   6          3HZ       LYS   6   1.331   6.268   5.108
   61    HZ2  LYS   6          1HZ       LYS   6   2.713   5.461   5.657
   62    HZ3  LYS   6          2HZ       LYS   6   1.600   6.084   6.768
   63    H    LYS   7           H        LYS   7  -0.114   0.359   4.588
   64    HA   LYS   7           HA       LYS   7   2.015  -1.407   5.446
   65    HB2  LYS   7          2HB       LYS   7   1.384   1.174   6.870
   66    HB3  LYS   7          3HB       LYS   7   2.150  -0.183   7.685
   67    HG2  LYS   7          2HG       LYS   7   3.236   1.286   5.290
   68    HG3  LYS   7          3HG       LYS   7   3.796   1.447   6.957
   69    HD2  LYS   7          2HD       LYS   7   3.932  -1.026   5.233
   70    HD3  LYS   7          3HD       LYS   7   5.287  -0.015   5.743
   71    HE2  LYS   7          2HE       LYS   7   4.773  -0.587   8.094
   72    HE3  LYS   7          3HE       LYS   7   3.498  -1.664   7.527
   73    HZ1  LYS   7          3HZ       LYS   7   6.418  -1.930   7.105
   74    HZ2  LYS   7          1HZ       LYS   7   5.284  -2.832   6.231
   75    HZ3  LYS   7          2HZ       LYS   7   5.383  -2.997   7.911
   76    H    TRP   8           H        TRP   8  -0.634   0.394   7.018
   77    HA   TRP   8           HA       TRP   8  -2.545  -0.308   8.042
   78    HB2  TRP   8          2HB       TRP   8  -2.482  -1.883   5.895
   79    HB3  TRP   8          3HB       TRP   8  -2.224  -3.124   7.119
   80    HD1  TRP   8           HD1      TRP   8  -4.236  -1.391   9.215
   81    HE1  TRP   8           HE1      TRP   8  -6.762  -1.770   8.901
   82    HE3  TRP   8           HE3      TRP   8  -4.189  -3.282   4.465
   83    HZ2  TRP   8           HZ2      TRP   8  -8.504  -2.744   6.905
   84    HZ3  TRP   8           HZ3      TRP   8  -6.328  -3.913   3.426
   85    HH2  TRP   8           HH2      TRP   8  -8.440  -3.650   4.623
   86    H    ILE   9           H        ILE   9   0.457  -1.223   8.780
   87    HA   ILE   9           HA       ILE   9  -0.262  -2.064  11.424
   88    HB   ILE   9           HB       ILE   9   1.363  -4.137  11.103
   89   HG12  ILE   9          2HG1      ILE   9   0.903  -5.285   8.972
   90   HG13  ILE   9          3HG1      ILE   9  -0.015  -3.888   8.419
   91   HG21  ILE   9          1HG2      ILE   9  -1.233  -4.975  10.174
   92   HG22  ILE   9          2HG2      ILE   9  -0.463  -5.232  11.739
   93   HG23  ILE   9          3HG2      ILE   9  -1.377  -3.755  11.439
   94   HD11  ILE   9          3HD1      ILE   9   2.157  -3.848   7.422
   95   HD12  ILE   9          1HD1      ILE   9   2.046  -2.531   8.589
   96   HD13  ILE   9          2HD1      ILE   9   2.933  -4.000   8.998
   97    H    GLN  10           H        GLN  10   1.272   0.036  10.080
   98    HA   GLN  10           HA       GLN  10   4.016  -0.262  10.207
   99    HB2  GLN  10          2HB       GLN  10   4.166   2.059  10.154
  100    HB3  GLN  10          3HB       GLN  10   2.582   1.758   9.453
  101    HG2  GLN  10          2HG       GLN  10   1.552   2.227  11.636
  102    HG3  GLN  10          3HG       GLN  10   3.148   2.593  12.288
  103   HE21  GLN  10          2HE2      GLN  10   3.466   5.579  10.259
  104   HE22  GLN  10          1HE2      GLN  10   4.365   4.155  10.642
  105    H    LYS  11           H        LYS  11   1.731  -0.173  12.772
  106    HA   LYS  11           HA       LYS  11   3.476   0.668  14.855
  107    HB2  LYS  11          2HB       LYS  11   1.732  -0.323  16.356
  108    HB3  LYS  11          3HB       LYS  11   1.114   0.851  15.203
  109    HG2  LYS  11          2HG       LYS  11  -0.431  -0.672  14.719
  110    HG3  LYS  11          3HG       LYS  11   0.849  -1.523  13.850
  111    HD2  LYS  11          2HD       LYS  11   1.273  -2.954  15.679
  112    HD3  LYS  11          3HD       LYS  11   0.341  -1.943  16.786
  113    HE2  LYS  11          2HE       LYS  11  -1.708  -2.516  15.571
  114    HE3  LYS  11          3HE       LYS  11  -0.772  -3.530  14.473
  115    HZ1  LYS  11          3HZ       LYS  11  -1.738  -4.108  17.106
  116    HZ2  LYS  11          1HZ       LYS  11  -0.087  -4.441  16.942
  117    HZ3  LYS  11          2HZ       LYS  11  -1.203  -5.165  15.898
  118    H    VAL  12           H        VAL  12   2.484  -2.500  13.622
  119    HA   VAL  12           HA       VAL  12   3.835  -4.047  15.558
  120    HB   VAL  12           HB       VAL  12   3.015  -4.722  12.732
  121   HG11  VAL  12          1HG1      VAL  12   4.824  -6.185  13.341
  122   HG12  VAL  12          2HG1      VAL  12   4.083  -6.515  14.908
  123   HG13  VAL  12          3HG1      VAL  12   3.311  -7.085  13.428
  124   HG21  VAL  12          3HG2      VAL  12   1.749  -5.035  15.427
  125   HG22  VAL  12          1HG2      VAL  12   1.059  -4.396  13.935
  126   HG23  VAL  12          2HG2      VAL  12   1.331  -6.129  14.109
  127    H    ILE  13           H        ILE  13   4.764  -3.124  12.245
  128    HA   ILE  13           HA       ILE  13   7.330  -4.316  12.362
  129    HB   ILE  13           HB       ILE  13   6.255  -3.812  10.228
  130   HG12  ILE  13          2HG1      ILE  13   8.554  -2.010   9.974
  131   HG13  ILE  13          3HG1      ILE  13   8.918  -3.494  10.847
  132   HG21  ILE  13          1HG2      ILE  13   5.522  -1.456  11.316
  133   HG22  ILE  13          2HG2      ILE  13   6.885  -0.938  10.326
  134   HG23  ILE  13          3HG2      ILE  13   5.526  -1.779   9.582
  135   HD11  ILE  13          3HD1      ILE  13   7.642  -4.570   8.794
