*HEADER    ANTIMICROBIAL PROTEIN                   23-MAR-11   2LB7              
*TITLE     HEVEIN-TYPE ANTIFUNGAL PEPTIDE WITH A UNIQUE 10-CYSTEINE MOTIF        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIMICROBIAL PEPTIDE 1A;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: WAMP-1A;                                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: TRITICUM KIHARAE;                               
*SOURCE   3 ORGANISM_COMMON: WHEAT;                                              
*SOURCE   4 ORGANISM_TAXID: 376535;                                              
*SOURCE   5 STRAIN: DOROF. & MIGUSH.;                                            
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-32B                                    
*KEYWDS    ANTIMICROBIAL PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.A.BALASHOVA, A.A.VASSILEVSKI, T.I.ODINTSOVA, E.V.GRISHIN,           
*AUTHOR   2 T.A.EGOROV, A.S.ARSENIEV                                             
*REVDAT   2   27-JUL-11 2LB7    1       JRNL                                     
*REVDAT   1   13-APR-11 2LB7    0                                                


 19 CYSS H      19 CYSS HB3     3.67            #peak    33
 22 TYR  HB3    23 GLY  H       5.50            #peak    40
 30 ALA  H      32 CYSS H       4.76            #peak    54
 36 SER  H      36 SER  HB2     3.52            #peak    92
  4 CYSS H       4 CYSS HB2     3.95            #peak    97
  4 CYSS HB2     5 GLY  H       3.83            #peak    98
 18 CYSS H      18 CYSS HB2     2.93            #peak   113
  2 GLN  HB2     3 ARG  H       3.89            #peak   121
 17 LEU  H      17 LEU  HB3     2.87            #peak   148
 12 LYS  H      12 LYS  HB3     3.67            #peak   166
 42 ARG  HA     43 GLY  H       3.11            #peak   168
 42 ARG  H      42 ARG  HA      2.90            #peak   173
 25 CYSS HA     26 GLY  H       2.49            #peak   177
 26 GLY  HA3    27 SER  H       2.80            #peak   186
  1 ALA  HA      2 GLN  H       2.59            #peak   213
 20 GLY  HA2    21 LYS  H       2.99            #peak   233
 39 SER  HA     40 GLN  H       2.65            #peak   243
 28 GLY  HA2    29 ASP  H       2.71            #peak   246
 28 GLY  H      28 GLY  HA2     2.90            #peak   249
 37 CYSS HB3    38 GLN  H       5.04            #peak   251
 32 CYSS HB3    33 GLY  H       3.67            #peak   253
 37 CYSS H      37 CYSS HB3     2.96            #peak   254
 41 CYSS H      41 CYSS HB2     2.74            #peak   289
 32 CYSS H      33 GLY  H       2.80            #peak   339
 33 GLY  H      34 ALA  H       4.63            #peak   345
 21 LYS  H      38 GLN  H       4.01            #peak   368
 27 SER  HB2    28 GLY  H       3.61            #peak   413
 27 SER  H      27 SER  HB2     3.52            #peak   414
 10 GLY  H      11 ALA  H       2.99            #peak   421
  5 GLY  H      11 ALA  H       3.73            #peak   425
 14 PRO  HB2    15 ASN  H       3.61            #peak   435
  4 CYSS HA      5 GLY  H       2.68            #peak   533
  9 ARG  H       9 ARG  HA      2.43            #peak   562
  5 GLY  HA2     6 ASP  H       2.99            #peak   576
 16 CYSS H      17 LEU  H       4.54            #peak   586
 12 LYS  HA     13 CYSS H       2.49            #peak   594
 21 LYS  H      21 LYS  HB2     2.93            #peak   600
  8 ALA  H      10 GLY  H       3.55            #peak   638
  7 GLN  H       8 ALA  H       2.83            #peak   641
  8 ALA  H       9 ARG  H       2.87            #peak   642
 19 CYSS H      19 CYSS HB2     3.36            #peak   670
  9 ARG  H      10 GLY  H       3.36            #peak   680
 28 GLY  H      29 ASP  H       5.50            #peak   687
 35 GLY  H      37 CYSS H       4.14            #peak   698
 36 SER  H      37 CYSS H       2.65            #peak   699
 31 TYR  H      32 CYSS H       2.43            #peak   715
 30 ALA  H      31 TYR  H       2.99            #peak   721
 40 GLN  H      41 CYSS H       3.02            #peak   727
  6 ASP  H       6 ASP  HB3     3.17            #peak   745
 15 ASN  H      15 ASN  HB3     3.48            #peak   759
 43 GLY  HA3    44 CYSS H       2.93            #peak   766
 17 LEU  H      17 LEU  HB2     2.87            #peak   774
 12 LYS  H      12 LYS  HB2     2.68            #peak   792
 34 ALA  H      35 GLY  H       4.45            #peak   828
 14 PRO  HA     15 ASN  H       2.56            #peak   833
 22 TYR  HB2    23 GLY  H       5.50            #peak   889
 37 CYSS HB2    38 GLN  H       4.63            #peak   904
 37 CYSS H      37 CYSS HB2     2.90            #peak   906
  2 GLN  HA      3 ARG  H       2.40            #peak   971
 33 GLY  H      33 GLY  HA3     2.90            #peak  1008
 33 GLY  HA3    34 ALA  H       3.02            #peak  1009
 21 LYS  H      21 LYS  HA      2.90            #peak  1030
 24 PHE  HA     25 CYSS H       2.52            #peak  1057
  4 CYSS H      24 PHE  HA      3.73            #peak  1060
  4 CYSS H      23 GLY  HA3     3.86            #peak  1067
 27 SER  HB3    28 GLY  H       3.61            #peak  1070
 27 SER  H      27 SER  HB3     3.52            #peak  1071
 11 ALA  HA     12 LYS  H       2.40            #peak  1077
 29 ASP  H      30 ALA  H       4.07            #peak  1080
 19 CYSS HA     20 GLY  H       2.56            #peak  1134
 22 TYR  HA     23 GLY  H       2.90            #peak  1137
 36 SER  H      36 SER  HB3     3.52            #peak  1174
  4 CYSS HB3     5 GLY  H       2.77            #peak  1179
 18 CYSS HB3    19 CYSS H       3.08            #peak  1188
 18 CYSS H      18 CYSS HB3     4.20            #peak  1191
  2 GLN  HB3     3 ARG  H       3.89            #peak  1205
 15 ASN  HA     16 CYSS H       2.68            #peak  1217
  5 GLY  HA3     6 ASP  H       2.99            #peak  1221
 17 LEU  HA     18 CYSS H       2.52            #peak  1233
 42 ARG  H      43 GLY  H       3.33            #peak  1244
 26 GLY  HA2    27 SER  H       2.80            #peak  1268
  8 ALA  H       8 ALA  HA      2.93            #peak  1272
  8 ALA  HA      9 ARG  H       3.02            #peak  1274
 38 GLN  H      39 SER  H       2.65            #peak  1318
 28 GLY  HA3    29 ASP  H       2.71            #peak  1328
 28 GLY  H      28 GLY  HA3     2.90            #peak  1331
 37 CYSS HA     38 GLN  H       2.56            #peak  1334
 21 LYS  H      37 CYSS HA      3.36            #peak  1336
 41 CYSS H      41 CYSS HB3     3.61            #peak  1364
  6 ASP  H       6 ASP  HB2     3.17            #peak  1378
 40 GLN  HA     41 CYSS H       2.74            #peak  1383
 40 GLN  H      40 GLN  HA      2.40            #peak  1384
 27 SER  HA     28 GLY  H       2.71            #peak  1437
 18 CYSS H      27 SER  HA      4.01            #peak  1441
 14 PRO  HB3    15 ASN  H       3.61            #peak  1451
 23 GLY  H      24 PHE  H       2.90            #peak  1481
 20 GLY  H      24 PHE  H       3.67            #peak  1487
 32 CYSS HB2    33 GLY  H       3.67            #peak  1525
  6 ASP  H       7 GLN  H       3.08            #peak  1542
 35 GLY  H      36 SER  H       2.99            #peak  1563
 18 CYSS H      26 GLY  H       3.55            #peak  1605
 33 GLY  H      33 GLY  HA2     2.90            #peak  1671
 33 GLY  HA2    34 ALA  H       3.02            #peak  1672
 21 LYS  H      21 LYS  HB3     2.80            #peak  1688
 21 LYS  HB3    22 TYR  H       4.48            #peak  1689
 16 CYSS H      16 CYSS HA      2.71            #peak  1699
  4 CYSS H      23 GLY  HA2     3.86            #peak  1716
 30 ALA  H      30 ALA  HA      2.83            #peak  1728
 43 GLY  HA2    44 CYSS H       2.93            #peak  1743
  9 ARG  HA     10 GLY  H       2.93            #peak  1755
  7 GLN  HA      8 ALA  H       3.42            #peak  1756
 20 GLY  H      25 CYSS HA      3.98            #peak  1760
 41 CYSS HB2    42 ARG  H       4.45            #peak  1761
 41 CYSS HB3    42 ARG  H       4.69            #peak  1762
 29 ASP  H      31 TYR  H       4.60            #peak  1770
 31 TYR  H      33 GLY  H       4.17            #peak  1771
 18 CYSS HA     19 CYSS H       2.65            #peak  1773
 39 SER  HA     41 CYSS H       3.70            #peak  1774
 21 LYS  HA     38 GLN  H       4.14            #peak  1775
 29 ASP  H      29 ASP  QB      4.18            #peak  1785
 29 ASP  QB     30 ALA  H       4.61            #peak  1786
 37 CYSS HA     39 SER  H       4.20            #peak  1800
 20 GLY  HA3    21 LYS  H       2.99            #peak  1801
  6 ASP  HA      9 ARG  H       3.76            #peak  1803
 18 CYSS HB2    19 CYSS H       4.14            #peak  1804
 29 ASP  HA     33 GLY  H       3.02            #peak  1807
  7 GLN  H       7 GLN  HG2     5.28            #peak    79
 42 ARG  H      42 ARG  QG      5.51            #peak   392
  2 GLN  H       2 GLN  HG2     5.44            #peak   550
 21 LYS  H      21 LYS  QD      6.38            #peak   877
  3 ARG  HE      4 CYSS H       5.34            #peak   949
 21 LYS  H      21 LYS  HG2     4.79            #peak   954
  9 ARG  H       9 ARG  QG      4.74            #peak   990
  7 GLN  H       7 GLN  HG3     5.28            #peak  1159
 12 LYS  H      12 LYS  QG      5.39            #peak  1242
 21 LYS  H      21 LYS  HG3     4.79            #peak  1591
  2 GLN  H       2 GLN  HG3     5.44            #peak  1616
 22 TYR  HA     22 TYR  QD      5.77            #peak  1783
  4 CYSS HB2    13 CYSS H       4.20            #peak  1792
  4 CYSS HB3    13 CYSS H       5.50            #peak  1793
 17 LEU  H      17 LEU  QD2     6.33            #peak   355
 34 ALA  H      34 ALA  QB      3.45            #peak   430
 34 ALA  QB     35 GLY  H       4.69            #peak   432
 30 ALA  QB     31 TYR  H       5.37            #peak   648
 30 ALA  H      30 ALA  QB      3.60            #peak   649
 30 ALA  QB     31 TYR  QD      7.53            #peak   650
 17 LEU  H      17 LEU  QD1     6.33            #peak  1014
  1 ALA  QB      2 GLN  H       4.75            #peak  1276
 11 ALA  H      11 ALA  QB      3.60            #peak  1719
 11 ALA  QB     12 LYS  H       4.26            #peak  1737
  4 CYSS H       8 ALA  QB      4.91            #peak  1789
  8 ALA  QB      9 ARG  H       5.99            #peak  1790
  7 GLN  H       8 ALA  QB      5.56            #peak  1791
 17 LEU  QD1    26 GLY  H       6.52            #peak  1798
 17 LEU  QD2    26 GLY  H       6.52            #peak  1799
 19 CYSS HA     25 CYSS HA      2.40            #peak  1759
  3 ARG  HA     24 PHE  HA      2.40            #peak  1760
  4 CYSS HA     11 ALA  QB      3.42            #peak  1770
  2 GLN  H       2 GLN  QG      4.79            #peak  1616
  2 GLN  QG      2 GLN  QE2     3.12            #peak  1620
  3 ARG  H       3 ARG  QB      3.19            #peak  1549
  3 ARG  QB      3 ARG  HE      3.66            #peak   518
  3 ARG  QB      4 CYSS H       2.75            #peak   521
  4 CYSS H      23 GLY  QA      3.38            #peak  1067
  5 GLY  H       5 GLY  QA      2.49            #peak  1225
  5 GLY  QA      6 ASP  H       2.44            #peak  1221
  6 ASP  H       6 ASP  QB      2.75            #peak  1378
  6 ASP  H      38 GLN  QE2     3.84            #peak  1110
  6 ASP  QB      7 GLN  H       3.56            #peak   747
 10 GLY  H      10 GLY  QA      2.43            #peak   239
 12 LYS  HB3    40 GLN  QE2     3.47            #peak   159
 13 CYSS H      40 GLN  QE2     3.11            #peak  1794
 13 CYSS QB     14 PRO  QD      2.96            #peak  1464
 14 PRO  QB     15 ASN  H       2.94            #peak   435
 14 PRO  QG     17 LEU  QQD     3.62            #peak  1785
 14 PRO  QD     17 LEU  QB      3.47            #peak   152
 15 ASN  H      15 ASN  QD2     5.34            #peak   865
 15 ASN  HB3    15 ASN  QD2     3.46            #peak   764
 17 LEU  H      17 LEU  QQD     5.58            #peak   355
 17 LEU  QB     18 CYSS H       3.79            #peak   156
 20 GLY  H      20 GLY  QA      2.49            #peak   874
 20 GLY  QA     38 GLN  H       3.62            #peak   231
 21 LYS  H      21 LYS  QG      4.02            #peak   954
 22 TYR  H      22 TYR  QB      3.09            #peak   890
 23 GLY  H      23 GLY  QA      2.45            #peak  1062
 23 GLY  H      38 GLN  QE2     3.35            #peak   448
 23 GLY  QA     24 PHE  H       3.09            #peak  1066
 24 PHE  H      24 PHE  QB      2.98            #peak   618
 26 GLY  H      26 GLY  QA      2.56            #peak  1266
 26 GLY  QA     27 SER  H       2.44            #peak   186
 27 SER  H      27 SER  QB      3.06            #peak  1071
 27 SER  QB     28 GLY  H       2.81            #peak   413
 28 GLY  H      28 GLY  QA      2.49            #peak   249
 31 TYR  H      31 TYR  QB      2.96            #peak   936
 31 TYR  QB     32 CYSS H       3.04            #peak   933
 32 CYSS H      32 CYSS QB      2.61            #peak  1524
 32 CYSS QB     33 GLY  H       3.20            #peak  1525
 33 GLY  QA     34 ALA  H       2.45            #peak  1009
 36 SER  H      36 SER  QB      2.81            #peak    92
 43 GLY  QA     44 CYSS H       2.52            #peak   766
 44 CYSS H      44 CYSS QB      2.84            #peak   930

?   1 ALA   PSI      35.0   195.0
   2 GLN   PHI    -305.0   -45.0
   2 GLN   PHI    -185.0    75.0
   2 GLN   CHI1   -335.0   -25.0
   2 GLN   CHI1   -205.0    95.0
   2 GLN   CHI2   -345.0   -15.0
   2 GLN   PSI     115.0   145.0
   3 ARG   PHI    -315.0   -45.0
   3 ARG   PHI    -185.0    75.0
   3 ARG   CHI1   -335.0   -25.0
   3 ARG   CHI1   -205.0    95.0
   3 ARG   CHI2   -325.0   -35.0
   3 ARG   PSI     115.0   145.0
   4 CYSS  PSI     135.0   195.0
   5 GLY   PHI    -315.0   -45.0
   5 GLY   PSI    -245.0  -115.0
   6 ASP   PHI    -175.0   -45.0
   6 ASP   CHI1   -225.0   -85.0
   6 ASP   PSI     -85.0    15.0
   7 GLN   PHI    -315.0   -45.0
   7 GLN   PHI    -185.0    75.0
   7 GLN   CHI1   -335.0   -25.0
   7 GLN   CHI1   -205.0    95.0
   7 GLN   CHI2   -345.0   -15.0
   7 GLN   PSI     -85.0    85.0
   8 ALA   PHI      45.0   285.0
   8 ALA   PHI    -185.0    75.0
   8 ALA   PSI      -5.0    85.0
   9 ARG   PHI      45.0    75.0
   9 ARG   CHI1   -205.0   -25.0
   9 ARG   CHI2   -325.0   -35.0
   9 ARG   PSI      15.0   105.0
  10 GLY   PHI    -315.0   -45.0
  10 GLY   PSI    -105.0   105.0
  11 ALA   PHI    -315.0   -45.0
  11 ALA   PHI    -185.0    75.0
  11 ALA   PSI      95.0   165.0
  12 LYS   PHI    -165.0   -45.0
  12 LYS   CHI1   -325.0   -25.0
  12 LYS   CHI1   -155.0    95.0
  12 LYS   CHI2   -325.0   -35.0
  12 LYS   PSI     135.0   195.0
  13 CYSS  PHI    -165.0   -45.0
  13 CYSS  PSI     145.0   165.0
  14 PRO   PSI     135.0   195.0
  15 ASN   PHI     -85.0   -45.0
  15 ASN   CHI1   -325.0   -25.0
  15 ASN   CHI1    -75.0    45.0
  15 ASN   CHI2   -115.0   145.0
  15 ASN   PSI    -195.0  -165.0
  16 CYSS  PHI    -315.0   -45.0
  16 CYSS  PHI    -185.0    75.0
  16 CYSS  PSI       0.0    95.0
  17 LEU   PHI    -155.0   -45.0
  17 LEU   PSI     105.0   195.0
  18 CYSS  PHI    -315.0   -45.0
  18 CYSS  PHI    -185.0    75.0
  18 CYSS  CHI1   -315.0   -25.0
  18 CYSS  CHI1   -205.0    85.0
  18 CYSS  PSI     -85.0   195.0
  19 CYSS  PHI    -315.0   -45.0
  19 CYSS  PHI    -165.0    55.0
  19 CYSS  PSI      35.0   195.0
  20 GLY   PHI    -315.0   -45.0
  20 GLY   PSI    -235.0  -125.0
  21 LYS   PHI    -145.0   -45.0
  21 LYS   CHI1   -205.0  -115.0
  21 LYS   CHI2   -325.0   -35.0
  21 LYS   PSI     -85.0   195.0
  22 TYR   PSI     -85.0   195.0
  24 PHE   CHI1   -325.0   -25.0
  24 PHE   CHI1   -205.0    95.0
  24 PHE   CHI2   -335.0   -25.0
  24 PHE   CHI2   -155.0   155.0
  24 PHE   PSI      35.0   195.0
  25 CYSS  PHI    -185.0   -45.0
  25 CYSS  PSI     125.0   195.0
  26 GLY   PHI    -315.0   -45.0
  26 GLY   PSI    -225.0  -135.0
  27 SER   PHI    -315.0   -45.0
  27 SER   PHI    -185.0    65.0
  27 SER   CHI1   -175.0   115.0
  27 SER   PSI     135.0   195.0
  28 GLY   PHI    -315.0   -45.0
  28 GLY   PSI    -335.0   -25.0
  29 ASP   PHI    -315.0   -45.0
  29 ASP   PHI    -185.0    75.0
  29 ASP   CHI1   -225.0   115.0
  29 ASP   PSI     -85.0   205.0
  30 ALA   PHI    -315.0   -45.0
  30 ALA   PHI    -185.0    75.0
  30 ALA   PSI     -85.0    95.0
  31 TYR   PHI    -185.0   -55.0
  31 TYR   PSI     -75.0   -15.0
  32 CYSS  PHI    -185.0   -45.0
  32 CYSS  CHI1   -205.0   -25.0
  32 CYSS  PSI     -85.0    -5.0
  33 GLY   PHI    -315.0   -45.0
  33 GLY   PSI    -245.0  -115.0
  34 ALA   PHI    -315.0   -45.0
  34 ALA   PHI    -185.0    75.0
  34 ALA   PSI      35.0   195.0
  35 GLY   PSI     -40.0   -20.0
  36 SER   PSI     -85.0    75.0
  37 CYSS  PHI    -155.0   -45.0
  37 CYSS  CHI1   -205.0  -115.0
  37 CYSS  PSI      35.0   195.0
  38 GLN   PHI    -315.0   -45.0
  38 GLN   PHI    -185.0    65.0
  38 GLN   PSI     -85.0    75.0
  39 SER   PHI    -185.0    75.0
  39 SER   PSI      95.0   195.0
  40 GLN   PHI      45.0    75.0
  40 GLN   CHI1   -195.0   -55.0
  40 GLN   CHI2     15.0   335.0
  40 GLN   PSI      25.0    85.0
  41 CYSS  PHI    -315.0   -45.0
  41 CYSS  PHI    -175.0    55.0
  41 CYSS  PSI     -85.0   195.0
  42 ARG   PHI    -165.0   -75.0
  42 ARG   PSI      -5.0    25.0
  43 GLY   PHI    -315.0   -45.0
  43 GLY   PSI    -235.0  -125.0
  44 CYSS  PHI    -315.0   -45.0
  44 CYSS  PHI    -185.0    75.0
  44 CYSS  CHI1   -315.0   -25.0
  44 CYSS  CHI1   -205.0    85.0

  2 GLN  H      25 CYSS O       2.20  9.00E+00
  2 GLN  H      25 CYSS C       3.50  9.00E+00
  2 GLN  N      25 CYSS O       3.30  9.00E+00
  4 CYSS H      23 GLY  O       2.20  9.00E+00
  4 CYSS H      23 GLY  C       3.50  9.00E+00
  4 CYSS N      23 GLY  O       3.30  9.00E+00
  5 GLY  H      11 ALA  O       2.20  9.00E+00
  5 GLY  H      11 ALA  C       3.50  9.00E+00
  5 GLY  N      11 ALA  O       3.30  9.00E+00
  5 GLY  O       8 ALA  H       2.20  9.00E+00
  5 GLY  C       8 ALA  H       3.50  9.00E+00
  5 GLY  O       8 ALA  N       3.30  9.00E+00
  5 GLY  O      10 GLY  H       2.20  9.00E+00
  5 GLY  C      10 GLY  H       3.50  9.00E+00
  5 GLY  O      10 GLY  N       3.30  9.00E+00
  8 ALA  O      11 ALA  H       2.20  9.00E+00
  8 ALA  C      11 ALA  H       3.50  9.00E+00
  8 ALA  O      11 ALA  N       3.30  9.00E+00
 18 CYSS H      26 GLY  O       2.20  9.00E+00
 18 CYSS H      26 GLY  C       3.50  9.00E+00
 18 CYSS N      26 GLY  O       3.30  9.00E+00
 19 CYSS H      39 SER  O       2.20  9.00E+00
 19 CYSS H      39 SER  C       3.50  9.00E+00
 19 CYSS N      39 SER  O       3.30  9.00E+00
 20 GLY  H      24 PHE  O       2.20  9.00E+00
 20 GLY  H      24 PHE  C       3.50  9.00E+00
 20 GLY  N      24 PHE  O       3.30  9.00E+00
 21 LYS  H      36 SER  O       2.20  9.00E+00
 21 LYS  H      36 SER  C       3.50  9.00E+00
 21 LYS  N      36 SER  O       3.30  9.00E+00
 20 GLY  O      24 PHE  H       2.20  9.00E+00
 20 GLY  C      24 PHE  H       3.50  9.00E+00
 20 GLY  O      24 PHE  N       3.30  9.00E+00
  2 GLN  O      25 CYSS H       2.20  9.00E+00
  2 GLN  C      25 CYSS H       3.50  9.00E+00
  2 GLN  O      25 CYSS N       3.30  9.00E+00
 18 CYSS O      26 GLY  H       2.20  9.00E+00
 18 CYSS C      26 GLY  H       3.50  9.00E+00
 18 CYSS O      26 GLY  N       3.30  9.00E+00
 28 GLY  O      31 TYR  H       2.20  9.00E+00
 28 GLY  C      31 TYR  H       3.50  9.00E+00
 28 GLY  O      31 TYR  N       3.30  9.00E+00
 28 GLY  O      32 CYSS H       2.20  9.00E+00
 28 GLY  C      32 CYSS H       3.50  9.00E+00
 28 GLY  O      32 CYSS N       3.30  9.00E+00
 29 ASP  O      33 GLY  H       2.20  9.00E+00
 29 ASP  C      33 GLY  H       3.50  9.00E+00
 29 ASP  O      33 GLY  N       3.30  9.00E+00
 19 CYSS O      38 GLN  H       2.20  9.00E+00
 19 CYSS C      38 GLN  H       3.50  9.00E+00
 19 CYSS O      38 GLN  N       3.30  9.00E+00
 19 CYSS O      39 SER  H       2.20  9.00E+00
 19 CYSS C      39 SER  H       3.50  9.00E+00
 19 CYSS O      39 SER  N       3.30  9.00E+00
 40 GLN  O      42 ARG  H       2.20  9.00E+00
 40 GLN  C      42 ARG  H       3.50  9.00E+00
 40 GLN  O      42 ARG  N       3.30  9.00E+00
 16 CYSS O      44 CYSS H       2.20  9.00E+00
 16 CYSS C      44 CYSS H       3.50  9.00E+00
 16 CYSS O      44 CYSS N       3.30  9.00E+00

  2 GLN  H      25 CYSS O       1.70  9.00E+00
  2 GLN  H      25 CYSS C       2.60  9.00E+00
  2 GLN  N      25 CYSS O       2.60  9.00E+00
  4 CYSS H      23 GLY  O       1.70  9.00E+00
  4 CYSS H      23 GLY  C       2.60  9.00E+00
  4 CYSS N      23 GLY  O       2.60  9.00E+00
  5 GLY  H      11 ALA  O       1.70  9.00E+00
  5 GLY  H      11 ALA  C       2.60  9.00E+00
  5 GLY  N      11 ALA  O       2.60  9.00E+00
  5 GLY  O       8 ALA  H       1.70  9.00E+00
  5 GLY  C       8 ALA  H       2.60  9.00E+00
  5 GLY  O       8 ALA  N       2.60  9.00E+00
  5 GLY  O      10 GLY  H       1.70  9.00E+00
  5 GLY  C      10 GLY  H       2.60  9.00E+00
  5 GLY  O      10 GLY  N       2.60  9.00E+00
  8 ALA  O      11 ALA  H       1.70  9.00E+00
  8 ALA  C      11 ALA  H       2.60  9.00E+00
  8 ALA  O      11 ALA  N       2.60  9.00E+00
 18 CYSS H      26 GLY  O       1.70  9.00E+00
 18 CYSS H      26 GLY  C       2.60  9.00E+00
 18 CYSS N      26 GLY  O       2.60  9.00E+00
 19 CYSS H      39 SER  O       1.70  9.00E+00
 19 CYSS H      39 SER  C       2.60  9.00E+00
 19 CYSS N      39 SER  O       2.60  9.00E+00
 20 GLY  H      24 PHE  O       1.70  9.00E+00
 20 GLY  H      24 PHE  C       2.60  9.00E+00
 20 GLY  N      24 PHE  O       2.60  9.00E+00
 21 LYS  H      36 SER  O       1.70  9.00E+00
 21 LYS  H      36 SER  C       2.60  9.00E+00
 21 LYS  N      36 SER  O       2.60  9.00E+00
 20 GLY  O      24 PHE  H       1.70  9.00E+00
 20 GLY  C      24 PHE  H       2.60  9.00E+00
 20 GLY  O      24 PHE  N       2.60  9.00E+00
  2 GLN  O      25 CYSS H       1.70  9.00E+00
  2 GLN  C      25 CYSS H       2.60  9.00E+00
  2 GLN  O      25 CYSS N       2.60  9.00E+00
 18 CYSS O      26 GLY  H       1.70  9.00E+00
 18 CYSS C      26 GLY  H       2.60  9.00E+00
 18 CYSS O      26 GLY  N       2.60  9.00E+00
 28 GLY  O      31 TYR  H       1.70  9.00E+00
 28 GLY  C      31 TYR  H       2.60  9.00E+00
 28 GLY  O      31 TYR  N       2.60  9.00E+00
 28 GLY  O      32 CYSS H       1.70  9.00E+00
 28 GLY  C      32 CYSS H       2.60  9.00E+00
 28 GLY  O      32 CYSS N       2.60  9.00E+00
 29 ASP  O      33 GLY  H       1.70  9.00E+00
 29 ASP  C      33 GLY  H       2.60  9.00E+00
 29 ASP  O      33 GLY  N       2.60  9.00E+00
 19 CYSS O      38 GLN  H       1.70  9.00E+00
 19 CYSS C      38 GLN  H       2.60  9.00E+00
 19 CYSS O      38 GLN  N       2.60  9.00E+00
 19 CYSS O      39 SER  H       1.70  9.00E+00
 19 CYSS C      39 SER  H       2.60  9.00E+00
 19 CYSS O      39 SER  N       2.60  9.00E+00
 40 GLN  O      42 ARG  H       1.70  9.00E+00
 40 GLN  C      42 ARG  H       2.60  9.00E+00
 40 GLN  O      42 ARG  N       2.60  9.00E+00
 16 CYSS O      44 CYSS H       1.70  9.00E+00
 16 CYSS C      44 CYSS H       2.60  9.00E+00
 16 CYSS O      44 CYSS N       2.60  9.00E+00

  4 CYSS SG     19 CYSS SG      2.10
  4 CYSS SG     19 CYSS CB      3.10
  4 CYSS CB     19 CYSS SG      3.10
 13 CYSS SG     25 CYSS SG      2.10
 13 CYSS SG     25 CYSS CB      3.10
 13 CYSS CB     25 CYSS SG      3.10
 16 CYSS SG     44 CYSS SG      2.10
 16 CYSS SG     44 CYSS CB      3.10
 16 CYSS CB     44 CYSS SG      3.10
 18 CYSS SG     32 CYSS SG      2.10
 18 CYSS SG     32 CYSS CB      3.10
 18 CYSS CB     32 CYSS SG      3.10
 37 CYSS SG     41 CYSS SG      2.10
 37 CYSS SG     41 CYSS CB      3.10
 37 CYSS CB     41 CYSS SG      3.10
  4 CYSS SG     19 CYSS SG      2.00
  4 CYSS SG     19 CYSS CB      3.00
  4 CYSS CB     19 CYSS SG      3.00
 13 CYSS SG     25 CYSS SG      2.00
 13 CYSS SG     25 CYSS CB      3.00
 13 CYSS CB     25 CYSS SG      3.00
 16 CYSS SG     44 CYSS SG      2.00
 16 CYSS SG     44 CYSS CB      3.00
 16 CYSS CB     44 CYSS SG      3.00
 18 CYSS SG     32 CYSS SG      2.00
 18 CYSS SG     32 CYSS CB      3.00
 18 CYSS CB     32 CYSS SG      3.00
 37 CYSS SG     41 CYSS SG      2.00
 37 CYSS SG     41 CYSS CB      3.00
 37 CYSS CB     41 CYSS SG      3.00
?   2 GLN   PHI    -140.0   -90.0
   2 GLN   CHI1     40.0    80.0   
   3 ARG   PHI    -150.0   -98.0
   3 ARG   CHI1    -80.0   -40.0
   4 CYSS  PHI    -140.0  -100.0
   4 CYSS  CHI1     40.0    80.0
   5 GLY   PHI      40.0    80.0
   6 ASP   PHI     -80.0   -40.0
   7 GLN   PHI    -120.0   -80.0
   7 GLN   CHI1    -80.0   -40.0
   8 ALA   PHI    -140.0  -100.0
   9 ARG   PHI      40.0    80.0
   9 ARG   CHI1   -200.0  -160.0
  10 GLY   PHI      40.0    80.0
  11 ALA   PHI     -80.0   -40.0
  12 LYS   PHI    -100.0   -70.0
  12 LYS   CHI1    -80.0   -40.0
  13 CYSS  PHI    -160.0  -106.0
  13 CYSS  CHI1    -80.0   -40.0
  15 ASN   PHI     -80.0   -40.0
  15 ASN   CHI1    -80.0   -40.0
  16 CYSS  PHI      40.0    80.0
  16 CYSS  CHI1   -200.0  -160.0
  17 LEU   PHI    -150.0   -80.0
  17 LEU   CHI1   -200.0  -160.0
  18 CYSS  PHI    -140.0  -100.0
  18 CYSS  CHI1    -80.0   -40.0
  19 CYSS  PHI    -140.0  -100.0
  19 CYSS  CHI1   -200.0  -160.0
  21 LYS   PHI     -80.0   -40.0
  21 LYS   CHI1   -200.0  -160.0
  22 TYR   PHI    -120.0   -80.0
  22 TYR   CHI1    -80.0   -40.0
  23 GLY   PHI      40.0    80.0
  24 PHE   PHI    -140.0  -100.0
  24 PHE   CHI1   -200.0  -160.0
  25 CYSS  PHI    -150.0   -90.0
  25 CYSS  CHI1    -80.0   -40.0
  26 GLY   PHI    -147.2   -45.0
  27 SER   PHI    -140.0  -100.0
  27 SER   CHI1   -200.0  -160.0
  28 GLY   PHI      40.0    80.0
  29 ASP   PHI     -80.0   -40.0
  30 ALA   PHI     -90.0   -30.0
  31 TYR   PHI    -140.0  -100.0
  31 TYR   CHI1    -80.0   -40.0
  32 CYSS  PHI    -150.0   -90.0
  32 CYSS  CHI1    -80.0   -40.0
  33 GLY   PHI    -100.0   -60.0
  34 ALA   PHI    -120.0   -80.0
  35 GLY   PHI     150.0   170.0
  36 SER   PHI    -140.0  -100.0
  36 SER   CHI1   -200.0  -160.0
  37 CYSS  PHI    -150.0   -90.0
  37 CYSS  CHI1   -200.0  -160.0
  38 GLN   PHI    -140.0  -100.0
  38 GLN   CHI1   -200.0  -160.0
  39 SER   CHI1   -200.0  -160.0
  40 GLN   PHI      40.0    80.0
  40 GLN   CHI1    -80.0   -40.0
  41 CYSS  CHI1    -80.0   -40.0
  42 ARG   CHI1   -200.0  -160.0
  43 GLY   PHI    -204.0   -64.0
  44 CYSS  PHI    -160.0   -80.0
  44 CYSS  CHI1    -80.0   -40.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H        ALA   1  -5.371   6.906   6.665
    2    HA   ALA   1           HA       ALA   1  -3.897   4.494   6.347
    3    HB1  ALA   1           1HB      ALA   1  -6.237   4.466   8.239
    4    HB2  ALA   1           2HB      ALA   1  -5.607   3.015   7.456
    5    HB3  ALA   1           3HB      ALA   1  -4.581   3.945   8.550
    6    H    GLN   2           H        GLN   2  -4.407   3.759   4.396
    7    HA   GLN   2           HA       GLN   2  -7.170   4.003   3.448
    8    HB2  GLN   2           1HB      GLN   2  -6.201   4.603   1.164
    9    HB3  GLN   2           2HB      GLN   2  -6.195   5.872   2.400
   10    HG2  GLN   2           1HG      GLN   2  -3.756   4.282   2.424
   11    HG3  GLN   2           2HG      GLN   2  -4.051   5.074   0.870
   12   HE21  GLN   2          1HE2      GLN   2  -3.451   5.557   4.260
   13   HE22  GLN   2          2HE2      GLN   2  -3.057   7.236   4.158
   14    H    ARG   3           H        ARG   3  -7.822   2.433   1.966
   15    HA   ARG   3           HA       ARG   3  -6.112   0.059   1.924
   16    HB2  ARG   3           1HB      ARG   3  -9.041   0.366   1.218
   17    HB3  ARG   3           2HB      ARG   3  -8.148  -1.160   1.309
   18    HG2  ARG   3           1HG      ARG   3  -7.659  -0.162   3.780
   19    HG3  ARG   3           2HG      ARG   3  -9.273   0.495   3.455
   20    HD2  ARG   3           1HD      ARG   3  -9.859  -1.525   4.369
   21    HD3  ARG   3           2HD      ARG   3  -9.757  -1.969   2.660
   22    HE   ARG   3           HE       ARG   3  -7.261  -2.470   3.533
   23   HH11  ARG   3          1HH1      ARG   3 -10.401  -3.359   4.743
   24   HH12  ARG   3          2HH1      ARG   3  -9.857  -4.849   5.439
   25   HH21  ARG   3          1HH2      ARG   3  -6.531  -4.429   4.444
   26   HH22  ARG   3          2HH2      ARG   3  -7.653  -5.456   5.269
   27    H    CYS   4           H        CYS   4  -5.536  -1.001   0.048
   28    HA   CYS   4           HA       CYS   4  -6.314   0.190  -2.509
   29    HB2  CYS   4           1HB      CYS   4  -3.880   0.001  -3.232
   30    HB3  CYS   4           2HB      CYS   4  -4.289   1.345  -2.152
   31    H    GLY   5           H        GLY   5  -4.876  -1.218  -4.261
   32    HA2  GLY   5           2HA      GLY   5  -4.703  -3.257  -5.302
   33    HA3  GLY   5           3HA      GLY   5  -4.477  -3.948  -3.702
   34    H    ASP   6           H        ASP   6  -5.697  -5.780  -4.164
   35    HA   ASP   6           HA       ASP   6  -8.246  -5.813  -5.305
   36    HB2  ASP   6           1HB      ASP   6  -6.613  -7.763  -4.737
   37    HB3  ASP   6           2HB      ASP   6  -7.445  -7.773  -3.176
   38    HD2  ASP   6           HD       ASP   6 -10.454  -8.398  -5.312
   39    H    GLN   7           H        GLN   7  -7.214  -4.824  -2.186
   40    HA   GLN   7           HA       GLN   7  -9.772  -5.173  -0.905
   41    HB2  GLN   7           1HB      GLN   7  -7.234  -3.757  -0.076
   42    HB3  GLN   7           2HB      GLN   7  -8.687  -3.822   0.933
   43    HG2  GLN   7           1HG      GLN   7  -7.091  -6.199  -0.022
   44    HG3  GLN   7           2HG      GLN   7  -7.062  -5.502   1.603
   45   HE21  GLN   7          1HE2      GLN   7  -8.764  -7.506  -0.610
   46   HE22  GLN   7          2HE2      GLN   7  -9.993  -8.042   0.479
   47    H    ALA   8           H        ALA   8  -8.752  -3.111  -3.219
   48    HA   ALA   8           HA       ALA   8 -10.746  -1.107  -2.450
   49    HB1  ALA   8           1HB      ALA   8  -8.541  -0.225  -1.792
   50    HB2  ALA   8           2HB      ALA   8  -8.002  -0.381  -3.464
   51    HB3  ALA   8           3HB      ALA   8  -9.305   0.736  -3.059
   52    H    ARG   9           H        ARG   9 -10.868  -3.280  -4.321
   53    HA   ARG   9           HA       ARG   9 -11.538  -3.734  -6.447
   54    HB2  ARG   9           1HB      ARG   9 -13.061  -1.770  -5.781
   55    HB3  ARG   9           2HB      ARG   9 -12.016  -0.786  -6.816
   56    HG2  ARG   9           1HG      ARG   9 -12.508  -2.554  -8.636
   57    HG3  ARG   9           2HG      ARG   9 -13.859  -3.011  -7.586
   58    HD2  ARG   9           1HD      ARG   9 -14.064  -0.261  -7.671
   59    HD3  ARG   9           2HD      ARG   9 -13.534  -0.679  -9.307
   60    HE   ARG   9           HE       ARG   9 -15.649  -2.377  -8.515
   61   HH11  ARG   9          1HH1      ARG   9 -15.000   0.900  -9.495