  136   HD12  ILE  13          1HD1      ILE  13   8.189  -3.088   8.009
  137   HD13  ILE  13          2HD1      ILE  13   9.362  -4.186   8.738
  138    H    ASP  14           H        ASP  14   6.094  -1.168  13.251
  139    HA   ASP  14           HA       ASP  14   8.386   0.355  13.359
  140    HB2  ASP  14          2HB       ASP  14   5.777   0.379  14.708
  141    HB3  ASP  14          3HB       ASP  14   7.063   1.157  15.627
  142    H    GLN  15           H        GLN  15   7.407  -2.261  15.430
  143    HA   GLN  15           HA       GLN  15   9.670  -1.732  17.226
  144    HB2  GLN  15          2HB       GLN  15   7.054  -3.094  17.540
  145    HB3  GLN  15          3HB       GLN  15   8.409  -3.775  18.429
  146    HG2  GLN  15          2HG       GLN  15   8.809  -1.629  19.498
  147    HG3  GLN  15          3HG       GLN  15   7.481  -0.917  18.583
  148   HE21  GLN  15          2HE2      GLN  15   6.343  -1.853  21.999
  149   HE22  GLN  15          1HE2      GLN  15   7.633  -0.893  21.369
  150    H    PHE  16           H        PHE  16   8.640  -3.733  14.677
  151    HA   PHE  16           HA       PHE  16  10.675  -5.756  15.323
  152    HB2  PHE  16          2HB       PHE  16   8.235  -6.423  14.866
  153    HB3  PHE  16          3HB       PHE  16   8.571  -6.025  13.184
  154    HD1  PHE  16           HD1      PHE  16  10.179  -7.345  11.893
  155    HD2  PHE  16           HD2      PHE  16   9.114  -8.398  15.877
  156    HE1  PHE  16           HE1      PHE  16  11.121  -9.592  11.547
  157    HE2  PHE  16           HE2      PHE  16  10.054 -10.646  15.538
  158    HZ   PHE  16           HZ       PHE  16  11.060 -11.245  13.372
  159    H    GLY  17           H        GLY  17  12.429  -4.455  14.611
  160    HA2  GLY  17          2HA       GLY  17  14.016  -4.497  12.804
  161    HA3  GLY  17          3HA       GLY  17  12.671  -4.409  11.676
  162    H    GLU  18           H        GLU  18  14.088  -2.525  14.352
  163    HA   GLU  18           HA       GLU  18  14.349  -0.281  14.648
  164    HB2  GLU  18          2HB       GLU  18  15.553  -0.966  12.275
  165    HB3  GLU  18          3HB       GLU  18  14.515   0.369  11.794
  166    HG2  GLU  18          2HG       GLU  18  15.963   0.928  14.243
  167    HG3  GLU  18          3HG       GLU  18  17.034   0.560  12.892
  Start of MODEL    8
    1    H1   HIS   1           H        HIS   1   3.622  -1.658  -6.038
    2    HA   HIS   1           HA       HIS   1   1.186  -2.558  -5.800
    3    HB2  HIS   1          2HB       HIS   1   3.660  -3.592  -4.480
    4    HB3  HIS   1          3HB       HIS   1   2.125  -4.387  -4.140
    5    HD1  HIS   1           HD1      HIS   1   4.359  -3.532  -7.078
    6    HD2  HIS   1           HD2      HIS   1   1.308  -6.158  -6.050
    7    HE1  HIS   1           HE1      HIS   1   4.178  -5.140  -9.003
    8    H    VAL   2           H        VAL   2  -0.070  -0.932  -4.727
    9    HA   VAL   2           HA       VAL   2  -0.414  -1.522  -1.888
   10    HB   VAL   2           HB       VAL   2  -0.273   1.332  -2.858
   11   HG11  VAL   2          1HG1      VAL   2   0.061   0.677  -0.014
   12   HG12  VAL   2          2HG1      VAL   2  -0.874   1.961  -0.784
   13   HG13  VAL   2          3HG1      VAL   2  -1.536   0.329  -0.677
   14   HG21  VAL   2          3HG2      VAL   2   1.942   0.359  -3.017
   15   HG22  VAL   2          1HG2      VAL   2   1.869   1.468  -1.647
   16   HG23  VAL   2          2HG2      VAL   2   1.809  -0.274  -1.376
   17    H    PHE   3           H        PHE   3  -2.435  -2.288  -1.926
   18    HA   PHE   3           HA       PHE   3  -4.456  -0.898  -3.534
   19    HB2  PHE   3          2HB       PHE   3  -3.941  -3.645  -2.993
   20    HB3  PHE   3          3HB       PHE   3  -5.507  -3.245  -2.295
   21    HD1  PHE   3           HD1      PHE   3  -4.039  -4.546  -5.087
   22    HD2  PHE   3           HD2      PHE   3  -6.901  -1.593  -3.987
   23    HE1  PHE   3           HE1      PHE   3  -5.069  -4.719  -7.315
   24    HE2  PHE   3           HE2      PHE   3  -7.936  -1.762  -6.212
   25    HZ   PHE   3           HZ       PHE   3  -7.020  -3.327  -7.879
   26    H    ARG   4           H        ARG   4  -4.339  -2.535  -0.364
   27    HA   ARG   4           HA       ARG   4  -6.420  -0.752   0.621
   28    HB2  ARG   4          2HB       ARG   4  -5.239  -3.336   1.497
   29    HB3  ARG   4          3HB       ARG   4  -5.893  -2.288   2.748
   30    HG2  ARG   4          2HG       ARG   4  -7.694  -3.625   2.223
   31    HG3  ARG   4          3HG       ARG   4  -7.989  -2.193   1.234
   32    HD2  ARG   4          2HD       ARG   4  -6.678  -3.483  -0.588
   33    HD3  ARG   4          3HD       ARG   4  -7.018  -4.901   0.403
   34    HE   ARG   4           HE       ARG   4  -9.433  -3.613   0.056
   35   HH11  ARG   4          1HH1      ARG   4  -7.011  -5.070  -1.977
   36   HH12  ARG   4          2HH1      ARG   4  -8.138  -5.531  -3.211
   37   HH21  ARG   4          2HH2      ARG   4 -10.363  -5.042  -2.973
   38   HH22  ARG   4          1HH2      ARG   4 -10.925  -4.214  -1.560
   39    H    LEU   5           H        LEU   5  -3.149  -1.768   1.609
   40    HA   LEU   5           HA       LEU   5  -2.622   0.919   2.583
   41    HB2  LEU   5          2HB       LEU   5  -3.098  -1.393   4.313
   42    HB3  LEU   5          3HB       LEU   5  -1.591  -0.544   4.650
   43    HG   LEU   5           HG       LEU   5  -3.588   1.431   4.435
   44   HD11  LEU   5          1HD1      LEU   5  -4.464  -0.973   6.016
   45   HD12  LEU   5          2HD1      LEU   5  -5.342  -0.125   4.743
   46   HD13  LEU   5          3HD1      LEU   5  -5.085   0.652   6.305
   47   HD21  LEU   5          3HD2      LEU   5  -1.533   1.392   5.848
   48   HD22  LEU   5          1HD2      LEU   5  -2.359   0.270   6.930
   49   HD23  LEU   5          2HD2      LEU   5  -2.990   1.902   6.703
   50    H    LYS   6           H        LYS   6  -0.267   0.848   3.625
   51    HA   LYS   6           HA       LYS   6   1.412  -0.586   1.678
   52    HB2  LYS   6          2HB       LYS   6   3.127   1.215   2.435
   53    HB3  LYS   6          3HB       LYS   6   1.842   1.669   1.323
   54    HG2  LYS   6          2HG       LYS   6   2.102   3.368   3.006
   55    HG3  LYS   6          3HG       LYS   6   0.548   2.558   3.219
   56    HD2  LYS   6          2HD       LYS   6   1.439   1.240   5.037
   57    HD3  LYS   6          3HD       LYS   6   3.052   1.907   4.773
   58    HE2  LYS   6          2HE       LYS   6   0.709   3.677   5.386
   59    HE3  LYS   6          3HE       LYS   6   1.618   2.886   6.672
   60    HZ1  LYS   6          3HZ       LYS   6   2.590   4.882   4.715
   61    HZ2  LYS   6          1HZ       LYS   6   3.648   3.925   5.625
   62    HZ3  LYS   6          2HZ       LYS   6   2.586   4.987   6.403
   63    H    LYS   7           H        LYS   7   0.345  -1.179   4.572
   64    HA   LYS   7           HA       LYS   7   2.636  -2.701   5.358
   65    HB2  LYS   7          2HB       LYS   7   2.460  -0.075   6.374
   66    HB3  LYS   7          3HB       LYS   7   1.991  -1.143   7.690
   67    HG2  LYS   7          2HG       LYS   7   4.101  -1.696   8.058
   68    HG3  LYS   7          3HG       LYS   7   4.310  -2.191   6.377
   69    HD2  LYS   7          2HD       LYS   7   4.254   0.711   6.772
   70    HD3  LYS   7          3HD       LYS   7   5.599  -0.100   7.578
   71    HE2  LYS   7          2HE       LYS   7   6.664  -0.332   5.643
   72    HE3  LYS   7          3HE       LYS   7   5.282  -1.177   4.948
   73    HZ1  LYS   7          3HZ       LYS   7   6.113   1.034   3.908
   74    HZ2  LYS   7          1HZ       LYS   7   5.221   1.754   5.152
   75    HZ3  LYS   7          2HZ       LYS   7   4.452   0.741   4.038
   76    H    TRP   8           H        TRP   8  -0.329  -1.244   6.701
   77    HA   TRP   8           HA       TRP   8  -2.197  -2.198   7.597
   78    HB2  TRP   8          2HB       TRP   8  -1.416  -4.040   5.724
   79    HB3  TRP   8          3HB       TRP   8  -1.425  -5.005   7.198
   80    HD1  TRP   8           HD1      TRP   8  -3.982  -3.394   8.492
   81    HE1  TRP   8           HE1      TRP   8  -6.323  -3.972   7.590
   82    HE3  TRP   8           HE3      TRP   8  -2.639  -5.470   4.017
   83    HZ2  TRP   8           HZ2      TRP   8  -7.450  -5.151   5.287
   84    HZ3  TRP   8           HZ3      TRP   8  -4.409  -6.298   2.523
   85    HH2  TRP   8           HH2      TRP   8  -6.764  -6.142   3.147
   86    H    ILE   9           H        ILE   9   0.854  -2.528   8.685
   87    HA   ILE   9           HA       ILE   9  -0.017  -3.185  11.349
   88    HB   ILE   9           HB       ILE   9   1.944  -4.930  11.479
   89   HG12  ILE   9          2HG1      ILE   9   2.070  -6.317   9.439
   90   HG13  ILE   9          3HG1      ILE   9   1.054  -5.153   8.595
   91   HG21  ILE   9          1HG2      ILE   9  -0.301  -6.274  10.219
   92   HG22  ILE   9          2HG2      ILE   9   0.289  -6.370  11.877
   93   HG23  ILE   9          3HG2      ILE   9  -0.809  -5.073  11.406
   94   HD11  ILE   9          3HD1      ILE   9   2.727  -3.556   8.524
   95   HD12  ILE   9          1HD1      ILE   9   3.633  -4.303   9.841
   96   HD13  ILE   9          2HD1      ILE   9   3.596  -5.066   8.251
   97    H    GLN  10           H        GLN  10   1.201  -0.936   9.991
   98    HA   GLN  10           HA       GLN  10   3.916  -0.633  10.317
   99    HB2  GLN  10          2HB       GLN  10   3.579   1.671  10.192
  100    HB3  GLN  10          3HB       GLN  10   2.158   1.016   9.388
  101    HG2  GLN  10          2HG       GLN  10   0.873   1.307  11.460
  102    HG3  GLN  10          3HG       GLN  10   2.296   2.017  12.223
  103   HE21  GLN  10          2HE2      GLN  10   0.643   5.000  11.303
  104   HE22  GLN  10          1HE2      GLN  10   0.830   3.833  12.562
  105    H    LYS  11           H        LYS  11   1.469  -0.857  12.746
  106    HA   LYS  11           HA       LYS  11   2.862   0.368  14.882
  107    HB2  LYS  11          2HB       LYS  11   0.456  -0.032  14.975
  108    HB3  LYS  11          3HB       LYS  11   0.723  -1.769  14.919
  109    HG2  LYS  11          2HG       LYS  11   2.015  -0.235  17.106
  110    HG3  LYS  11          3HG       LYS  11   0.271  -0.498  17.185
  111    HD2  LYS  11          2HD       LYS  11   0.831  -2.964  16.721
  112    HD3  LYS  11          3HD       LYS  11   2.484  -2.526  17.160
  113    HE2  LYS  11          2HE       LYS  11   1.534  -1.589  19.302
  114    HE3  LYS  11          3HE       LYS  11   0.006  -2.349  18.862
  115    HZ1  LYS  11          3HZ       LYS  11   2.150  -4.195  18.651
  116    HZ2  LYS  11          1HZ       LYS  11   0.742  -4.295  19.583
  117    HZ3  LYS  11          2HZ       LYS  11   2.109  -3.515  20.200
  118    H    VAL  12           H        VAL  12   2.517  -3.045  13.932
  119    HA   VAL  12           HA       VAL  12   4.108  -4.144  15.952
  120    HB   VAL  12           HB       VAL  12   3.598  -5.134  13.146
  121   HG11  VAL  12          1HG1      VAL  12   4.329  -7.341  14.012