   62   HH12  ARG   9          2HH1      ARG   9 -16.581   1.153 -10.158
   63   HH21  ARG   9          1HH2      ARG   9 -17.734  -2.056  -9.384
   64   HH22  ARG   9          2HH2      ARG   9 -18.135  -0.528 -10.094
   65    H    GLY  10           H        GLY  10  -8.735  -3.051  -5.936
   66    HA2  GLY  10           2HA      GLY  10  -6.864  -3.072  -7.307
   67    HA3  GLY  10           3HA      GLY  10  -7.913  -2.793  -8.690
   68    H    ALA  11           H        ALA  11  -8.085  -0.710  -5.917
   69    HA   ALA  11           HA       ALA  11  -7.407   1.570  -7.530
   70    HB1  ALA  11           1HB      ALA  11  -9.181   1.613  -5.795
   71    HB2  ALA  11           2HB      ALA  11  -7.926   1.469  -4.563
   72    HB3  ALA  11           3HB      ALA  11  -7.978   2.890  -5.607
   73    H    LYS  12           H        LYS  12  -5.599   2.829  -7.449
   74    HA   LYS  12           HA       LYS  12  -3.297   1.678  -6.047
   75    HB2  LYS  12           1HB      LYS  12  -3.549   3.567  -8.388
   76    HB3  LYS  12           2HB      LYS  12  -2.008   3.279  -7.566
   77    HG2  LYS  12           1HG      LYS  12  -2.061   0.942  -8.141
   78    HG3  LYS  12           2HG      LYS  12  -3.682   1.124  -8.836
   79    HD2  LYS  12           1HD      LYS  12  -2.879   2.467 -10.625
   80    HD3  LYS  12           2HD      LYS  12  -1.299   2.663  -9.846
   81    HE2  LYS  12           1HE      LYS  12  -0.748   1.032 -11.349
   82    HE3  LYS  12           2HE      LYS  12  -1.297   0.018 -10.007
   83    HZ1  LYS  12           3HZ      LYS  12  -2.492   0.434 -12.603
   84    HZ2  LYS  12           1HZ      LYS  12  -3.592   0.468 -11.320
   85    HZ3  LYS  12           2HZ      LYS  12  -2.611  -0.888 -11.555
   86    H    CYS  13           H        CYS  13  -1.749   3.126  -5.026
   87    HA   CYS  13           HA       CYS  13  -3.108   5.393  -3.738
   88    HB2  CYS  13           1HB      CYS  13  -0.932   3.521  -2.867
   89    HB3  CYS  13           2HB      CYS  13  -1.104   5.105  -2.092
   90    HA   PRO  14           HA       PRO  14  -0.385   8.355  -5.484
   91    HB2  PRO  14           1HB      PRO  14  -0.032  10.106  -3.407
   92    HB3  PRO  14           2HB      PRO  14  -1.539   9.957  -4.309
   93    HG2  PRO  14           1HG      PRO  14  -0.763   8.724  -1.688
   94    HG3  PRO  14           2HG      PRO  14  -2.299   9.546  -2.151
   95    HD2  PRO  14           1HD      PRO  14  -2.057   6.845  -2.041
   96    HD3  PRO  14           2HD      PRO  14  -3.097   7.665  -3.218
   97    H    ASN  15           H        ASN  15   1.679   9.729  -4.761
   98    HA   ASN  15           HA       ASN  15   3.727   7.773  -4.245
   99    HB2  ASN  15           1HB      ASN  15   3.883  10.759  -4.742
  100    HB3  ASN  15           2HB      ASN  15   5.282   9.685  -4.618
  101   HD21  ASN  15          1HD2      ASN  15   5.255   7.792  -6.127
  102   HD22  ASN  15          2HD2      ASN  15   4.706   8.082  -7.739
  103    H    CYS  16           H        CYS  16   5.592   8.474  -2.751
  104    HA   CYS  16           HA       CYS  16   6.371   8.866  -0.649
  105    HB2  CYS  16           1HB      CYS  16   5.331  11.144  -1.182
  106    HB3  CYS  16           2HB      CYS  16   3.980  10.632  -0.157
  107    H    LEU  17           H        LEU  17   3.947   7.014  -1.347
  108    HA   LEU  17           HA       LEU  17   3.450   6.251   1.447
  109    HB2  LEU  17           1HB      LEU  17   1.511   7.479   0.269
  110    HB3  LEU  17           2HB      LEU  17   1.335   5.982  -0.662
  111    HG   LEU  17           HG       LEU  17   1.032   4.775   1.526
  112   HD11  LEU  17          1HD1      LEU  17   0.663   5.931   3.515
  113   HD12  LEU  17          2HD1      LEU  17   0.485   7.481   2.694
  114   HD13  LEU  17          3HD1      LEU  17   2.074   6.728   2.819
  115   HD21  LEU  17          3HD2      LEU  17  -0.986   6.929   0.907
  116   HD22  LEU  17          1HD2      LEU  17  -1.291   5.406   1.741
  117   HD23  LEU  17          2HD2      LEU  17  -0.833   5.402   0.037
  118    H    CYS  18           H        CYS  18   2.800   3.987   1.704
  119    HA   CYS  18           HA       CYS  18   3.843   2.289  -0.468
  120    HB2  CYS  18           1HB      CYS  18   4.053   1.817   2.512
  121    HB3  CYS  18           2HB      CYS  18   4.673   0.742   1.248
  122    H    CYS  19           H        CYS  19   2.631   0.589  -1.096
  123    HA   CYS  19           HA       CYS  19   0.033   0.253   0.227
  124    HB2  CYS  19           1HB      CYS  19   0.049   0.842  -2.176
  125    HB3  CYS  19           2HB      CYS  19   0.907  -0.672  -2.518
  126    H    GLY  20           H        GLY  20   0.048  -1.318   1.705
  127    HA2  GLY  20           2HA      GLY  20   1.884  -3.471   1.740
  128    HA3  GLY  20           3HA      GLY  20   0.436  -3.339   2.727
  129    H    LYS  21           H        LYS  21   1.774  -5.532   1.036
  130    HA   LYS  21           HA       LYS  21   0.338  -6.279  -1.157
  131    HB2  LYS  21           1HB      LYS  21   2.236  -7.558  -0.302
  132    HB3  LYS  21           2HB      LYS  21   1.270  -8.078   1.088
  133    HG2  LYS  21           1HG      LYS  21  -0.119  -9.443  -0.237
  134    HG3  LYS  21           2HG      LYS  21   0.467  -8.701  -1.736
  135    HD2  LYS  21           1HD      LYS  21   2.754  -9.614  -1.181
  136    HD3  LYS  21           2HD      LYS  21   1.976 -10.531   0.122
  137    HE2  LYS  21           1HE      LYS  21   0.544 -11.672  -1.486
  138    HE3  LYS  21           2HE      LYS  21   1.236 -10.708  -2.798
  139    HZ1  LYS  21           3HZ      LYS  21   2.196 -12.957  -2.614
  140    HZ2  LYS  21           1HZ      LYS  21   2.806 -12.557  -1.088
  141    HZ3  LYS  21           2HZ      LYS  21   3.355 -11.734  -2.459
  142    H    TYR  22           H        TYR  22  -0.710  -6.310   2.170
  143    HA   TYR  22           HA       TYR  22  -3.095  -7.843   1.614
  144    HB2  TYR  22           1HB      TYR  22  -1.990  -6.462   4.052
  145    HB3  TYR  22           2HB      TYR  22  -3.644  -7.079   4.030
  146    HD1  TYR  22           1HD      TYR  22  -3.582  -9.604   2.747
  147    HD2  TYR  22           2HD      TYR  22  -0.631  -7.879   5.280
  148    HE1  TYR  22           1HE      TYR  22  -2.782 -11.853   3.336
  149    HE2  TYR  22           2HE      TYR  22   0.179 -10.124   5.876
  150    HH   TYR  22           HH       TYR  22   0.156 -12.396   4.944
  151    H    GLY  23           H        GLY  23  -2.841  -5.525   0.007
  152    HA2  GLY  23           2HA      GLY  23  -3.977  -3.629  -0.643
  153    HA3  GLY  23           3HA      GLY  23  -5.371  -4.479   0.007
  154    H    PHE  24           H        PHE  24  -2.551  -3.154   1.703
  155    HA   PHE  24           HA       PHE  24  -4.338  -1.238   3.038
  156    HB2  PHE  24           1HB      PHE  24  -3.873  -3.263   4.461
  157    HB3  PHE  24           2HB      PHE  24  -2.168  -2.802   4.446
  158    HD1  PHE  24           1HD      PHE  24  -5.501  -1.880   5.662
  159    HD2  PHE  24           2HD      PHE  24  -1.348  -0.950   5.726
  160    HE1  PHE  24           1HE      PHE  24  -5.868  -0.390   7.586
  161    HE2  PHE  24           2HE      PHE  24  -1.707   0.540   7.651
  162    HZ   PHE  24           HZ       PHE  24  -3.970   0.822   8.582
  163    H    CYS  25           H        CYS  25  -3.645   0.658   2.260
  164    HA   CYS  25           HA       CYS  25  -0.816   1.135   1.807
  165    HB2  CYS  25           1HB      CYS  25  -3.347   2.633   1.220
  166    HB3  CYS  25           2HB      CYS  25  -1.784   3.463   1.135
  167    H    GLY  26           H        GLY  26   0.496   2.022   3.256
  168    HA2  GLY  26           2HA      GLY  26  -0.559   3.963   5.169
  169    HA3  GLY  26           3HA      GLY  26   0.178   2.511   5.830
  170    H    SER  27           H        SER  27   1.703   3.931   6.867
  171    HA   SER  27           HA       SER  27   3.900   4.661   5.059
  172    HB2  SER  27           1HB      SER  27   2.545   6.682   5.798
  173    HB3  SER  27           2HB      SER  27   3.116   6.346   7.441
  174    HG   SER  27           HG       SER  27   4.871   7.353   6.920
  175    H    GLY  28           H        GLY  28   5.814   5.427   6.740
  176    HA2  GLY  28           2HA      GLY  28   7.306   4.758   8.368
  177    HA3  GLY  28           3HA      GLY  28   6.011   3.820   9.099
  178    H    ASP  29           H        ASP  29   8.692   2.961   8.904
  179    HA   ASP  29           HA       ASP  29   9.163   1.256   6.712
  180    HB2  ASP  29           1HB      ASP  29  10.364   1.770   9.337
  181    HB3  ASP  29           2HB      ASP  29  10.521   0.088   8.812
  182    HD2  ASP  29           HD       ASP  29  13.247   1.112   7.009
  183    H    ALA  30           H        ALA  30   7.040   0.984   9.360
  184    HA   ALA  30           HA       ALA  30   6.947  -1.791   9.746
  185    HB1  ALA  30           1HB      ALA  30   5.564  -1.094  11.332
  186    HB2  ALA  30           2HB      ALA  30   5.437   0.494  10.574
  187    HB3  ALA  30           3HB      ALA  30   4.338  -0.801  10.098
  188    H    TYR  31           H        TYR  31   5.529   0.263   7.295
  189    HA   TYR  31           HA       TYR  31   4.351  -2.128   6.037
  190    HB2  TYR  31           1HB      TYR  31   3.423   0.752   5.863
  191    HB3  TYR  31           2HB      TYR  31   2.724  -0.594   4.960
  192    HD1  TYR  31           2HD      TYR  31   2.435  -2.735   6.836
  193    HD2  TYR  31           1HD      TYR  31   1.900   1.438   7.473
  194    HE1  TYR  31           2HE      TYR  31   0.899  -3.221   8.695
  195    HE2  TYR  31           1HE      TYR  31   0.363   0.963   9.333
  196    HH   TYR  31           HH       TYR  31  -0.511  -2.368  10.190
  197    H    CYS  32           H        CYS  32   6.568   0.444   5.757
  198    HA   CYS  32           HA       CYS  32   6.712   0.311   2.854
  199    HB2  CYS  32           1HB      CYS  32   8.021   1.987   4.969
  200    HB3  CYS  32           2HB      CYS  32   8.694   1.938   3.331
  201    H    GLY  33           H        GLY  33   8.294  -0.995   5.638
  202    HA2  GLY  33           2HA      GLY  33  10.815  -1.605   4.592
  203    HA3  GLY  33           3HA      GLY  33  10.004  -2.507   5.864
  204    H    ALA  34           H        ALA  34  11.651  -3.762   4.032
  205    HA   ALA  34           HA       ALA  34  10.078  -4.902   1.907
  206    HB1  ALA  34           1HB      ALA  34  12.540  -6.301   2.651
  207    HB2  ALA  34           2HB      ALA  34  12.029  -5.646   1.094
  208    HB3  ALA  34           3HB      ALA  34  12.754  -4.585   2.302
  209    H    GLY  35           H        GLY  35   8.527  -6.333   2.326
  210    HA2  GLY  35           2HA      GLY  35   8.774  -8.865   3.185
  211    HA3  GLY  35           3HA      GLY  35   8.639  -7.993   4.704
  212    H    SER  36           H        SER  36   6.858  -5.985   3.311
  213    HA   SER  36           HA       SER  36   4.456  -7.610   2.909
  214    HB2  SER  36           1HB      SER  36   4.681  -6.851   5.345
  215    HB3  SER  36           2HB      SER  36   4.412  -5.208   4.735
  216    HG   SER  36           HG       SER  36   2.469  -6.274   5.414
  217    H    CYS  37           H        CYS  37   6.398  -5.580   1.518
  218    HA   CYS  37           HA       CYS  37   4.488  -3.579   0.619
  219    HB2  CYS  37           1HB      CYS  37   6.935  -3.111   1.130
  220    HB3  CYS  37           2HB      CYS  37   7.308  -3.960  -0.379
  221    H    GLN  38           H        GLN  38   3.488  -3.559  -1.318
  222    HA   GLN  38           HA       GLN  38   4.210  -5.646  -3.263
  223    HB2  GLN  38           1HB      GLN  38   2.257  -6.494  -2.222
  224    HB3  GLN  38           2HB      GLN  38   1.472  -4.907  -2.247
  225    HG2  GLN  38           1HG      GLN  38   1.336  -5.004  -4.694
  226    HG3  GLN  38           2HG      GLN  38   2.091  -6.604  -4.655
  227   HE21  GLN  38          1HE2      GLN  38  -0.673  -4.822  -3.345
  228   HE22  GLN  38          2HE2      GLN  38  -1.772  -6.155  -3.382
  229    H    SER  39           H        SER  39   2.322  -2.661  -2.809
  230    HA   SER  39           HA       SER  39   3.182  -1.828  -5.502
  231    HB2  SER  39           1HB      SER  39   0.900  -2.204  -5.825
  232    HB3  SER  39           2HB      SER  39   0.483  -1.640  -4.196
  233    HG   SER  39           HG       SER  39  -0.039  -0.129  -5.890
  234    H    GLN  40           H        GLN  40   3.360   0.484  -5.820
  235    HA   GLN  40           HA       GLN  40   4.267   2.494  -5.249
  236    HB2  GLN  40           1HB      GLN  40   2.401   2.139  -2.892
  237    HB3  GLN  40           2HB      GLN  40   3.181   3.661  -3.353
  238    HG2  GLN  40           1HG      GLN  40   1.190   2.106  -5.005
  239    HG3  GLN  40           2HG      GLN  40   0.885   3.606  -4.118
  240   HE21  GLN  40          1HE2      GLN  40   0.398   3.340  -6.835
  241   HE22  GLN  40          2HE2      GLN  40   1.485   4.365  -7.702
  242    H    CYS  41           H        CYS  41   5.957   0.465  -4.646
  243    HA   CYS  41           HA       CYS  41   6.859   0.652  -1.912
  244    HB2  CYS  41           1HB      CYS  41   7.898  -0.750  -4.368
  245    HB3  CYS  41           2HB      CYS  41   8.790  -0.754  -2.836
  246    H    ARG  42           H        ARG  42   6.987   3.113  -2.308
  247    HA   ARG  42           HA       ARG  42   9.752   3.807  -2.418
  248    HB2  ARG  42           1HB      ARG  42   8.971   3.667  -4.870
  249    HB3  ARG  42           2HB      ARG  42   8.064   5.146  -4.516
  250    HG2  ARG  42           1HG      ARG  42  10.014   5.989  -5.408
  251    HG3  ARG  42           2HG      ARG  42  10.346   6.043  -3.668
  252    HD2  ARG  42           1HD      ARG  42  11.676   4.066  -3.760
  253    HD3  ARG  42           2HD      ARG  42  11.146   3.725  -5.413
  254    HE   ARG  42           HE       ARG  42  13.222   5.544  -4.600
  255   HH11  ARG  42          1HH1      ARG  42  10.955   4.705  -7.106
  256   HH12  ARG  42          2HH1      ARG  42  11.865   5.469  -8.366
  257   HH21  ARG  42          1HH2      ARG  42  14.430   6.553  -6.251
  258   HH22  ARG  42          2HH2      ARG  42  13.842   6.519  -7.880
  259    H    GLY  43           H        GLY  43   7.308   4.028  -0.726
  260    HA2  GLY  43           2HA      GLY  43   6.516   6.761  -0.632
  261    HA3  GLY  43           3HA      GLY  43   6.251   5.561   0.625
  262    H    CYS  44           H        CYS  44   6.716   7.854   1.674
  263    HA   CYS  44           HA       CYS  44   9.587   8.233   2.074
  264    HB2  CYS  44           1HB      CYS  44   7.347   9.871   3.255
  265    HB3  CYS  44           2HB      CYS  44   9.046  10.338   3.061
  Start of MODEL    2
    1    H1   ALA   1           H        ALA   1  -4.279   6.849   6.326
    2    HA   ALA   1           HA       ALA   1  -3.823   4.369   6.452
    3    HB1  ALA   1           1HB      ALA   1  -6.004   3.318   7.586
    4    HB2  ALA   1           2HB      ALA   1  -4.522   3.650   8.482
    5    HB3  ALA   1           3HB      ALA   1  -5.865   4.791   8.547
    6    H    GLN   2           H        GLN   2  -4.315   3.765   4.457
    7    HA   GLN   2           HA       GLN   2  -7.079   4.058   3.520
    8    HB2  GLN   2           1HB      GLN   2  -6.106   4.672   1.242
    9    HB3  GLN   2           2HB      GLN   2  -6.080   5.926   2.493
   10    HG2  GLN   2           1HG      GLN   2  -3.661   4.327   2.526
   11    HG3  GLN   2           2HG      GLN   2  -3.945   5.082   0.953
   12   HE21  GLN   2          1HE2      GLN   2  -3.031   5.568   4.208
   13   HE22  GLN   2          2HE2      GLN   2  -2.747   7.270   4.115
   14    H    ARG   3           H        ARG   3  -7.756   2.516   2.020
   15    HA   ARG   3           HA       ARG   3  -6.079   0.120   1.943
   16    HB2  ARG   3           1HB      ARG   3  -9.006   0.475   1.249
   17    HB3  ARG   3           2HB      ARG   3  -8.134  -1.063   1.319
   18    HG2  ARG   3           1HG      ARG   3  -7.650   0.015   3.805
   19    HG3  ARG   3           2HG      ARG   3  -9.318   0.506   3.461
   20    HD2  ARG   3           1HD      ARG   3  -8.209  -2.308   3.402
   21    HD3  ARG   3           2HD      ARG   3  -9.329  -1.627   4.590
   22    HE   ARG   3           HE       ARG   3 -10.330  -1.489   1.908
   23   HH11  ARG   3          1HH1      ARG   3  -9.985  -3.524   4.712
   24   HH12  ARG   3          2HH1      ARG   3 -11.346  -4.521   4.316
   25   HH21  ARG   3          1HH2      ARG   3 -12.122  -2.796   1.376
   26   HH22  ARG   3          2HH2      ARG   3 -12.560  -4.107   2.419
   27    H    CYS   4           H        CYS   4  -5.525  -0.926   0.051
   28    HA   CYS   4           HA       CYS   4  -6.293   0.311  -2.487
   29    HB2  CYS   4           1HB      CYS   4  -3.864   0.096  -3.222
   30    HB3  CYS   4           2HB      CYS   4  -4.249   1.431  -2.121
   31    H    GLY   5           H        GLY   5  -4.881  -1.095  -4.262
   32    HA2  GLY   5           2HA      GLY   5  -4.744  -3.122  -5.331
   33    HA3  GLY   5           3HA      GLY   5  -4.518  -3.836  -3.742
   34    H    ASP   6           H        ASP   6  -5.764  -5.647  -4.230
   35    HA   ASP   6           HA       ASP   6  -8.323  -5.627  -5.350
   36    HB2  ASP   6           1HB      ASP   6  -6.796  -7.627  -4.950
   37    HB3  ASP   6           2HB      ASP   6  -7.385  -7.614  -3.282
   38    HD2  ASP   6           HD       ASP   6 -10.521  -8.131  -5.528
   39    H    GLN   7           H        GLN   7  -7.252  -4.708  -2.223
   40    HA   GLN   7           HA       GLN   7  -9.802  -5.048  -0.926
   41    HB2  GLN   7           1HB      GLN   7  -7.259  -3.641  -0.086
   42    HB3  GLN   7           2HB      GLN   7  -8.699  -3.774   0.937
   43    HG2  GLN   7           1HG      GLN   7  -7.571  -6.282  -0.191
   44    HG3  GLN   7           2HG      GLN   7  -6.685  -5.478   1.112
   45   HE21  GLN   7          1HE2      GLN   7  -7.096  -6.456   2.954
   46   HE22  GLN   7          2HE2      GLN   7  -8.645  -6.982   3.506
   47    H    ALA   8           H        ALA   8  -8.774  -2.955  -3.211
   48    HA   ALA   8           HA       ALA   8 -10.742  -0.945  -2.393
   49    HB1  ALA   8           1HB      ALA   8  -9.299   0.896  -2.932
   50    HB2  ALA   8           2HB      ALA   8  -8.487  -0.129  -1.748
   51    HB3  ALA   8           3HB      ALA   8  -8.017  -0.201  -3.447
   52    H    ARG   9           H        ARG   9 -10.904  -3.080  -4.302
   53    HA   ARG   9           HA       ARG   9 -11.586  -3.489  -6.432
   54    HB2  ARG   9           1HB      ARG   9 -13.094  -1.532  -5.719
   55    HB3  ARG   9           2HB      ARG   9 -12.046  -0.532  -6.737
   56    HG2  ARG   9           1HG      ARG   9 -13.122  -1.149  -8.573
   57    HG3  ARG   9           2HG      ARG   9 -12.867  -2.860  -8.190
   58    HD2  ARG   9           1HD      ARG   9 -14.814  -2.479  -6.475
   59    HD3  ARG   9           2HD      ARG   9 -15.178  -1.093  -7.512
   60    HE   ARG   9           HE       ARG   9 -15.592  -3.865  -8.132
   61   HH11  ARG   9          1HH1      ARG   9 -15.067  -0.691  -9.461
   62   HH12  ARG   9          2HH1      ARG   9 -15.817  -1.060 -10.979
   63   HH21  ARG   9          1HH2      ARG   9 -16.582  -4.363 -10.125
   64   HH22  ARG   9          2HH2      ARG   9 -16.679  -3.149 -11.354
   65    H    GLY  10           H        GLY  10  -8.775  -2.832  -5.927
   66    HA2  GLY  10           2HA      GLY  10  -6.914  -2.842  -7.311
   67    HA3  GLY  10           3HA      GLY  10  -7.970  -2.531  -8.681
   68    H    ALA  11           H        ALA  11  -8.090  -0.503  -5.860
   69    HA   ALA  11           HA       ALA  11  -7.423   1.806  -7.437
   70    HB1  ALA  11           1HB      ALA  11  -7.955   3.090  -5.478
   71    HB2  ALA  11           2HB      ALA  11  -9.170   1.825  -5.674
   72    HB3  ALA  11           3HB      ALA  11  -7.898   1.647  -4.465
   73    H    LYS  12           H        LYS  12  -5.598   3.035  -7.378
   74    HA   LYS  12           HA       LYS  12  -3.285   1.844  -6.029
   75    HB2  LYS  12           1HB      LYS  12  -3.554   3.799  -8.315
   76    HB3  LYS  12           2HB      LYS  12  -2.003   3.452  -7.533
   77    HG2  LYS  12           1HG      LYS  12  -2.360   1.028  -8.083
   78    HG3  LYS  12           2HG      LYS  12  -3.750   1.538  -9.058
   79    HD2  LYS  12           1HD      LYS  12  -2.243   3.022 -10.367
   80    HD3  LYS  12           2HD      LYS  12  -0.874   2.367  -9.448
   81    HE2  LYS  12           1HE      LYS  12  -2.769   0.580 -10.970
   82    HE3  LYS  12           2HE      LYS  12  -1.364   1.334 -11.736
   83    HZ1  LYS  12           3HZ      LYS  12  -0.182   0.289  -9.629
   84    HZ2  LYS  12           1HZ      LYS  12  -0.412  -0.586 -11.058
   85    HZ3  LYS  12           2HZ      LYS  12  -1.468  -0.804  -9.755
   86    H    CYS  13           H        CYS  13  -1.721   3.244  -4.984
   87    HA   CYS  13           HA       CYS  13  -3.037   5.505  -3.641
   88    HB2  CYS  13           1HB      CYS  13  -0.883   3.584  -2.825
   89    HB3  CYS  13           2HB      CYS  13  -1.027   5.153  -2.015
   90    HA   PRO  14           HA       PRO  14  -0.281   8.462  -5.346
   91    HB2  PRO  14           1HB      PRO  14   0.112  10.162  -3.237
   92    HB3  PRO  14           2HB      PRO  14  -1.404  10.057  -4.132
   93    HG2  PRO  14           1HG      PRO  14  -0.631   8.760  -1.540
   94    HG3  PRO  14           2HG      PRO  14  -2.158   9.613  -1.977
   95    HD2  PRO  14           1HD      PRO  14  -1.955   6.906  -1.923
   96    HD3  PRO  14           2HD      PRO  14  -2.989   7.766  -3.077
   97    H    ASN  15           H        ASN  15   1.807   9.790  -4.610
   98    HA   ASN  15           HA       ASN  15   3.827   7.794  -4.143
   99    HB2  ASN  15           1HB      ASN  15   4.029  10.784  -4.588
  100    HB3  ASN  15           2HB      ASN  15   5.411   9.684  -4.499
  101   HD21  ASN  15          1HD2      ASN  15   5.872   8.336  -6.196
  102   HD22  ASN  15          2HD2      ASN  15   5.103   8.467  -7.738
  103    H    CYS  16           H        CYS  16   5.715   8.444  -2.650
  104    HA   CYS  16           HA       CYS  16   6.513   8.789  -0.548
  105    HB2  CYS  16           1HB      CYS  16   5.506  11.093  -1.036
  106    HB3  CYS  16           2HB      CYS  16   4.152  10.583  -0.012
  107    H    LEU  17           H        LEU  17   4.059   6.984  -1.258
  108    HA   LEU  17           HA       LEU  17   3.567   6.185   1.526
  109    HB2  LEU  17           1HB      LEU  17   1.639   7.459   0.380
  110    HB3  LEU  17           2HB      LEU  17   1.437   5.979  -0.575
  111    HG   LEU  17           HG       LEU  17   1.133   4.742   1.601
  112   HD11  LEU  17          1HD1      LEU  17   0.658   5.949   3.590
  113   HD12  LEU  17          2HD1      LEU  17   0.738   7.496   2.750
  114   HD13  LEU  17          3HD1      LEU  17   2.203   6.543   2.980
  115   HD21  LEU  17          3HD2      LEU  17  -0.751   5.317   0.181
  116   HD22  LEU  17          1HD2      LEU  17  -0.838   6.920   0.911
  117   HD23  LEU  17          2HD2      LEU  17  -1.190   5.489   1.880
  118    H    CYS  18           H        CYS  18   2.892   3.928   1.752
  119    HA   CYS  18           HA       CYS  18   3.899   2.247  -0.451
  120    HB2  CYS  18           1HB      CYS  18   4.113   1.724   2.521
  121    HB3  CYS  18           2HB      CYS  18   4.714   0.662   1.238
  122    H    CYS  19           H        CYS  19   2.661   0.573  -1.099
  123    HA   CYS  19           HA       CYS  19   0.063   0.253   0.228
  124    HB2  CYS  19           1HB      CYS  19   0.078   0.878  -2.165
  125    HB3  CYS  19           2HB      CYS  19   0.917  -0.639  -2.534
  126    H    GLY  20           H        GLY  20   0.064  -1.336   1.685
  127    HA2  GLY  20           2HA      GLY  20   1.868  -3.515   1.683
  128    HA3  GLY  20           3HA      GLY  20   0.424  -3.376   2.674
  129    H    LYS  21           H        LYS  21   1.728  -5.562   0.949
  130    HA   LYS  21           HA       LYS  21   0.277  -6.258  -1.251
  131    HB2  LYS  21           1HB      LYS  21   2.159  -7.575  -0.430
  132    HB3  LYS  21           2HB      LYS  21   1.200  -8.099   0.964
  133    HG2  LYS  21           1HG      LYS  21   0.080  -9.662  -0.206
  134    HG3  LYS  21           2HG      LYS  21   0.003  -8.657  -1.663
  135    HD2  LYS  21           1HD      LYS  21   1.865  -9.563  -2.540
  136    HD3  LYS  21           2HD      LYS  21   2.711  -9.533  -0.983
  137    HE2  LYS  21           1HE      LYS  21   0.503 -11.515  -1.403
  138    HE3  LYS  21           2HE      LYS  21   2.091 -11.811  -2.129
  139    HZ1  LYS  21           3HZ      LYS  21   2.120 -11.033   0.668
  140    HZ2  LYS  21           1HZ      LYS  21   3.028 -12.210  -0.140
  141    HZ3  LYS  21           2HZ      LYS  21   1.443 -12.549   0.341
  142    H    TYR  22           H        TYR  22  -0.760  -6.323   2.078
  143    HA   TYR  22           HA       TYR  22  -3.168  -7.818   1.510
  144    HB2  TYR  22           1HB      TYR  22  -2.200  -6.377   3.991
  145    HB3  TYR  22           2HB      TYR  22  -3.718  -7.274   3.904
  146    HD1  TYR  22           2HD      TYR  22  -3.723  -9.726   3.654
  147    HD2  TYR  22           1HD      TYR  22  -0.098  -7.553   4.149
  148    HE1  TYR  22           2HE      TYR  22  -2.556 -11.814   4.228
  149    HE2  TYR  22           1HE      TYR  22   1.079  -9.636   4.721
  150    HH   TYR  22           HH       TYR  22   0.095 -12.551   4.037
  151    H    GLY  23           H        GLY  23  -2.887  -5.478  -0.063
  152    HA2  GLY  23           2HA      GLY  23  -4.002  -3.561  -0.683
  153    HA3  GLY  23           3HA      GLY  23  -5.405  -4.402  -0.040
  154    H    PHE  24           H        PHE  24  -2.561  -3.136   1.662
  155    HA   PHE  24           HA       PHE  24  -4.319  -1.217   3.031
  156    HB2  PHE  24           1HB      PHE  24  -3.808  -3.323   4.386
  157    HB3  PHE  24           2HB      PHE  24  -2.142  -2.747   4.449
  158    HD1  PHE  24           1HD      PHE  24  -1.741  -0.381   5.379
  159    HD2  PHE  24           2HD      PHE  24  -5.332  -2.584   5.983
  160    HE1  PHE  24           1HE      PHE  24  -2.275   1.029   7.323
  161    HE2  PHE  24           2HE      PHE  24  -5.872  -1.177   7.927
  162    HZ   PHE  24           HZ       PHE  24  -4.344   0.634   8.598
  163    H    CYS  25           H        CYS  25  -3.603   0.681   2.279
  164    HA   CYS  25           HA       CYS  25  -0.769   1.126   1.824
  165    HB2  CYS  25           1HB      CYS  25  -3.281   2.668   1.266
  166    HB3  CYS  25           2HB      CYS  25  -1.707   3.477   1.188
  167    H    GLY  26           H        GLY  26   0.558   1.974   3.282
  168    HA2  GLY  26           2HA      GLY  26  -0.464   3.902   5.226
  169    HA3  GLY  26           3HA      GLY  26   0.254   2.431   5.864
  170    H    SER  27           H        SER  27   1.802   3.812   6.917
  171    HA   SER  27           HA       SER  27   4.005   4.536   5.113
  172    HB2  SER  27           1HB      SER  27   2.679   6.564   5.887
  173    HB3  SER  27           2HB      SER  27   3.254   6.197   7.523
  174    HG   SER  27           HG       SER  27   4.509   7.613   5.760
  175    H    GLY  28           H        GLY  28   5.935   5.249   6.799
  176    HA2  GLY  28           2HA      GLY  28   7.419   4.535   8.415
  177    HA3  GLY  28           3HA      GLY  28   6.114   3.603   9.133
  178    H    ASP  29           H        ASP  29   8.785   2.713   8.914
  179    HA   ASP  29           HA       ASP  29   9.225   1.034   6.697
  180    HB2  ASP  29           1HB      ASP  29  10.292   0.967   9.526
  181    HB3  ASP  29           2HB      ASP  29  10.838  -0.145   8.264
  182    HD2  ASP  29           HD       ASP  29  12.639   3.199   8.425
  183    H    ALA  30           H        ALA  30   7.108   0.752   9.347
  184    HA   ALA  30           HA       ALA  30   6.979  -2.026   9.693
  185    HB1  ALA  30           1HB      ALA  30   5.022   0.195  10.155
  186    HB2  ALA  30           2HB      ALA  30   4.566  -1.489  10.422
  187    HB3  ALA  30           3HB      ALA  30   5.900  -0.782  11.334
  188    H    TYR  31           H        TYR  31   5.574   0.081   7.278
  189    HA   TYR  31           HA       TYR  31   4.367  -2.278   5.987
  190    HB2  TYR  31           1HB      TYR  31   3.474   0.614   5.861
  191    HB3  TYR  31           2HB      TYR  31   2.757  -0.707   4.936
  192    HD1  TYR  31           2HD      TYR  31   3.343   0.462   8.413
  193    HD2  TYR  31           1HD      TYR  31   1.060  -2.048   5.846
  194    HE1  TYR  31           2HE      TYR  31   1.807  -0.030  10.270
  195    HE2  TYR  31           1HE      TYR  31  -0.483  -2.547   7.696
  196    HH   TYR  31           HH       TYR  31  -0.060  -2.440  10.523
  197    H    CYS  32           H        CYS  32   6.614   0.272   5.739
  198    HA   CYS  32           HA       CYS  32   6.748   0.181   2.834
  199    HB2  CYS  32           1HB      CYS  32   8.085   1.807   4.971
  200    HB3  CYS  32           2HB      CYS  32   8.753   1.775   3.330
  201    H    GLY  33           H        GLY  33   8.321  -1.190   5.592
  202    HA2  GLY  33           2HA      GLY  33  10.832  -1.814   4.529
  203    HA3  GLY  33           3HA      GLY  33  10.013  -2.727   5.790
  204    H    ALA  34           H        ALA  34  11.637  -3.974   3.935
  205    HA   ALA  34           HA       ALA  34  10.043  -5.061   1.797
  206    HB1  ALA  34           1HB      ALA  34  12.453  -6.550   2.450
  207    HB2  ALA  34           2HB      ALA  34  11.996  -5.735   0.955
  208    HB3  ALA  34           3HB      ALA  34  12.749  -4.822   2.262
  209    H    GLY  35           H        GLY  35   8.471  -6.474   2.205
  210    HA2  GLY  35           2HA      GLY  35   8.688  -9.024   3.021
  211    HA3  GLY  35           3HA      GLY  35   8.571  -8.172   4.554
  212    H    SER  36           H        SER  36   6.813  -6.120   3.197
  213    HA   SER  36           HA       SER  36   4.387  -7.706   2.778
  214    HB2  SER  36           1HB      SER  36   4.461  -7.120   5.185
  215    HB3  SER  36           2HB      SER  36   4.557  -5.406   4.742
  216    HG   SER  36           HG       SER  36   2.427  -5.805   5.098
  217    H    CYS  37           H        CYS  37   6.352  -5.683   1.410