  122   HG12  VAL  12          2HG1      VAL  12   5.631  -6.152  13.935
  123   HG13  VAL  12          3HG1      VAL  12   4.881  -6.541  15.483
  124   HG21  VAL  12          3HG2      VAL  12   1.846  -6.392  14.027
  125   HG22  VAL  12          1HG2      VAL  12   2.436  -6.232  15.681
  126   HG23  VAL  12          2HG2      VAL  12   1.702  -4.849  14.870
  127    H    ILE  13           H        ILE  13   5.002  -3.286  12.610
  128    HA   ILE  13           HA       ILE  13   7.740  -3.900  12.887
  129    HB   ILE  13           HB       ILE  13   6.606  -3.657  10.702
  130   HG12  ILE  13          2HG1      ILE  13   8.645  -1.635  10.306
  131   HG13  ILE  13          3HG1      ILE  13   9.200  -2.883  11.417
  132   HG21  ILE  13          1HG2      ILE  13   6.793  -0.685  11.128
  133   HG22  ILE  13          2HG2      ILE  13   6.035  -1.546   9.789
  134   HG23  ILE  13          3HG2      ILE  13   5.315  -1.609  11.397
  135   HD11  ILE  13          3HD1      ILE  13   8.280  -3.199   8.580
  136   HD12  ILE  13          1HD1      ILE  13   9.861  -3.568   9.270
  137   HD13  ILE  13          2HD1      ILE  13   8.464  -4.563   9.682
  138    H    ASP  14           H        ASP  14   5.878  -1.003  13.539
  139    HA   ASP  14           HA       ASP  14   7.847   0.919  13.696
  140    HB2  ASP  14          2HB       ASP  14   5.183   0.534  14.868
  141    HB3  ASP  14          3HB       ASP  14   6.238   1.572  15.823
  142    H    GLN  15           H        GLN  15   7.216  -1.737  15.844
  143    HA   GLN  15           HA       GLN  15   9.271  -0.736  17.698
  144    HB2  GLN  15          2HB       GLN  15   7.141  -1.144  18.787
  145    HB3  GLN  15          3HB       GLN  15   7.082  -2.774  18.129
  146    HG2  GLN  15          2HG       GLN  15   8.825  -3.514  19.516
  147    HG3  GLN  15          3HG       GLN  15   9.291  -1.868  19.942
  148   HE21  GLN  15          2HE2      GLN  15   7.596  -2.470  22.930
  149   HE22  GLN  15          1HE2      GLN  15   9.123  -2.293  22.140
  150    H    PHE  16           H        PHE  16   8.639  -3.027  15.291
  151    HA   PHE  16           HA       PHE  16  10.401  -5.084  16.249
  152    HB2  PHE  16          2HB       PHE  16   8.401  -5.263  14.572
  153    HB3  PHE  16          3HB       PHE  16   9.605  -4.806  13.372
  154    HD1  PHE  16           HD1      PHE  16   9.192  -7.213  16.193
  155    HD2  PHE  16           HD2      PHE  16  10.721  -6.488  12.287
  156    HE1  PHE  16           HE1      PHE  16   9.931  -9.556  16.051
  157    HE2  PHE  16           HE2      PHE  16  11.462  -8.830  12.139
  158    HZ   PHE  16           HZ       PHE  16  11.066 -10.367  14.022
  159    H    GLY  17           H        GLY  17  10.584  -2.557  13.756
  160    HA2  GLY  17          2HA       GLY  17  13.324  -2.058  14.168
  161    HA3  GLY  17          3HA       GLY  17  13.152  -3.161  12.810
  162    H    GLU  18           H        GLU  18  11.672  -0.140  14.000
  163    HA   GLU  18           HA       GLU  18  11.002   1.744  12.912
  164    HB2  GLU  18          2HB       GLU  18  13.643   1.256  12.213
  165    HB3  GLU  18          3HB       GLU  18  12.854   1.557  10.671
  166    HG2  GLU  18          2HG       GLU  18  11.959   3.508  12.535
  167    HG3  GLU  18          3HG       GLU  18  13.719   3.426  12.602
  Start of MODEL    9
    1    H1   HIS   1           H        HIS   1   2.309  -4.226  -6.317
    2    HA   HIS   1           HA       HIS   1   0.440  -5.139  -5.346
    3    HB2  HIS   1          2HB       HIS   1   2.038  -7.707  -5.281
    4    HB3  HIS   1          3HB       HIS   1   0.333  -7.557  -4.866
    5    HD1  HIS   1           HD1      HIS   1   2.578  -8.126  -7.680
    6    HD2  HIS   1           HD2      HIS   1  -1.323  -6.800  -7.147
    7    HE1  HIS   1           HE1      HIS   1   1.487  -8.325  -9.937
    8    H    VAL   2           H        VAL   2   1.022  -3.652  -3.655
    9    HA   VAL   2           HA       VAL   2   1.085  -4.816  -1.104
   10    HB   VAL   2           HB       VAL   2   3.416  -5.301  -1.518
   11   HG11  VAL   2          1HG1      VAL   2   4.539  -2.678  -1.630
   12   HG12  VAL   2          2HG1      VAL   2   4.700  -4.005  -2.782
   13   HG13  VAL   2          3HG1      VAL   2   3.366  -2.861  -2.933
   14   HG21  VAL   2          3HG2      VAL   2   3.633  -2.910   0.234
   15   HG22  VAL   2          1HG2      VAL   2   2.502  -4.181   0.697
   16   HG23  VAL   2          2HG2      VAL   2   4.212  -4.555   0.490
   17    H    PHE   3           H        PHE   3  -0.016  -3.429   0.100
   18    HA   PHE   3           HA       PHE   3   0.465  -0.551  -0.238
   19    HB2  PHE   3          2HB       PHE   3  -2.225  -1.925  -0.148
   20    HB3  PHE   3          3HB       PHE   3  -2.010  -0.191   0.065
   21    HD1  PHE   3           HD1      PHE   3  -2.269  -2.895  -2.284
   22    HD2  PHE   3           HD2      PHE   3  -1.050   1.156  -1.816
   23    HE1  PHE   3           HE1      PHE   3  -2.352  -2.592  -4.724
   24    HE2  PHE   3           HE2      PHE   3  -1.132   1.466  -4.255
   25    HZ   PHE   3           HZ       PHE   3  -1.784  -0.408  -5.713
   26    H    ARG   4           H        ARG   4   1.743  -1.733   1.723
   27    HA   ARG   4           HA       ARG   4   2.066  -1.865   3.974
   28    HB2  ARG   4          2HB       ARG   4   0.152   0.437   3.711
   29    HB3  ARG   4          3HB       ARG   4   0.724  -0.083   5.290