  218    HA   CYS  37           HA       CYS  37   4.467  -3.641   0.549
  219    HB2  CYS  37           1HB      CYS  37   6.923  -3.216   1.058
  220    HB3  CYS  37           2HB      CYS  37   7.278  -4.047  -0.466
  221    H    GLN  38           H        GLN  38   3.461  -3.580  -1.384
  222    HA   GLN  38           HA       GLN  38   4.147  -5.647  -3.362
  223    HB2  GLN  38           1HB      GLN  38   2.186  -6.481  -2.328
  224    HB3  GLN  38           2HB      GLN  38   1.423  -4.884  -2.326
  225    HG2  GLN  38           1HG      GLN  38   1.277  -4.943  -4.773
  226    HG3  GLN  38           2HG      GLN  38   2.009  -6.553  -4.761
  227   HE21  GLN  38          1HE2      GLN  38  -0.725  -4.751  -3.415
  228   HE22  GLN  38          2HE2      GLN  38  -1.843  -6.068  -3.467
  229    H    SER  39           H        SER  39   2.297  -2.645  -2.860
  230    HA   SER  39           HA       SER  39   3.160  -1.785  -5.543
  231    HB2  SER  39           1HB      SER  39   0.870  -2.123  -5.860
  232    HB3  SER  39           2HB      SER  39   0.469  -1.577  -4.222
  233    HG   SER  39           HG       SER  39   1.141  -0.038  -6.484
  234    H    GLN  40           H        GLN  40   3.361   0.533  -5.828
  235    HA   GLN  40           HA       GLN  40   4.304   2.519  -5.232
  236    HB2  GLN  40           1HB      GLN  40   2.231   2.062  -3.106
  237    HB3  GLN  40           2HB      GLN  40   3.275   3.492  -3.048
  238    HG2  GLN  40           1HG      GLN  40   1.582   4.406  -4.224
  239    HG3  GLN  40           2HG      GLN  40   2.463   3.684  -5.578
  240   HE21  GLN  40          1HE2      GLN  40   0.836   3.218  -6.935
  241   HE22  GLN  40          2HE2      GLN  40  -0.476   2.155  -6.569
  242    H    CYS  41           H        CYS  41   5.967   0.459  -4.666
  243    HA   CYS  41           HA       CYS  41   6.881   0.594  -1.933
  244    HB2  CYS  41           1HB      CYS  41   7.888  -0.789  -4.413
  245    HB3  CYS  41           2HB      CYS  41   8.791  -0.825  -2.888
  246    H    ARG  42           H        ARG  42   7.041   3.057  -2.291
  247    HA   ARG  42           HA       ARG  42   9.816   3.716  -2.402
  248    HB2  ARG  42           1HB      ARG  42   9.051   3.623  -4.849
  249    HB3  ARG  42           2HB      ARG  42   8.124   5.086  -4.480
  250    HG2  ARG  42           1HG      ARG  42  10.032   6.375  -4.126
  251    HG3  ARG  42           2HG      ARG  42  11.057   4.947  -3.906
  252    HD2  ARG  42           1HD      ARG  42  11.030   4.430  -6.218
  253    HD3  ARG  42           2HD      ARG  42   9.694   5.551  -6.515
  254    HE   ARG  42           HE       ARG  42  11.718   7.122  -5.553
  255   HH11  ARG  42          1HH1      ARG  42  11.341   4.904  -8.209
  256   HH12  ARG  42          2HH1      ARG  42  12.472   5.730  -9.230
  257   HH21  ARG  42          1HH2      ARG  42  13.208   8.219  -6.887
  258   HH22  ARG  42          2HH2      ARG  42  13.533   7.615  -8.477
  259    H    GLY  43           H        GLY  43   7.383   3.943  -0.696
  260    HA2  GLY  43           2HA      GLY  43   6.627   6.683  -0.556
  261    HA3  GLY  43           3HA      GLY  43   6.355   5.468   0.686
  262    H    CYS  44           H        CYS  44   6.853   7.728   1.778
  263    HA   CYS  44           HA       CYS  44   9.732   8.066   2.164
  264    HB2  CYS  44           1HB      CYS  44   7.522   9.723   3.374
  265    HB3  CYS  44           2HB      CYS  44   9.228  10.165   3.178
  Start of MODEL    3
    1    H1   ALA   1           H        ALA   1  -4.109   6.482   5.720
    2    HA   ALA   1           HA       ALA   1  -4.213   3.859   6.679
    3    HB1  ALA   1           1HB      ALA   1  -6.049   3.808   8.155
    4    HB2  ALA   1           2HB      ALA   1  -5.011   5.113   8.733
    5    HB3  ALA   1           3HB      ALA   1  -6.470   5.487   7.814
    6    H    GLN   2           H        GLN   2  -4.365   3.662   4.390
    7    HA   GLN   2           HA       GLN   2  -7.121   3.913   3.421
    8    HB2  GLN   2           1HB      GLN   2  -6.143   4.536   1.154
    9    HB3  GLN   2           2HB      GLN   2  -6.122   5.792   2.403
   10    HG2  GLN   2           1HG      GLN   2  -3.700   4.170   2.399
   11    HG3  GLN   2           2HG      GLN   2  -3.988   5.002   0.864
   12   HE21  GLN   2          1HE2      GLN   2  -4.785   7.360   1.244
   13   HE22  GLN   2          2HE2      GLN   2  -3.825   8.275   2.351
   14    H    ARG   3           H        ARG   3  -7.762   2.355   1.920
   15    HA   ARG   3           HA       ARG   3  -6.054  -0.021   1.876
   16    HB2  ARG   3           1HB      ARG   3  -8.976   0.296   1.148
   17    HB3  ARG   3           2HB      ARG   3  -8.087  -1.231   1.232
   18    HG2  ARG   3           1HG      ARG   3  -7.803  -1.031   3.602
   19    HG3  ARG   3           2HG      ARG   3  -8.480   0.605   3.581
   20    HD2  ARG   3           1HD      ARG   3 -10.400  -0.442   4.150
   21    HD3  ARG   3           2HD      ARG   3 -10.492  -0.765   2.413
   22    HE   ARG   3           HE       ARG   3  -9.065  -2.864   3.365
   23   HH11  ARG   3          1HH1      ARG   3 -12.129  -1.445   4.214
   24   HH12  ARG   3          2HH1      ARG   3 -12.819  -2.940   4.754
   25   HH21  ARG   3          1HH2      ARG   3  -9.962  -4.838   4.073
   26   HH22  ARG   3          2HH2      ARG   3 -11.585  -4.869   4.674
   27    H    CYS   4           H        CYS   4  -5.463  -1.067  -0.005
   28    HA   CYS   4           HA       CYS   4  -6.218   0.146  -2.559
   29    HB2  CYS   4           1HB      CYS   4  -3.778  -0.042  -3.261
   30    HB3  CYS   4           2HB      CYS   4  -4.193   1.295  -2.175
   31    H    GLY   5           H        GLY   5  -4.766  -1.250  -4.308
   32    HA2  GLY   5           2HA      GLY   5  -4.587  -3.282  -5.364
   33    HA3  GLY   5           3HA      GLY   5  -4.374  -3.984  -3.768
   34    H    ASP   6           H        ASP   6  -5.591  -5.812  -4.253
   35    HA   ASP   6           HA       ASP   6  -8.132  -5.834  -5.414
   36    HB2  ASP   6           1HB      ASP   6  -6.701  -7.840  -5.087
   37    HB3  ASP   6           2HB      ASP   6  -7.048  -7.767  -3.355
   38    HD2  ASP   6           HD       ASP   6  -9.968  -9.479  -3.780
   39    H    GLN   7           H        GLN   7  -7.123  -4.869  -2.281
   40    HA   GLN   7           HA       GLN   7  -9.690  -5.228  -1.021
   41    HB2  GLN   7           1HB      GLN   7  -7.157  -3.821  -0.164
   42    HB3  GLN   7           2HB      GLN   7  -8.618  -3.890   0.834
   43    HG2  GLN   7           1HG      GLN   7  -7.448  -6.434  -0.199
   44    HG3  GLN   7           2HG      GLN   7  -6.687  -5.615   1.171
   45   HE21  GLN   7          1HE2      GLN   7  -7.194  -7.151   2.676
   46   HE22  GLN   7          2HE2      GLN   7  -8.807  -7.462   3.208
   47    H    ALA   8           H        ALA   8  -8.652  -3.148  -3.311
   48    HA   ALA   8           HA       ALA   8 -10.650  -1.150  -2.540
   49    HB1  ALA   8           1HB      ALA   8  -9.209   0.700  -3.109
   50    HB2  ALA   8           2HB      ALA   8  -8.438  -0.284  -1.865
   51    HB3  ALA   8           3HB      ALA   8  -7.906  -0.406  -3.542
   52    H    ARG   9           H        ARG   9 -10.757  -3.307  -4.432
   53    HA   ARG   9           HA       ARG   9 -11.411  -3.743  -6.567
   54    HB2  ARG   9           1HB      ARG   9 -12.949  -1.799  -5.901
   55    HB3  ARG   9           2HB      ARG   9 -11.889  -0.791  -6.898
   56    HG2  ARG   9           1HG      ARG   9 -12.470  -2.934  -8.549
   57    HG3  ARG   9           2HG      ARG   9 -13.990  -2.620  -7.693
   58    HD2  ARG   9           1HD      ARG   9 -13.138  -0.082  -8.333
   59    HD3  ARG   9           2HD      ARG   9 -12.621  -1.036  -9.730
   60    HE   ARG   9           HE       ARG   9 -14.804  -1.190 -10.362
   61   HH11  ARG   9          1HH1      ARG   9 -14.684  -0.443  -6.963
   62   HH12  ARG   9          2HH1      ARG   9 -16.399  -0.255  -6.810
   63   HH21  ARG   9          1HH2      ARG   9 -17.064  -0.946 -10.173
   64   HH22  ARG   9          2HH2      ARG   9 -17.752  -0.543  -8.637
   65    H    GLY  10           H        GLY  10  -8.612  -3.062  -6.028
   66    HA2  GLY  10           2HA      GLY  10  -6.731  -3.072  -7.385
   67    HA3  GLY  10           3HA      GLY  10  -7.770  -2.782  -8.773
   68    H    ALA  11           H        ALA  11  -7.965  -0.721  -5.985
   69    HA   ALA  11           HA       ALA  11  -7.278   1.572  -7.573
   70    HB1  ALA  11           1HB      ALA  11  -9.060   1.600  -5.848
   71    HB2  ALA  11           2HB      ALA  11  -7.813   1.445  -4.610
   72    HB3  ALA  11           3HB      ALA  11  -7.860   2.875  -5.641
   73    H    LYS  12           H        LYS  12  -5.474   2.839  -7.463
   74    HA   LYS  12           HA       LYS  12  -3.177   1.674  -6.063
   75    HB2  LYS  12           1HB      LYS  12  -3.457   3.524  -8.423
   76    HB3  LYS  12           2HB      LYS  12  -1.919   3.368  -7.560
   77    HG2  LYS  12           1HG      LYS  12  -1.462   1.686  -8.940
   78    HG3  LYS  12           2HG      LYS  12  -2.649   0.752  -8.013
   79    HD2  LYS  12           1HD      LYS  12  -4.425   1.432  -9.548
   80    HD3  LYS  12           2HD      LYS  12  -3.262   2.410 -10.460
   81    HE2  LYS  12           1HE      LYS  12  -2.121  -0.155 -10.285
   82    HE3  LYS  12           2HE      LYS  12  -3.833  -0.403 -10.661
   83    HZ1  LYS  12           3HZ      LYS  12  -2.140  -0.037 -12.565
   84    HZ2  LYS  12           1HZ      LYS  12  -2.301   1.601 -12.173
   85    HZ3  LYS  12           2HZ      LYS  12  -3.657   0.708 -12.648
   86    H    CYS  13           H        CYS  13  -1.638   3.110  -5.013
   87    HA   CYS  13           HA       CYS  13  -3.007   5.363  -3.713
   88    HB2  CYS  13           1HB      CYS  13  -0.837   3.483  -2.846
   89    HB3  CYS  13           2HB      CYS  13  -1.016   5.057  -2.054
   90    HA   PRO  14           HA       PRO  14  -0.271   8.344  -5.406
   91    HB2  PRO  14           1HB      PRO  14   0.069  10.070  -3.308
   92    HB3  PRO  14           2HB      PRO  14  -1.432   9.934  -4.222
   93    HG2  PRO  14           1HG      PRO  14  -0.676   8.671  -1.608
   94    HG3  PRO  14           2HG      PRO  14  -2.209   9.499  -2.074
   95    HD2  PRO  14           1HD      PRO  14  -1.970   6.797  -1.992
   96    HD3  PRO  14           2HD      PRO  14  -3.000   7.630  -3.168
   97    H    ASN  15           H        ASN  15   1.788   9.710  -4.652
   98    HA   ASN  15           HA       ASN  15   3.831   7.747  -4.142
   99    HB2  ASN  15           1HB      ASN  15   4.080  10.745  -4.515
  100    HB3  ASN  15           2HB      ASN  15   5.402   9.574  -4.573
  101   HD21  ASN  15          1HD2      ASN  15   2.538  10.725  -6.202
  102   HD22  ASN  15          2HD2      ASN  15   2.908  10.048  -7.748
  103    H    CYS  16           H        CYS  16   5.686   8.433  -2.627
  104    HA   CYS  16           HA       CYS  16   6.450   8.803  -0.516
  105    HB2  CYS  16           1HB      CYS  16   5.416  11.088  -1.033
  106    HB3  CYS  16           2HB      CYS  16   4.055  10.565  -0.025
  107    H    LEU  17           H        LEU  17   4.030   6.959  -1.250
  108    HA   LEU  17           HA       LEU  17   3.513   6.169   1.532
  109    HB2  LEU  17           1HB      LEU  17   1.586   7.410   0.354
  110    HB3  LEU  17           2HB      LEU  17   1.414   5.923  -0.594
  111    HG   LEU  17           HG       LEU  17   1.098   4.694   1.583
  112   HD11  LEU  17          1HD1      LEU  17   0.417   6.030   3.520
  113   HD12  LEU  17          2HD1      LEU  17   0.846   7.502   2.649
  114   HD13  LEU  17          3HD1      LEU  17   2.096   6.333   3.071
  115   HD21  LEU  17          3HD2      LEU  17  -0.911   6.845   0.924
  116   HD22  LEU  17          1HD2      LEU  17  -1.232   5.348   1.799
  117   HD23  LEU  17          2HD2      LEU  17  -0.762   5.292   0.100
  118    H    CYS  18           H        CYS  18   2.866   3.903   1.763
  119    HA   CYS  18           HA       CYS  18   3.920   2.225  -0.419
  120    HB2  CYS  18           1HB      CYS  18   4.110   1.724   2.557
  121    HB3  CYS  18           2HB      CYS  18   4.742   0.662   1.286
  122    H    CYS  19           H        CYS  19   2.712   0.532  -1.072
  123    HA   CYS  19           HA       CYS  19   0.106   0.184   0.230
  124    HB2  CYS  19           1HB      CYS  19   0.140   0.792  -2.168
  125    HB3  CYS  19           2HB      CYS  19   1.000  -0.717  -2.516
  126    H    GLY  20           H        GLY  20   0.105  -1.400   1.694
  127    HA2  GLY  20           2HA      GLY  20   1.942  -3.553   1.725
  128    HA3  GLY  20           3HA      GLY  20   0.486  -3.428   2.702
  129    H    LYS  21           H        LYS  21   1.837  -5.607   1.005
  130    HA   LYS  21           HA       LYS  21   0.420  -6.337  -1.206
  131    HB2  LYS  21           1HB      LYS  21   2.297  -7.636  -0.386
  132    HB3  LYS  21           2HB      LYS  21   1.367  -8.128   1.038
  133    HG2  LYS  21           1HG      LYS  21   0.009  -9.573  -0.171
  134    HG3  LYS  21           2HG      LYS  21   0.385  -8.779  -1.711
  135    HD2  LYS  21           1HD      LYS  21   2.572  -9.710  -1.776
  136    HD3  LYS  21           2HD      LYS  21   2.452 -10.256  -0.094
  137    HE2  LYS  21           1HE      LYS  21   0.536 -11.741  -0.817
  138    HE3  LYS  21           2HE      LYS  21   0.960 -11.321  -2.484
  139    HZ1  LYS  21           3HZ      LYS  21   2.237 -13.156  -0.693
  140    HZ2  LYS  21           1HZ      LYS  21   3.334 -12.076  -1.396
  141    HZ3  LYS  21           2HZ      LYS  21   2.348 -13.039  -2.377
  142    H    TYR  22           H        TYR  22  -0.655  -6.395   2.113
  143    HA   TYR  22           HA       TYR  22  -3.038  -7.921   1.525
  144    HB2  TYR  22           1HB      TYR  22  -2.181  -6.423   4.014
  145    HB3  TYR  22           2HB      TYR  22  -3.619  -7.439   3.897
  146    HD1  TYR  22           1HD      TYR  22   0.085  -7.584   3.541
  147    HD2  TYR  22           2HD      TYR  22  -3.502  -9.727   4.343
  148    HE1  TYR  22           1HE      TYR  22   1.411  -9.564   4.148
  149    HE2  TYR  22           2HE      TYR  22  -2.186 -11.713   4.953
  150    HH   TYR  22           HH       TYR  22   0.797 -11.751   5.808
  151    H    GLY  23           H        GLY  23  -2.768  -5.589  -0.060
  152    HA2  GLY  23           2HA      GLY  23  -3.898  -3.688  -0.703
  153    HA3  GLY  23           3HA      GLY  23  -5.298  -4.543  -0.072
  154    H    PHE  24           H        PHE  24  -2.490  -3.232   1.656
  155    HA   PHE  24           HA       PHE  24  -4.287  -1.327   2.993
  156    HB2  PHE  24           1HB      PHE  24  -3.738  -3.439   4.351
  157    HB3  PHE  24           2HB      PHE  24  -2.100  -2.789   4.461
  158    HD1  PHE  24           2HD      PHE  24  -5.586  -2.282   5.473
  159    HD2  PHE  24           1HD      PHE  24  -1.579  -0.892   5.829
  160    HE1  PHE  24           2HE      PHE  24  -6.241  -0.899   7.398
  161    HE2  PHE  24           1HE      PHE  24  -2.226   0.493   7.756
  162    HZ   PHE  24           HZ       PHE  24  -4.561   0.492   8.542
  163    H    CYS  25           H        CYS  25  -3.587   0.575   2.238
  164    HA   CYS  25           HA       CYS  25  -0.755   1.054   1.812
  165    HB2  CYS  25           1HB      CYS  25  -3.280   2.560   1.218
  166    HB3  CYS  25           2HB      CYS  25  -1.716   3.389   1.151
  167    H    GLY  26           H        GLY  26   0.546   1.928   3.279
  168    HA2  GLY  26           2HA      GLY  26  -0.524   3.854   5.201
  169    HA3  GLY  26           3HA      GLY  26   0.207   2.395   5.854
  170    H    SER  27           H        SER  27   1.724   3.804   6.916
  171    HA   SER  27           HA       SER  27   3.936   4.550   5.132
  172    HB2  SER  27           1HB      SER  27   2.574   6.562   5.881
  173    HB3  SER  27           2HB      SER  27   3.139   6.212   7.524
  174    HG   SER  27           HG       SER  27   4.641   7.010   5.276
  175    H    GLY  28           H        GLY  28   5.839   5.297   6.833
  176    HA2  GLY  28           2HA      GLY  28   7.318   4.610   8.465
  177    HA3  GLY  28           3HA      GLY  28   6.016   3.670   9.180
  178    H    ASP  29           H        ASP  29   8.698   2.807   8.995
  179    HA   ASP  29           HA       ASP  29   9.181   1.119   6.794
  180    HB2  ASP  29           1HB      ASP  29  10.361   1.611   9.430
  181    HB3  ASP  29           2HB      ASP  29  10.515  -0.070   8.900
  182    HD2  ASP  29           HD       ASP  29  12.242   2.604   6.518
  183    H    ALA  30           H        ALA  30   7.033   0.831   9.420
  184    HA   ALA  30           HA       ALA  30   6.928  -1.946   9.784
  185    HB1  ALA  30           1HB      ALA  30   5.503  -1.285  11.347
  186    HB2  ALA  30           2HB      ALA  30   5.440   0.328  10.637
  187    HB3  ALA  30           3HB      ALA  30   4.316  -0.919  10.095
  188    H    TYR  31           H        TYR  31   5.532   0.129   7.335
  189    HA   TYR  31           HA       TYR  31   4.372  -2.254   6.044
  190    HB2  TYR  31           1HB      TYR  31   3.442   0.626   5.898
  191    HB3  TYR  31           2HB      TYR  31   2.759  -0.702   4.958
  192    HD1  TYR  31           2HD      TYR  31   1.511  -2.528   6.085
  193    HD2  TYR  31           1HD      TYR  31   2.825   0.923   8.199
  194    HE1  TYR  31           2HE      TYR  31  -0.057  -3.054   7.907
  195    HE2  TYR  31           1HE      TYR  31   1.262   0.406  10.026
  196    HH   TYR  31           HH       TYR  31  -0.523  -0.857  10.620
  197    H    CYS  32           H        CYS  32   6.589   0.323   5.809
  198    HA   CYS  32           HA       CYS  32   6.761   0.217   2.907
  199    HB2  CYS  32           1HB      CYS  32   8.050   1.873   5.052
  200    HB3  CYS  32           2HB      CYS  32   8.739   1.840   3.419
  201    H    GLY  33           H        GLY  33   8.318  -1.115   5.694
  202    HA2  GLY  33           2HA      GLY  33  10.848  -1.715   4.665
  203    HA3  GLY  33           3HA      GLY  33  10.027  -2.628   5.921
  204    H    ALA  34           H        ALA  34  11.688  -3.869   4.097
  205    HA   ALA  34           HA       ALA  34  10.135  -4.990   1.947
  206    HB1  ALA  34           1HB      ALA  34  12.216  -6.557   1.866
  207    HB2  ALA  34           2HB      ALA  34  12.363  -4.870   1.374
  208    HB3  ALA  34           3HB      ALA  34  12.912  -5.374   2.973
  209    H    GLY  35           H        GLY  35   8.580  -6.426   2.338
  210    HA2  GLY  35           2HA      GLY  35   8.818  -8.964   3.176
  211    HA3  GLY  35           3HA      GLY  35   8.673  -8.106   4.703
  212    H    SER  36           H        SER  36   6.905  -6.084   3.313
  213    HA   SER  36           HA       SER  36   4.503  -7.703   2.879
  214    HB2  SER  36           1HB      SER  36   4.522  -7.113   5.277
  215    HB3  SER  36           2HB      SER  36   4.644  -5.398   4.841
  216    HG   SER  36           HG       SER  36   2.495  -5.860   5.207
  217    H    CYS  37           H        CYS  37   6.459  -5.664   1.519
  218    HA   CYS  37           HA       CYS  37   4.557  -3.652   0.621
  219    HB2  CYS  37           1HB      CYS  37   7.003  -3.196   1.155
  220    HB3  CYS  37           2HB      CYS  37   7.383  -4.028  -0.362
  221    H    GLN  38           H        GLN  38   3.571  -3.619  -1.322
  222    HA   GLN  38           HA       GLN  38   4.306  -5.689  -3.279
  223    HB2  GLN  38           1HB      GLN  38   2.346  -6.545  -2.257
  224    HB3  GLN  38           2HB      GLN  38   1.561  -4.959  -2.277
  225    HG2  GLN  38           1HG      GLN  38   1.444  -5.041  -4.727
  226    HG3  GLN  38           2HG      GLN  38   2.199  -6.640  -4.690
  227   HE21  GLN  38          1HE2      GLN  38  -0.575  -4.866  -3.392
  228   HE22  GLN  38          2HE2      GLN  38  -1.674  -6.198  -3.445
  229    H    SER  39           H        SER  39   2.416  -2.708  -2.812
  230    HA   SER  39           HA       SER  39   3.292  -1.853  -5.492
  231    HB2  SER  39           1HB      SER  39   1.011  -2.227  -5.832
  232    HB3  SER  39           2HB      SER  39   0.585  -1.675  -4.201
  233    HG   SER  39           HG       SER  39   0.719  -0.250  -6.475
  234    H    GLN  40           H        GLN  40   3.464   0.465  -5.790
  235    HA   GLN  40           HA       GLN  40   4.371   2.469  -5.198
  236    HB2  GLN  40           1HB      GLN  40   2.502   2.102  -2.844
  237    HB3  GLN  40           2HB      GLN  40   3.269   3.627  -3.313
  238    HG2  GLN  40           1HG      GLN  40   1.402   2.066  -5.093
  239    HG3  GLN  40           2HG      GLN  40   0.900   3.392  -4.036
  240   HE21  GLN  40          1HE2      GLN  40   0.725   3.213  -6.916
  241   HE22  GLN  40          2HE2      GLN  40   1.626   4.545  -7.548
  242    H    CYS  41           H        CYS  41   6.057   0.433  -4.599
  243    HA   CYS  41           HA       CYS  41   6.942   0.600  -1.858
  244    HB2  CYS  41           1HB      CYS  41   7.993  -0.786  -4.318
  245    HB3  CYS  41           2HB      CYS  41   8.877  -0.800  -2.782
  246    H    ARG  42           H        ARG  42   7.073   3.062  -2.234
  247    HA   ARG  42           HA       ARG  42   9.839   3.757  -2.322
  248    HB2  ARG  42           1HB      ARG  42   9.123   3.636  -4.773
  249    HB3  ARG  42           2HB      ARG  42   8.142   5.070  -4.436
  250    HG2  ARG  42           1HG      ARG  42   9.928   6.455  -4.317
  251    HG3  ARG  42           2HG      ARG  42  10.979   5.205  -3.630
  252    HD2  ARG  42           1HD      ARG  42  11.185   4.134  -5.815
  253    HD3  ARG  42           2HD      ARG  42  10.087   5.334  -6.509
  254    HE   ARG  42           HE       ARG  42  12.333   6.570  -5.268
  255   HH11  ARG  42          1HH1      ARG  42  11.301   4.889  -8.137
  256   HH12  ARG  42          2HH1      ARG  42  12.498   5.620  -9.154
  257   HH21  ARG  42          1HH2      ARG  42  13.914   7.539  -6.597
  258   HH22  ARG  42          2HH2      ARG  42  13.984   7.127  -8.275
  259    H    GLY  43           H        GLY  43   7.385   3.967  -0.643
  260    HA2  GLY  43           2HA      GLY  43   6.597   6.701  -0.533
  261    HA3  GLY  43           3HA      GLY  43   6.316   5.490   0.710
  262    H    CYS  44           H        CYS  44   6.778   7.768   1.789
  263    HA   CYS  44           HA       CYS  44   9.646   8.141   2.214
  264    HB2  CYS  44           1HB      CYS  44   7.396   9.762   3.403
  265    HB3  CYS  44           2HB      CYS  44   9.096  10.231   3.228
  Start of MODEL    4
    1    H1   ALA   1           H        ALA   1  -4.364   6.363   8.012
    2    HA   ALA   1           HA       ALA   1  -3.745   4.841   6.319
    3    HB1  ALA   1           1HB      ALA   1  -5.631   3.720   8.321
    4    HB2  ALA   1           2HB      ALA   1  -5.136   2.689   6.977
    5    HB3  ALA   1           3HB      ALA   1  -3.922   3.375   8.056
    6    H    GLN   2           H        GLN   2  -4.272   3.697   4.435
    7    HA   GLN   2           HA       GLN   2  -7.024   3.959   3.457
    8    HB2  GLN   2           1HB      GLN   2  -6.049   4.580   1.193
    9    HB3  GLN   2           2HB      GLN   2  -6.003   5.833   2.444
   10    HG2  GLN   2           1HG      GLN   2  -3.596   4.274   2.554
   11    HG3  GLN   2           2HG      GLN   2  -3.873   4.857   0.906
   12   HE21  GLN   2          1HE2      GLN   2  -2.856   5.662   4.036
   13   HE22  GLN   2          2HE2      GLN   2  -2.623   7.355   3.786
   14    H    ARG   3           H        ARG   3  -7.666   2.399   1.959
   15    HA   ARG   3           HA       ARG   3  -5.968   0.016   1.926
   16    HB2  ARG   3           1HB      ARG   3  -8.885   0.341   1.180
   17    HB3  ARG   3           2HB      ARG   3  -8.002  -1.189   1.281
   18    HG2  ARG   3           1HG      ARG   3  -8.149  -1.296   3.521
   19    HG3  ARG   3           2HG      ARG   3  -7.925   0.451   3.716
   20    HD2  ARG   3           1HD      ARG   3 -10.187  -0.409   4.407
   21    HD3  ARG   3           2HD      ARG   3 -10.205   0.892   3.209
   22    HE   ARG   3           HE       ARG   3 -10.268  -1.722   2.030
   23   HH11  ARG   3          1HH1      ARG   3 -12.189   0.811   3.451
   24   HH12  ARG   3          2HH1      ARG   3 -13.645   0.342   2.637
   25   HH21  ARG   3          1HH2      ARG   3 -12.179  -2.350   0.953
   26   HH22  ARG   3          2HH2      ARG   3 -13.639  -1.457   1.218
   27    H    CYS   4           H        CYS   4  -5.371  -1.035   0.051
   28    HA   CYS   4           HA       CYS   4  -6.111   0.172  -2.509
   29    HB2  CYS   4           1HB      CYS   4  -3.664  -0.028  -3.198
   30    HB3  CYS   4           2HB      CYS   4  -4.087   1.319  -2.127
   31    H    GLY   5           H        GLY   5  -4.657  -1.232  -4.250
   32    HA2  GLY   5           2HA      GLY   5  -4.475  -3.266  -5.298
   33    HA3  GLY   5           3HA      GLY   5  -4.272  -3.965  -3.698
   34    H    ASP   6           H        ASP   6  -5.490  -5.793  -4.208
   35    HA   ASP   6           HA       ASP   6  -8.029  -5.802  -5.372
   36    HB2  ASP   6           1HB      ASP   6  -6.289  -7.723  -4.523
   37    HB3  ASP   6           2HB      ASP   6  -7.560  -7.849  -3.301
   38    HD2  ASP   6           HD       ASP   6  -9.714  -9.371  -5.488
   39    H    GLN   7           H        GLN   7  -7.023  -4.861  -2.230
   40    HA   GLN   7           HA       GLN   7  -9.592  -5.224  -0.975
   41    HB2  GLN   7           1HB      GLN   7  -7.086  -3.776  -0.094
   42    HB3  GLN   7           2HB      GLN   7  -8.540  -3.945   0.905
   43    HG2  GLN   7           1HG      GLN   7  -7.212  -6.378  -0.222
   44    HG3  GLN   7           2HG      GLN   7  -6.560  -5.588   1.218
   45   HE21  GLN   7          1HE2      GLN   7  -8.565  -7.959   0.189
   46   HE22  GLN   7          2HE2      GLN   7  -9.580  -8.112   1.578
   47    H    ALA   8           H        ALA   8  -8.545  -3.128  -3.251
   48    HA   ALA   8           HA       ALA   8 -10.547  -1.135  -2.475
   49    HB1  ALA   8           1HB      ALA   8  -8.349  -0.264  -1.781
   50    HB2  ALA   8           2HB      ALA   8  -7.791  -0.395  -3.449
   51    HB3  ALA   8           3HB      ALA   8  -9.099   0.716  -3.042
   52    H    ARG   9           H        ARG   9 -10.653  -3.279  -4.378
   53    HA   ARG   9           HA       ARG   9 -11.297  -3.703  -6.518
   54    HB2  ARG   9           1HB      ARG   9 -12.824  -1.741  -5.831
   55    HB3  ARG   9           2HB      ARG   9 -11.777  -0.754  -6.860
   56    HG2  ARG   9           1HG      ARG   9 -13.125  -1.294  -8.544
   57    HG3  ARG   9           2HG      ARG   9 -12.390  -2.904  -8.469
   58    HD2  ARG   9           1HD      ARG   9 -14.133  -3.581  -6.822
   59    HD3  ARG   9           2HD      ARG   9 -14.894  -2.000  -7.053
   60    HE   ARG   9           HE       ARG   9 -15.104  -4.253  -8.775
   61   HH11  ARG   9          1HH1      ARG   9 -14.998  -0.774  -8.747
   62   HH12  ARG   9          2HH1      ARG   9 -15.898  -0.605 -10.218
   63   HH21  ARG   9          1HH2      ARG   9 -16.290  -4.044 -10.712
   64   HH22  ARG   9          2HH2      ARG   9 -16.634  -2.466 -11.334
   65    H    GLY  10           H        GLY  10  -8.502  -3.019  -5.967
   66    HA2  GLY  10           2HA      GLY  10  -6.616  -3.016  -7.319
   67    HA3  GLY  10           3HA      GLY  10  -7.651  -2.721  -8.708
   68    H    ALA  11           H        ALA  11  -7.845  -0.680  -5.901
   69    HA   ALA  11           HA       ALA  11  -7.168   1.627  -7.476
   70    HB1  ALA  11           1HB      ALA  11  -8.949   1.639  -5.749
   71    HB2  ALA  11           2HB      ALA  11  -7.701   1.476  -4.514
   72    HB3  ALA  11           3HB      ALA  11  -7.750   2.915  -5.533
   73    H    LYS  12           H        LYS  12  -5.341   2.836  -7.429
   74    HA   LYS  12           HA       LYS  12  -3.051   1.687  -6.012
   75    HB2  LYS  12           1HB      LYS  12  -3.345   3.524  -8.376
   76    HB3  LYS  12           2HB      LYS  12  -1.804   3.398  -7.512
   77    HG2  LYS  12           1HG      LYS  12  -1.298   1.443  -8.458
   78    HG3  LYS  12           2HG      LYS  12  -2.928   0.802  -8.186
   79    HD2  LYS  12           1HD      LYS  12  -2.327   2.804 -10.361
   80    HD3  LYS  12           2HD      LYS  12  -2.183   1.055 -10.607
   81    HE2  LYS  12           1HE      LYS  12  -4.413   0.755 -10.709
   82    HE3  LYS  12           2HE      LYS  12  -4.704   1.866  -9.363
   83    HZ1  LYS  12           3HZ      LYS  12  -5.486   2.455 -11.765
   84    HZ2  LYS  12           1HZ      LYS  12  -3.890   2.985 -11.950
   85    HZ3  LYS  12           2HZ      LYS  12  -4.871   3.658 -10.747
   86    H    CYS  13           H        CYS  13  -1.510   3.113  -4.959
   87    HA   CYS  13           HA       CYS  13  -2.867   5.371  -3.656
   88    HB2  CYS  13           1HB      CYS  13  -0.710   3.478  -2.790
   89    HB3  CYS  13           2HB      CYS  13  -0.879   5.054  -1.997
   90    HA   PRO  14           HA       PRO  14  -0.115   8.339  -5.346
   91    HB2  PRO  14           1HB      PRO  14   0.232  10.062  -3.245
   92    HB3  PRO  14           2HB      PRO  14  -1.269   9.934  -4.161
   93    HG2  PRO  14           1HG      PRO  14  -0.521   8.666  -1.548
   94    HG3  PRO  14           2HG      PRO  14  -2.050   9.501  -2.013
   95    HD2  PRO  14           1HD      PRO  14  -1.824   6.798  -1.934
   96    HD3  PRO  14           2HD      PRO  14  -2.849   7.638  -3.110
   97    H    ASN  15           H        ASN  15   1.950   9.695  -4.584
   98    HA   ASN  15           HA       ASN  15   3.983   7.721  -4.078
   99    HB2  ASN  15           1HB      ASN  15   4.199  10.717  -4.490
  100    HB3  ASN  15           2HB      ASN  15   5.559   9.588  -4.453
  101   HD21  ASN  15          1HD2      ASN  15   3.540  11.236  -6.441
  102   HD22  ASN  15          2HD2      ASN  15   3.685  10.274  -7.867
  103    H    CYS  16           H        CYS  16   5.838   8.387  -2.557
  104    HA   CYS  16           HA       CYS  16   6.599   8.744  -0.443
  105    HB2  CYS  16           1HB      CYS  16   5.589  11.040  -0.958
  106    HB3  CYS  16           2HB      CYS  16   4.223  10.529   0.047
  107    H    LEU  17           H        LEU  17   4.167   6.923  -1.185
  108    HA   LEU  17           HA       LEU  17   3.631   6.138   1.595