   30    HG2  ARG   4          2HG       ARG   4   2.238   1.557   4.799
   31    HG3  ARG   4          3HG       ARG   4   3.080   0.137   4.175
   32    HD2  ARG   4          2HD       ARG   4   3.135   1.041   2.149
   33    HD3  ARG   4          3HD       ARG   4   1.375   1.142   2.133
   34    HE   ARG   4           HE       ARG   4   1.541   3.383   2.547
   35   HH11  ARG   4          1HH1      ARG   4   4.578   1.864   3.312
   36   HH12  ARG   4          2HH1      ARG   4   5.407   3.360   3.589
   37   HH21  ARG   4          2HH2      ARG   4   4.292   5.348   3.360
   38   HH22  ARG   4          1HH2      ARG   4   2.620   5.360   2.908
   39    H    LEU   5           H        LEU   5   0.249  -3.747   2.942
   40    HA   LEU   5           HA       LEU   5  -1.182  -5.353   3.686
   41    HB2  LEU   5          2HB       LEU   5  -0.136  -4.131   6.088
   42    HB3  LEU   5          3HB       LEU   5  -1.791  -4.691   6.323
   43    HG   LEU   5           HG       LEU   5   0.345  -6.486   5.209
   44   HD11  LEU   5          1HD1      LEU   5   0.220  -5.398   7.850
   45   HD12  LEU   5          2HD1      LEU   5   1.370  -6.550   7.172
   46   HD13  LEU   5          3HD1      LEU   5  -0.127  -7.127   7.906
   47   HD21  LEU   5          3HD2      LEU   5  -1.787  -7.394   4.857
   48   HD22  LEU   5          1HD2      LEU   5  -2.370  -6.862   6.434
   49   HD23  LEU   5          2HD2      LEU   5  -1.204  -8.181   6.325
   50    H    LYS   6           H        LYS   6  -2.290  -2.763   5.837
   51    HA   LYS   6           HA       LYS   6  -4.645  -2.333   4.172
   52    HB2  LYS   6          2HB       LYS   6  -6.231  -2.857   5.836
   53    HB3  LYS   6          3HB       LYS   6  -5.098  -4.202   5.847
   54    HG2  LYS   6          2HG       LYS   6  -4.982  -1.885   7.764
   55    HG3  LYS   6          3HG       LYS   6  -5.788  -3.419   8.102
   56    HD2  LYS   6          2HD       LYS   6  -3.451  -4.415   7.402
   57    HD3  LYS   6          3HD       LYS   6  -2.881  -2.808   7.857
   58    HE2  LYS   6          2HE       LYS   6  -3.009  -3.323  10.015
   59    HE3  LYS   6          3HE       LYS   6  -4.700  -3.792   9.843
   60    HZ1  LYS   6          3HZ       LYS   6  -2.693  -5.683   8.890
   61    HZ2  LYS   6          1HZ       LYS   6  -4.174  -5.970   9.655
   62    HZ3  LYS   6          2HZ       LYS   6  -2.831  -5.494  10.565
   63    H    LYS   7           H        LYS   7  -2.169  -0.948   5.456
   64    HA   LYS   7           HA       LYS   7  -1.648   1.185   6.056
   65    HB2  LYS   7          2HB       LYS   7  -4.559   1.902   5.762
   66    HB3  LYS   7          3HB       LYS   7  -3.158   2.948   5.575
   67    HG2  LYS   7          2HG       LYS   7  -2.637   1.150   3.653
   68    HG3  LYS   7          3HG       LYS   7  -4.400   1.080   3.665
   69    HD2  LYS   7          2HD       LYS   7  -4.299   2.858   2.306
   70    HD3  LYS   7          3HD       LYS   7  -3.920   3.776   3.766
   71    HE2  LYS   7          2HE       LYS   7  -1.646   2.430   2.454
   72    HE3  LYS   7          3HE       LYS   7  -2.377   3.759   1.555
   73    HZ1  LYS   7          3HZ       LYS   7  -1.491   3.981   4.377
   74    HZ2  LYS   7          1HZ       LYS   7  -1.975   5.237   3.351
   75    HZ3  LYS   7          2HZ       LYS   7  -0.526   4.416   3.057
   76    H    TRP   8           H        TRP   8  -3.164  -0.899   7.865
   77    HA   TRP   8           HA       TRP   8  -3.504   0.957  10.130
   78    HB2  TRP   8          2HB       TRP   8  -4.930  -1.685   9.765
   79    HB3  TRP   8          3HB       TRP   8  -5.195  -0.507  11.048
   80    HD1  TRP   8           HD1      TRP   8  -5.226   2.048   8.972
   81    HE1  TRP   8           HE1      TRP   8  -7.371   2.428   7.601
   82    HE3  TRP   8           HE3      TRP   8  -7.243  -2.637   9.307
   83    HZ2  TRP   8           HZ2      TRP   8  -9.621   0.938   6.771
   84    HZ3  TRP   8           HZ3      TRP   8  -9.394  -3.078   8.197
   85    HH2  TRP   8           HH2      TRP   8 -10.557  -1.325   6.956
   86    H    ILE   9           H        ILE   9  -1.099  -0.461   9.188
   87    HA   ILE   9           HA       ILE   9  -0.598  -2.103  11.585
   88    HB   ILE   9           HB       ILE   9   1.314  -3.047  10.043
   89   HG12  ILE   9          2HG1      ILE   9   0.589  -3.245   7.697
   90   HG13  ILE   9          3HG1      ILE   9  -0.797  -2.215   8.039
   91   HG21  ILE   9          1HG2      ILE   9   0.116  -4.891  10.335
   92   HG22  ILE   9          2HG2      ILE   9  -1.262  -3.894  10.797
   93   HG23  ILE   9          3HG2      ILE   9  -1.043  -4.369   9.113
   94   HD11  ILE   9          3HD1      ILE   9   1.853  -1.108   8.702
   95   HD12  ILE   9          1HD1      ILE   9   1.484  -1.313   6.990
   96   HD13  ILE   9          2HD1      ILE   9   0.432  -0.327   8.008
   97    H    GLN  10           H        GLN  10  -0.240   0.821  11.060
   98    HA   GLN  10           HA       GLN  10   2.418   1.522  10.671
   99    HB2  GLN  10          2HB       GLN  10   0.032   2.803  11.565
  100    HB3  GLN  10          3HB       GLN  10   1.332   3.237  12.667
  101    HG2  GLN  10          2HG       GLN  10   2.690   3.874  10.659
  102    HG3  GLN  10          3HG       GLN  10   1.232   3.651   9.693
  103   HE21  GLN  10          2HE2      GLN  10  -0.364   6.567  10.847
  104   HE22  GLN  10          1HE2      GLN  10  -0.603   4.992  10.179
  105    H    LYS  11           H        LYS  11   0.994  -0.165  13.265
  106    HA   LYS  11           HA       LYS  11   2.837   0.578  15.314