  109    HB2  LEU  17           1HB      LEU  17   1.717   7.391   0.404
  110    HB3  LEU  17           2HB      LEU  17   1.543   5.903  -0.544
  111    HG   LEU  17           HG       LEU  17   1.212   4.682   1.639
  112   HD11  LEU  17          1HD1      LEU  17   0.771   5.851   3.618
  113   HD12  LEU  17          2HD1      LEU  17   0.657   7.400   2.784
  114   HD13  LEU  17          3HD1      LEU  17   2.224   6.612   2.967
  115   HD21  LEU  17          3HD2      LEU  17  -1.115   5.287   1.798
  116   HD22  LEU  17          1HD2      LEU  17  -0.622   5.320   0.106
  117   HD23  LEU  17          2HD2      LEU  17  -0.807   6.829   1.000
  118    H    CYS  18           H        CYS  18   2.972   3.878   1.827
  119    HA   CYS  18           HA       CYS  18   4.018   2.189  -0.350
  120    HB2  CYS  18           1HB      CYS  18   4.212   1.685   2.625
  121    HB3  CYS  18           2HB      CYS  18   4.848   0.631   1.350
  122    H    CYS  19           H        CYS  19   2.804   0.493  -0.989
  123    HA   CYS  19           HA       CYS  19   0.196   0.167   0.315
  124    HB2  CYS  19           1HB      CYS  19   0.245   0.749  -2.092
  125    HB3  CYS  19           2HB      CYS  19   1.087  -0.774  -2.418
  126    H    GLY  20           H        GLY  20   0.157  -1.412   1.779
  127    HA2  GLY  20           2HA      GLY  20   1.994  -3.569   1.845
  128    HA3  GLY  20           3HA      GLY  20   0.536  -3.429   2.813
  129    H    LYS  21           H        LYS  21   1.879  -5.634   1.152
  130    HA   LYS  21           HA       LYS  21   0.478  -6.382  -1.062
  131    HB2  LYS  21           1HB      LYS  21   2.355  -7.660  -0.120
  132    HB3  LYS  21           2HB      LYS  21   1.311  -8.204   1.204
  133    HG2  LYS  21           1HG      LYS  21   0.085  -9.623  -0.148
  134    HG3  LYS  21           2HG      LYS  21   0.525  -8.747  -1.625
  135    HD2  LYS  21           1HD      LYS  21   2.848  -9.548  -1.402
  136    HD3  LYS  21           2HD      LYS  21   2.368 -10.462   0.040
  137    HE2  LYS  21           1HE      LYS  21   1.392 -12.104  -1.158
  138    HE3  LYS  21           2HE      LYS  21   0.696 -10.961  -2.316
  139    HZ1  LYS  21           3HZ      LYS  21   3.205 -12.408  -2.434
  140    HZ2  LYS  21           1HZ      LYS  21   3.280 -10.797  -2.945
  141    HZ3  LYS  21           2HZ      LYS  21   2.203 -11.870  -3.687
  142    H    TYR  22           H        TYR  22  -0.630  -6.400   2.248
  143    HA   TYR  22           HA       TYR  22  -3.024  -7.902   1.646
  144    HB2  TYR  22           1HB      TYR  22  -2.118  -6.426   4.131
  145    HB3  TYR  22           2HB      TYR  22  -3.625  -7.340   4.021
  146    HD1  TYR  22           2HD      TYR  22  -3.391  -9.840   3.251
  147    HD2  TYR  22           1HD      TYR  22  -0.218  -7.532   4.899
  148    HE1  TYR  22           2HE      TYR  22  -2.216 -11.910   3.872
  149    HE2  TYR  22           1HE      TYR  22   0.966  -9.595   5.523
  150    HH   TYR  22           HH       TYR  22   0.599 -11.889   5.895
  151    H    GLY  23           H        GLY  23  -2.719  -5.587   0.047
  152    HA2  GLY  23           2HA      GLY  23  -3.817  -3.675  -0.617
  153    HA3  GLY  23           3HA      GLY  23  -5.232  -4.509   0.007
  154    H    PHE  24           H        PHE  24  -2.426  -3.219   1.751
  155    HA   PHE  24           HA       PHE  24  -4.217  -1.292   3.066
  156    HB2  PHE  24           1HB      PHE  24  -3.717  -3.375   4.456
  157    HB3  PHE  24           2HB      PHE  24  -2.053  -2.795   4.534
  158    HD1  PHE  24           2HD      PHE  24  -5.510  -1.533   5.142
  159    HD2  PHE  24           1HD      PHE  24  -1.420  -1.503   6.320
  160    HE1  PHE  24           2HE      PHE  24  -6.077  -0.100   7.060
  161    HE2  PHE  24           1HE      PHE  24  -1.981  -0.071   8.241
  162    HZ   PHE  24           HZ       PHE  24  -4.311   0.633   8.612
  163    H    CYS  25           H        CYS  25  -3.501   0.600   2.296
  164    HA   CYS  25           HA       CYS  25  -0.664   1.060   1.882
  165    HB2  CYS  25           1HB      CYS  25  -3.177   2.576   1.263
  166    HB3  CYS  25           2HB      CYS  25  -1.608   3.396   1.202
  167    H    GLY  26           H        GLY  26   0.636   1.938   3.347
  168    HA2  GLY  26           2HA      GLY  26  -0.432   3.881   5.252
  169    HA3  GLY  26           3HA      GLY  26   0.289   2.423   5.918
  170    H    SER  27           H        SER  27   1.806   3.838   6.978
  171    HA   SER  27           HA       SER  27   4.028   4.562   5.195
  172    HB2  SER  27           1HB      SER  27   2.674   6.584   5.930
  173    HB3  SER  27           2HB      SER  27   3.228   6.240   7.577
  174    HG   SER  27           HG       SER  27   4.511   7.575   5.698
  175    H    GLY  28           H        GLY  28   5.928   5.311   6.902
  176    HA2  GLY  28           2HA      GLY  28   7.402   4.624   8.535
  177    HA3  GLY  28           3HA      GLY  28   6.093   3.699   9.256
  178    H    ASP  29           H        ASP  29   8.768   2.813   9.082
  179    HA   ASP  29           HA       ASP  29   9.243   1.106   6.895
  180    HB2  ASP  29           1HB      ASP  29  10.308   1.291   9.696
  181    HB3  ASP  29           2HB      ASP  29  10.732  -0.100   8.687
  182    HD2  ASP  29           HD       ASP  29  12.170   2.408   6.384
  183    H    ALA  30           H        ALA  30   7.084   0.853   9.515
  184    HA   ALA  30           HA       ALA  30   6.956  -1.919   9.901
  185    HB1  ALA  30           1HB      ALA  30   5.446  -1.317  11.409
  186    HB2  ALA  30           2HB      ALA  30   5.559   0.341  10.815
  187    HB3  ALA  30           3HB      ALA  30   4.352  -0.755  10.144
  188    H    TYR  31           H        TYR  31   5.585   0.145   7.429
  189    HA   TYR  31           HA       TYR  31   4.419  -2.241   6.151
  190    HB2  TYR  31           1HB      TYR  31   3.504   0.642   5.972
  191    HB3  TYR  31           2HB      TYR  31   2.815  -0.696   5.050
  192    HD1  TYR  31           1HD      TYR  31   2.221  -2.819   6.687
  193    HD2  TYR  31           2HD      TYR  31   2.218   1.294   7.780
  194    HE1  TYR  31           1HE      TYR  31   0.653  -3.312   8.516
  195    HE2  TYR  31           2HE      TYR  31   0.652   0.811   9.613
  196    HH   TYR  31           HH       TYR  31  -0.811  -2.352   9.996
  197    H    CYS  32           H        CYS  32   6.649   0.324   5.907
  198    HA   CYS  32           HA       CYS  32   6.833   0.197   3.006
  199    HB2  CYS  32           1HB      CYS  32   8.120   1.861   5.144
  200    HB3  CYS  32           2HB      CYS  32   8.815   1.814   3.515
  201    H    GLY  33           H        GLY  33   8.371  -1.123   5.809
  202    HA2  GLY  33           2HA      GLY  33  10.903  -1.741   4.796
  203    HA3  GLY  33           3HA      GLY  33  10.072  -2.642   6.055
  204    H    ALA  34           H        ALA  34  11.738  -3.895   4.235
  205    HA   ALA  34           HA       ALA  34  10.185  -5.028   2.093
  206    HB1  ALA  34           1HB      ALA  34  12.122  -6.101   1.418
  207    HB2  ALA  34           2HB      ALA  34  12.742  -4.640   2.189
  208    HB3  ALA  34           3HB      ALA  34  12.774  -6.176   3.056
  209    H    GLY  35           H        GLY  35   8.604  -6.427   2.532
  210    HA2  GLY  35           2HA      GLY  35   8.849  -8.974   3.376
  211    HA3  GLY  35           3HA      GLY  35   8.701  -8.102   4.894
  212    H    SER  36           H        SER  36   6.939  -6.092   3.471
  213    HA   SER  36           HA       SER  36   4.537  -7.714   3.055
  214    HB2  SER  36           1HB      SER  36   4.673  -7.000   5.475
  215    HB3  SER  36           2HB      SER  36   4.556  -5.324   4.908
  216    HG   SER  36           HG       SER  36   2.488  -5.600   4.795
  217    H    CYS  37           H        CYS  37   6.499  -5.697   1.671
  218    HA   CYS  37           HA       CYS  37   4.601  -3.698   0.738
  219    HB2  CYS  37           1HB      CYS  37   7.049  -3.241   1.273
  220    HB3  CYS  37           2HB      CYS  37   7.427  -4.086  -0.238
  221    H    GLN  38           H        GLN  38   3.636  -3.679  -1.220
  222    HA   GLN  38           HA       GLN  38   4.381  -5.771  -3.148
  223    HB2  GLN  38           1HB      GLN  38   2.417  -6.591  -2.036
  224    HB3  GLN  38           2HB      GLN  38   1.599  -5.032  -2.231
  225    HG2  GLN  38           1HG      GLN  38   2.379  -5.940  -4.811
  226    HG3  GLN  38           2HG      GLN  38   1.577  -7.270  -3.966
  227   HE21  GLN  38          1HE2      GLN  38  -0.462  -6.552  -2.760
  228   HE22  GLN  38          2HE2      GLN  38  -1.536  -5.530  -3.646
  229    H    SER  39           H        SER  39   2.511  -2.781  -2.680
  230    HA   SER  39           HA       SER  39   3.344  -1.955  -5.382
  231    HB2  SER  39           1HB      SER  39   1.062  -2.338  -5.700
  232    HB3  SER  39           2HB      SER  39   0.648  -1.775  -4.070
  233    HG   SER  39           HG       SER  39   0.366  -0.363  -6.138
  234    H    GLN  40           H        GLN  40   3.472   0.373  -5.701
  235    HA   GLN  40           HA       GLN  40   4.389   2.381  -5.134
  236    HB2  GLN  40           1HB      GLN  40   2.515   2.008  -2.786
  237    HB3  GLN  40           2HB      GLN  40   3.306   3.533  -3.214
  238    HG2  GLN  40           1HG      GLN  40   1.318   2.016  -4.902
  239    HG3  GLN  40           2HG      GLN  40   1.022   3.512  -4.005
  240   HE21  GLN  40          1HE2      GLN  40   0.609   3.182  -6.769
  241   HE22  GLN  40          2HE2      GLN  40   1.691   4.239  -7.604
  242    H    CYS  41           H        CYS  41   6.056   0.310  -4.502
  243    HA   CYS  41           HA       CYS  41   6.975   0.527  -1.782
  244    HB2  CYS  41           1HB      CYS  41   8.011  -0.888  -4.232
  245    HB3  CYS  41           2HB      CYS  41   8.901  -0.888  -2.700
  246    H    ARG  42           H        ARG  42   7.115   2.978  -2.159
  247    HA   ARG  42           HA       ARG  42   9.880   3.667  -2.301
  248    HB2  ARG  42           1HB      ARG  42   9.109   3.544  -4.739
  249    HB3  ARG  42           2HB      ARG  42   8.150   4.988  -4.383
  250    HG2  ARG  42           1HG      ARG  42   9.975   6.350  -4.205
  251    HG3  ARG  42           2HG      ARG  42  11.039   5.028  -3.700
  252    HD2  ARG  42           1HD      ARG  42  11.696   5.675  -5.909
  253    HD3  ARG  42           2HD      ARG  42  10.883   4.107  -6.016
  254    HE   ARG  42           HE       ARG  42   9.103   6.312  -6.438
  255   HH11  ARG  42          1HH1      ARG  42  11.446   4.227  -7.949
  256   HH12  ARG  42          2HH1      ARG  42  10.799   4.439  -9.542
  257   HH21  ARG  42          1HH2      ARG  42   8.243   6.599  -8.531
  258   HH22  ARG  42          2HH2      ARG  42   8.978   5.789  -9.872
  259    H    GLY  43           H        GLY  43   7.460   3.884  -0.576
  260    HA2  GLY  43           2HA      GLY  43   6.694   6.627  -0.457
  261    HA3  GLY  43           3HA      GLY  43   6.409   5.415   0.784
  262    H    CYS  44           H        CYS  44   6.912   7.705   1.845
  263    HA   CYS  44           HA       CYS  44   9.784   8.036   2.257
  264    HB2  CYS  44           1HB      CYS  44   7.559   9.674   3.467
  265    HB3  CYS  44           2HB      CYS  44   9.263  10.126   3.292
  Start of MODEL    5
    1    H1   ALA   1           H        ALA   1  -5.867   5.977   8.032
    2    HA   ALA   1           HA       ALA   1  -3.831   4.883   6.240
    3    HB1  ALA   1           1HB      ALA   1  -4.127   3.562   8.175
    4    HB2  ALA   1           2HB      ALA   1  -5.884   3.594   8.020
    5    HB3  ALA   1           3HB      ALA   1  -4.913   2.685   6.862
    6    H    GLN   2           H        GLN   2  -4.351   3.747   4.346
    7    HA   GLN   2           HA       GLN   2  -7.100   4.013   3.363
    8    HB2  GLN   2           1HB      GLN   2  -6.116   4.648   1.105
    9    HB3  GLN   2           2HB      GLN   2  -6.081   5.894   2.363
   10    HG2  GLN   2           1HG      GLN   2  -3.671   4.318   2.450
   11    HG3  GLN   2           2HG      GLN   2  -3.943   4.966   0.826
   12   HE21  GLN   2          1HE2      GLN   2  -3.578   5.814   4.206
   13   HE22  GLN   2          2HE2      GLN   2  -3.092   7.450   3.940
   14    H    ARG   3           H        ARG   3  -7.738   2.462   1.853
   15    HA   ARG   3           HA       ARG   3  -6.038   0.081   1.809
   16    HB2  ARG   3           1HB      ARG   3  -8.954   0.409   1.059
   17    HB3  ARG   3           2HB      ARG   3  -8.071  -1.121   1.149
   18    HG2  ARG   3           1HG      ARG   3  -7.641  -0.044   3.641
   19    HG3  ARG   3           2HG      ARG   3  -9.301   0.448   3.268
   20    HD2  ARG   3           1HD      ARG   3  -8.213  -2.374   3.161
   21    HD3  ARG   3           2HD      ARG   3  -9.268  -1.704   4.413
   22    HE   ARG   3           HE       ARG   3 -10.374  -1.503   1.771
   23   HH11  ARG   3          1HH1      ARG   3  -9.980  -3.559   4.553
   24   HH12  ARG   3          2HH1      ARG   3 -11.382  -4.516   4.207
   25   HH21  ARG   3          1HH2      ARG   3 -12.223  -2.756   1.306
   26   HH22  ARG   3          2HH2      ARG   3 -12.657  -4.059   2.359
   27    H    CYS   4           H        CYS   4  -5.437  -0.960  -0.071
   28    HA   CYS   4           HA       CYS   4  -6.172   0.264  -2.625
   29    HB2  CYS   4           1HB      CYS   4  -3.726   0.073  -3.312
   30    HB3  CYS   4           2HB      CYS   4  -4.148   1.408  -2.228
   31    H    GLY   5           H        GLY   5  -4.714  -1.128  -4.372
   32    HA2  GLY   5           2HA      GLY   5  -4.532  -3.155  -5.434
   33    HA3  GLY   5           3HA      GLY   5  -4.330  -3.865  -3.838
   34    H    ASP   6           H        ASP   6  -5.545  -5.689  -4.358
   35    HA   ASP   6           HA       ASP   6  -8.083  -5.695  -5.525
   36    HB2  ASP   6           1HB      ASP   6  -6.554  -7.681  -5.113
   37    HB3  ASP   6           2HB      ASP   6  -7.147  -7.673  -3.446
   38    HD2  ASP   6           HD       ASP   6 -10.152  -9.100  -4.336
   39    H    GLN   7           H        GLN   7  -7.081  -4.771  -2.375
   40    HA   GLN   7           HA       GLN   7  -9.651  -5.141  -1.126
   41    HB2  GLN   7           1HB      GLN   7  -7.148  -3.694  -0.233
   42    HB3  GLN   7           2HB      GLN   7  -8.601  -3.873   0.762
   43    HG2  GLN   7           1HG      GLN   7  -7.124  -6.238  -0.367
   44    HG3  GLN   7           2HG      GLN   7  -6.713  -5.503   1.189
   45   HE21  GLN   7          1HE2      GLN   7  -7.638  -6.366   2.894
   46   HE22  GLN   7          2HE2      GLN   7  -9.125  -7.245   2.915
   47    H    ALA   8           H        ALA   8  -8.604  -3.033  -3.389
   48    HA   ALA   8           HA       ALA   8 -10.607  -1.046  -2.605
   49    HB1  ALA   8           1HB      ALA   8  -9.182   0.813  -3.093
   50    HB2  ALA   8           2HB      ALA   8  -8.356  -0.220  -1.926
   51    HB3  ALA   8           3HB      ALA   8  -7.885  -0.257  -3.625
   52    H    ARG   9           H        ARG   9 -10.712  -3.179  -4.518
   53    HA   ARG   9           HA       ARG   9 -11.355  -3.593  -6.660
   54    HB2  ARG   9           1HB      ARG   9 -12.901  -1.664  -5.982
   55    HB3  ARG   9           2HB      ARG   9 -11.836  -0.635  -6.954
   56    HG2  ARG   9           1HG      ARG   9 -13.131  -1.129  -8.689
   57    HG3  ARG   9           2HG      ARG   9 -12.403  -2.743  -8.640
   58    HD2  ARG   9           1HD      ARG   9 -14.504  -3.492  -8.383
   59    HD3  ARG   9           2HD      ARG   9 -14.326  -2.939  -6.711
   60    HE   ARG   9           HE       ARG   9 -15.185  -0.730  -8.069
   61   HH11  ARG   9          1HH1      ARG   9 -16.360  -3.979  -7.646
   62   HH12  ARG   9          2HH1      ARG   9 -18.027  -3.535  -7.797
   63   HH21  ARG   9          1HH2      ARG   9 -17.377  -0.132  -8.270
   64   HH22  ARG   9          2HH2      ARG   9 -18.605  -1.346  -8.153
   65    H    GLY  10           H        GLY  10  -8.559  -2.913  -6.104
   66    HA2  GLY  10           2HA      GLY  10  -6.673  -2.906  -7.455
   67    HA3  GLY  10           3HA      GLY  10  -7.708  -2.604  -8.844
   68    H    ALA  11           H        ALA  11  -7.904  -0.575  -6.029
   69    HA   ALA  11           HA       ALA  11  -7.230   1.740  -7.592
   70    HB1  ALA  11           1HB      ALA  11  -7.799   3.017  -5.638
   71    HB2  ALA  11           2HB      ALA  11  -9.002   1.744  -5.856
   72    HB3  ALA  11           3HB      ALA  11  -7.748   1.571  -4.628
   73    H    LYS  12           H        LYS  12  -5.423   2.998  -7.490
   74    HA   LYS  12           HA       LYS  12  -3.117   1.825  -6.115
   75    HB2  LYS  12           1HB      LYS  12  -3.304   3.861  -8.346
   76    HB3  LYS  12           2HB      LYS  12  -1.787   3.334  -7.602
   77    HG2  LYS  12           1HG      LYS  12  -3.158   0.987  -8.346
   78    HG3  LYS  12           2HG      LYS  12  -3.279   2.113  -9.710
   79    HD2  LYS  12           1HD      LYS  12  -0.775   2.486  -9.454
   80    HD3  LYS  12           2HD      LYS  12  -0.787   1.086  -8.369
   81    HE2  LYS  12           1HE      LYS  12  -0.184   0.327 -10.572
   82    HE3  LYS  12           2HE      LYS  12  -1.812  -0.257 -10.192
   83    HZ1  LYS  12           3HZ      LYS  12  -1.777   2.301 -11.516
   84    HZ2  LYS  12           1HZ      LYS  12  -2.701   0.923 -11.848
   85    HZ3  LYS  12           2HZ      LYS  12  -1.125   1.049 -12.448
   86    H    CYS  13           H        CYS  13  -1.582   3.239  -5.043
   87    HA   CYS  13           HA       CYS  13  -2.940   5.485  -3.722
   88    HB2  CYS  13           1HB      CYS  13  -0.782   3.585  -2.871
   89    HB3  CYS  13           2HB      CYS  13  -0.953   5.152  -2.063
   90    HA   PRO  14           HA       PRO  14  -0.186   8.468  -5.382
   91    HB2  PRO  14           1HB      PRO  14   0.157  10.174  -3.267
   92    HB3  PRO  14           2HB      PRO  14  -1.342  10.052  -4.185
   93    HG2  PRO  14           1HG      PRO  14  -0.598   8.762  -1.582
   94    HG3  PRO  14           2HG      PRO  14  -2.126   9.601  -2.043
   95    HD2  PRO  14           1HD      PRO  14  -1.899   6.897  -1.987
   96    HD3  PRO  14           2HD      PRO  14  -2.924   7.747  -3.156
   97    H    ASN  15           H        ASN  15   1.879   9.817  -4.609
   98    HA   ASN  15           HA       ASN  15   3.911   7.839  -4.114
   99    HB2  ASN  15           1HB      ASN  15   4.270  10.834  -4.368
  100    HB3  ASN  15           2HB      ASN  15   5.490   9.579  -4.620
  101   HD21  ASN  15          1HD2      ASN  15   3.749  11.714  -6.231
  102   HD22  ASN  15          2HD2      ASN  15   3.510  10.886  -7.729
  103    H    CYS  16           H        CYS  16   5.764   8.498  -2.587
  104    HA   CYS  16           HA       CYS  16   6.523   8.838  -0.469
  105    HB2  CYS  16           1HB      CYS  16   5.511  11.138  -0.969
  106    HB3  CYS  16           2HB      CYS  16   4.145  10.618   0.031
  107    H    LEU  17           H        LEU  17   4.097   7.018  -1.227
  108    HA   LEU  17           HA       LEU  17   3.554   6.214   1.547
  109    HB2  LEU  17           1HB      LEU  17   1.643   7.473   0.360
  110    HB3  LEU  17           2HB      LEU  17   1.470   5.992  -0.598
  111    HG   LEU  17           HG       LEU  17   1.140   4.757   1.578
  112   HD11  LEU  17          1HD1      LEU  17   2.090   6.341   3.112
  113   HD12  LEU  17          2HD1      LEU  17   0.378   6.144   3.485
  114   HD13  LEU  17          3HD1      LEU  17   0.932   7.577   2.619
  115   HD21  LEU  17          3HD2      LEU  17  -1.187   5.329   1.719
  116   HD22  LEU  17          1HD2      LEU  17  -0.687   5.419   0.030
  117   HD23  LEU  17          2HD2      LEU  17  -0.894   6.898   0.970
  118    H    CYS  18           H        CYS  18   2.900   3.951   1.762
  119    HA   CYS  18           HA       CYS  18   3.953   2.280  -0.424
  120    HB2  CYS  18           1HB      CYS  18   4.137   1.759   2.549
  121    HB3  CYS  18           2HB      CYS  18   4.773   0.709   1.271
  122    H    CYS  19           H        CYS  19   2.743   0.589  -1.082
  123    HA   CYS  19           HA       CYS  19   0.131   0.250   0.211
  124    HB2  CYS  19           1HB      CYS  19   0.183   0.854  -2.188
  125    HB3  CYS  19           2HB      CYS  19   1.032  -0.663  -2.529
  126    H    GLY  20           H        GLY  20   0.100  -1.338   1.667
  127    HA2  GLY  20           2HA      GLY  20   1.935  -3.496   1.714
  128    HA3  GLY  20           3HA      GLY  20   0.475  -3.365   2.682
  129    H    LYS  21           H        LYS  21   1.822  -5.555   1.003
  130    HA   LYS  21           HA       LYS  21   0.423  -6.283  -1.219
  131    HB2  LYS  21           1HB      LYS  21   2.321  -7.535  -0.150
  132    HB3  LYS  21           2HB      LYS  21   1.148  -8.208   0.994
  133    HG2  LYS  21           1HG      LYS  21   0.168  -8.605  -1.660
  134    HG3  LYS  21           2HG      LYS  21   1.846  -9.170  -1.563
  135    HD2  LYS  21           1HD      LYS  21   1.220 -10.451   0.501
  136    HD3  LYS  21           2HD      LYS  21  -0.466 -10.010   0.181
  137    HE2  LYS  21           1HE      LYS  21  -0.546 -11.257  -1.814
  138    HE3  LYS  21           2HE      LYS  21   1.217 -11.367  -1.900
  139    HZ1  LYS  21           3HZ      LYS  21  -0.524 -13.209  -0.792
  140    HZ2  LYS  21           1HZ      LYS  21   0.297 -12.514   0.514
  141    HZ3  LYS  21           2HZ      LYS  21   1.167 -13.238  -0.742
  142    H    TYR  22           H        TYR  22  -0.686  -6.330   2.091
  143    HA   TYR  22           HA       TYR  22  -3.078  -7.833   1.477
  144    HB2  TYR  22           1HB      TYR  22  -2.288  -6.322   3.982
  145    HB3  TYR  22           2HB      TYR  22  -3.673  -7.407   3.833
  146    HD1  TYR  22           1HD      TYR  22  -2.593  -9.686   2.368
  147    HD2  TYR  22           2HD      TYR  22  -0.819  -7.369   5.464
  148    HE1  TYR  22           1HE      TYR  22  -1.191 -11.608   2.994
  149    HE2  TYR  22           2HE      TYR  22   0.589  -9.283   6.098
  150    HH   TYR  22           HH       TYR  22   0.310 -12.403   4.426
  151    H    GLY  23           H        GLY  23  -2.774  -5.506  -0.106
  152    HA2  GLY  23           2HA      GLY  23  -3.877  -3.592  -0.759
  153    HA3  GLY  23           3HA      GLY  23  -5.291  -4.435  -0.143
  154    H    PHE  24           H        PHE  24  -2.491  -3.150   1.615
  155    HA   PHE  24           HA       PHE  24  -4.288  -1.235   2.939
  156    HB2  PHE  24           1HB      PHE  24  -3.764  -3.345   4.303
  157    HB3  PHE  24           2HB      PHE  24  -2.118  -2.716   4.418
  158    HD1  PHE  24           2HD      PHE  24  -5.643  -1.721   5.079
  159    HD2  PHE  24           1HD      PHE  24  -1.541  -1.273   6.125
  160    HE1  PHE  24           2HE      PHE  24  -6.289  -0.329   7.002
  161    HE2  PHE  24           1HE      PHE  24  -2.181   0.120   8.051
  162    HZ   PHE  24           HZ       PHE  24  -4.557   0.594   8.490
  163    H    CYS  25           H        CYS  25  -3.573   0.665   2.188
  164    HA   CYS  25           HA       CYS  25  -0.735   1.130   1.784
  165    HB2  CYS  25           1HB      CYS  25  -3.249   2.648   1.172
  166    HB3  CYS  25           2HB      CYS  25  -1.680   3.471   1.120
  167    H    GLY  26           H        GLY  26   0.560   1.998   3.260
  168    HA2  GLY  26           2HA      GLY  26  -0.514   3.925   5.177
  169    HA3  GLY  26           3HA      GLY  26   0.208   2.464   5.834
  170    H    SER  27           H        SER  27   1.725   3.864   6.908
  171    HA   SER  27           HA       SER  27   3.949   4.604   5.136
  172    HB2  SER  27           1HB      SER  27   2.591   6.622   5.883
  173    HB3  SER  27           2HB      SER  27   3.143   6.265   7.529
  174    HG   SER  27           HG       SER  27   4.660   7.069   5.293
  175    H    GLY  28           H        GLY  28   5.844   5.341   6.851
  176    HA2  GLY  28           2HA      GLY  28   7.312   4.646   8.488
  177    HA3  GLY  28           3HA      GLY  28   6.004   3.709   9.193
  178    H    ASP  29           H        ASP  29   8.682   2.835   9.021
  179    HA   ASP  29           HA       ASP  29   9.169   1.149   6.819
  180    HB2  ASP  29           1HB      ASP  29  10.369   1.687   9.416
  181    HB3  ASP  29           2HB      ASP  29  10.457  -0.029   8.995
  182    HD2  ASP  29           HD       ASP  29  12.496   2.532   6.754
  183    H    ALA  30           H        ALA  30   7.009   0.866   9.435
  184    HA   ALA  30           HA       ALA  30   6.892  -1.912   9.795
  185    HB1  ALA  30           1HB      ALA  30   4.294  -0.657  10.020
  186    HB2  ALA  30           2HB      ALA  30   5.306  -1.391  11.266
  187    HB3  ALA  30           3HB      ALA  30   5.552   0.294  10.809
  188    H    TYR  31           H        TYR  31   5.517   0.172   7.342
  189    HA   TYR  31           HA       TYR  31   4.352  -2.204   6.044
  190    HB2  TYR  31           1HB      TYR  31   3.435   0.680   5.892
  191    HB3  TYR  31           2HB      TYR  31   2.749  -0.647   4.954
  192    HD1  TYR  31           1HD      TYR  31   2.045  -2.760   6.478
  193    HD2  TYR  31           2HD      TYR  31   2.255   1.281   7.792
  194    HE1  TYR  31           1HE      TYR  31   0.473  -3.277   8.297
  195    HE2  TYR  31           2HE      TYR  31   0.684   0.776   9.616
  196    HH   TYR  31           HH       TYR  31  -0.930  -2.327   9.844
  197    H    CYS  32           H        CYS  32   6.580   0.364   5.821
  198    HA   CYS  32           HA       CYS  32   6.765   0.260   2.919
  199    HB2  CYS  32           1HB      CYS  32   8.050   1.909   5.071
  200    HB3  CYS  32           2HB      CYS  32   8.747   1.874   3.442
  201    H    GLY  33           H        GLY  33   8.304  -1.080   5.713
  202    HA2  GLY  33           2HA      GLY  33  10.837  -1.687   4.695
  203    HA3  GLY  33           3HA      GLY  33  10.007  -2.599   5.948
  204    H    ALA  34           H        ALA  34  11.673  -3.840   4.124
  205    HA   ALA  34           HA       ALA  34  10.123  -4.958   1.971
  206    HB1  ALA  34           1HB      ALA  34  12.091  -5.629   1.162
  207    HB2  ALA  34           2HB      ALA  34  12.815  -4.679   2.459
  208    HB3  ALA  34           3HB      ALA  34  12.545  -6.408   2.678
  209    H    GLY  35           H        GLY  35   8.548  -6.368   2.384
  210    HA2  GLY  35           2HA      GLY  35   8.785  -8.917   3.216
  211    HA3  GLY  35           3HA      GLY  35   8.634  -8.054   4.740
  212    H    SER  36           H        SER  36   6.876  -6.034   3.331
  213    HA   SER  36           HA       SER  36   4.475  -7.652   2.892
  214    HB2  SER  36           1HB      SER  36   4.602  -6.962   5.319
  215    HB3  SER  36           2HB      SER  36   4.491  -5.281   4.771
  216    HG   SER  36           HG       SER  36   2.467  -5.707   3.922
  217    H    CYS  37           H        CYS  37   6.440  -5.623   1.532
  218    HA   CYS  37           HA       CYS  37   4.547  -3.613   0.615
  219    HB2  CYS  37           1HB      CYS  37   6.995  -3.165   1.159
  220    HB3  CYS  37           2HB      CYS  37   7.375  -3.995  -0.358
  221    H    GLN  38           H        GLN  38   3.579  -3.578  -1.340
  222    HA   GLN  38           HA       GLN  38   4.324  -5.655  -3.285
  223    HB2  GLN  38           1HB      GLN  38   2.349  -6.468  -2.181
  224    HB3  GLN  38           2HB      GLN  38   1.543  -4.903  -2.381
  225    HG2  GLN  38           1HG      GLN  38   2.328  -5.800  -4.957
  226    HG3  GLN  38           2HG      GLN  38   1.533  -7.142  -4.123
  227   HE21  GLN  38          1HE2      GLN  38  -0.516  -6.445  -2.918
  228   HE22  GLN  38          2HE2      GLN  38  -1.592  -5.423  -3.801
  229    H    SER  39           H        SER  39   2.455  -2.666  -2.809
  230    HA   SER  39           HA       SER  39   3.309  -1.821  -5.498
  231    HB2  SER  39           1HB      SER  39   1.027  -2.191  -5.829
  232    HB3  SER  39           2HB      SER  39   0.608  -1.639  -4.197
  233    HG   SER  39           HG       SER  39   1.364  -0.075  -6.429
  234    H    GLN  40           H        GLN  40   3.476   0.500  -5.799
  235    HA   GLN  40           HA       GLN  40   4.395   2.500  -5.212
  236    HB2  GLN  40           1HB      GLN  40   2.304   2.038  -3.106
  237    HB3  GLN  40           2HB      GLN  40   3.329   3.480  -3.048
  238    HG2  GLN  40           1HG      GLN  40   1.640   4.363  -4.251
  239    HG3  GLN  40           2HG      GLN  40   2.547   3.644  -5.588
  240   HE21  GLN  40          1HE2      GLN  40   1.007   3.067  -6.979
  241   HE22  GLN  40          2HE2      GLN  40  -0.319   2.019  -6.618
  242    H    CYS  41           H        CYS  41   6.068   0.452  -4.598
  243    HA   CYS  41           HA       CYS  41   6.951   0.629  -1.860
  244    HB2  CYS  41           1HB      CYS  41   8.007  -0.769  -4.311
  245    HB3  CYS  41           2HB      CYS  41   8.880  -0.785  -2.769
  246    H    ARG  42           H        ARG  42   7.095   3.089  -2.237
  247    HA   ARG  42           HA       ARG  42   9.865   3.770  -2.332
  248    HB2  ARG  42           1HB      ARG  42   9.138   3.652  -4.783
  249    HB3  ARG  42           2HB      ARG  42   8.170   5.094  -4.441
  250    HG2  ARG  42           1HG      ARG  42   9.936   6.448  -4.533
  251    HG3  ARG  42           2HG      ARG  42  10.921   5.357  -3.543
  252    HD2  ARG  42           1HD      ARG  42  11.948   4.476  -5.329
  253    HD3  ARG  42           2HD      ARG  42  10.419   4.290  -6.198
  254    HE   ARG  42           HE       ARG  42  11.064   6.997  -6.226
  255   HH11  ARG  42          1HH1      ARG  42  12.323   3.994  -7.457
  256   HH12  ARG  42          2HH1      ARG  42  13.064   4.723  -8.843
  257   HH21  ARG  42          1HH2      ARG  42  12.035   7.968  -8.047
  258   HH22  ARG  42          2HH2      ARG  42  12.901   6.982  -9.178
  259    H    GLY  43           H        GLY  43   7.417   3.991  -0.647
  260    HA2  GLY  43           2HA      GLY  43   6.658   6.738  -0.537
  261    HA3  GLY  43           3HA      GLY  43   6.346   5.525   0.696
  262    H    CYS  44           H        CYS  44   6.826   7.764   1.818
  263    HA   CYS  44           HA       CYS  44   9.695   8.103   2.265
  264    HB2  CYS  44           1HB      CYS  44   7.457   9.736   3.456
  265    HB3  CYS  44           2HB      CYS  44   9.164  10.187   3.299