  107    HB2  LYS  11          2HB       LYS  11   1.934  -1.422  16.497
  108    HB3  LYS  11          3HB       LYS  11   0.692  -0.305  15.948
  109    HG2  LYS  11          2HG       LYS  11  -0.305  -2.144  15.163
  110    HG3  LYS  11          3HG       LYS  11   0.847  -2.000  13.833
  111    HD2  LYS  11          2HD       LYS  11   1.070  -4.219  14.510
  112    HD3  LYS  11          3HD       LYS  11   2.411  -3.407  15.321
  113    HE2  LYS  11          2HE       LYS  11  -0.019  -3.367  16.907
  114    HE3  LYS  11          3HE       LYS  11   0.482  -5.009  16.504
  115    HZ1  LYS  11          3HZ       LYS  11   1.643  -3.167  18.346
  116    HZ2  LYS  11          1HZ       LYS  11   2.790  -3.737  17.240
  117    HZ3  LYS  11          2HZ       LYS  11   1.907  -4.830  18.180
  118    H    VAL  12           H        VAL  12   2.600  -2.158  13.071
  119    HA   VAL  12           HA       VAL  12   4.858  -3.552  14.053
  120    HB   VAL  12           HB       VAL  12   3.510  -3.642  11.353
  121   HG11  VAL  12          1HG1      VAL  12   5.673  -5.410  12.487
  122   HG12  VAL  12          2HG1      VAL  12   4.721  -5.788  11.050
  123   HG13  VAL  12          3HG1      VAL  12   5.781  -4.378  11.062
  124   HG21  VAL  12          3HG2      VAL  12   1.953  -4.584  12.711
  125   HG22  VAL  12          1HG2      VAL  12   2.975  -6.003  12.481
  126   HG23  VAL  12          2HG2      VAL  12   3.135  -5.029  13.942
  127    H    ILE  13           H        ILE  13   4.448  -1.384  11.259
  128    HA   ILE  13           HA       ILE  13   7.156  -1.459  10.453
  129    HB   ILE  13           HB       ILE  13   5.286  -0.715   8.992
  130   HG12  ILE  13          2HG1      ILE  13   6.972   1.664   8.881
  131   HG13  ILE  13          3HG1      ILE  13   7.908   0.187   9.083
  132   HG21  ILE  13          1HG2      ILE  13   5.429   1.968  10.304
  133   HG22  ILE  13          2HG2      ILE  13   4.182   1.303   9.251
  134   HG23  ILE  13          3HG2      ILE  13   4.327   0.734  10.914
  135   HD11  ILE  13          3HD1      ILE  13   6.235   1.081   6.807
  136   HD12  ILE  13          1HD1      ILE  13   7.811   0.289   6.817
  137   HD13  ILE  13          2HD1      ILE  13   6.350  -0.648   7.130
  138    H    ASP  14           H        ASP  14   5.399   0.504  12.754
  139    HA   ASP  14           HA       ASP  14   7.093   2.653  13.095
  140    HB2  ASP  14          2HB       ASP  14   5.082   1.276  14.722
  141    HB3  ASP  14          3HB       ASP  14   6.316   2.093  15.677
  142    H    GLN  15           H        GLN  15   7.561  -0.661  14.012
  143    HA   GLN  15           HA       GLN  15  10.040   0.069  15.421
  144    HB2  GLN  15          2HB       GLN  15   8.089  -2.155  15.751
  145    HB3  GLN  15          3HB       GLN  15   9.781  -2.497  16.088
  146    HG2  GLN  15          2HG       GLN  15   9.861  -0.823  17.780
  147    HG3  GLN  15          3HG       GLN  15   8.261  -0.227  17.341
  148   HE21  GLN  15          2HE2      GLN  15   8.634  -3.047  20.096
  149   HE22  GLN  15          1HE2      GLN  15   9.925  -2.070  19.493
  150    H    PHE  16           H        PHE  16   8.771  -1.372  12.612
  151    HA   PHE  16           HA       PHE  16   9.680  -2.536  10.877
  152    HB2  PHE  16          2HB       PHE  16  10.968  -0.541  10.554
  153    HB3  PHE  16          3HB       PHE  16  12.082  -0.982  11.845
  154    HD1  PHE  16           HD1      PHE  16  10.764  -2.580   8.736
  155    HD2  PHE  16           HD2      PHE  16  14.152  -1.629  11.129
  156    HE1  PHE  16           HE1      PHE  16  12.230  -3.674   7.089
  157    HE2  PHE  16           HE2      PHE  16  15.623  -2.719   9.486
  158    HZ   PHE  16           HZ       PHE  16  14.663  -3.743   7.463
  159    H    GLY  17           H        GLY  17   9.365  -4.607  11.801
  160    HA2  GLY  17          2HA       GLY  17  11.571  -5.796  13.288
  161    HA3  GLY  17          3HA       GLY  17  10.014  -6.541  12.959
  162    H    GLU  18           H        GLU  18   9.750  -7.801  11.159
  163    HA   GLU  18           HA       GLU  18  11.946  -7.963   9.236
  164    HB2  GLU  18          2HB       GLU  18  11.883 -10.474   9.404
  165    HB3  GLU  18          3HB       GLU  18  12.586  -9.652  10.789
  166    HG2  GLU  18          2HG       GLU  18  10.529  -9.938  12.038
  167    HG3  GLU  18          3HG       GLU  18   9.768 -10.699  10.642
  Start of MODEL   10
    1    H1   HIS   1           H        HIS   1 -11.197  -5.051  -1.320
    2    HA   HIS   1           HA       HIS   1  -9.715  -3.700  -2.440
    3    HB2  HIS   1          2HB       HIS   1 -12.072  -2.110  -2.414
    4    HB3  HIS   1          3HB       HIS   1 -10.725  -1.069  -1.962
    5    HD1  HIS   1           HD1      HIS   1  -8.568  -1.379  -3.720
    6    HD2  HIS   1           HD2      HIS   1 -12.385  -2.285  -5.087
    7    HE1  HIS   1           HE1      HIS   1  -8.419  -1.303  -6.229
    8    H    VAL   2           H        VAL   2  -7.807  -2.996  -1.679
    9    HA   VAL   2           HA       VAL   2  -7.436  -1.170   0.417
   10    HB   VAL   2           HB       VAL   2  -8.285  -2.882   1.895
   11   HG11  VAL   2          1HG1      VAL   2  -6.220  -4.861   1.670
   12   HG12  VAL   2          2HG1      VAL   2  -7.970  -5.054   1.550
   13   HG13  VAL   2          3HG1      VAL   2  -7.026  -4.650   0.116
   14   HG21  VAL   2          3HG2      VAL   2  -6.396  -3.101   3.416
   15   HG22  VAL   2          1HG2      VAL   2  -5.281  -2.701   2.109
   16   HG23  VAL   2          2HG2      VAL   2  -6.426  -1.493   2.692
   17    H    PHE   3           H        PHE   3  -5.523  -0.308  -0.013
   18    HA   PHE   3           HA       PHE   3  -3.140  -1.802  -0.286
   19    HB2  PHE   3          2HB       PHE   3  -4.463  -2.001  -2.579
   20    HB3  PHE   3          3HB       PHE   3  -3.749  -0.416  -2.857
   21    HD1  PHE   3           HD1      PHE   3  -1.471  -0.181  -3.418
   22    HD2  PHE   3           HD2      PHE   3  -2.982  -3.960  -2.170
   23    HE1  PHE   3           HE1      PHE   3   0.628  -1.250  -4.127
   24    HE2  PHE   3           HE2      PHE   3  -0.885  -5.035  -2.877
   25    HZ   PHE   3           HZ       PHE   3   0.924  -3.680  -3.856
   26    H    ARG   4           H        ARG   4  -4.190   0.478   1.147
   27    HA   ARG   4           HA       ARG   4  -2.484   2.648   0.132
   28    HB2  ARG   4          2HB       ARG   4  -3.810   4.166   1.468
   29    HB3  ARG   4          3HB       ARG   4  -4.879   3.188   0.471
   30    HG2  ARG   4          2HG       ARG   4  -5.990   2.537   2.267
   31    HG3  ARG   4          3HG       ARG   4  -4.513   1.867   2.963
   32    HD2  ARG   4          2HD       ARG   4  -4.173   3.658   4.301
   33    HD3  ARG   4          3HD       ARG   4  -4.797   4.798   3.110
   34    HE   ARG   4           HE       ARG   4  -6.263   3.531   5.224
   35   HH11  ARG   4          1HH1      ARG   4  -6.497   4.971   2.063
   36   HH12  ARG   4          2HH1      ARG   4  -8.168   5.395   2.236
   37   HH21  ARG   4          2HH2      ARG   4  -9.285   4.890   4.171
   38   HH22  ARG   4          1HH2      ARG   4  -8.464   4.083   5.464
   39    H    LEU   5           H        LEU   5  -1.437   0.351   1.532
   40    HA   LEU   5           HA       LEU   5  -0.323   1.725   3.883
   41    HB2  LEU   5          2HB       LEU   5  -0.081  -0.752   4.735
   42    HB3  LEU   5          3HB       LEU   5  -1.556   0.176   5.003
   43    HG   LEU   5           HG       LEU   5  -1.446  -1.494   2.557
   44   HD11  LEU   5          1HD1      LEU   5  -1.402  -2.585   5.339
   45   HD12  LEU   5          2HD1      LEU   5  -0.577  -3.166   3.893
   46   HD13  LEU   5          3HD1      LEU   5  -2.314  -3.408   4.074
   47   HD21  LEU   5          3HD2      LEU   5  -3.356  -0.009   3.815
   48   HD22  LEU   5          1HD2      LEU   5  -3.716  -1.633   4.400
   49   HD23  LEU   5          2HD2      LEU   5  -3.676  -1.310   2.667
   50    H    LYS   6           H        LYS   6   1.824   1.854   3.890
   51    HA   LYS   6           HA       LYS   6   3.420   1.067   1.760
   52    HB2  LYS   6          2HB       LYS   6   5.322   1.350   3.518
   53    HB3  LYS   6          3HB       LYS   6   4.354   2.745   3.058
   54    HG2  LYS   6          2HG       LYS   6   3.432   2.946   5.099
   55    HG3  LYS   6          3HG       LYS   6   3.345   1.201   5.351
   56    HD2  LYS   6          2HD       LYS   6   5.874   2.840   5.507
   57    HD3  LYS   6          3HD       LYS   6   4.912   2.340   6.900
   58    HE2  LYS   6          2HE       LYS   6   5.780   0.283   6.879
   59    HE3  LYS   6          3HE       LYS   6   5.551   0.120   5.139
   60    HZ1  LYS   6          3HZ       LYS   6   7.652   0.749   4.716
   61    HZ2  LYS   6          1HZ       LYS   6   7.936   0.252   6.308
   62    HZ3  LYS   6          2HZ       LYS   6   7.696   1.890   5.964
   63    H    LYS   7           H        LYS   7   2.389  -0.718   4.540
   64    HA   LYS   7           HA       LYS   7   3.621  -3.116   3.466
   65    HB2  LYS   7          2HB       LYS   7   5.074  -1.810   5.321
   66    HB3  LYS   7          3HB       LYS   7   4.050  -2.771   6.379
   67    HG2  LYS   7          2HG       LYS   7   4.822  -4.806   5.395
   68    HG3  LYS   7          3HG       LYS   7   5.695  -3.924   4.140
   69    HD2  LYS   7          2HD       LYS   7   6.294  -3.585   7.068
   70    HD3  LYS   7          3HD       LYS   7   7.073  -4.821   6.079
   71    HE2  LYS   7          2HE       LYS   7   7.099  -1.873   5.449
   72    HE3  LYS   7          3HE       LYS   7   8.386  -2.713   6.313
   73    HZ1  LYS   7          3HZ       LYS   7   8.727  -4.116   4.382
   74    HZ2  LYS   7          1HZ       LYS   7   8.885  -2.486   3.957
   75    HZ3  LYS   7          2HZ       LYS   7   7.477  -3.333   3.554
   76    H    TRP   8           H        TRP   8   2.723  -5.064   4.321
   77    HA   TRP   8           HA       TRP   8  -0.045  -4.867   4.904
   78    HB2  TRP   8          2HB       TRP   8   1.721  -6.878   4.051
   79    HB3  TRP   8          3HB       TRP   8   1.047  -7.458   5.572
   80    HD1  TRP   8           HD1      TRP   8  -1.885  -6.838   5.521
   81    HE1  TRP   8           HE1      TRP   8  -3.482  -7.696   3.694
   82    HE3  TRP   8           HE3      TRP   8   1.528  -7.764   1.828
   83    HZ2  TRP   8           HZ2      TRP   8  -3.317  -8.641   1.040
   84    HZ3  TRP   8           HZ3      TRP   8   0.726  -8.645  -0.325
   85    HH2  TRP   8           HH2      TRP   8  -1.647  -9.074  -0.709
   86    H    ILE   9           H        ILE   9   2.586  -4.424   6.869
   87    HA   ILE   9           HA       ILE   9   0.953  -4.570   9.248
   88    HB   ILE   9           HB       ILE   9   2.891  -5.864  10.420
   89   HG12  ILE   9          2HG1      ILE   9   3.851  -7.621   8.925
   90   HG13  ILE   9          3HG1      ILE   9   3.164  -6.770   7.546
   91   HG21  ILE   9          1HG2      ILE   9   0.386  -6.540   9.531