  Start of MODEL    6
    1    H1   ALA   1           H        ALA   1  -4.804   6.958   6.554
    2    HA   ALA   1           HA       ALA   1  -3.768   4.523   6.395
    3    HB1  ALA   1           1HB      ALA   1  -5.985   3.270   7.455
    4    HB2  ALA   1           2HB      ALA   1  -4.386   3.357   8.194
    5    HB3  ALA   1           3HB      ALA   1  -5.625   4.534   8.632
    6    H    GLN   2           H        GLN   2  -4.304   3.804   4.439
    7    HA   GLN   2           HA       GLN   2  -7.060   4.139   3.494
    8    HB2  GLN   2           1HB      GLN   2  -6.070   4.770   1.226
    9    HB3  GLN   2           2HB      GLN   2  -6.036   6.007   2.492
   10    HG2  GLN   2           1HG      GLN   2  -3.639   4.336   2.444
   11    HG3  GLN   2           2HG      GLN   2  -3.913   5.242   0.949
   12   HE21  GLN   2          1HE2      GLN   2  -4.102   7.538   1.073
   13   HE22  GLN   2          2HE2      GLN   2  -3.345   8.406   2.362
   14    H    ARG   3           H        ARG   3  -7.748   2.622   1.974
   15    HA   ARG   3           HA       ARG   3  -6.099   0.206   1.879
   16    HB2  ARG   3           1HB      ARG   3  -9.016   0.607   1.173
   17    HB3  ARG   3           2HB      ARG   3  -8.164  -0.944   1.228
   18    HG2  ARG   3           1HG      ARG   3  -7.909  -0.843   3.582
   19    HG3  ARG   3           2HG      ARG   3  -8.431   0.850   3.623
   20    HD2  ARG   3           1HD      ARG   3 -10.423  -0.059   4.203
   21    HD3  ARG   3           2HD      ARG   3 -10.582  -0.259   2.453
   22    HE   ARG   3           HE       ARG   3  -9.328  -2.538   3.288
   23   HH11  ARG   3          1HH1      ARG   3 -12.293  -0.908   4.105
   24   HH12  ARG   3          2HH1      ARG   3 -13.133  -2.365   4.521
   25   HH21  ARG   3          1HH2      ARG   3 -10.422  -4.464   3.832
   26   HH22  ARG   3          2HH2      ARG   3 -12.067  -4.388   4.366
   27    H    CYS   4           H        CYS   4  -5.542  -0.821  -0.021
   28    HA   CYS   4           HA       CYS   4  -6.282   0.449  -2.551
   29    HB2  CYS   4           1HB      CYS   4  -3.850   0.216  -3.269
   30    HB3  CYS   4           2HB      CYS   4  -4.232   1.548  -2.165
   31    H    GLY   5           H        GLY   5  -4.877  -0.949  -4.333
   32    HA2  GLY   5           2HA      GLY   5  -4.745  -2.967  -5.421
   33    HA3  GLY   5           3HA      GLY   5  -4.542  -3.700  -3.838
   34    H    ASP   6           H        ASP   6  -5.801  -5.493  -4.364
   35    HA   ASP   6           HA       ASP   6  -8.350  -5.432  -5.504
   36    HB2  ASP   6           1HB      ASP   6  -6.718  -7.423  -4.918
   37    HB3  ASP   6           2HB      ASP   6  -7.686  -7.489  -3.438
   38    HD2  ASP   6           HD       ASP   6 -10.539  -8.016  -5.744
   39    H    GLN   7           H        GLN   7  -7.296  -4.566  -2.356
   40    HA   GLN   7           HA       GLN   7  -9.860  -4.898  -1.083
   41    HB2  GLN   7           1HB      GLN   7  -7.322  -3.510  -0.196
   42    HB3  GLN   7           2HB      GLN   7  -8.767  -3.683   0.811
   43    HG2  GLN   7           1HG      GLN   7  -7.040  -5.909  -0.268
   44    HG3  GLN   7           2HG      GLN   7  -7.160  -5.365   1.411
   45   HE21  GLN   7          1HE2      GLN   7  -8.292  -7.533  -0.860
   46   HE22  GLN   7          2HE2      GLN   7  -9.670  -8.122  -0.001
   47    H    ALA   8           H        ALA   8  -8.792  -2.785  -3.332
   48    HA   ALA   8           HA       ALA   8 -10.744  -0.764  -2.500
   49    HB1  ALA   8           1HB      ALA   8  -7.986  -0.063  -3.497
   50    HB2  ALA   8           2HB      ALA   8  -9.265   1.066  -3.048
   51    HB3  ALA   8           3HB      ALA   8  -8.516   0.045  -1.819
   52    H    ARG   9           H        ARG   9 -10.914  -2.873  -4.439
   53    HA   ARG   9           HA       ARG   9 -11.591  -3.246  -6.578
   54    HB2  ARG   9           1HB      ARG   9 -13.087  -1.292  -5.860
   55    HB3  ARG   9           2HB      ARG   9 -12.011  -0.275  -6.830
   56    HG2  ARG   9           1HG      ARG   9 -13.474  -0.702  -8.475
   57    HG3  ARG   9           2HG      ARG   9 -12.578  -2.224  -8.611
   58    HD2  ARG   9           1HD      ARG   9 -14.776  -2.142  -6.614
   59    HD3  ARG   9           2HD      ARG   9 -15.235  -2.120  -8.323
   60    HE   ARG   9           HE       ARG   9 -13.337  -4.163  -7.847
   61   HH11  ARG   9          1HH1      ARG   9 -16.683  -3.354  -7.325
   62   HH12  ARG   9          2HH1      ARG   9 -17.213  -5.004  -7.299
   63   HH21  ARG   9          1HH2      ARG   9 -14.022  -6.338  -7.813
   64   HH22  ARG   9          2HH2      ARG   9 -15.698  -6.701  -7.575
   65    H    GLY  10           H        GLY  10  -8.776  -2.635  -6.046
   66    HA2  GLY  10           2HA      GLY  10  -6.905  -2.652  -7.418
   67    HA3  GLY  10           3HA      GLY  10  -7.947  -2.310  -8.790
   68    H    ALA  11           H        ALA  11  -8.071  -0.312  -5.951
   69    HA   ALA  11           HA       ALA  11  -7.359   2.006  -7.494
   70    HB1  ALA  11           1HB      ALA  11  -7.885   3.273  -5.521
   71    HB2  ALA  11           2HB      ALA  11  -9.117   2.029  -5.744
   72    HB3  ALA  11           3HB      ALA  11  -7.857   1.815  -4.528
   73    H    LYS  12           H        LYS  12  -5.518   3.209  -7.407
   74    HA   LYS  12           HA       LYS  12  -3.231   1.974  -6.055
   75    HB2  LYS  12           1HB      LYS  12  -3.435   3.982  -8.304
   76    HB3  LYS  12           2HB      LYS  12  -1.901   3.543  -7.535
   77    HG2  LYS  12           1HG      LYS  12  -2.718   1.090  -8.122
   78    HG3  LYS  12           2HG      LYS  12  -3.624   1.970  -9.367
   79    HD2  LYS  12           1HD      LYS  12  -1.172   3.136  -9.593
   80    HD3  LYS  12           2HD      LYS  12  -0.734   1.484  -9.124
   81    HE2  LYS  12           1HE      LYS  12  -2.590   2.193 -11.409
   82    HE3  LYS  12           2HE      LYS  12  -0.871   1.807 -11.578
   83    HZ1  LYS  12           3HZ      LYS  12  -1.705  -0.248 -11.911
   84    HZ2  LYS  12           1HZ      LYS  12  -3.121   0.043 -11.032
   85    HZ3  LYS  12           2HZ      LYS  12  -1.679  -0.315 -10.222
   86    H    CYS  13           H        CYS  13  -1.651   3.346  -4.990
   87    HA   CYS  13           HA       CYS  13  -2.950   5.607  -3.630
   88    HB2  CYS  13           1HB      CYS  13  -0.822   3.653  -2.822
   89    HB3  CYS  13           2HB      CYS  13  -0.951   5.216  -1.999
   90    HA   PRO  14           HA       PRO  14  -0.153   8.550  -5.292
   91    HB2  PRO  14           1HB      PRO  14   0.249  10.226  -3.162
   92    HB3  PRO  14           2HB      PRO  14  -1.262  10.145  -4.065
   93    HG2  PRO  14           1HG      PRO  14  -0.516   8.812  -1.483
   94    HG3  PRO  14           2HG      PRO  14  -2.031   9.687  -1.919
   95    HD2  PRO  14           1HD      PRO  14  -1.859   6.978  -1.893
   96    HD3  PRO  14           2HD      PRO  14  -2.879   7.861  -3.041
   97    H    ASN  15           H        ASN  15   1.946   9.849  -4.527
   98    HA   ASN  15           HA       ASN  15   3.943   7.826  -4.077
   99    HB2  ASN  15           1HB      ASN  15   4.072  10.798  -4.607
  100    HB3  ASN  15           2HB      ASN  15   5.515   9.831  -4.283
  101   HD21  ASN  15          1HD2      ASN  15   5.764   7.865  -5.674
  102   HD22  ASN  15          2HD2      ASN  15   5.365   8.032  -7.347
  103    H    CYS  16           H        CYS  16   5.826   8.425  -2.563
  104    HA   CYS  16           HA       CYS  16   6.615   8.725  -0.451
  105    HB2  CYS  16           1HB      CYS  16   5.648  11.049  -0.912
  106    HB3  CYS  16           2HB      CYS  16   4.281  10.548   0.097
  107    H    LEU  17           H        LEU  17   4.142   6.967  -1.202
  108    HA   LEU  17           HA       LEU  17   3.614   6.141   1.568
  109    HB2  LEU  17           1HB      LEU  17   1.715   7.452   0.418
  110    HB3  LEU  17           2HB      LEU  17   1.503   5.987  -0.556
  111    HG   LEU  17           HG       LEU  17   1.168   4.732   1.608
  112   HD11  LEU  17          1HD1      LEU  17   2.228   6.531   3.007
  113   HD12  LEU  17          2HD1      LEU  17   0.684   5.921   3.601
  114   HD13  LEU  17          3HD1      LEU  17   0.758   7.476   2.773
  115   HD21  LEU  17          3HD2      LEU  17  -0.805   6.928   0.991
  116   HD22  LEU  17          1HD2      LEU  17  -1.149   5.410   1.819
  117   HD23  LEU  17          2HD2      LEU  17  -0.675   5.400   0.120
  118    H    CYS  18           H        CYS  18   2.915   3.890   1.764
  119    HA   CYS  18           HA       CYS  18   3.907   2.221  -0.454
  120    HB2  CYS  18           1HB      CYS  18   4.117   1.662   2.511
  121    HB3  CYS  18           2HB      CYS  18   4.714   0.614   1.214
  122    H    CYS  19           H        CYS  19   2.654   0.565  -1.116
  123    HA   CYS  19           HA       CYS  19   0.050   0.264   0.206
  124    HB2  CYS  19           1HB      CYS  19   0.086   0.897  -2.188
  125    HB3  CYS  19           2HB      CYS  19   0.898  -0.636  -2.555
  126    H    GLY  20           H        GLY  20   0.004  -1.340   1.642
  127    HA2  GLY  20           2HA      GLY  20   1.794  -3.537   1.643
  128    HA3  GLY  20           3HA      GLY  20   0.349  -3.385   2.631
  129    H    LYS  21           H        LYS  21   1.630  -5.583   0.909
  130    HA   LYS  21           HA       LYS  21   0.188  -6.255  -1.303
  131    HB2  LYS  21           1HB      LYS  21   2.072  -7.557  -0.264
  132    HB3  LYS  21           2HB      LYS  21   0.893  -8.227   0.875
  133    HG2  LYS  21           1HG      LYS  21  -0.038  -9.604  -0.659
  134    HG3  LYS  21           2HG      LYS  21   0.234  -8.470  -1.994
  135    HD2  LYS  21           1HD      LYS  21   1.754 -10.094  -2.547
  136    HD3  LYS  21           2HD      LYS  21   2.765  -9.049  -1.533
  137    HE2  LYS  21           1HE      LYS  21   1.994 -10.551   0.426
  138    HE3  LYS  21           2HE      LYS  21   1.496 -11.678  -0.844
  139    HZ1  LYS  21           3HZ      LYS  21   3.957 -11.578   0.233
  140    HZ2  LYS  21           1HZ      LYS  21   4.172 -10.650  -1.167
  141    HZ3  LYS  21           2HZ      LYS  21   3.601 -12.237  -1.284
  142    H    TYR  22           H        TYR  22  -0.881  -6.318   2.019
  143    HA   TYR  22           HA       TYR  22  -3.311  -7.764   1.418
  144    HB2  TYR  22           1HB      TYR  22  -2.627  -6.246   3.946
  145    HB3  TYR  22           2HB      TYR  22  -3.835  -7.520   3.755
  146    HD1  TYR  22           2HD      TYR  22  -2.792  -9.798   2.729
  147    HD2  TYR  22           1HD      TYR  22  -0.661  -6.886   4.985
  148    HE1  TYR  22           2HE      TYR  22  -1.136 -11.504   3.356
  149    HE2  TYR  22           1HE      TYR  22   1.002  -8.584   5.617
  150    HH   TYR  22           HH       TYR  22   0.721 -11.485   5.722
  151    H    GLY  23           H        GLY  23  -2.977  -5.426  -0.142
  152    HA2  GLY  23           2HA      GLY  23  -4.047  -3.481  -0.759
  153    HA3  GLY  23           3HA      GLY  23  -5.472  -4.301  -0.136
  154    H    PHE  24           H        PHE  24  -2.625  -3.097   1.603
  155    HA   PHE  24           HA       PHE  24  -4.365  -1.159   2.970
  156    HB2  PHE  24           1HB      PHE  24  -3.952  -3.230   4.349
  157    HB3  PHE  24           2HB      PHE  24  -2.240  -2.802   4.356
  158    HD1  PHE  24           1HD      PHE  24  -1.488  -0.687   5.433
  159    HD2  PHE  24           2HD      PHE  24  -5.466  -2.149   5.817
  160    HE1  PHE  24           1HE      PHE  24  -1.830   0.770   7.387
  161    HE2  PHE  24           2HE      PHE  24  -5.816  -0.694   7.770
  162    HZ   PHE  24           HZ       PHE  24  -3.997   0.768   8.557
  163    H    CYS  25           H        CYS  25  -3.618   0.734   2.234
  164    HA   CYS  25           HA       CYS  25  -0.777   1.144   1.799
  165    HB2  CYS  25           1HB      CYS  25  -3.264   2.721   1.237
  166    HB3  CYS  25           2HB      CYS  25  -1.679   3.511   1.175
  167    H    GLY  26           H        GLY  26   0.554   1.967   3.269
  168    HA2  GLY  26           2HA      GLY  26  -0.456   3.893   5.222
  169    HA3  GLY  26           3HA      GLY  26   0.243   2.408   5.852
  170    H    SER  27           H        SER  27   1.802   3.765   6.923
  171    HA   SER  27           HA       SER  27   4.020   4.481   5.133
  172    HB2  SER  27           1HB      SER  27   2.712   6.516   5.920
  173    HB3  SER  27           2HB      SER  27   3.277   6.129   7.554
  174    HG   SER  27           HG       SER  27   4.599   7.363   5.553
  175    H    GLY  28           H        GLY  28   5.950   5.159   6.835
  176    HA2  GLY  28           2HA      GLY  28   7.422   4.414   8.445
  177    HA3  GLY  28           3HA      GLY  28   6.104   3.495   9.155
  178    H    ASP  29           H        ASP  29   8.761   2.570   8.941
  179    HA   ASP  29           HA       ASP  29   9.188   0.902   6.713
  180    HB2  ASP  29           1HB      ASP  29  10.961  -0.091   7.959
  181    HB3  ASP  29           2HB      ASP  29  10.913   1.617   8.417
  182    HD2  ASP  29           HD       ASP  29  10.566  -1.002  11.230
  183    H    ALA  30           H        ALA  30   7.052   0.629   9.350
  184    HA   ALA  30           HA       ALA  30   6.886  -2.149   9.677
  185    HB1  ALA  30           1HB      ALA  30   5.224   0.175  10.354
  186    HB2  ALA  30           2HB      ALA  30   4.347  -1.346  10.185
  187    HB3  ALA  30           3HB      ALA  30   5.682  -1.220  11.331
  188    H    TYR  31           H        TYR  31   5.524  -0.006   7.269
  189    HA   TYR  31           HA       TYR  31   4.288  -2.339   5.958
  190    HB2  TYR  31           1HB      TYR  31   3.437   0.567   5.852
  191    HB3  TYR  31           2HB      TYR  31   2.709  -0.733   4.907
  192    HD1  TYR  31           1HD      TYR  31   2.024  -2.862   6.456
  193    HD2  TYR  31           2HD      TYR  31   2.247   1.190   7.734
  194    HE1  TYR  31           1HE      TYR  31   0.463  -3.361   8.290
  195    HE2  TYR  31           2HE      TYR  31   0.689   0.702   9.574
  196    HH   TYR  31           HH       TYR  31  -1.063  -2.247   9.763
  197    H    CYS  32           H        CYS  32   6.571   0.184   5.736
  198    HA   CYS  32           HA       CYS  32   6.717   0.106   2.831
  199    HB2  CYS  32           1HB      CYS  32   8.064   1.704   4.983
  200    HB3  CYS  32           2HB      CYS  32   8.740   1.672   3.347
  201    H    GLY  33           H        GLY  33   8.261  -1.296   5.591
  202    HA2  GLY  33           2HA      GLY  33  10.769  -1.946   4.536
  203    HA3  GLY  33           3HA      GLY  33   9.934  -2.854   5.789
  204    H    ALA  34           H        ALA  34  11.552  -4.108   3.931
  205    HA   ALA  34           HA       ALA  34   9.952  -5.169   1.786
  206    HB1  ALA  34           1HB      ALA  34  12.204  -5.051   1.234
  207    HB2  ALA  34           2HB      ALA  34  12.723  -5.691   2.793
  208    HB3  ALA  34           3HB      ALA  34  11.977  -6.760   1.605
  209    H    GLY  35           H        GLY  35   8.352  -6.549   2.207
  210    HA2  GLY  35           2HA      GLY  35   8.549  -9.113   3.007
  211    HA3  GLY  35           3HA      GLY  35   8.432  -8.264   4.541
  212    H    SER  36           H        SER  36   6.699  -6.193   3.176
  213    HA   SER  36           HA       SER  36   4.261  -7.757   2.748
  214    HB2  SER  36           1HB      SER  36   4.267  -7.208   5.137
  215    HB3  SER  36           2HB      SER  36   4.499  -5.494   4.746
  216    HG   SER  36           HG       SER  36   2.212  -6.992   4.715
  217    H    CYS  37           H        CYS  37   6.251  -5.752   1.388
  218    HA   CYS  37           HA       CYS  37   4.388  -3.693   0.516
  219    HB2  CYS  37           1HB      CYS  37   6.849  -3.297   1.036
  220    HB3  CYS  37           2HB      CYS  37   7.198  -4.123  -0.492
  221    H    GLN  38           H        GLN  38   3.401  -3.616  -1.428
  222    HA   GLN  38           HA       GLN  38   4.079  -5.685  -3.405
  223    HB2  GLN  38           1HB      GLN  38   2.101  -6.468  -2.288
  224    HB3  GLN  38           2HB      GLN  38   1.325  -4.885  -2.459
  225    HG2  GLN  38           1HG      GLN  38   2.063  -5.769  -5.056
  226    HG3  GLN  38           2HG      GLN  38   1.243  -7.100  -4.227
  227   HE21  GLN  38          1HE2      GLN  38  -0.774  -6.366  -2.993
  228   HE22  GLN  38          2HE2      GLN  38  -1.835  -5.307  -3.852
  229    H    SER  39           H        SER  39   2.275  -2.664  -2.876
  230    HA   SER  39           HA       SER  39   3.119  -1.807  -5.565
  231    HB2  SER  39           1HB      SER  39   0.826  -2.125  -5.872
  232    HB3  SER  39           2HB      SER  39   0.438  -1.582  -4.231
  233    HG   SER  39           HG       SER  39   1.049  -0.055  -6.505
  234    H    GLN  40           H        GLN  40   3.342   0.508  -5.843
  235    HA   GLN  40           HA       GLN  40   4.310   2.482  -5.244
  236    HB2  GLN  40           1HB      GLN  40   2.230   2.046  -3.122
  237    HB3  GLN  40           2HB      GLN  40   3.289   3.464  -3.060
  238    HG2  GLN  40           1HG      GLN  40   1.609   4.398  -4.237
  239    HG3  GLN  40           2HG      GLN  40   2.483   3.666  -5.591
  240   HE21  GLN  40          1HE2      GLN  40   0.897   3.158  -6.963
  241   HE22  GLN  40          2HE2      GLN  40  -0.443   2.133  -6.595
  242    H    CYS  41           H        CYS  41   5.946   0.396  -4.673
  243    HA   CYS  41           HA       CYS  41   6.860   0.524  -1.941
  244    HB2  CYS  41           1HB      CYS  41   7.862  -0.872  -4.416
  245    HB3  CYS  41           2HB      CYS  41   8.744  -0.927  -2.880
  246    H    ARG  42           H        ARG  42   7.054   2.985  -2.302
  247    HA   ARG  42           HA       ARG  42   9.839   3.603  -2.416
  248    HB2  ARG  42           1HB      ARG  42   9.111   3.519  -4.858
  249    HB3  ARG  42           2HB      ARG  42   8.146   4.961  -4.507
  250    HG2  ARG  42           1HG      ARG  42  10.011   6.300  -4.153
  251    HG3  ARG  42           2HG      ARG  42  11.070   4.906  -3.887
  252    HD2  ARG  42           1HD      ARG  42  11.033   4.320  -6.208
  253    HD3  ARG  42           2HD      ARG  42   9.757   5.504  -6.529
  254    HE   ARG  42           HE       ARG  42  11.805   7.001  -5.541
  255   HH11  ARG  42          1HH1      ARG  42  11.481   4.718  -8.149
  256   HH12  ARG  42          2HH1      ARG  42  12.693   5.471  -9.133
  257   HH21  ARG  42          1HH2      ARG  42  13.402   8.001  -6.826
  258   HH22  ARG  42          2HH2      ARG  42  13.785   7.337  -8.378
  259    H    GLY  43           H        GLY  43   7.411   3.867  -0.707
  260    HA2  GLY  43           2HA      GLY  43   6.721   6.632  -0.571
  261    HA3  GLY  43           3HA      GLY  43   6.383   5.416   0.652
  262    H    CYS  44           H        CYS  44   6.922   7.614   1.809
  263    HA   CYS  44           HA       CYS  44   9.802   7.888   2.235
  264    HB2  CYS  44           1HB      CYS  44   7.612   9.549   3.471
  265    HB3  CYS  44           2HB      CYS  44   9.325   9.967   3.302
  Start of MODEL    7
    1    H1   ALA   1           H        ALA   1  -3.939   6.360   7.451
    2    HA   ALA   1           HA       ALA   1  -4.174   3.941   6.546
    3    HB1  ALA   1           1HB      ALA   1  -5.379   5.212   8.636
    4    HB2  ALA   1           2HB      ALA   1  -6.767   4.622   7.720
    5    HB3  ALA   1           3HB      ALA   1  -5.530   3.492   8.272
    6    H    GLN   2           H        GLN   2  -4.434   3.648   4.358
    7    HA   GLN   2           HA       GLN   2  -7.191   3.866   3.385
    8    HB2  GLN   2           1HB      GLN   2  -6.215   4.515   1.122
    9    HB3  GLN   2           2HB      GLN   2  -6.220   5.764   2.376
   10    HG2  GLN   2           1HG      GLN   2  -3.769   4.238   2.460
   11    HG3  GLN   2           2HG      GLN   2  -4.055   4.914   0.849
   12   HE21  GLN   2          1HE2      GLN   2  -3.013   5.540   3.997
   13   HE22  GLN   2          2HE2      GLN   2  -2.837   7.253   3.864
   14    H    ARG   3           H        ARG   3  -7.806   2.307   1.875
   15    HA   ARG   3           HA       ARG   3  -6.066  -0.044   1.823
   16    HB2  ARG   3           1HB      ARG   3  -8.989   0.236   1.086
   17    HB3  ARG   3           2HB      ARG   3  -8.080  -1.281   1.167
   18    HG2  ARG   3           1HG      ARG   3  -7.622  -0.379   3.652
   19    HG3  ARG   3           2HG      ARG   3  -9.196   0.371   3.338
   20    HD2  ARG   3           1HD      ARG   3 -10.174  -1.568   3.836
   21    HD3  ARG   3           2HD      ARG   3  -9.410  -2.259   2.399
   22    HE   ARG   3           HE       ARG   3  -7.516  -2.322   4.428
   23   HH11  ARG   3          1HH1      ARG   3 -10.641  -3.701   3.753
   24   HH12  ARG   3          2HH1      ARG   3 -10.349  -5.139   4.675
   25   HH21  ARG   3          1HH2      ARG   3  -7.121  -4.210   5.644
   26   HH22  ARG   3          2HH2      ARG   3  -8.348  -5.427   5.751
   27    H    CYS   4           H        CYS   4  -5.452  -1.071  -0.061
   28    HA   CYS   4           HA       CYS   4  -6.217   0.142  -2.611
   29    HB2  CYS   4           1HB      CYS   4  -3.771  -0.007  -3.306
   30    HB3  CYS   4           2HB      CYS   4  -4.213   1.321  -2.219
   31    H    GLY   5           H        GLY   5  -4.742  -1.222  -4.364
   32    HA2  GLY   5           2HA      GLY   5  -4.525  -3.245  -5.428
   33    HA3  GLY   5           3HA      GLY   5  -4.305  -3.952  -3.834
   34    H    ASP   6           H        ASP   6  -5.489  -5.798  -4.359
   35    HA   ASP   6           HA       ASP   6  -8.031  -5.844  -5.515
   36    HB2  ASP   6           1HB      ASP   6  -6.412  -7.791  -5.048
   37    HB3  ASP   6           2HB      ASP   6  -7.136  -7.829  -3.435
   38    HD2  ASP   6           HD       ASP   6  -9.083  -9.485  -6.365
   39    H    GLN   7           H        GLN   7  -7.032  -4.917  -2.367
   40    HA   GLN   7           HA       GLN   7  -9.590  -5.338  -1.107
   41    HB2  GLN   7           1HB      GLN   7  -7.118  -3.838  -0.217
   42    HB3  GLN   7           2HB      GLN   7  -8.560  -4.071   0.786
   43    HG2  GLN   7           1HG      GLN   7  -6.645  -6.169  -0.218
   44    HG3  GLN   7           2HG      GLN   7  -6.979  -5.697   1.454
   45   HE21  GLN   7          1HE2      GLN   7  -9.187  -6.092   2.244
   46   HE22  GLN   7          2HE2      GLN   7 -10.016  -7.502   1.689
   47    H    ALA   8           H        ALA   8  -8.591  -3.202  -3.367
   48    HA   ALA   8           HA       ALA   8 -10.628  -1.256  -2.565
   49    HB1  ALA   8           1HB      ALA   8  -9.233   0.631  -3.073
   50    HB2  ALA   8           2HB      ALA   8  -8.408  -0.378  -1.884
   51    HB3  ALA   8           3HB      ALA   8  -7.913  -0.425  -3.576
   52    H    ARG   9           H        ARG   9 -10.700  -3.382  -4.488
   53    HA   ARG   9           HA       ARG   9 -11.341  -3.799  -6.631
   54    HB2  ARG   9           1HB      ARG   9 -12.927  -1.910  -5.938
   55    HB3  ARG   9           2HB      ARG   9 -11.886  -0.850  -6.900
   56    HG2  ARG   9           1HG      ARG   9 -12.921  -1.439  -8.766
   57    HG3  ARG   9           2HG      ARG   9 -12.560  -3.146  -8.456
   58    HD2  ARG   9           1HD      ARG   9 -14.863  -3.200  -8.495
   59    HD3  ARG   9           2HD      ARG   9 -14.551  -2.961  -6.770
   60    HE   ARG   9           HE       ARG   9 -15.614  -0.954  -6.922
   61   HH11  ARG   9          1HH1      ARG   9 -14.498  -1.851 -10.095
   62   HH12  ARG   9          2HH1      ARG   9 -15.240  -0.496 -10.881
   63   HH21  ARG   9          1HH2      ARG   9 -16.595   0.834  -7.945
   64   HH22  ARG   9          2HH2      ARG   9 -16.431   1.030  -9.657
   65    H    GLY  10           H        GLY  10  -8.558  -3.063  -6.081
   66    HA2  GLY  10           2HA      GLY  10  -6.677  -3.007  -7.438
   67    HA3  GLY  10           3HA      GLY  10  -7.722  -2.721  -8.822
   68    H    ALA  11           H        ALA  11  -7.944  -0.713  -5.993
   69    HA   ALA  11           HA       ALA  11  -7.329   1.624  -7.549
   70    HB1  ALA  11           1HB      ALA  11  -9.094   1.582  -5.807
   71    HB2  ALA  11           2HB      ALA  11  -7.832   1.430  -4.583
   72    HB3  ALA  11           3HB      ALA  11  -7.918   2.879  -5.585
   73    H    LYS  12           H        LYS  12  -5.534   2.887  -7.487
   74    HA   LYS  12           HA       LYS  12  -3.204   1.768  -6.110
   75    HB2  LYS  12           1HB      LYS  12  -3.528   3.685  -8.415
   76    HB3  LYS  12           2HB      LYS  12  -1.974   3.459  -7.598
   77    HG2  LYS  12           1HG      LYS  12  -2.045   1.057  -8.143
   78    HG3  LYS  12           2HG      LYS  12  -3.563   1.329  -9.016
   79    HD2  LYS  12           1HD      LYS  12  -1.167   2.980  -9.719
   80    HD3  LYS  12           2HD      LYS  12  -1.271   1.307 -10.294
   81    HE2  LYS  12           1HE      LYS  12  -3.385   1.756 -11.393
   82    HE3  LYS  12           2HE      LYS  12  -3.408   3.393 -10.721
   83    HZ1  LYS  12           3HZ      LYS  12  -1.096   2.609 -12.336
   84    HZ2  LYS  12           1HZ      LYS  12  -1.837   4.121 -12.176
   85    HZ3  LYS  12           2HZ      LYS  12  -2.550   2.929 -13.138
   86    H    CYS  13           H        CYS  13  -1.692   3.205  -5.042
   87    HA   CYS  13           HA       CYS  13  -3.086   5.426  -3.709
   88    HB2  CYS  13           1HB      CYS  13  -0.891   3.561  -2.872
   89    HB3  CYS  13           2HB      CYS  13  -1.086   5.124  -2.060
   90    HA   PRO  14           HA       PRO  14  -0.392   8.461  -5.374
   91    HB2  PRO  14           1HB      PRO  14  -0.070  10.166  -3.254
   92    HB3  PRO  14           2HB      PRO  14  -1.571  10.021  -4.169
   93    HG2  PRO  14           1HG      PRO  14  -0.795   8.739  -1.571
   94    HG3  PRO  14           2HG      PRO  14  -2.339   9.551  -2.025
   95    HD2  PRO  14           1HD      PRO  14  -2.064   6.851  -1.975
   96    HD3  PRO  14           2HD      PRO  14  -3.107   7.685  -3.138
   97    H    ASN  15           H        ASN  15   1.651   9.843  -4.607
   98    HA   ASN  15           HA       ASN  15   3.721   7.902  -4.124
   99    HB2  ASN  15           1HB      ASN  15   3.880  10.905  -4.510
  100    HB3  ASN  15           2HB      ASN  15   5.261   9.802  -4.484
  101   HD21  ASN  15          1HD2      ASN  15   4.852   7.831  -6.029
  102   HD22  ASN  15          2HD2      ASN  15   4.378   8.276  -7.629
  103    H    CYS  16           H        CYS  16   5.568   8.589  -2.603
  104    HA   CYS  16           HA       CYS  16   6.329   8.939  -0.488
  105    HB2  CYS  16           1HB      CYS  16   5.275  11.220  -0.978
  106    HB3  CYS  16           2HB      CYS  16   3.922  10.676   0.026
  107    H    LEU  17           H        LEU  17   3.932   7.079  -1.240
  108    HA   LEU  17           HA       LEU  17   3.416   6.259   1.534
  109    HB2  LEU  17           1HB      LEU  17   1.476   7.486   0.359
  110    HB3  LEU  17           2HB      LEU  17   1.328   6.003  -0.602
  111    HG   LEU  17           HG       LEU  17   1.030   4.759   1.576
  112   HD11  LEU  17          1HD1      LEU  17   0.294   6.086   3.503
  113   HD12  LEU  17          2HD1      LEU  17   0.705   7.564   2.633
  114   HD13  LEU  17          3HD1      LEU  17   1.972   6.419   3.074
  115   HD21  LEU  17          3HD2      LEU  17  -1.025   6.860   0.898
  116   HD22  LEU  17          1HD2      LEU  17  -1.317   5.352   1.764
  117   HD23  LEU  17          2HD2      LEU  17  -0.828   5.315   0.069
  118    H    CYS  18           H        CYS  18   2.805   3.985   1.748
  119    HA   CYS  18           HA       CYS  18   3.877   2.335  -0.446
  120    HB2  CYS  18           1HB      CYS  18   4.083   1.809   2.524
  121    HB3  CYS  18           2HB      CYS  18   4.736   0.777   1.240
  122    H    CYS  19           H        CYS  19   2.695   0.624  -1.101
  123    HA   CYS  19           HA       CYS  19   0.095   0.237   0.204
  124    HB2  CYS  19           1HB      CYS  19   0.125   0.843  -2.197
  125    HB3  CYS  19           2HB      CYS  19   1.001  -0.657  -2.541
  126    H    GLY  20           H        GLY  20   0.097  -1.353   1.656
  127    HA2  GLY  20           2HA      GLY  20   1.971  -3.478   1.695
  128    HA3  GLY  20           3HA      GLY  20   0.512  -3.373   2.669
  129    H    LYS  21           H        LYS  21   1.892  -5.538   0.983
  130    HA   LYS  21           HA       LYS  21   0.498  -6.289  -1.234
  131    HB2  LYS  21           1HB      LYS  21   2.401  -7.543  -0.316
  132    HB3  LYS  21           2HB      LYS  21   1.378  -8.115   1.010
  133    HG2  LYS  21           1HG      LYS  21   0.201  -8.684  -1.582
  134    HG3  LYS  21           2HG      LYS  21   1.816  -9.390  -1.402
  135    HD2  LYS  21           1HD      LYS  21   1.177 -10.554   0.596
  136    HD3  LYS  21           2HD      LYS  21  -0.376  -9.702   0.645
  137    HE2  LYS  21           1HE      LYS  21  -1.276 -11.376  -0.522
  138    HE3  LYS  21           2HE      LYS  21  -0.258 -10.891  -1.886
  139    HZ1  LYS  21           3HZ      LYS  21   0.844 -12.632   0.218
  140    HZ2  LYS  21           1HZ      LYS  21   1.313 -12.485  -1.401
  141    HZ3  LYS  21           2HZ      LYS  21  -0.119 -13.292  -1.005
  142    H    TYR  22           H        TYR  22  -0.599  -6.360   2.079
  143    HA   TYR  22           HA       TYR  22  -2.964  -7.903   1.474
  144    HB2  TYR  22           1HB      TYR  22  -2.167  -6.390   3.975
  145    HB3  TYR  22           2HB      TYR  22  -3.562  -7.462   3.837
  146    HD1  TYR  22           2HD      TYR  22  -3.270  -9.894   3.612
  147    HD2  TYR  22           1HD      TYR  22   0.059  -7.309   4.193
  148    HE1  TYR  22           2HE      TYR  22  -1.884 -11.828   4.231
  149    HE2  TYR  22           1HE      TYR  22   1.456  -9.237   4.812
  150    HH   TYR  22           HH       TYR  22   1.564 -11.549   4.680
  151    H    GLY  23           H        GLY  23  -2.708  -5.570  -0.109
  152    HA2  GLY  23           2HA      GLY  23  -3.847  -3.675  -0.755
  153    HA3  GLY  23           3HA      GLY  23  -5.243  -4.542  -0.136
  154    H    PHE  24           H        PHE  24  -2.460  -3.211   1.615
  155    HA   PHE  24           HA       PHE  24  -4.286  -1.329   2.947
  156    HB2  PHE  24           1HB      PHE  24  -3.756  -3.407   4.324