   92   HG22  ILE   9          2HG2      ILE   9   1.395  -7.820   8.860
   93   HG23  ILE   9          3HG2      ILE   9   1.396  -7.516  10.597
   94   HD11  ILE   9          3HD1      ILE   9   4.593  -4.924   7.854
   95   HD12  ILE   9          1HD1      ILE   9   5.093  -5.482   9.450
   96   HD13  ILE   9          2HD1      ILE   9   5.601  -6.362   8.008
   97    H    GLN  10           H        GLN  10   2.239  -2.468   7.789
   98    HA   GLN  10           HA       GLN  10   4.680  -1.607   8.719
   99    HB2  GLN  10          2HB       GLN  10   4.115   0.519   7.954
  100    HB3  GLN  10          3HB       GLN  10   3.071  -0.530   7.005
  101    HG2  GLN  10          2HG       GLN  10   1.226  -0.068   8.560
  102    HG3  GLN  10          3HG       GLN  10   2.278   1.028   9.455
  103   HE21  GLN  10          2HE2      GLN  10   0.700   2.119   5.857
  104   HE22  GLN  10          1HE2      GLN  10   0.724   0.465   6.357
  105    H    LYS  11           H        LYS  11   1.664  -1.776  10.409
  106    HA   LYS  11           HA       LYS  11   2.248   0.065  12.483
  107    HB2  LYS  11          2HB       LYS  11   0.434  -1.134  13.716
  108    HB3  LYS  11          3HB       LYS  11  -0.031  -0.586  12.111
  109    HG2  LYS  11          2HG       LYS  11  -0.831  -2.658  11.872
  110    HG3  LYS  11          3HG       LYS  11   0.853  -3.098  11.577
  111    HD2  LYS  11          2HD       LYS  11   0.201  -4.623  13.201
  112    HD3  LYS  11          3HD       LYS  11   0.984  -3.357  14.150
  113    HE2  LYS  11          2HE       LYS  11  -0.945  -2.725  15.138
  114    HE3  LYS  11          3HE       LYS  11  -1.901  -2.995  13.681
  115    HZ1  LYS  11          3HZ       LYS  11  -0.830  -5.302  15.155
  116    HZ2  LYS  11          1HZ       LYS  11  -2.211  -5.198  14.183
  117    HZ3  LYS  11          2HZ       LYS  11  -2.214  -4.521  15.733
  118    H    VAL  12           H        VAL  12   2.640  -3.449  12.199
  119    HA   VAL  12           HA       VAL  12   3.623  -3.875  14.809
  120    HB   VAL  12           HB       VAL  12   4.017  -5.475  12.280
  121   HG11  VAL  12          1HG1      VAL  12   4.737  -6.161  15.126
  122   HG12  VAL  12          2HG1      VAL  12   4.686  -7.323  13.799
  123   HG13  VAL  12          3HG1      VAL  12   5.840  -5.990  13.761
  124   HG21  VAL  12          3HG2      VAL  12   2.446  -6.974  13.864
  125   HG22  VAL  12          1HG2      VAL  12   1.962  -5.363  14.395
  126   HG23  VAL  12          2HG2      VAL  12   1.819  -5.811  12.695
  127    H    ILE  13           H        ILE  13   5.324  -3.502  11.703
  128    HA   ILE  13           HA       ILE  13   7.925  -3.640  12.814
  129    HB   ILE  13           HB       ILE  13   7.415  -4.023  10.410
  130   HG12  ILE  13          2HG1      ILE  13   9.353  -1.840  10.198
  131   HG13  ILE  13          3HG1      ILE  13   9.662  -2.908  11.563
  132   HG21  ILE  13          1HG2      ILE  13   7.327  -1.037  10.111
  133   HG22  ILE  13          2HG2      ILE  13   6.931  -2.274   8.920
  134   HG23  ILE  13          3HG2      ILE  13   5.865  -2.005  10.298
  135   HD11  ILE  13          3HD1      ILE  13  10.810  -4.084  10.044
  136   HD12  ILE  13          1HD1      ILE  13   9.221  -4.716   9.613
  137   HD13  ILE  13          2HD1      ILE  13   9.926  -3.393   8.684
  138    H    ASP  14           H        ASP  14   5.663  -1.023  12.308
  139    HA   ASP  14           HA       ASP  14   7.292   1.195  12.460
  140    HB2  ASP  14          2HB       ASP  14   5.005   1.581  12.038
  141    HB3  ASP  14          3HB       ASP  14   4.502   0.695  13.475
  142    H    GLN  15           H        GLN  15   6.440  -1.059  14.959
  143    HA   GLN  15           HA       GLN  15   7.757   0.634  16.969
  144    HB2  GLN  15          2HB       GLN  15   5.602  -1.404  17.092
  145    HB3  GLN  15          3HB       GLN  15   6.710  -1.337  18.456
  146    HG2  GLN  15          2HG       GLN  15   5.967   0.690  19.147
  147    HG3  GLN  15          3HG       GLN  15   5.561   1.222  17.516
  148   HE21  GLN  15          2HE2      GLN  15   2.211   0.553  17.910
  149   HE22  GLN  15          1HE2      GLN  15   3.485   1.424  17.134
  150    H    PHE  16           H        PHE  16   8.159  -2.135  15.052
  151    HA   PHE  16           HA       PHE  16  10.501  -2.919  16.654
  152    HB2  PHE  16          2HB       PHE  16   8.400  -4.660  15.398
  153    HB3  PHE  16          3HB       PHE  16  10.029  -5.274  15.660
  154    HD1  PHE  16           HD1      PHE  16  10.726  -5.999  17.779
  155    HD2  PHE  16           HD2      PHE  16   7.071  -3.858  17.367
  156    HE1  PHE  16           HE1      PHE  16  10.147  -6.546  20.107
  157    HE2  PHE  16           HE2      PHE  16   6.486  -4.401  19.694
  158    HZ   PHE  16           HZ       PHE  16   8.025  -5.746  21.068
  159    H    GLY  17           H        GLY  17  11.577  -1.401  15.172
  160    HA2  GLY  17          2HA       GLY  17  12.359  -2.800  12.705
  161    HA3  GLY  17          3HA       GLY  17  11.880  -1.111  12.622
  162    H    GLU  18           H        GLU  18  13.099   0.304  14.298
  163    HA   GLU  18           HA       GLU  18  15.951  -0.387  14.077
  164    HB2  GLU  18          2HB       GLU  18  15.315   1.624  12.842
  165    HB3  GLU  18          3HB       GLU  18  14.627   2.322  14.301
  166    HG2  GLU  18          2HG       GLU  18  16.789   2.472  15.322
  167    HG3  GLU  18          3HG       GLU  18  17.529   1.597  13.982