  157    HB3  PHE  24           2HB      PHE  24  -2.094  -2.814   4.395
  158    HD1  PHE  24           2HD      PHE  24  -5.368  -1.055   4.703
  159    HD2  PHE  24           1HD      PHE  24  -1.650  -2.057   6.517
  160    HE1  PHE  24           2HE      PHE  24  -5.933   0.360   6.633
  161    HE2  PHE  24           1HE      PHE  24  -2.210  -0.643   8.452
  162    HZ   PHE  24           HZ       PHE  24  -4.352   0.569   8.511
  163    H    CYS  25           H        CYS  25  -3.608   0.583   2.196
  164    HA   CYS  25           HA       CYS  25  -0.780   1.101   1.781
  165    HB2  CYS  25           1HB      CYS  25  -3.323   2.574   1.181
  166    HB3  CYS  25           2HB      CYS  25  -1.770   3.424   1.123
  167    H    GLY  26           H        GLY  26   0.504   1.989   3.252
  168    HA2  GLY  26           2HA      GLY  26  -0.597   3.896   5.176
  169    HA3  GLY  26           3HA      GLY  26   0.153   2.446   5.828
  170    H    SER  27           H        SER  27   1.649   3.871   6.897
  171    HA   SER  27           HA       SER  27   3.854   4.655   5.118
  172    HB2  SER  27           1HB      SER  27   2.463   6.646   5.872
  173    HB3  SER  27           2HB      SER  27   3.027   6.298   7.516
  174    HG   SER  27           HG       SER  27   4.257   7.820   5.950
  175    H    GLY  28           H        GLY  28   5.742   5.423   6.827
  176    HA2  GLY  28           2HA      GLY  28   7.228   4.753   8.458
  177    HA3  GLY  28           3HA      GLY  28   5.938   3.792   9.168
  178    H    ASP  29           H        ASP  29   8.633   2.968   8.983
  179    HA   ASP  29           HA       ASP  29   9.141   1.293   6.777
  180    HB2  ASP  29           1HB      ASP  29  10.160   0.954   9.612
  181    HB3  ASP  29           2HB      ASP  29  10.894   0.309   8.136
  182    HD2  ASP  29           HD       ASP  29  11.918   3.610   7.212
  183    H    ALA  30           H        ALA  30   6.997   0.967   9.401
  184    HA   ALA  30           HA       ALA  30   6.933  -1.812   9.758
  185    HB1  ALA  30           1HB      ALA  30   5.830  -0.118  11.222
  186    HB2  ALA  30           2HB      ALA  30   4.578   0.053   9.990
  187    HB3  ALA  30           3HB      ALA  30   4.809  -1.495  10.804
  188    H    TYR  31           H        TYR  31   5.509   0.250   7.315
  189    HA   TYR  31           HA       TYR  31   4.381  -2.145   6.019
  190    HB2  TYR  31           1HB      TYR  31   3.411   0.722   5.878
  191    HB3  TYR  31           2HB      TYR  31   2.747  -0.615   4.936
  192    HD1  TYR  31           1HD      TYR  31   2.493  -2.799   6.788
  193    HD2  TYR  31           2HD      TYR  31   1.820   1.350   7.451
  194    HE1  TYR  31           1HE      TYR  31   0.938  -3.349   8.612
  195    HE2  TYR  31           2HE      TYR  31   0.264   0.811   9.277
  196    HH   TYR  31           HH       TYR  31  -0.927  -2.337   9.809
  197    H    CYS  32           H        CYS  32   6.561   0.463   5.789
  198    HA   CYS  32           HA       CYS  32   6.736   0.365   2.886
  199    HB2  CYS  32           1HB      CYS  32   8.001   2.035   5.033
  200    HB3  CYS  32           2HB      CYS  32   8.689   2.015   3.402
  201    H    GLY  33           H        GLY  33   8.313  -0.946   5.672
  202    HA2  GLY  33           2HA      GLY  33  10.851  -1.508   4.642
  203    HA3  GLY  33           3HA      GLY  33  10.045  -2.434   5.898
  204    H    ALA  34           H        ALA  34  11.724  -3.646   4.068
  205    HA   ALA  34           HA       ALA  34  10.184  -4.791   1.921
  206    HB1  ALA  34           1HB      ALA  34  12.416  -6.365   2.162
  207    HB2  ALA  34           2HB      ALA  34  12.284  -4.914   1.168
  208    HB3  ALA  34           3HB      ALA  34  12.968  -4.812   2.791
  209    H    GLY  35           H        GLY  35   8.637  -6.231   2.341
  210    HA2  GLY  35           2HA      GLY  35   8.925  -8.774   3.173
  211    HA3  GLY  35           3HA      GLY  35   8.762  -7.914   4.697
  212    H    SER  36           H        SER  36   6.963  -5.926   3.295
  213    HA   SER  36           HA       SER  36   4.590  -7.588   2.861
  214    HB2  SER  36           1HB      SER  36   4.746  -6.868   5.296
  215    HB3  SER  36           2HB      SER  36   4.529  -5.205   4.720
  216    HG   SER  36           HG       SER  36   2.555  -6.304   5.347
  217    H    CYS  37           H        CYS  37   6.513  -5.523   1.497
  218    HA   CYS  37           HA       CYS  37   4.580  -3.547   0.588
  219    HB2  CYS  37           1HB      CYS  37   7.022  -3.054   1.124
  220    HB3  CYS  37           2HB      CYS  37   7.411  -3.878  -0.395
  221    H    GLN  38           H        GLN  38   3.605  -3.530  -1.364
  222    HA   GLN  38           HA       GLN  38   4.380  -5.590  -3.313
  223    HB2  GLN  38           1HB      GLN  38   2.426  -6.442  -2.204
  224    HB3  GLN  38           2HB      GLN  38   1.590  -4.893  -2.396
  225    HG2  GLN  38           1HG      GLN  38   2.381  -5.770  -4.977
  226    HG3  GLN  38           2HG      GLN  38   1.612  -7.127  -4.143
  227   HE21  GLN  38          1HE2      GLN  38  -0.443  -6.467  -2.931
  228   HE22  GLN  38          2HE2      GLN  38  -1.541  -5.461  -3.807
  229    H    SER  39           H        SER  39   2.454  -2.639  -2.828
  230    HA   SER  39           HA       SER  39   3.281  -1.776  -5.520
  231    HB2  SER  39           1HB      SER  39   1.004  -2.187  -5.839
  232    HB3  SER  39           2HB      SER  39   0.585  -1.642  -4.205
  233    HG   SER  39           HG       SER  39   0.381  -0.226  -6.340
  234    H    GLN  40           H        GLN  40   3.405   0.547  -5.821
  235    HA   GLN  40           HA       GLN  40   4.293   2.562  -5.238
  236    HB2  GLN  40           1HB      GLN  40   2.220   2.065  -3.123
  237    HB3  GLN  40           2HB      GLN  40   3.220   3.525  -3.070
  238    HG2  GLN  40           1HG      GLN  40   1.509   4.378  -4.266
  239    HG3  GLN  40           2HG      GLN  40   2.423   3.674  -5.606
  240   HE21  GLN  40          1HE2      GLN  40   0.887   3.071  -6.990
  241   HE22  GLN  40          2HE2      GLN  40  -0.418   2.000  -6.623
  242    H    CYS  41           H        CYS  41   6.005   0.546  -4.633
  243    HA   CYS  41           HA       CYS  41   6.897   0.740  -1.897
  244    HB2  CYS  41           1HB      CYS  41   7.964  -0.644  -4.352
  245    HB3  CYS  41           2HB      CYS  41   8.844  -0.644  -2.814
  246    H    ARG  42           H        ARG  42   6.997   3.200  -2.280
  247    HA   ARG  42           HA       ARG  42   9.755   3.928  -2.387
  248    HB2  ARG  42           1HB      ARG  42   9.032   3.793  -4.833
  249    HB3  ARG  42           2HB      ARG  42   8.026   5.210  -4.495
  250    HG2  ARG  42           1HG      ARG  42   9.792   6.629  -4.363
  251    HG3  ARG  42           2HG      ARG  42  10.872   5.384  -3.717
  252    HD2  ARG  42           1HD      ARG  42   9.940   5.605  -6.588
  253    HD3  ARG  42           2HD      ARG  42  11.538   6.047  -5.970
  254    HE   ARG  42           HE       ARG  42  11.076   3.387  -5.280
  255   HH11  ARG  42          1HH1      ARG  42  11.498   5.320  -8.145
  256   HH12  ARG  42          2HH1      ARG  42  12.182   4.027  -9.074
  257   HH21  ARG  42          1HH2      ARG  42  11.974   1.677  -6.494
  258   HH22  ARG  42          2HH2      ARG  42  12.450   1.956  -8.135
  259    H    GLY  43           H        GLY  43   7.309   4.111  -0.693
  260    HA2  GLY  43           2HA      GLY  43   6.510   6.848  -0.584
  261    HA3  GLY  43           3HA      GLY  43   6.214   5.630   0.648
  262    H    CYS  44           H        CYS  44   6.661   7.861   1.784
  263    HA   CYS  44           HA       CYS  44   9.526   8.253   2.222
  264    HB2  CYS  44           1HB      CYS  44   7.260   9.834   3.432
  265    HB3  CYS  44           2HB      CYS  44   8.958  10.319   3.274
  Start of MODEL    8
    1    H1   ALA   1           H        ALA   1  -4.820   6.020   8.297
    2    HA   ALA   1           HA       ALA   1  -3.895   5.026   6.232
    3    HB1  ALA   1           1HB      ALA   1  -5.451   2.734   6.873
    4    HB2  ALA   1           2HB      ALA   1  -3.783   3.097   7.319
    5    HB3  ALA   1           3HB      ALA   1  -5.106   3.610   8.365
    6    H    GLN   2           H        GLN   2  -4.390   3.715   4.340
    7    HA   GLN   2           HA       GLN   2  -7.144   3.970   3.364
    8    HB2  GLN   2           1HB      GLN   2  -6.149   4.598   1.099
    9    HB3  GLN   2           2HB      GLN   2  -6.154   5.850   2.349
   10    HG2  GLN   2           1HG      GLN   2  -3.716   4.287   2.425
   11    HG3  GLN   2           2HG      GLN   2  -3.989   5.013   0.837
   12   HE21  GLN   2          1HE2      GLN   2  -3.505   5.652   4.227
   13   HE22  GLN   2          2HE2      GLN   2  -3.095   7.322   4.058
   14    H    ARG   3           H        ARG   3  -7.779   2.417   1.858
   15    HA   ARG   3           HA       ARG   3  -6.070   0.042   1.810
   16    HB2  ARG   3           1HB      ARG   3  -8.991   0.360   1.071
   17    HB3  ARG   3           2HB      ARG   3  -8.101  -1.168   1.156
   18    HG2  ARG   3           1HG      ARG   3  -7.636  -0.244   3.640
   19    HG3  ARG   3           2HG      ARG   3  -9.215   0.493   3.317
   20    HD2  ARG   3           1HD      ARG   3 -10.207  -1.447   3.774
   21    HD3  ARG   3           2HD      ARG   3  -9.356  -2.172   2.402
   22    HE   ARG   3           HE       ARG   3  -7.548  -2.164   4.481
   23   HH11  ARG   3          1HH1      ARG   3 -10.699  -3.510   3.866
   24   HH12  ARG   3          2HH1      ARG   3 -10.455  -4.885   4.891
   25   HH21  ARG   3          1HH2      ARG   3  -7.215  -3.970   5.833
   26   HH22  ARG   3          2HH2      ARG   3  -8.473  -5.145   6.010
   27    H    CYS   4           H        CYS   4  -5.471  -0.996  -0.072
   28    HA   CYS   4           HA       CYS   4  -6.219   0.223  -2.624
   29    HB2  CYS   4           1HB      CYS   4  -3.772   0.038  -3.317
   30    HB3  CYS   4           2HB      CYS   4  -4.198   1.375  -2.234
   31    H    GLY   5           H        GLY   5  -4.761  -1.165  -4.374
   32    HA2  GLY   5           2HA      GLY   5  -4.575  -3.192  -5.436
   33    HA3  GLY   5           3HA      GLY   5  -4.364  -3.900  -3.841
   34    H    ASP   6           H        ASP   6  -5.574  -5.730  -4.359
   35    HA   ASP   6           HA       ASP   6  -8.117  -5.743  -5.515
   36    HB2  ASP   6           1HB      ASP   6  -6.409  -7.678  -4.826
   37    HB3  ASP   6           2HB      ASP   6  -7.490  -7.777  -3.431
   38    HD2  ASP   6           HD       ASP   6  -8.993  -8.751  -6.978
   39    H    GLN   7           H        GLN   7  -7.103  -4.819  -2.370
   40    HA   GLN   7           HA       GLN   7  -9.666  -5.204  -1.109
   41    HB2  GLN   7           1HB      GLN   7  -7.170  -3.740  -0.221
   42    HB3  GLN   7           2HB      GLN   7  -8.617  -3.944   0.781
   43    HG2  GLN   7           1HG      GLN   7  -7.357  -6.379  -0.382
   44    HG3  GLN   7           2HG      GLN   7  -6.556  -5.572   0.973
   45   HE21  GLN   7          1HE2      GLN   7  -7.167  -7.899   1.699
   46   HE22  GLN   7          2HE2      GLN   7  -8.637  -8.014   2.598
   47    H    ALA   8           H        ALA   8  -8.639  -3.087  -3.373
   48    HA   ALA   8           HA       ALA   8 -10.648  -1.111  -2.575
   49    HB1  ALA   8           1HB      ALA   8  -9.221   0.754  -3.108
   50    HB2  ALA   8           2HB      ALA   8  -8.432  -0.249  -1.890
   51    HB3  ALA   8           3HB      ALA   8  -7.912  -0.332  -3.573
   52    H    ARG   9           H        ARG   9 -10.751  -3.241  -4.493
   53    HA   ARG   9           HA       ARG   9 -11.397  -3.653  -6.636
   54    HB2  ARG   9           1HB      ARG   9 -12.948  -1.728  -5.939
   55    HB3  ARG   9           2HB      ARG   9 -11.899  -0.700  -6.928
   56    HG2  ARG   9           1HG      ARG   9 -12.480  -1.801  -8.918
   57    HG3  ARG   9           2HG      ARG   9 -13.185  -3.169  -8.041
   58    HD2  ARG   9           1HD      ARG   9 -15.160  -2.116  -7.691
   59    HD3  ARG   9           2HD      ARG   9 -14.381  -0.545  -7.450
   60    HE   ARG   9           HE       ARG   9 -14.074  -0.972 -10.101
   61   HH11  ARG   9          1HH1      ARG   9 -16.822  -1.078  -7.967
   62   HH12  ARG   9          2HH1      ARG   9 -17.953  -0.598  -9.189
   63   HH21  ARG   9          1HH2      ARG   9 -15.554  -0.339 -11.717
   64   HH22  ARG   9          2HH2      ARG   9 -17.231  -0.179 -11.322
   65    H    GLY  10           H        GLY  10  -8.604  -2.953  -6.087
   66    HA2  GLY  10           2HA      GLY  10  -6.723  -2.928  -7.444
   67    HA3  GLY  10           3HA      GLY  10  -7.764  -2.632  -8.828
   68    H    ALA  11           H        ALA  11  -7.957  -0.613  -6.005
   69    HA   ALA  11           HA       ALA  11  -7.311   1.712  -7.566
   70    HB1  ALA  11           1HB      ALA  11  -9.073   1.699  -5.821
   71    HB2  ALA  11           2HB      ALA  11  -7.812   1.530  -4.599
   72    HB3  ALA  11           3HB      ALA  11  -7.879   2.978  -5.602
   73    H    LYS  12           H        LYS  12  -5.504   2.963  -7.496
   74    HA   LYS  12           HA       LYS  12  -3.185   1.809  -6.129
   75    HB2  LYS  12           1HB      LYS  12  -3.473   3.758  -8.418
   76    HB3  LYS  12           2HB      LYS  12  -1.922   3.455  -7.618
   77    HG2  LYS  12           1HG      LYS  12  -1.697   1.364  -8.498
   78    HG3  LYS  12           2HG      LYS  12  -3.449   1.108  -8.599
   79    HD2  LYS  12           1HD      LYS  12  -2.457   3.286 -10.305
   80    HD3  LYS  12           2HD      LYS  12  -1.822   1.684 -10.718
   81    HE2  LYS  12           1HE      LYS  12  -4.699   1.677 -10.161
   82    HE3  LYS  12           2HE      LYS  12  -4.240   2.708 -11.525
   83    HZ1  LYS  12           3HZ      LYS  12  -4.569  -0.011 -11.578
   84    HZ2  LYS  12           1HZ      LYS  12  -2.892   0.202 -11.620
   85    HZ3  LYS  12           2HZ      LYS  12  -3.866   0.940 -12.788
   86    H    CYS  13           H        CYS  13  -1.655   3.226  -5.060
   87    HA   CYS  13           HA       CYS  13  -3.016   5.464  -3.726
   88    HB2  CYS  13           1HB      CYS  13  -0.846   3.569  -2.890
   89    HB3  CYS  13           2HB      CYS  13  -1.021   5.134  -2.078
   90    HA   PRO  14           HA       PRO  14  -0.281   8.462  -5.391
   91    HB2  PRO  14           1HB      PRO  14   0.063  10.163  -3.273
   92    HB3  PRO  14           2HB      PRO  14  -1.440  10.038  -4.186
   93    HG2  PRO  14           1HG      PRO  14  -0.679   8.745  -1.589
   94    HG3  PRO  14           2HG      PRO  14  -2.213   9.579  -2.041
   95    HD2  PRO  14           1HD      PRO  14  -1.972   6.874  -1.993
   96    HD3  PRO  14           2HD      PRO  14  -3.007   7.724  -3.155
   97    H    ASN  15           H        ASN  15   1.779   9.817  -4.626
   98    HA   ASN  15           HA       ASN  15   3.823   7.847  -4.144
   99    HB2  ASN  15           1HB      ASN  15   3.932  10.832  -4.637
  100    HB3  ASN  15           2HB      ASN  15   5.367   9.827  -4.409
  101   HD21  ASN  15          1HD2      ASN  15   5.874   8.236  -5.959
  102   HD22  ASN  15          2HD2      ASN  15   5.266   8.339  -7.573
  103    H    CYS  16           H        CYS  16   5.680   8.509  -2.623
  104    HA   CYS  16           HA       CYS  16   6.447   8.847  -0.509
  105    HB2  CYS  16           1HB      CYS  16   5.429  11.144  -0.999
  106    HB3  CYS  16           2HB      CYS  16   4.065  10.620   0.005
  107    H    LEU  17           H        LEU  17   4.024   7.022  -1.258
  108    HA   LEU  17           HA       LEU  17   3.496   6.212   1.516
  109    HB2  LEU  17           1HB      LEU  17   1.574   7.464   0.338
  110    HB3  LEU  17           2HB      LEU  17   1.405   5.984  -0.620
  111    HG   LEU  17           HG       LEU  17   1.090   4.746   1.559
  112   HD11  LEU  17          1HD1      LEU  17   0.645   7.514   2.659
  113   HD12  LEU  17          2HD1      LEU  17   2.079   6.538   2.973
  114   HD13  LEU  17          3HD1      LEU  17   0.498   5.982   3.519
  115   HD21  LEU  17          3HD2      LEU  17  -1.255   5.423   1.769
  116   HD22  LEU  17          1HD2      LEU  17  -0.769   5.277   0.081
  117   HD23  LEU  17          2HD2      LEU  17  -0.921   6.871   0.820
  118    H    CYS  18           H        CYS  18   2.854   3.947   1.734
  119    HA   CYS  18           HA       CYS  18   3.904   2.280  -0.460
  120    HB2  CYS  18           1HB      CYS  18   4.101   1.753   2.511
  121    HB3  CYS  18           2HB      CYS  18   4.741   0.714   1.226
  122    H    CYS  19           H        CYS  19   2.698   0.584  -1.112
  123    HA   CYS  19           HA       CYS  19   0.091   0.234   0.192
  124    HB2  CYS  19           1HB      CYS  19   0.132   0.837  -2.210
  125    HB3  CYS  19           2HB      CYS  19   0.987  -0.676  -2.550
  126    H    GLY  20           H        GLY  20   0.071  -1.353   1.647
  127    HA2  GLY  20           2HA      GLY  20   1.916  -3.503   1.692
  128    HA3  GLY  20           3HA      GLY  20   0.457  -3.377   2.664
  129    H    LYS  21           H        LYS  21   1.809  -5.562   0.982
  130    HA   LYS  21           HA       LYS  21   0.407  -6.298  -1.235
  131    HB2  LYS  21           1HB      LYS  21   2.288  -7.583  -0.335
  132    HB3  LYS  21           2HB      LYS  21   1.278  -8.119   1.017
  133    HG2  LYS  21           1HG      LYS  21  -0.251  -9.196  -0.659
  134    HG3  LYS  21           2HG      LYS  21   0.969  -8.825  -1.889
  135    HD2  LYS  21           1HD      LYS  21   1.576 -10.972  -1.318
  136    HD3  LYS  21           2HD      LYS  21   2.592 -10.025  -0.215
  137    HE2  LYS  21           1HE      LYS  21   1.073 -10.378   1.613
  138    HE3  LYS  21           2HE      LYS  21  -0.115 -11.120   0.532
  139    HZ1  LYS  21           3HZ      LYS  21   1.253 -13.001   0.230
  140    HZ2  LYS  21           1HZ      LYS  21   1.249 -12.698   1.895
  141    HZ3  LYS  21           2HZ      LYS  21   2.587 -12.259   0.959
  142    H    TYR  22           H        TYR  22  -0.693  -6.348   2.077
  143    HA   TYR  22           HA       TYR  22  -3.079  -7.860   1.472
  144    HB2  TYR  22           1HB      TYR  22  -2.048  -6.474   3.946
  145    HB3  TYR  22           2HB      TYR  22  -3.669  -7.168   3.875
  146    HD1  TYR  22           2HD      TYR  22  -3.975  -9.615   3.573
  147    HD2  TYR  22           1HD      TYR  22  -0.132  -7.896   4.187
  148    HE1  TYR  22           2HE      TYR  22  -3.085 -11.831   4.162
  149    HE2  TYR  22           1HE      TYR  22   0.770 -10.106   4.776
  150    HH   TYR  22           HH       TYR  22   0.264 -12.239   5.236
  151    H    GLY  23           H        GLY  23  -2.790  -5.533  -0.113
  152    HA2  GLY  23           2HA      GLY  23  -3.903  -3.624  -0.762
  153    HA3  GLY  23           3HA      GLY  23  -5.312  -4.471  -0.143
  154    H    PHE  24           H        PHE  24  -2.510  -3.174   1.606
  155    HA   PHE  24           HA       PHE  24  -4.311  -1.266   2.936
  156    HB2  PHE  24           1HB      PHE  24  -3.797  -3.357   4.308
  157    HB3  PHE  24           2HB      PHE  24  -2.137  -2.764   4.395
  158    HD1  PHE  24           2HD      PHE  24  -1.599  -0.691   5.591
  159    HD2  PHE  24           1HD      PHE  24  -5.529  -2.327   5.604
  160    HE1  PHE  24           2HE      PHE  24  -2.178   0.723   7.521
  161    HE2  PHE  24           1HE      PHE  24  -6.114  -0.915   7.533
  162    HZ   PHE  24           HZ       PHE  24  -4.437   0.611   8.494
  163    H    CYS  25           H        CYS  25  -3.606   0.636   2.181
  164    HA   CYS  25           HA       CYS  25  -0.772   1.113   1.767
  165    HB2  CYS  25           1HB      CYS  25  -3.293   2.621   1.164
  166    HB3  CYS  25           2HB      CYS  25  -1.728   3.450   1.106
  167    H    GLY  26           H        GLY  26   0.524   1.987   3.239
  168    HA2  GLY  26           2HA      GLY  26  -0.551   3.911   5.159
  169    HA3  GLY  26           3HA      GLY  26   0.178   2.452   5.813
  170    H    SER  27           H        SER  27   1.694   3.858   6.882
  171    HA   SER  27           HA       SER  27   3.909   4.608   5.103
  172    HB2  SER  27           1HB      SER  27   2.545   6.619   5.854
  173    HB3  SER  27           2HB      SER  27   3.105   6.266   7.497
  174    HG   SER  27           HG       SER  27   4.448   7.791   6.425
  175    H    GLY  28           H        GLY  28   5.808   5.352   6.810
  176    HA2  GLY  28           2HA      GLY  28   7.284   4.663   8.443
  177    HA3  GLY  28           3HA      GLY  28   5.981   3.722   9.153
  178    H    ASP  29           H        ASP  29   8.664   2.859   8.971
  179    HA   ASP  29           HA       ASP  29   9.149   1.174   6.768
  180    HB2  ASP  29           1HB      ASP  29  10.365   1.733   9.347
  181    HB3  ASP  29           2HB      ASP  29  10.441   0.009   8.957
  182    HD2  ASP  29           HD       ASP  29  13.161   0.675   7.004
  183    H    ALA  30           H        ALA  30   6.998   0.883   9.391
  184    HA   ALA  30           HA       ALA  30   6.895  -1.895   9.753
  185    HB1  ALA  30           1HB      ALA  30   5.148   0.394  10.360
  186    HB2  ALA  30           2HB      ALA  30   4.340  -1.170  10.241
  187    HB3  ALA  30           3HB      ALA  30   5.666  -0.946  11.384
  188    H    TYR  31           H        TYR  31   5.502   0.182   7.305
  189    HA   TYR  31           HA       TYR  31   4.342  -2.199   6.011
  190    HB2  TYR  31           1HB      TYR  31   3.412   0.680   5.865
  191    HB3  TYR  31           2HB      TYR  31   2.730  -0.649   4.925
  192    HD1  TYR  31           1HD      TYR  31   3.118   0.674   8.353
  193    HD2  TYR  31           2HD      TYR  31   1.159  -2.168   5.866
  194    HE1  TYR  31           1HE      TYR  31   1.556   0.158  10.182
  195    HE2  TYR  31           2HE      TYR  31  -0.408  -2.691   7.688
  196    HH   TYR  31           HH       TYR  31  -0.812  -0.780  10.371
  197    H    CYS  32           H        CYS  32   6.558   0.379   5.780
  198    HA   CYS  32           HA       CYS  32   6.733   0.275   2.877
  199    HB2  CYS  32           1HB      CYS  32   8.018   1.931   5.023
  200    HB3  CYS  32           2HB      CYS  32   8.708   1.900   3.393
  201    H    GLY  33           H        GLY  33   8.289  -1.055   5.665
  202    HA2  GLY  33           2HA      GLY  33  10.821  -1.652   4.639
  203    HA3  GLY  33           3HA      GLY  33  10.001  -2.566   5.896
  204    H    ALA  34           H        ALA  34  11.666  -3.802   4.066
  205    HA   ALA  34           HA       ALA  34  10.112  -4.928   1.920
  206    HB1  ALA  34           1HB      ALA  34  12.090  -5.530   1.097
  207    HB2  ALA  34           2HB      ALA  34  12.819  -4.665   2.450
  208    HB3  ALA  34           3HB      ALA  34  12.518  -6.398   2.572
  209    H    GLY  35           H        GLY  35   8.544  -6.344   2.341
  210    HA2  GLY  35           2HA      GLY  35   8.796  -8.891   3.174
  211    HA3  GLY  35           3HA      GLY  35   8.648  -8.029   4.697
  212    H    SER  36           H        SER  36   6.876  -6.016   3.293
  213    HA   SER  36           HA       SER  36   4.479  -7.644   2.866
  214    HB2  SER  36           1HB      SER  36   4.642  -6.926   5.299
  215    HB3  SER  36           2HB      SER  36   4.461  -5.260   4.723
  216    HG   SER  36           HG       SER  36   2.593  -7.321   4.812
  217    H    CYS  37           H        CYS  37   6.430  -5.609   1.496
  218    HA   CYS  37           HA       CYS  37   4.524  -3.609   0.584
  219    HB2  CYS  37           1HB      CYS  37   6.971  -3.146   1.119
  220    HB3  CYS  37           2HB      CYS  37   7.351  -3.979  -0.397
  221    H    GLN  38           H        GLN  38   3.552  -3.579  -1.369
  222    HA   GLN  38           HA       GLN  38   4.299  -5.655  -3.314
  223    HB2  GLN  38           1HB      GLN  38   2.334  -6.477  -2.203
  224    HB3  GLN  38           2HB      GLN  38   1.517  -4.918  -2.399
  225    HG2  GLN  38           1HG      GLN  38   2.297  -5.809  -4.979
  226    HG3  GLN  38           2HG      GLN  38   1.513  -7.156  -4.142
  227   HE21  GLN  38          1HE2      GLN  38  -0.535  -6.473  -2.931
  228   HE22  GLN  38          2HE2      GLN  38  -1.622  -5.456  -3.808
  229    H    SER  39           H        SER  39   2.414  -2.675  -2.833
  230    HA   SER  39           HA       SER  39   3.254  -1.827  -5.528
  231    HB2  SER  39           1HB      SER  39   0.973  -2.210  -5.847
  232    HB3  SER  39           2HB      SER  39   0.558  -1.658  -4.215
  233    HG   SER  39           HG       SER  39   1.106  -0.155  -6.513
  234    H    GLN  40           H        GLN  40   3.404   0.495  -5.831
  235    HA   GLN  40           HA       GLN  40   4.318   2.499  -5.250
  236    HB2  GLN  40           1HB      GLN  40   2.237   2.028  -3.134
  237    HB3  GLN  40           2HB      GLN  40   3.257   3.476  -3.081
  238    HG2  GLN  40           1HG      GLN  40   1.553   4.348  -4.276
  239    HG3  GLN  40           2HG      GLN  40   2.462   3.636  -5.617
  240   HE21  GLN  40          1HE2      GLN  40   0.927   3.042  -7.004
  241   HE22  GLN  40          2HE2      GLN  40  -0.392   1.987  -6.639
  242    H    CYS  41           H        CYS  41   5.999   0.455  -4.640
  243    HA   CYS  41           HA       CYS  41   6.897   0.642  -1.907
  244    HB2  CYS  41           1HB      CYS  41   7.945  -0.754  -4.361
  245    HB3  CYS  41           2HB      CYS  41   8.829  -0.763  -2.826
  246    H    ARG  42           H        ARG  42   7.028   3.101  -2.284
  247    HA   ARG  42           HA       ARG  42   9.794   3.794  -2.395
  248    HB2  ARG  42           1HB      ARG  42   9.045   3.673  -4.842
  249    HB3  ARG  42           2HB      ARG  42   8.084   5.116  -4.491
  250    HG2  ARG  42           1HG      ARG  42   9.902   6.480  -4.320
  251    HG3  ARG  42           2HG      ARG  42  10.959   5.171  -3.766
  252    HD2  ARG  42           1HD      ARG  42  11.136   4.264  -5.981
  253    HD3  ARG  42           2HD      ARG  42   9.889   5.370  -6.574
  254    HE   ARG  42           HE       ARG  42  11.860   6.999  -5.590
  255   HH11  ARG  42          1HH1      ARG  42  11.679   4.468  -7.973
  256   HH12  ARG  42          2HH1      ARG  42  12.947   5.123  -8.955
  257   HH21  ARG  42          1HH2      ARG  42  13.530   7.871  -6.873
  258   HH22  ARG  42          2HH2      ARG  42  13.999   7.059  -8.328
  259    H    GLY  43           H        GLY  43   7.356   4.004  -0.695
  260    HA2  GLY  43           2HA      GLY  43   6.587   6.748  -0.579
  261    HA3  GLY  43           3HA      GLY  43   6.284   5.533   0.653
  262    H    CYS  44           H        CYS  44   6.762   7.767   1.781
  263    HA   CYS  44           HA       CYS  44   9.632   8.118   2.212
  264    HB2  CYS  44           1HB      CYS  44   7.392   9.738   3.417
  265    HB3  CYS  44           2HB      CYS  44   9.095  10.198   3.255
  Start of MODEL    9
    1    H1   ALA   1           H        ALA   1  -4.999   6.574   7.785
    2    HA   ALA   1           HA       ALA   1  -3.890   4.223   6.535
    3    HB1  ALA   1           1HB      ALA   1  -4.705   4.073   8.809
    4    HB2  ALA   1           2HB      ALA   1  -6.318   4.567   8.291
    5    HB3  ALA   1           3HB      ALA   1  -5.655   3.021   7.759
    6    H    GLN   2           H        GLN   2  -4.350   3.687   4.511
    7    HA   GLN   2           HA       GLN   2  -7.113   3.962   3.569
    8    HB2  GLN   2           1HB      GLN   2  -6.160   4.628   1.306
    9    HB3  GLN   2           2HB      GLN   2  -6.112   5.859   2.579
   10    HG2  GLN   2           1HG      GLN   2  -3.697   4.281   2.603
   11    HG3  GLN   2           2HG      GLN   2  -3.995   4.967   0.999
   12   HE21  GLN   2          1HE2      GLN   2  -4.606   7.323   1.009
   13   HE22  GLN   2          2HE2      GLN   2  -3.727   8.351   2.084
   14    H    ARG   3           H        ARG   3  -7.769   2.429   2.051
   15    HA   ARG   3           HA       ARG   3  -6.064   0.053   1.951
   16    HB2  ARG   3           1HB      ARG   3  -8.991   0.381   1.248
   17    HB3  ARG   3           2HB      ARG   3  -8.102  -1.149   1.312
   18    HG2  ARG   3           1HG      ARG   3  -7.616  -0.496   3.775
   19    HG3  ARG   3           2HG      ARG   3  -8.981   0.613   3.559
   20    HD2  ARG   3           1HD      ARG   3 -10.297  -1.114   4.108
   21    HD3  ARG   3           2HD      ARG   3  -9.925  -1.745   2.498
   22    HE   ARG   3           HE       ARG   3  -8.709  -3.400   3.485
   23   HH11  ARG   3          1HH1      ARG   3  -9.037  -0.768   5.740
   24   HH12  ARG   3          2HH1      ARG   3  -8.278  -1.619   7.044
   25   HH21  ARG   3          1HH2      ARG   3  -7.709  -4.531   5.194
   26   HH22  ARG   3          2HH2      ARG   3  -7.522  -3.759   6.733
   27    H    CYS   4           H        CYS   4  -5.488  -0.960   0.049
   28    HA   CYS   4           HA       CYS   4  -6.267   0.292  -2.479
   29    HB2  CYS   4           1HB      CYS   4  -3.829   0.114  -3.203
   30    HB3  CYS   4           2HB      CYS   4  -4.244   1.439  -2.104
   31    H    GLY   5           H        GLY   5  -4.839  -1.073  -4.267
   32    HA2  GLY   5           2HA      GLY   5  -4.636  -3.090  -5.344
   33    HA3  GLY   5           3HA      GLY   5  -4.458  -3.823  -3.756
   34    H    ASP   6           H        ASP   6  -5.686  -5.628  -4.284
   35    HA   ASP   6           HA       ASP   6  -8.204  -5.607  -5.495
   36    HB2  ASP   6           1HB      ASP   6  -6.613  -7.587  -4.931
   37    HB3  ASP   6           2HB      ASP   6  -7.475  -7.620  -3.387
   38    HD2  ASP   6           HD       ASP   6  -9.185  -9.243  -6.467
   39    H    GLN   7           H        GLN   7  -7.244  -4.707  -2.323
   40    HA   GLN   7           HA       GLN   7  -9.839  -5.050  -1.120
   41    HB2  GLN   7           1HB      GLN   7  -7.236  -3.833  -0.231
   42    HB3  GLN   7           2HB      GLN   7  -8.714  -3.608   0.717
   43    HG2  GLN   7           1HG      GLN   7  -7.384  -5.456   1.580
   44    HG3  GLN   7           2HG      GLN   7  -8.950  -6.008   0.973
   45   HE21  GLN   7          1HE2      GLN   7  -9.045  -7.347  -0.786
   46   HE22  GLN   7          2HE2      GLN   7  -7.651  -8.080  -1.494
   47    H    ALA   8           H        ALA   8  -8.722  -2.942  -3.354
   48    HA   ALA   8           HA       ALA   8 -10.710  -0.928  -2.586
   49    HB1  ALA   8           1HB      ALA   8  -8.472  -0.119  -1.894
   50    HB2  ALA   8           2HB      ALA   8  -7.958  -0.206  -3.579
   51    HB3  ALA   8           3HB      ALA   8  -9.243   0.904  -3.105
   52    H    ARG   9           H        ARG   9 -10.816  -3.075  -4.503
   53    HA   ARG   9           HA       ARG   9 -11.470  -3.479  -6.643
   54    HB2  ARG   9           1HB      ARG   9 -12.967  -1.496  -5.965
   55    HB3  ARG   9           2HB      ARG   9 -11.894  -0.520  -6.979
   56    HG2  ARG   9           1HG      ARG   9 -12.855  -1.217  -8.863
   57    HG3  ARG   9           2HG      ARG   9 -12.806  -2.909  -8.344
   58    HD2  ARG   9           1HD      ARG   9 -14.867  -2.763  -7.224
   59    HD3  ARG   9           2HD      ARG   9 -14.810  -0.996  -7.197
   60    HE   ARG   9           HE       ARG   9 -15.752  -0.966  -9.280
   61   HH11  ARG   9          1HH1      ARG   9 -14.496  -4.151  -8.647
   62   HH12  ARG   9          2HH1      ARG   9 -15.188  -4.849 -10.075
   63   HH21  ARG   9          1HH2      ARG   9 -16.668  -1.874 -11.162
   64   HH22  ARG   9          2HH2      ARG   9 -16.421  -3.553 -11.505
   65    H    GLY  10           H        GLY  10  -8.667  -2.862  -6.082
   66    HA2  GLY  10           2HA      GLY  10  -6.776  -2.893  -7.427
   67    HA3  GLY  10           3HA      GLY  10  -7.799  -2.564  -8.818
   68    H    ALA  11           H        ALA  11  -8.017  -0.521  -6.030
   69    HA   ALA  11           HA       ALA  11  -7.237   1.767  -7.583
   70    HB1  ALA  11           1HB      ALA  11  -7.848   3.071  -5.663
   71    HB2  ALA  11           2HB      ALA  11  -9.065   1.816  -5.903
   72    HB3  ALA  11           3HB      ALA  11  -7.850   1.637  -4.635
   73    H    LYS  12           H        LYS  12  -5.405   2.982  -7.431
   74    HA   LYS  12           HA       LYS  12  -3.176   1.769  -5.963
   75    HB2  LYS  12           1HB      LYS  12  -3.252   3.760  -8.241
   76    HB3  LYS  12           2HB      LYS  12  -1.766   3.253  -7.423
   77    HG2  LYS  12           1HG      LYS  12  -2.397   0.871  -8.050
   78    HG3  LYS  12           2HG      LYS  12  -3.605   1.600  -9.123
   79    HD2  LYS  12           1HD      LYS  12  -1.472   3.040  -9.869
   80    HD3  LYS  12           2HD      LYS  12  -0.650   1.561  -9.339
   81    HE2  LYS  12           1HE      LYS  12  -1.762   0.223 -10.918
   82    HE3  LYS  12           2HE      LYS  12  -3.007   1.451 -11.192
   83    HZ1  LYS  12           3HZ      LYS  12  -0.282   2.253 -11.809
   84    HZ2  LYS  12           1HZ      LYS  12  -1.720   2.567 -12.642
   85    HZ3  LYS  12           2HZ      LYS  12  -0.949   1.072 -12.822
   86    H    CYS  13           H        CYS  13  -1.612   3.205  -4.916
   87    HA   CYS  13           HA       CYS  13  -2.979   5.463  -3.620
   88    HB2  CYS  13           1HB      CYS  13  -0.819   3.574  -2.745
   89    HB3  CYS  13           2HB      CYS  13  -0.995   5.150  -1.954
   90    HA   PRO  14           HA       PRO  14  -0.227   8.437  -5.299
   91    HB2  PRO  14           1HB      PRO  14   0.114  10.158  -3.196
   92    HB3  PRO  14           2HB      PRO  14  -1.386  10.029  -4.115
   93    HG2  PRO  14           1HG      PRO  14  -0.643   8.759  -1.502
   94    HG3  PRO  14           2HG      PRO  14  -2.172   9.594  -1.971
   95    HD2  PRO  14           1HD      PRO  14  -1.940   6.890  -1.893
   96    HD3  PRO  14           2HD      PRO  14  -2.965   7.729  -3.070
   97    H    ASN  15           H        ASN  15   1.836   9.790  -4.545
   98    HA   ASN  15           HA       ASN  15   3.873   7.824  -4.039
   99    HB2  ASN  15           1HB      ASN  15   4.115  10.827  -4.385
  100    HB3  ASN  15           2HB      ASN  15   5.447   9.665  -4.431
  101   HD21  ASN  15          1HD2      ASN  15   4.147  11.577  -6.419
  102   HD22  ASN  15          2HD2      ASN  15   3.942  10.610  -7.836
  103    H    CYS  16           H        CYS  16   5.720   8.480  -2.508
  104    HA   CYS  16           HA       CYS  16   6.476   8.822  -0.389
  105    HB2  CYS  16           1HB      CYS  16   5.458  11.118  -0.884
  106    HB3  CYS  16           2HB      CYS  16   4.090  10.591   0.113
  107    H    LEU  17           H        LEU  17   4.048   7.002  -1.155
  108    HA   LEU  17           HA       LEU  17   3.516   6.180   1.615
  109    HB2  LEU  17           1HB      LEU  17   1.600   7.449   0.448
  110    HB3  LEU  17           2HB      LEU  17   1.421   5.976  -0.521
  111    HG   LEU  17           HG       LEU  17   1.091   4.722   1.640
  112   HD11  LEU  17          1HD1      LEU  17   2.061   6.248   3.203
  113   HD12  LEU  17          2HD1      LEU  17   0.341   6.112   3.565
  114   HD13  LEU  17          3HD1      LEU  17   0.953   7.531   2.716
  115   HD21  LEU  17          3HD2      LEU  17  -0.758   5.362   0.152
  116   HD22  LEU  17          1HD2      LEU  17  -0.905   6.894   1.015
  117   HD23  LEU  17          2HD2      LEU  17  -1.235   5.376   1.850
  118    H    CYS  18           H        CYS  18   2.852   3.915   1.815
  119    HA   CYS  18           HA       CYS  18   3.890   2.257  -0.390
  120    HB2  CYS  18           1HB      CYS  18   4.104   1.723   2.578
  121    HB3  CYS  18           2HB      CYS  18   4.721   0.673   1.290
  122    H    CYS  19           H        CYS  19   2.669   0.577  -1.051
  123    HA   CYS  19           HA       CYS  19   0.072   0.226   0.272
  124    HB2  CYS  19           1HB      CYS  19   0.102   0.858  -2.126
  125    HB3  CYS  19           2HB      CYS  19   0.934  -0.664  -2.489
  126    H    GLY  20           H        GLY  20   0.071  -1.374   1.716
  127    HA2  GLY  20           2HA      GLY  20   1.901  -3.534   1.712
  128    HA3  GLY  20           3HA      GLY  20   0.454  -3.412   2.702
  129    H    LYS  21           H        LYS  21   1.776  -5.586   0.981
  130    HA   LYS  21           HA       LYS  21   0.345  -6.289  -1.228
  131    HB2  LYS  21           1HB      LYS  21   2.206  -7.619  -0.444
  132    HB3  LYS  21           2HB      LYS  21   1.300  -8.090   1.004
  133    HG2  LYS  21           1HG      LYS  21  -0.154  -8.755  -1.412
  134    HG3  LYS  21           2HG      LYS  21   1.461  -9.485  -1.385
  135    HD2  LYS  21           1HD      LYS  21   1.028 -10.490   0.779
  136    HD3  LYS  21           2HD      LYS  21  -0.546  -9.679   0.860
  137    HE2  LYS  21           1HE      LYS  21  -1.468 -11.440  -0.147
  138    HE3  LYS  21           2HE      LYS  21  -0.513 -11.058  -1.585
  139    HZ1  LYS  21           3HZ      LYS  21  -0.138 -13.152   0.362
  140    HZ2  LYS  21           1HZ      LYS  21   1.285 -12.333  -0.047
  141    HZ3  LYS  21           2HZ      LYS  21   0.360 -13.073  -1.254
  142    H    TYR  22           H        TYR  22  -0.719  -6.368   2.096
  143    HA   TYR  22           HA       TYR  22  -3.119  -7.864   1.501
  144    HB2  TYR  22           1HB      TYR  22  -2.167  -6.431   3.992
  145    HB3  TYR  22           2HB      TYR  22  -3.691  -7.316   3.894
  146    HD1  TYR  22           1HD      TYR  22  -3.580  -9.806   3.226
  147    HD2  TYR  22           2HD      TYR  22  -0.211  -7.587   4.579
  148    HE1  TYR  22           1HE      TYR  22  -2.434 -11.906   3.800
  149    HE2  TYR  22           2HE      TYR  22   0.945  -9.679   5.155
  150    HH   TYR  22           HH       TYR  22   0.198 -12.563   4.029
  151    H    GLY  23           H        GLY  23  -2.835  -5.524  -0.066
  152    HA2  GLY  23           2HA      GLY  23  -3.945  -3.604  -0.688
  153    HA3  GLY  23           3HA      GLY  23  -5.352  -4.452  -0.062
  154    H    PHE  24           H        PHE  24  -2.531  -3.190   1.678
  155    HA   PHE  24           HA       PHE  24  -4.310  -1.284   3.039
  156    HB2  PHE  24           1HB      PHE  24  -3.820  -3.369   4.403
  157    HB3  PHE  24           2HB      PHE  24  -2.138  -2.836   4.447
  158    HD1  PHE  24           2HD      PHE  24  -5.534  -1.448   5.128
  159    HD2  PHE  24           1HD      PHE  24  -1.435  -1.624   6.259
  160    HE1  PHE  24           2HE      PHE  24  -6.013  -0.024   7.077
  161    HE2  PHE  24           1HE      PHE  24  -1.907  -0.201   8.210
  162    HZ   PHE  24           HZ       PHE  24  -4.199   0.602   8.620
  163    H    CYS  25           H        CYS  25  -3.604   0.624   2.298
  164    HA   CYS  25           HA       CYS  25  -0.772   1.092   1.861
  165    HB2  CYS  25           1HB      CYS  25  -3.293   2.614   1.295
  166    HB3  CYS  25           2HB      CYS  25  -1.725   3.439   1.230
  167    H    GLY  26           H        GLY  26   0.542   1.946   3.327
  168    HA2  GLY  26           2HA      GLY  26  -0.507   3.857   5.276
  169    HA3  GLY  26           3HA      GLY  26   0.221   2.389   5.910
  170    H    SER  27           H        SER  27   1.754   3.774   6.977
  171    HA   SER  27           HA       SER  27   3.956   4.533   5.185
  172    HB2  SER  27           1HB      SER  27   2.609   6.544   5.971
  173    HB3  SER  27           2HB      SER  27   3.184   6.169   7.605
  174    HG   SER  27           HG       SER  27   4.424   7.650   5.944
  175    H    GLY  28           H        GLY  28   5.875   5.249   6.881
  176    HA2  GLY  28           2HA      GLY  28   7.365   4.535   8.490
  177    HA3  GLY  28           3HA      GLY  28   6.063   3.597   9.208
  178    H    ASP  29           H        ASP  29   8.733   2.713   8.994
  179    HA   ASP  29           HA       ASP  29   9.187   1.044   6.771
  180    HB2  ASP  29           1HB      ASP  29  10.476   1.644   9.265
  181    HB3  ASP  29           2HB      ASP  29  10.435  -0.110   9.041
  182    HD2  ASP  29           HD       ASP  29  12.885   1.999   6.844
  183    H    ALA  30           H        ALA  30   7.055   0.745   9.409
  184    HA   ALA  30           HA       ALA  30   6.928  -2.033   9.746
  185    HB1  ALA  30           1HB      ALA  30   5.584   0.187  10.759
  186    HB2  ALA  30           2HB      ALA  30   4.332  -0.806  10.011
  187    HB3  ALA  30           3HB      ALA  30   5.382  -1.497  11.248
  188    H    TYR  31           H        TYR  31   5.538   0.074   7.321
  189    HA   TYR  31           HA       TYR  31   4.358  -2.289   6.012
  190    HB2  TYR  31           1HB      TYR  31   3.442   0.597   5.893
  191    HB3  TYR  31           2HB      TYR  31   2.746  -0.723   4.951
  192    HD1  TYR  31           2HD      TYR  31   2.129  -2.867   6.527
  193    HD2  TYR  31           1HD      TYR  31   2.212   1.207   7.753
  194    HE1  TYR  31           2HE      TYR  31   0.576  -3.392   8.360
  195    HE2  TYR  31           1HE      TYR  31   0.658   0.692   9.589
  196    HH   TYR  31           HH       TYR  31  -0.133  -1.130  10.874
  197    H    CYS  32           H        CYS  32   6.589   0.277   5.795
  198    HA   CYS  32           HA       CYS  32   6.746   0.204   2.890
  199    HB2  CYS  32           1HB      CYS  32   8.056   1.826   5.046
  200    HB3  CYS  32           2HB      CYS  32   8.737   1.807   3.411
  201    H    GLY  33           H        GLY  33   8.305  -1.174   5.652
  202    HA2  GLY  33           2HA      GLY  33  10.828  -1.776   4.608
  203    HA3  GLY  33           3HA      GLY  33  10.004  -2.701   5.855
  204    H    ALA  34           H        ALA  34  11.656  -3.919   3.997
  205    HA   ALA  34           HA       ALA  34  10.082  -5.007   1.844
  206    HB1  ALA  34           1HB      ALA  34  12.865  -5.047   2.668
  207    HB2  ALA  34           2HB      ALA  34  12.307  -6.620   2.097
  208    HB3  ALA  34           3HB      ALA  34  12.158  -5.202   1.059
  209    H    GLY  35           H        GLY  35   8.521  -6.436   2.239
  210    HA2  GLY  35           2HA      GLY  35   8.759  -8.990   3.033
  211    HA3  GLY  35           3HA      GLY  35   8.633  -8.154   4.574
  212    H    SER  36           H        SER  36   6.859  -6.106   3.220
  213    HA   SER  36           HA       SER  36   4.447  -7.711   2.798
  214    HB2  SER  36           1HB      SER  36   4.671  -7.003   5.242
  215    HB3  SER  36           2HB      SER  36   4.434  -5.342   4.670
  216    HG   SER  36           HG       SER  36   2.395  -5.795   4.107
  217    H    CYS  37           H        CYS  37   6.396  -5.669   1.434
  218    HA   CYS  37           HA       CYS  37   4.494  -3.643   0.573
  219    HB2  CYS  37           1HB      CYS  37   6.950  -3.205   1.084
  220    HB3  CYS  37           2HB      CYS  37   7.307  -4.023  -0.447
  221    H    GLN  38           H        GLN  38   3.499  -3.577  -1.368
  222    HA   GLN  38           HA       GLN  38   4.203  -5.636  -3.349
  223    HB2  GLN  38           1HB      GLN  38   2.237  -6.440  -2.218
  224    HB3  GLN  38           2HB      GLN  38   1.437  -4.870  -2.407
  225    HG2  GLN  38           1HG      GLN  38   2.185  -5.748  -4.994
  226    HG3  GLN  38           2HG      GLN  38   1.417  -7.107  -4.162
  227   HE21  GLN  38          1HE2      GLN  38  -0.619  -6.442  -2.915
  228   HE22  GLN  38          2HE2      GLN  38  -1.722  -5.426  -3.772
  229    H    SER  39           H        SER  39   2.358  -2.641  -2.814
  230    HA   SER  39           HA       SER  39   3.192  -1.764  -5.500
  231    HB2  SER  39           1HB      SER  39   0.908  -2.130  -5.821
  232    HB3  SER  39           2HB      SER  39   0.499  -1.597  -4.181
  233    HG   SER  39           HG       SER  39  -0.064   0.086  -5.447
  234    H    GLN  40           H        GLN  40   3.370   0.555  -5.773
  235    HA   GLN  40           HA       GLN  40   4.284   2.551  -5.166
  236    HB2  GLN  40           1HB      GLN  40   2.470   2.182  -2.770
  237    HB3  GLN  40           2HB      GLN  40   3.193   3.710  -3.298
  238    HG2  GLN  40           1HG      GLN  40   1.083   2.079  -4.693
  239    HG3  GLN  40           2HG      GLN  40   0.955   3.720  -4.044
  240   HE21  GLN  40          1HE2      GLN  40   0.501   2.638  -6.758
  241   HE22  GLN  40          2HE2      GLN  40   1.495   3.590  -7.801
  242    H    CYS  41           H        CYS  41   5.961   0.490  -4.600
  243    HA   CYS  41           HA       CYS  41   6.878   0.628  -1.870
  244    HB2  CYS  41           1HB      CYS  41   7.909  -0.726  -4.357
  245    HB3  CYS  41           2HB      CYS  41   8.801  -0.765  -2.828
  246    H    ARG  42           H        ARG  42   7.014   3.091  -2.200
  247    HA   ARG  42           HA       ARG  42   9.779   3.782  -2.316
  248    HB2  ARG  42           1HB      ARG  42   9.047   3.708  -4.758
  249    HB3  ARG  42           2HB      ARG  42   8.048   5.121  -4.388
  250    HG2  ARG  42           1HG      ARG  42   9.783   6.517  -4.470
  251    HG3  ARG  42           2HG      ARG  42  10.795   5.437  -3.496
  252    HD2  ARG  42           1HD      ARG  42  11.950   5.397  -5.485
  253    HD3  ARG  42           2HD      ARG  42  10.864   4.015  -5.700
  254    HE   ARG  42           HE       ARG  42   9.462   6.084  -6.751
  255   HH11  ARG  42          1HH1      ARG  42  12.671   4.838  -7.263
  256   HH12  ARG  42          2HH1      ARG  42  12.737   5.327  -8.925
  257   HH21  ARG  42          1HH2      ARG  42   9.536   6.734  -8.936
  258   HH22  ARG  42          2HH2      ARG  42  10.954   6.407  -9.874
  259    H    GLY  43           H        GLY  43   7.350   3.966  -0.599
  260    HA2  GLY  43           2HA      GLY  43   6.574   6.702  -0.430
  261    HA3  GLY  43           3HA      GLY  43   6.300   5.469   0.791
  262    H    CYS  44           H        CYS  44   6.794   7.761   1.871
  263    HA   CYS  44           HA       CYS  44   9.664   8.099   2.286
  264    HB2  CYS  44           1HB      CYS  44   7.427   9.704   3.521
  265    HB3  CYS  44           2HB      CYS  44   9.129  10.169   3.357
  Start of MODEL   10
    1    H1   ALA   1           H        ALA   1  -5.728   6.652   7.226
    2    HA   ALA   1           HA       ALA   1  -3.732   4.855   6.387
    3    HB1  ALA   1           1HB      ALA   1  -3.904   3.236   7.904
    4    HB2  ALA   1           2HB      ALA   1  -5.349   3.956   8.616
    5    HB3  ALA   1           3HB      ALA   1  -5.492   2.885   7.221
    6    H    GLN   2           H        GLN   2  -4.299   3.779   4.503
    7    HA   GLN   2           HA       GLN   2  -7.073   4.031   3.588
    8    HB2  GLN   2           1HB      GLN   2  -6.128   4.662   1.302
    9    HB3  GLN   2           2HB      GLN   2  -6.110   5.914   2.554
   10    HG2  GLN   2           1HG      GLN   2  -3.670   4.312   2.506
   11    HG3  GLN   2           2HG      GLN   2  -3.985   5.171   0.992
   12   HE21  GLN   2          1HE2      GLN   2  -2.974   5.433   4.233
   13   HE22  GLN   2          2HE2      GLN   2  -2.718   7.141   4.260
   14    H    ARG   3           H        ARG   3  -7.739   2.479   2.095
   15    HA   ARG   3           HA       ARG   3  -6.026   0.108   2.003
   16    HB2  ARG   3           1HB      ARG   3  -8.965   0.422   1.339
   17    HB3  ARG   3           2HB      ARG   3  -8.070  -1.105   1.393
   18    HG2  ARG   3           1HG      ARG   3  -7.693   0.243   3.878
   19    HG3  ARG   3           2HG      ARG   3  -9.423   0.206   3.496
   20    HD2  ARG   3           1HD      ARG   3  -7.578  -2.195   3.489
   21    HD3  ARG   3           2HD      ARG   3  -8.708  -1.766   4.781
   22    HE   ARG   3           HE       ARG   3 -10.053  -1.982   2.291
   23   HH11  ARG   3          1HH1      ARG   3  -8.639  -3.876   4.847
   24   HH12  ARG   3          2HH1      ARG   3  -9.663  -5.248   4.574
   25   HH21  ARG   3          1HH2      ARG   3 -11.406  -3.781   1.921
   26   HH22  ARG   3          2HH2      ARG   3 -11.235  -5.193   2.909
   27    H    CYS   4           H        CYS   4  -5.472  -0.927   0.106
   28    HA   CYS   4           HA       CYS   4  -6.283   0.297  -2.425
   29    HB2  CYS   4           1HB      CYS   4  -3.855   0.114  -3.178
   30    HB3  CYS   4           2HB      CYS   4  -4.254   1.448  -2.084
   31    H    GLY   5           H        GLY   5  -4.876  -1.087  -4.217
   32    HA2  GLY   5           2HA      GLY   5  -4.680  -3.117  -5.272
   33    HA3  GLY   5           3HA      GLY   5  -4.490  -3.833  -3.679
   34    H    ASP   6           H        ASP   6  -5.724  -5.642  -4.179
   35    HA   ASP   6           HA       ASP   6  -8.255  -5.629  -5.366
   36    HB2  ASP   6           1HB      ASP   6  -7.021  -7.687  -5.161
   37    HB3  ASP   6           2HB      ASP   6  -7.021  -7.562  -3.396
   38    HD2  ASP   6           HD       ASP   6  -9.995  -9.220  -3.201
   39    H    GLN   7           H        GLN   7  -7.262  -4.709  -2.209
   40    HA   GLN   7           HA       GLN   7  -9.845  -5.038  -0.979
   41    HB2  GLN   7           1HB      GLN   7  -7.221  -3.847  -0.132
   42    HB3  GLN   7           2HB      GLN   7  -8.684  -3.552   0.820
   43    HG2  GLN   7           1HG      GLN   7  -7.313  -5.433   1.661
   44    HG3  GLN   7           2HG      GLN   7  -8.971  -5.885   1.238
   45   HE21  GLN   7          1HE2      GLN   7  -5.673  -6.466   0.699
   46   HE22  GLN   7          2HE2      GLN   7  -5.839  -7.647  -0.552
   47    H    ALA   8           H        ALA   8  -8.744  -2.946  -3.238
   48    HA   ALA   8           HA       ALA   8 -10.723  -0.924  -2.467
   49    HB1  ALA   8           1HB      ALA   8  -9.279   0.902  -2.961
   50    HB2  ALA   8           2HB      ALA   8  -8.426  -0.152  -1.835
   51    HB3  ALA   8           3HB      ALA   8  -8.015  -0.178  -3.549
   52    H    ARG   9           H        ARG   9 -10.852  -3.092  -4.362
   53    HA   ARG   9           HA       ARG   9 -11.537  -3.518  -6.488
   54    HB2  ARG   9           1HB      ARG   9 -13.046  -1.556  -5.820
   55    HB3  ARG   9           2HB      ARG   9 -11.974  -0.556  -6.814
   56    HG2  ARG   9           1HG      ARG   9 -13.545  -1.035  -8.377
   57    HG3  ARG   9           2HG      ARG   9 -12.491  -2.440  -8.605
   58    HD2  ARG   9           1HD      ARG   9 -13.991  -3.561  -6.798
   59    HD3  ARG   9           2HD      ARG   9 -15.132  -2.272  -7.206
   60    HE   ARG   9           HE       ARG   9 -14.478  -4.566  -8.799
   61   HH11  ARG   9          1HH1      ARG   9 -15.633  -1.282  -8.872
   62   HH12  ARG   9          2HH1      ARG   9 -16.480  -1.475 -10.371
   63   HH21  ARG   9          1HH2      ARG   9 -15.590  -4.833 -10.773
   64   HH22  ARG   9          2HH2      ARG   9 -16.455  -3.495 -11.452
   65    H    GLY  10           H        GLY  10  -8.726  -2.891  -5.974
   66    HA2  GLY  10           2HA      GLY  10  -6.856  -2.931  -7.345
   67    HA3  GLY  10           3HA      GLY  10  -7.899  -2.616  -8.724
   68    H    ALA  11           H        ALA  11  -8.082  -0.548  -5.953
   69    HA   ALA  11           HA       ALA  11  -7.324   1.726  -7.539
   70    HB1  ALA  11           1HB      ALA  11  -7.919   3.049  -5.627
   71    HB2  ALA  11           2HB      ALA  11  -9.135   1.789  -5.839
   72    HB3  ALA  11           3HB      ALA  11  -7.908   1.627  -4.583
   73    H    LYS  12           H        LYS  12  -5.494   2.948  -7.415
   74    HA   LYS  12           HA       LYS  12  -3.248   1.755  -5.958
   75    HB2  LYS  12           1HB      LYS  12  -3.311   3.764  -8.222
   76    HB3  LYS  12           2HB      LYS  12  -1.837   3.157  -7.451
   77    HG2  LYS  12           1HG      LYS  12  -1.927   1.156  -8.500
   78    HG3  LYS  12           2HG      LYS  12  -3.699   1.121  -8.499
   79    HD2  LYS  12           1HD      LYS  12  -3.780   2.722 -10.322
   80    HD3  LYS  12           2HD      LYS  12  -2.015   2.878 -10.284
   81    HE2  LYS  12           1HE      LYS  12  -2.125   1.342 -11.948
   82    HE3  LYS  12           2HE      LYS  12  -2.212   0.221 -10.581
   83    HZ1  LYS  12           3HZ      LYS  12  -4.476  -0.068 -10.845
   84    HZ2  LYS  12           1HZ      LYS  12  -3.940   0.025 -12.447
   85    HZ3  LYS  12           2HZ      LYS  12  -4.677   1.364 -11.724
   86    H    CYS  13           H        CYS  13  -1.674   3.206  -4.945
   87    HA   CYS  13           HA       CYS  13  -3.033   5.474  -3.659
   88    HB2  CYS  13           1HB      CYS  13  -0.858   3.601  -2.788
   89    HB3  CYS  13           2HB      CYS  13  -1.031   5.185  -2.011
   90    HA   PRO  14           HA       PRO  14  -0.307   8.436  -5.401
   91    HB2  PRO  14           1HB      PRO  14   0.048  10.184  -3.322
   92    HB3  PRO  14           2HB      PRO  14  -1.459  10.038  -4.224
   93    HG2  PRO  14           1HG      PRO  14  -0.684   8.801  -1.603
   94    HG3  PRO  14           2HG      PRO  14  -2.220   9.625  -2.066
   95    HD2  PRO  14           1HD      PRO  14  -1.982   6.922  -1.960
   96    HD3  PRO  14           2HD      PRO  14  -3.020   7.746  -3.135
   97    H    ASN  15           H        ASN  15   1.760   9.803  -4.688
   98    HA   ASN  15           HA       ASN  15   3.806   7.848  -4.178
   99    HB2  ASN  15           1HB      ASN  15   4.012  10.844  -4.598
  100    HB3  ASN  15           2HB      ASN  15   5.369   9.712  -4.585
  101   HD21  ASN  15          1HD2      ASN  15   4.732  11.414  -6.725
  102   HD22  ASN  15          2HD2      ASN  15   4.305  10.436  -8.083
  103    H    CYS  16           H        CYS  16   5.671   8.535  -2.677
  104    HA   CYS  16           HA       CYS  16   6.450   8.913  -0.573
  105    HB2  CYS  16           1HB      CYS  16   5.408  11.195  -1.086
  106    HB3  CYS  16           2HB      CYS  16   4.058  10.671  -0.067
  107    H    LEU  17           H        LEU  17   4.021   7.069  -1.285
  108    HA   LEU  17           HA       LEU  17   3.534   6.276   1.501
  109    HB2  LEU  17           1HB      LEU  17   1.595   7.525   0.349
  110    HB3  LEU  17           2HB      LEU  17   1.406   6.040  -0.599
  111    HG   LEU  17           HG       LEU  17   1.114   4.810   1.580
  112   HD11  LEU  17          1HD1      LEU  17   0.587   6.044   3.559
  113   HD12  LEU  17          2HD1      LEU  17   0.733   7.579   2.702
  114   HD13  LEU  17          3HD1      LEU  17   2.163   6.583   2.977
  115   HD21  LEU  17          3HD2      LEU  17  -0.765   5.397   0.133
  116   HD22  LEU  17          1HD2      LEU  17  -0.890   6.967   0.927
  117   HD23  LEU  17          2HD2      LEU  17  -1.213   5.491   1.837
  118    H    CYS  18           H        CYS  18   2.881   4.013   1.735
  119    HA   CYS  18           HA       CYS  18   3.899   2.335  -0.465
  120    HB2  CYS  18           1HB      CYS  18   4.137   1.825   2.507
  121    HB3  CYS  18           2HB      CYS  18   4.749   0.769   1.222
  122    H    CYS  19           H        CYS  19   2.675   0.647  -1.101
  123    HA   CYS  19           HA       CYS  19   0.090   0.302   0.248
  124    HB2  CYS  19           1HB      CYS  19   0.087   0.915  -2.150
  125    HB3  CYS  19           2HB      CYS  19   0.932  -0.599  -2.515
  126    H    GLY  20           H        GLY  20   0.132  -1.278   1.717
  127    HA2  GLY  20           2HA      GLY  20   1.958  -3.437   1.707
  128    HA3  GLY  20           3HA      GLY  20   0.520  -3.312   2.710
  129    H    LYS  21           H        LYS  21   1.836  -5.490   0.987
  130    HA   LYS  21           HA       LYS  21   0.380  -6.214  -1.200
  131    HB2  LYS  21           1HB      LYS  21   2.304  -7.476  -0.261
  132    HB3  LYS  21           2HB      LYS  21   1.232  -8.106   1.000
  133    HG2  LYS  21           1HG      LYS  21   0.200  -8.529  -1.701
  134    HG3  LYS  21           2HG      LYS  21   1.761  -9.312  -1.401
  135    HD2  LYS  21           1HD      LYS  21   0.925 -10.658   0.293
  136    HD3  LYS  21           2HD      LYS  21  -0.433  -9.567   0.616
  137    HE2  LYS  21           1HE      LYS  21  -1.269 -11.563  -0.457
  138    HE3  LYS  21           2HE      LYS  21  -1.413 -10.192  -1.568
  139    HZ1  LYS  21           3HZ      LYS  21   0.533 -10.921  -2.739
  140    HZ2  LYS  21           1HZ      LYS  21  -0.552 -12.215  -2.637
  141    HZ3  LYS  21           2HZ      LYS  21   0.803 -12.166  -1.626
  142    H    TYR  22           H        TYR  22  -0.640  -6.275   2.135
  143    HA   TYR  22           HA       TYR  22  -3.035  -7.794   1.586
  144    HB2  TYR  22           1HB      TYR  22  -2.032  -6.353   4.048
  145    HB3  TYR  22           2HB      TYR  22  -3.578  -7.201   3.988
  146    HD1  TYR  22           1HD      TYR  22  -3.433  -9.706   3.110
  147    HD2  TYR  22           2HD      TYR  22  -0.201  -7.544   4.838
  148    HE1  TYR  22           1HE      TYR  22  -2.326 -11.827   3.680
  149    HE2  TYR  22           2HE      TYR  22   0.914  -9.659   5.412
  150    HH   TYR  22           HH       TYR  22   0.822 -12.113   4.439
  151    H    GLY  23           H        GLY  23  -2.791  -5.466  -0.004
  152    HA2  GLY  23           2HA      GLY  23  -3.925  -3.560  -0.624
  153    HA3  GLY  23           3HA      GLY  23  -5.317  -4.411   0.029
  154    H    PHE  24           H        PHE  24  -2.479  -3.115   1.717
  155    HA   PHE  24           HA       PHE  24  -4.250  -1.208   3.085
  156    HB2  PHE  24           1HB      PHE  24  -3.658  -3.332   4.423
  157    HB3  PHE  24           2HB      PHE  24  -2.033  -2.652   4.521
  158    HD1  PHE  24           1HD      PHE  24  -1.826  -0.242   5.436
  159    HD2  PHE  24           2HD      PHE  24  -5.232  -2.727   6.020
  160    HE1  PHE  24           1HE      PHE  24  -2.486   1.124   7.373
  161    HE2  PHE  24           2HE      PHE  24  -5.897  -1.364   7.957
  162    HZ   PHE  24           HZ       PHE  24  -4.524   0.564   8.635
  163    H    CYS  25           H        CYS  25  -3.563   0.695   2.320
  164    HA   CYS  25           HA       CYS  25  -0.739   1.174   1.844
  165    HB2  CYS  25           1HB      CYS  25  -3.272   2.682   1.296
  166    HB3  CYS  25           2HB      CYS  25  -1.709   3.510   1.203
  167    H    GLY  26           H        GLY  26   0.588   2.046   3.289
  168    HA2  GLY  26           2HA      GLY  26  -0.447   3.970   5.231
  169    HA3  GLY  26           3HA      GLY  26   0.294   2.511   5.871
  170    H    SER  27           H        SER  27   1.832   3.916   6.909
  171    HA   SER  27           HA       SER  27   4.013   4.660   5.086
  172    HB2  SER  27           1HB      SER  27   2.670   6.676   5.859
  173    HB3  SER  27           2HB      SER  27   3.256   6.321   7.494
  174    HG   SER  27           HG       SER  27   5.018   7.314   6.970
  175    H    GLY  28           H        GLY  28   5.945   5.405   6.757
  176    HA2  GLY  28           2HA      GLY  28   7.452   4.715   8.362
  177    HA3  GLY  28           3HA      GLY  28   6.162   3.774   9.097
  178    H    ASP  29           H        ASP  29   8.840   2.911   8.863
  179    HA   ASP  29           HA       ASP  29   9.281   1.224   6.651
  180    HB2  ASP  29           1HB      ASP  29  10.357   0.741   9.434
  181    HB3  ASP  29           2HB      ASP  29  11.097   0.309   7.887
  182    HD2  ASP  29           HD       ASP  29  11.815   3.822   7.375
  183    H    ALA  30           H        ALA  30   7.189   0.933   9.323
  184    HA   ALA  30           HA       ALA  30   7.091  -1.844   9.685
  185    HB1  ALA  30           1HB      ALA  30   4.506  -0.533   9.961
  186    HB2  ALA  30           2HB      ALA  30   5.490  -1.365  11.165
  187    HB3  ALA  30           3HB      ALA  30   5.810   0.327  10.781
  188    H    TYR  31           H        TYR  31   5.650   0.233   7.266
  189    HA   TYR  31           HA       TYR  31   4.457  -2.147   6.001
  190    HB2  TYR  31           1HB      TYR  31   3.529   0.736   5.868
  191    HB3  TYR  31           2HB      TYR  31   2.822  -0.597   4.952
  192    HD1  TYR  31           2HD      TYR  31   1.531  -2.360   6.081
  193    HD2  TYR  31           1HD      TYR  31   3.037   0.995   8.219
  194    HE1  TYR  31           2HE      TYR  31   0.007  -2.870   7.943
  195    HE2  TYR  31           1HE      TYR  31   1.519   0.494  10.088
  196    HH   TYR  31           HH       TYR  31  -0.825  -0.798  10.259
  197    H    CYS  32           H        CYS  32   6.674   0.426   5.720
  198    HA   CYS  32           HA       CYS  32   6.785   0.322   2.815
  199    HB2  CYS  32           1HB      CYS  32   8.121   1.973   4.933
  200    HB3  CYS  32           2HB      CYS  32   8.778   1.938   3.287
  201    H    GLY  33           H        GLY  33   8.393  -1.022   5.566
  202    HA2  GLY  33           2HA      GLY  33  10.902  -1.623   4.488
  203    HA3  GLY  33           3HA      GLY  33  10.103  -2.539   5.757
  204    H    ALA  34           H        ALA  34  11.725  -3.780   3.899
  205    HA   ALA  34           HA       ALA  34  10.131  -4.889   1.773
  206    HB1  ALA  34           1HB      ALA  34  12.913  -5.380   2.775
  207    HB2  ALA  34           2HB      ALA  34  12.175  -6.431   1.566
  208    HB3  ALA  34           3HB      ALA  34  12.390  -4.713   1.228
  209    H    GLY  35           H        GLY  35   8.611  -6.363   2.137
  210    HA2  GLY  35           2HA      GLY  35   8.837  -8.888   2.974
  211    HA3  GLY  35           3HA      GLY  35   8.730  -8.042   4.510
  212    H    SER  36           H        SER  36   6.943  -5.999   3.171
  213    HA   SER  36           HA       SER  36   4.524  -7.603   2.781
  214    HB2  SER  36           1HB      SER  36   4.539  -7.062   5.165
  215    HB3  SER  36           2HB      SER  36   4.772  -5.347   4.785
  216    HG   SER  36           HG       SER  36   2.493  -6.573   5.061
  217    H    CYS  37           H        CYS  37   6.459  -5.568   1.390
  218    HA   CYS  37           HA       CYS  37   4.549  -3.541   0.546
  219    HB2  CYS  37           1HB      CYS  37   7.008  -3.099   1.027
  220    HB3  CYS  37           2HB      CYS  37   7.351  -3.928  -0.501
  221    H    GLN  38           H        GLN  38   3.525  -3.487  -1.378
  222    HA   GLN  38           HA       GLN  38   4.199  -5.557  -3.357
  223    HB2  GLN  38           1HB      GLN  38   2.249  -6.394  -2.304
  224    HB3  GLN  38           2HB      GLN  38   1.482  -4.797  -2.298
  225    HG2  GLN  38           1HG      GLN  38   1.312  -4.861  -4.743
  226    HG3  GLN  38           2HG      GLN  38   2.052  -6.468  -4.735
  227   HE21  GLN  38          1HE2      GLN  38  -0.685  -4.672  -3.395
  228   HE22  GLN  38          2HE2      GLN  38  -1.794  -5.996  -3.423
  229    H    SER  39           H        SER  39   2.345  -2.559  -2.849
  230    HA   SER  39           HA       SER  39   3.195  -1.697  -5.535
  231    HB2  SER  39           1HB      SER  39   0.909  -2.062  -5.856
  232    HB3  SER  39           2HB      SER  39   0.499  -1.516  -4.221
  233    HG   SER  39           HG       SER  39   0.492  -0.091  -6.443
  234    H    GLN  40           H        GLN  40   3.391   0.614  -5.824
  235    HA   GLN  40           HA       GLN  40   4.297   2.617  -5.231
  236    HB2  GLN  40           1HB      GLN  40   2.459   2.233  -2.857
  237    HB3  GLN  40           2HB      GLN  40   3.227   3.762  -3.316
  238    HG2  GLN  40           1HG      GLN  40   1.168   2.216  -4.887
  239    HG3  GLN  40           2HG      GLN  40   0.958   3.774  -4.074
  240   HE21  GLN  40          1HE2      GLN  40   0.500   3.170  -6.840
  241   HE22  GLN  40          2HE2      GLN  40   1.555   4.182  -7.760
  242    H    CYS  41           H        CYS  41   5.986   0.573  -4.671
  243    HA   CYS  41           HA       CYS  41   6.912   0.716  -1.944
  244    HB2  CYS  41           1HB      CYS  41   7.930  -0.645  -4.431
  245    HB3  CYS  41           2HB      CYS  41   8.835  -0.675  -2.908
  246    H    ARG  42           H        ARG  42   7.038   3.181  -2.293
  247    HA   ARG  42           HA       ARG  42   9.801   3.879  -2.413
  248    HB2  ARG  42           1HB      ARG  42   9.045   3.781  -4.857
  249    HB3  ARG  42           2HB      ARG  42   8.080   5.218  -4.490
  250    HG2  ARG  42           1HG      ARG  42   9.897   6.585  -4.298
  251    HG3  ARG  42           2HG      ARG  42  10.961   5.266  -3.782
  252    HD2  ARG  42           1HD      ARG  42   9.876   5.608  -6.587
  253    HD3  ARG  42           2HD      ARG  42  11.483   6.115  -6.050
  254    HE   ARG  42           HE       ARG  42  10.654   3.461  -6.703
  255   HH11  ARG  42          1HH1      ARG  42  12.833   5.327  -4.731
  256   HH12  ARG  42          2HH1      ARG  42  14.005   4.059  -4.596
  257   HH21  ARG  42          1HH2      ARG  42  12.190   1.783  -6.533
  258   HH22  ARG  42          2HH2      ARG  42  13.639   2.043  -5.622
  259    H    GLY  43           H        GLY  43   7.370   4.071  -0.700
  260    HA2  GLY  43           2HA      GLY  43   6.572   6.796  -0.553
  261    HA3  GLY  43           3HA      GLY  43   6.330   5.579   0.690
  262    H    CYS  44           H        CYS  44   6.804   7.893   1.730
  263    HA   CYS  44           HA       CYS  44   9.676   8.264   2.111
  264    HB2  CYS  44           1HB      CYS  44   7.445   9.888   3.328
  265    HB3  CYS  44           2HB      CYS  44   9.140  10.358   3.126
  Start of MODEL   11
    1    H1   ALA   1           H        ALA   1  -5.556   6.832   6.747
    2    HA   ALA   1           HA       ALA   1  -3.857   4.780   6.204
    3    HB1  ALA   1           1HB      ALA   1  -4.844   4.038   8.534
    4    HB2  ALA   1           2HB      ALA   1  -6.144   3.411   7.520
    5    HB3  ALA   1           3HB      ALA   1  -4.487   2.861   7.270
    6    H    GLN   2           H        GLN   2  -4.399   3.740   4.319
    7    HA   GLN   2           HA       GLN   2  -7.152   4.005   3.347
    8    HB2  GLN   2           1HB      GLN   2  -6.160   4.592   1.070
    9    HB3  GLN   2           2HB      GLN   2  -6.150   5.863   2.303
   10    HG2  GLN   2           1HG      GLN   2  -3.724   4.293   2.413
   11    HG3  GLN   2           2HG      GLN   2  -3.993   4.968   0.799
   12   HE21  GLN   2          1HE2      GLN   2  -4.623   7.323   0.790
   13   HE22  GLN   2          2HE2      GLN   2  -3.770   8.360   1.875
   14    H    ARG   3           H        ARG   3  -7.807   2.437   1.866
   15    HA   ARG   3           HA       ARG   3  -6.116   0.047   1.844
   16    HB2  ARG   3           1HB      ARG   3  -9.037   0.375   1.110
   17    HB3  ARG   3           2HB      ARG   3  -8.157  -1.158   1.221
   18    HG2  ARG   3           1HG      ARG   3  -7.681  -0.412   3.671
   19    HG3  ARG   3           2HG      ARG   3  -9.069   0.656   3.406
   20    HD2  ARG   3           1HD      ARG   3 -10.390  -1.063   3.939
   21    HD3  ARG   3           2HD      ARG   3  -9.893  -1.804   2.410
   22    HE   ARG   3           HE       ARG   3  -8.679  -3.324   3.598
   23   HH11  ARG   3          1HH1      ARG   3  -9.297  -0.562   5.625
   24   HH12  ARG   3          2HH1      ARG   3  -8.614  -1.285   7.043
   25   HH21  ARG   3          1HH2      ARG   3  -7.777  -4.288   5.459
   26   HH22  ARG   3          2HH2      ARG   3  -7.749  -3.404   6.948
   27    H    CYS   4           H        CYS   4  -5.530  -1.018  -0.024
   28    HA   CYS   4           HA       CYS   4  -6.282   0.167  -2.591
   29    HB2  CYS   4           1HB      CYS   4  -3.840  -0.038  -3.291
   30    HB3  CYS   4           2HB      CYS   4  -4.255   1.316  -2.228
   31    H    GLY   5           H        GLY   5  -4.845  -1.252  -4.329
   32    HA2  GLY   5           2HA      GLY   5  -4.642  -3.299  -5.349
   33    HA3  GLY   5           3HA      GLY   5  -4.480  -3.989  -3.740
   34    H    ASP   6           H        ASP   6  -5.711  -5.804  -4.244
   35    HA   ASP   6           HA       ASP   6  -8.223  -5.799  -5.467
   36    HB2  ASP   6           1HB      ASP   6  -6.509  -7.713  -4.412
   37    HB3  ASP   6           2HB      ASP   6  -7.958  -7.844  -3.406
   38    HD2  ASP   6           HD       ASP   6  -8.103  -9.178  -7.083
   39    H    GLN   7           H        GLN   7  -7.275  -4.840  -2.308
   40    HA   GLN   7           HA       GLN   7  -9.876  -5.149  -1.110
   41    HB2  GLN   7           1HB      GLN   7  -7.279  -3.904  -0.238
   42    HB3  GLN   7           2HB      GLN   7  -8.762  -3.674   0.702
   43    HG2  GLN   7           1HG      GLN   7  -7.436  -5.493   1.611
   44    HG3  GLN   7           2HG      GLN   7  -8.980  -6.083   0.980
   45   HE21  GLN   7          1HE2      GLN   7  -9.014  -7.348  -0.873
   46   HE22  GLN   7          2HE2      GLN   7  -7.591  -8.104  -1.498
   47    H    ALA   8           H        ALA   8  -8.734  -3.085  -3.379
   48    HA   ALA   8           HA       ALA   8 -10.728  -1.056  -2.669
   49    HB1  ALA   8           1HB      ALA   8  -7.945  -0.391  -3.623
   50    HB2  ALA   8           2HB      ALA   8  -9.238   0.757  -3.275
   51    HB3  ALA   8           3HB      ALA   8  -8.533  -0.197  -1.971
   52    H    ARG   9           H        ARG   9 -10.831  -3.242  -4.537
   53    HA   ARG   9           HA       ARG   9 -11.473  -3.693  -6.673
   54    HB2  ARG   9           1HB      ARG   9 -12.989  -1.717  -6.056
   55    HB3  ARG   9           2HB      ARG   9 -11.899  -0.737  -7.045
   56    HG2  ARG   9           1HG      ARG   9 -12.761  -1.481  -8.967
   57    HG3  ARG   9           2HG      ARG   9 -12.818  -3.154  -8.391
   58    HD2  ARG   9           1HD      ARG   9 -15.071  -2.580  -8.721
   59    HD3  ARG   9           2HD      ARG   9 -14.815  -2.428  -6.977
   60    HE   ARG   9           HE       ARG   9 -14.331   0.072  -8.095
   61   HH11  ARG   9          1HH1      ARG   9 -16.987  -2.149  -7.733
   62   HH12  ARG   9          2HH1      ARG   9 -18.194  -0.907  -7.714
   63   HH21  ARG   9          1HH2      ARG   9 -15.910   1.716  -8.071
   64   HH22  ARG   9          2HH2      ARG   9 -17.581   1.292  -7.907
   65    H    GLY  10           H        GLY  10  -8.672  -3.060  -6.111
   66    HA2  GLY  10           2HA      GLY  10  -6.776  -3.120  -7.444
   67    HA3  GLY  10           3HA      GLY  10  -7.791  -2.826  -8.848
   68    H    ALA  11           H        ALA  11  -8.013  -0.721  -6.103
   69    HA   ALA  11           HA       ALA  11  -7.241   1.534  -7.705
   70    HB1  ALA  11           1HB      ALA  11  -7.844   1.462  -4.753
   71    HB2  ALA  11           2HB      ALA  11  -7.846   2.876  -5.807
   72    HB3  ALA  11           3HB      ALA  11  -9.062   1.617  -6.020
   73    H    LYS  12           H        LYS  12  -5.413   2.761  -7.579
   74    HA   LYS  12           HA       LYS  12  -3.175   1.580  -6.099
   75    HB2  LYS  12           1HB      LYS  12  -3.289   3.494  -8.437
   76    HB3  LYS  12           2HB      LYS  12  -1.789   3.081  -7.593
   77    HG2  LYS  12           1HG      LYS  12  -2.572   0.610  -8.110
   78    HG3  LYS  12           2HG      LYS  12  -3.460   1.428  -9.408
   79    HD2  LYS  12           1HD      LYS  12  -1.590   1.910 -10.577
   80    HD3  LYS  12           2HD      LYS  12  -0.659   2.273  -9.112
   81    HE2  LYS  12           1HE      LYS  12   0.131   0.161  -8.915
   82    HE3  LYS  12           2HE      LYS  12  -1.389  -0.557  -9.471
   83    HZ1  LYS  12           3HZ      LYS  12  -0.153   0.842 -11.594
   84    HZ2  LYS  12           1HZ      LYS  12  -0.547  -0.801 -11.489
   85    HZ3  LYS  12           2HZ      LYS  12   0.947  -0.252 -10.919
   86    H    CYS  13           H        CYS  13  -1.620   3.026  -5.068
   87    HA   CYS  13           HA       CYS  13  -2.980   5.316  -3.826
   88    HB2  CYS  13           1HB      CYS  13  -0.836   3.435  -2.900
   89    HB3  CYS  13           2HB      CYS  13  -1.008   5.027  -2.143
   90    HA   PRO  14           HA       PRO  14  -0.202   8.241  -5.550
   91    HB2  PRO  14           1HB      PRO  14   0.133  10.004  -3.482
   92    HB3  PRO  14           2HB      PRO  14  -1.360   9.862  -4.407
   93    HG2  PRO  14           1HG      PRO  14  -0.638   8.644  -1.763
   94    HG3  PRO  14           2HG      PRO  14  -2.161   9.476  -2.258
   95    HD2  PRO  14           1HD      PRO  14  -1.946   6.773  -2.123
   96    HD3  PRO  14           2HD      PRO  14  -2.958   7.593  -3.323
   97    H    ASN  15           H        ASN  15   1.864   9.598  -4.812
   98    HA   ASN  15           HA       ASN  15   3.886   7.631  -4.251
   99    HB2  ASN  15           1HB      ASN  15   4.174  10.624  -4.638
  100    HB3  ASN  15           2HB      ASN  15   5.475   9.427  -4.702
  101   HD21  ASN  15          1HD2      ASN  15   3.701  11.317  -6.589
  102   HD22  ASN  15          2HD2      ASN  15   3.636  10.369  -8.032
  103    H    CYS  16           H        CYS  16   5.730   8.318  -2.726
  104    HA   CYS  16           HA       CYS  16   6.476   8.704  -0.611
  105    HB2  CYS  16           1HB      CYS  16   5.466  10.993  -1.163
  106    HB3  CYS  16           2HB      CYS  16   4.093  10.492  -0.163
  107    H    LEU  17           H        LEU  17   4.047   6.875  -1.348
  108    HA   LEU  17           HA       LEU  17   3.500   6.115   1.437
  109    HB2  LEU  17           1HB      LEU  17   1.594   7.369   0.236
  110    HB3  LEU  17           2HB      LEU  17   1.411   5.876  -0.700
  111    HG   LEU  17           HG       LEU  17   1.075   4.673   1.492
  112   HD11  LEU  17          1HD1      LEU  17   2.043   6.270   3.004
  113   HD12  LEU  17          2HD1      LEU  17   0.331   6.091   3.383
  114   HD13  LEU  17          3HD1      LEU  17   0.893   7.507   2.498
  115   HD21  LEU  17          3HD2      LEU  17  -1.250   5.295   1.651
  116   HD22  LEU  17          1HD2      LEU  17  -0.758   5.300  -0.043
  117   HD23  LEU  17          2HD2      LEU  17  -0.933   6.823   0.829
  118    H    CYS  18           H        CYS  18   2.831   3.859   1.684
  119    HA   CYS  18           HA       CYS  18   3.867   2.151  -0.483
  120    HB2  CYS  18           1HB      CYS  18   4.065   1.670   2.496
  121    HB3  CYS  18           2HB      CYS  18   4.688   0.600   1.229
  122    H    CYS  19           H        CYS  19   2.641   0.460  -1.111
  123    HA   CYS  19           HA       CYS  19   0.036   0.153   0.203
  124    HB2  CYS  19           1HB      CYS  19   0.081   0.721  -2.209
  125    HB3  CYS  19           2HB      CYS  19   0.914  -0.810  -2.528
  126    H    GLY  20           H        GLY  20   0.032  -1.402   1.697
  127    HA2  GLY  20           2HA      GLY  20   1.846  -3.571   1.763
  128    HA3  GLY  20           3HA      GLY  20   0.391  -3.418   2.736
  129    H    LYS  21           H        LYS  21   1.722  -5.640   1.083
  130    HA   LYS  21           HA       LYS  21   0.306  -6.396  -1.120
  131    HB2  LYS  21           1HB      LYS  21   2.181  -7.681  -0.204
  132    HB3  LYS  21           2HB      LYS  21   1.169  -8.194   1.154
  133    HG2  LYS  21           1HG      LYS  21  -0.100  -9.630  -0.139
  134    HG3  LYS  21           2HG      LYS  21   0.312  -8.787  -1.644
  135    HD2  LYS  21           1HD      LYS  21   2.642  -9.593  -1.439
  136    HD3  LYS  21           2HD      LYS  21   2.171 -10.494   0.013
  137    HE2  LYS  21           1HE      LYS  21   1.980 -12.149  -1.570
  138    HE3  LYS  21           2HE      LYS  21   0.337 -11.491  -1.583
  139    HZ1  LYS  21           3HZ      LYS  21   0.581 -10.688  -3.647
  140    HZ2  LYS  21           1HZ      LYS  21   1.843 -11.809  -3.767
  141    HZ3  LYS  21           2HZ      LYS  21   2.179 -10.194  -3.398
  142    H    TYR  22           H        TYR  22  -0.784  -6.385   2.195
  143    HA   TYR  22           HA       TYR  22  -3.182  -7.893   1.622
  144    HB2  TYR  22           1HB      TYR  22  -2.367  -6.340   4.094
  145    HB3  TYR  22           2HB      TYR  22  -3.764  -7.410   3.974
  146    HD1  TYR  22           2HD      TYR  22  -2.991  -9.824   2.831
  147    HD2  TYR  22           1HD      TYR  22  -0.632  -7.283   5.296
  148    HE1  TYR  22           2HE      TYR  22  -1.610 -11.752   3.487
  149    HE2  TYR  22           1HE      TYR  22   0.757  -9.202   5.958
  150    HH   TYR  22           HH       TYR  22   1.030 -11.407   5.832
  151    H    GLY  23           H        GLY  23  -2.881  -5.595  -0.006
  152    HA2  GLY  23           2HA      GLY  23  -3.983  -3.690  -0.686
  153    HA3  GLY  23           3HA      GLY  23  -5.395  -4.519  -0.050
  154    H    PHE  24           H        PHE  24  -2.586  -3.214   1.678
  155    HA   PHE  24           HA       PHE  24  -4.371  -1.268   2.971
  156    HB2  PHE  24           1HB      PHE  24  -3.911  -3.310   4.400
  157    HB3  PHE  24           2HB      PHE  24  -2.222  -2.802   4.438
  158    HD1  PHE  24           2HD      PHE  24  -1.662  -0.515   5.379
  159    HD2  PHE  24           1HD      PHE  24  -5.451  -2.381   5.903
  160    HE1  PHE  24           2HE      PHE  24  -2.125   0.970   7.283
  161    HE2  PHE  24           1HE      PHE  24  -5.921  -0.898   7.809
  162    HZ   PHE  24           HZ       PHE  24  -4.257   0.779   8.503
  163    H    CYS  25           H        CYS  25  -3.651   0.617   2.194
  164    HA   CYS  25           HA       CYS  25  -0.814   1.064   1.766
  165    HB2  CYS  25           1HB      CYS  25  -3.322   2.585   1.147
  166    HB3  CYS  25           2HB      CYS  25  -1.751   3.399   1.073
  167    H    GLY  26           H        GLY  26   0.493   1.945   3.223
  168    HA2  GLY  26           2HA      GLY  26  -0.561   3.908   5.117
  169    HA3  GLY  26           3HA      GLY  26   0.155   2.451   5.792
  170    H    SER  27           H        SER  27   1.685   3.860   6.837
  171    HA   SER  27           HA       SER  27   3.906   4.561   5.045
  172    HB2  SER  27           1HB      SER  27   2.564   6.596   5.769
  173    HB3  SER  27           2HB      SER  27   3.120   6.260   7.417
  174    HG   SER  27           HG       SER  27   4.450   7.772   6.231
  175    H    GLY  28           H        GLY  28   5.813   5.312   6.740
  176    HA2  GLY  28           2HA      GLY  28   7.287   4.629   8.377
  177    HA3  GLY  28           3HA      GLY  28   5.975   3.715   9.107
  178    H    ASP  29           H        ASP  29   8.643   2.814   8.935
  179    HA   ASP  29           HA       ASP  29   9.106   1.090   6.758
  180    HB2  ASP  29           1HB      ASP  29  10.676  -0.084   8.392
  181    HB3  ASP  29           2HB      ASP  29  10.976   1.634   8.099
  182    HD2  ASP  29           HD       ASP  29   9.967   2.489  11.344
  183    H    ALA  30           H        ALA  30   6.948   0.866   9.380
  184    HA   ALA  30           HA       ALA  30   6.806  -1.904   9.784
  185    HB1  ALA  30           1HB      ALA  30   4.384  -1.347  10.457
  186    HB2  ALA  30           2HB      ALA  30   5.701  -0.618  11.377
  187    HB3  ALA  30           3HB      ALA  30   4.845   0.330  10.161
  188    H    TYR  31           H        TYR  31   5.446   0.152   7.299
  189    HA   TYR  31           HA       TYR  31   4.264  -2.236   6.038
  190    HB2  TYR  31           1HB      TYR  31   3.365   0.652   5.844
  191    HB3  TYR  31           2HB      TYR  31   2.669  -0.687   4.927
  192    HD1  TYR  31           1HD      TYR  31   2.338  -2.829   6.800
  193    HD2  TYR  31           2HD      TYR  31   1.808   1.347   7.420
  194    HE1  TYR  31           1HE      TYR  31   0.767  -3.306   8.631
  195    HE2  TYR  31           2HE      TYR  31   0.236   0.881   9.253
  196    HH   TYR  31           HH       TYR  31  -0.305  -0.902  10.806
  197    H    CYS  32           H        CYS  32   6.507   0.316   5.775
  198    HA   CYS  32           HA       CYS  32   6.689   0.167   2.875
  199    HB2  CYS  32           1HB      CYS  32   7.985   1.843   4.999
  200    HB3  CYS  32           2HB      CYS  32   8.680   1.778   3.371
  201    H    GLY  33           H        GLY  33   8.221  -1.141   5.686
  202    HA2  GLY  33           2HA      GLY  33  10.751  -1.777   4.679
  203    HA3  GLY  33           3HA      GLY  33   9.915  -2.666   5.944
  204    H    ALA  34           H        ALA  34  11.576  -3.941   4.136
  205    HA   ALA  34           HA       ALA  34  10.020  -5.080   1.998
  206    HB1  ALA  34           1HB      ALA  34  12.196  -6.703   2.229
  207    HB2  ALA  34           2HB      ALA  34  12.134  -5.222   1.273
  208    HB3  ALA  34           3HB      ALA  34  12.800  -5.190   2.906
  209    H    GLY  35           H        GLY  35   8.456  -6.501   2.403
  210    HA2  GLY  35           2HA      GLY  35   8.668  -9.030   3.270
  211    HA3  GLY  35           3HA      GLY  35   8.536  -8.155   4.789
  212    H    SER  36           H        SER  36   6.784  -6.131   3.374
  213    HA   SER  36           HA       SER  36   4.365  -7.732   2.971
  214    HB2  SER  36           1HB      SER  36   4.329  -7.149   5.339
  215    HB3  SER  36           2HB      SER  36   4.593  -5.441   4.938
  216    HG   SER  36           HG       SER  36   2.340  -6.983   4.153
  217    H    CYS  37           H        CYS  37   6.336  -5.733   1.576
  218    HA   CYS  37           HA       CYS  37   4.452  -3.715   0.655
  219    HB2  CYS  37           1HB      CYS  37   6.902  -3.272   1.175
  220    HB3  CYS  37           2HB      CYS  37   7.273  -4.135  -0.327
  221    H    GLN  38           H        GLN  38   3.470  -3.692  -1.292
  222    HA   GLN  38           HA       GLN  38   4.171  -5.805  -3.216
  223    HB2  GLN  38           1HB      GLN  38   2.176  -6.540  -2.077
  224    HB3  GLN  38           2HB      GLN  38   1.404  -4.968  -2.341
  225    HG2  GLN  38           1HG      GLN  38   2.169  -5.930  -4.882
  226    HG3  GLN  38           2HG      GLN  38   1.406  -7.273  -4.019
  227   HE21  GLN  38          1HE2      GLN  38  -0.647  -6.590  -2.811
  228   HE22  GLN  38          2HE2      GLN  38  -1.750  -5.608  -3.705
  229    H    SER  39           H        SER  39   2.345  -2.779  -2.792
  230    HA   SER  39           HA       SER  39   3.243  -1.978  -5.480
  231    HB2  SER  39           1HB      SER  39   0.961  -2.338  -5.841
  232    HB3  SER  39           2HB      SER  39   0.523  -1.758  -4.224
  233    HG   SER  39           HG       SER  39   0.056  -0.015  -5.346
  234    H    GLN  40           H        GLN  40   3.483   0.316  -5.808
  235    HA   GLN  40           HA       GLN  40   4.380   2.328  -5.236
  236    HB2  GLN  40           1HB      GLN  40   2.277   1.897  -3.134
  237    HB3  GLN  40           2HB      GLN  40   3.311   3.334  -3.086
  238    HG2  GLN  40           1HG      GLN  40   1.637   4.220  -4.307
  239    HG3  GLN  40           2HG      GLN  40   2.536   3.471  -5.633
  240   HE21  GLN  40          1HE2      GLN  40   0.964   2.925  -7.010
  241   HE22  GLN  40          2HE2      GLN  40  -0.364   1.885  -6.636
  242    H    CYS  41           H        CYS  41   6.044   0.286  -4.604
  243    HA   CYS  41           HA       CYS  41   6.916   0.478  -1.861
  244    HB2  CYS  41           1HB      CYS  41   7.982  -0.940  -4.297
  245    HB3  CYS  41           2HB      CYS  41   8.840  -0.952  -2.747
  246    H    ARG  42           H        ARG  42   7.068   2.935  -2.264
  247    HA   ARG  42           HA       ARG  42   9.839   3.608  -2.341
  248    HB2  ARG  42           1HB      ARG  42   9.121   3.459  -4.801
  249    HB3  ARG  42           2HB      ARG  42   8.179   4.923  -4.481
  250    HG2  ARG  42           1HG      ARG  42   9.980   6.254  -4.500
  251    HG3  ARG  42           2HG      ARG  42  10.964   5.085  -3.603
  252    HD2  ARG  42           1HD      ARG  42  11.652   3.971  -5.513
  253    HD3  ARG  42           2HD      ARG  42  10.243   4.506  -6.439
  254    HE   ARG  42           HE       ARG  42  12.743   5.866  -6.185
  255   HH11  ARG  42          1HH1      ARG  42   9.326   6.320  -6.670
  256   HH12  ARG  42          2HH1      ARG  42   9.512   7.830  -7.498
  257   HH21  ARG  42          1HH2      ARG  42  13.001   7.853  -7.273
  258   HH22  ARG  42          2HH2      ARG  42  11.603   8.702  -7.841
  259    H    GLY  43           H        GLY  43   7.375   3.858  -0.686
  260    HA2  GLY  43           2HA      GLY  43   6.612   6.603  -0.620
  261    HA3  GLY  43           3HA      GLY  43   6.302   5.410   0.633
  262    H    CYS  44           H        CYS  44   6.777   7.694   1.693
  263    HA   CYS  44           HA       CYS  44   9.642   8.046   2.146
  264    HB2  CYS  44           1HB      CYS  44   7.393   9.691   3.302
  265    HB3  CYS  44           2HB      CYS  44   9.097  10.146   3.142
  Start of MODEL   12
    1    H1   ALA   1           H        ALA   1  -3.258   5.771   6.048
    2    HA   ALA   1           HA       ALA   1  -4.251   3.750   6.644
    3    HB1  ALA   1           1HB      ALA   1  -5.161   5.128   8.682
    4    HB2  ALA   1           2HB      ALA   1  -6.664   5.094   7.760
    5    HB3  ALA   1           3HB      ALA   1  -5.889   3.585   8.240
    6    H    GLN   2           H        GLN   2  -4.434   3.521   4.383
    7    HA   GLN   2           HA       GLN   2  -7.190   3.765   3.414
    8    HB2  GLN   2           1HB      GLN   2  -6.206   4.396   1.145
    9    HB3  GLN   2           2HB      GLN   2  -6.219   5.651   2.393
   10    HG2  GLN   2           1HG      GLN   2  -3.772   4.041   2.358
   11    HG3  GLN   2           2HG      GLN   2  -4.066   4.956   0.872
   12   HE21  GLN   2          1HE2      GLN   2  -3.991   7.176   0.903
   13   HE22  GLN   2          2HE2      GLN   2  -3.391   8.078   2.248
   14    H    ARG   3           H        ARG   3  -7.820   2.208   1.910
   15    HA   ARG   3           HA       ARG   3  -6.098  -0.157   1.857
   16    HB2  ARG   3           1HB      ARG   3  -9.040   0.226   1.276
   17    HB3  ARG   3           2HB      ARG   3  -8.189  -1.310   1.065
   18    HG2  ARG   3           1HG      ARG   3  -9.151  -1.561   3.149
   19    HG3  ARG   3           2HG      ARG   3  -7.513  -1.011   3.541
   20    HD2  ARG   3           1HD      ARG   3  -9.318   1.229   3.134
   21    HD3  ARG   3           2HD      ARG   3  -9.903   0.129   4.390
   22    HE   ARG   3           HE       ARG   3  -7.120   0.830   4.645
   23   HH11  ARG   3          1HH1      ARG   3 -10.397   1.693   5.444
   24   HH12  ARG   3          2HH1      ARG   3  -9.950   2.617   6.840
   25   HH21  ARG   3          1HH2      ARG   3  -6.520   2.045   6.480
   26   HH22  ARG   3          2HH2      ARG   3  -7.746   2.819   7.427
   27    H    CYS   4           H        CYS   4  -5.502  -1.196  -0.027
   28    HA   CYS   4           HA       CYS   4  -6.259   0.022  -2.577
   29    HB2  CYS   4           1HB      CYS   4  -3.812  -0.160  -3.274
   30    HB3  CYS   4           2HB      CYS   4  -4.245   1.183  -2.200
   31    H    GLY   5           H        GLY   5  -4.812  -1.359  -4.335
   32    HA2  GLY   5           2HA      GLY   5  -4.577  -3.391  -5.379
   33    HA3  GLY   5           3HA      GLY   5  -4.432  -4.104  -3.780
   34    H    ASP   6           H        ASP   6  -5.651  -5.915  -4.321
   35    HA   ASP   6           HA       ASP   6  -8.146  -5.903  -5.577
   36    HB2  ASP   6           1HB      ASP   6  -6.440  -7.829  -4.549
   37    HB3  ASP   6           2HB      ASP   6  -7.878  -7.971  -3.530
   38    HD2  ASP   6           HD       ASP   6  -9.330  -9.838  -5.990
   39    H    GLN   7           H        GLN   7  -7.243  -4.991  -2.390
   40    HA   GLN   7           HA       GLN   7  -9.858  -5.321  -1.232
   41    HB2  GLN   7           1HB      GLN   7  -7.260  -4.125  -0.315
   42    HB3  GLN   7           2HB      GLN   7  -8.750  -3.836   0.599
   43    HG2  GLN   7           1HG      GLN   7  -7.403  -5.713   1.479
   44    HG3  GLN   7           2HG      GLN   7  -9.042  -6.174   1.000
   45   HE21  GLN   7          1HE2      GLN   7  -5.725  -6.733   0.572
   46   HE22  GLN   7          2HE2      GLN   7  -5.840  -7.911  -0.686
   47    H    ALA   8           H        ALA   8  -8.691  -3.222  -3.455
   48    HA   ALA   8           HA       ALA   8 -10.696  -1.204  -2.737
   49    HB1  ALA   8           1HB      ALA   8  -7.982  -0.432  -3.781
   50    HB2  ALA   8           2HB      ALA   8  -9.250   0.624  -3.155
   51    HB3  ALA   8           3HB      ALA   8  -8.383  -0.457  -2.063
   52    H    ARG   9           H        ARG   9 -10.771  -3.375  -4.635
   53    HA   ARG   9           HA       ARG   9 -11.409  -3.800  -6.776
   54    HB2  ARG   9           1HB      ARG   9 -12.909  -1.803  -6.133
   55    HB3  ARG   9           2HB      ARG   9 -11.825  -0.846  -7.154
   56    HG2  ARG   9           1HG      ARG   9 -12.703  -1.629  -9.057
   57    HG3  ARG   9           2HG      ARG   9 -12.805  -3.284  -8.432
   58    HD2  ARG   9           1HD      ARG   9 -14.958  -3.056  -7.832
   59    HD3  ARG   9           2HD      ARG   9 -14.669  -1.455  -7.135
   60    HE   ARG   9           HE       ARG   9 -14.654  -1.418  -9.995
   61   HH11  ARG   9          1HH1      ARG   9 -16.703  -1.399  -7.180
   62   HH12  ARG   9          2HH1      ARG   9 -18.017  -0.604  -7.981
   63   HH21  ARG   9          1HH2      ARG   9 -16.377  -0.371 -11.061
   64   HH22  ARG   9          2HH2      ARG   9 -17.831  -0.021 -10.189
   65    H    GLY  10           H        GLY  10  -8.611  -3.183  -6.193
   66    HA2  GLY  10           2HA      GLY  10  -6.707  -3.229  -7.517
   67    HA3  GLY  10           3HA      GLY  10  -7.714  -2.912  -8.922
   68    H    ALA  11           H        ALA  11  -7.979  -0.835  -6.169
   69    HA   ALA  11           HA       ALA  11  -7.166   1.433  -7.732
   70    HB1  ALA  11           1HB      ALA  11  -9.022   1.502  -6.083
   71    HB2  ALA  11           2HB      ALA  11  -7.829   1.338  -4.794
   72    HB3  ALA  11           3HB      ALA  11  -7.809   2.759  -5.838
   73    H    LYS  12           H        LYS  12  -5.335   2.645  -7.569
   74    HA   LYS  12           HA       LYS  12  -3.133   1.450  -6.045
   75    HB2  LYS  12           1HB      LYS  12  -3.111   3.465  -8.306
   76    HB3  LYS  12           2HB      LYS  12  -1.671   2.813  -7.509
   77    HG2  LYS  12           1HG      LYS  12  -1.981   0.674  -8.403
   78    HG3  LYS  12           2HG      LYS  12  -3.667   1.011  -8.830
   79    HD2  LYS  12           1HD      LYS  12  -1.686   2.804 -10.078
   80    HD3  LYS  12           2HD      LYS  12  -1.596   1.107 -10.580
   81    HE2  LYS  12           1HE      LYS  12  -4.225   1.387 -10.789
   82    HE3  LYS  12           2HE      LYS  12  -3.783   3.090 -10.965
   83    HZ1  LYS  12           3HZ      LYS  12  -3.871   2.116 -13.119
   84    HZ2  LYS  12           1HZ      LYS  12  -2.869   0.832 -12.659
   85    HZ3  LYS  12           2HZ      LYS  12  -2.241   2.398 -12.763
   86    H    CYS  13           H        CYS  13  -1.577   2.906  -5.004
   87    HA   CYS  13           HA       CYS  13  -2.964   5.181  -3.761
   88    HB2  CYS  13           1HB      CYS  13  -0.810   3.312  -2.831
   89    HB3  CYS  13           2HB      CYS  13  -0.999   4.899  -2.068
   90    HA   PRO  14           HA       PRO  14  -0.197   8.134  -5.456
   91    HB2  PRO  14           1HB      PRO  14   0.113   9.892  -3.376
   92    HB3  PRO  14           2HB      PRO  14  -1.374   9.742  -4.312
   93    HG2  PRO  14           1HG      PRO  14  -0.660   8.517  -1.668
   94    HG3  PRO  14           2HG      PRO  14  -2.184   9.339  -2.170
   95    HD2  PRO  14           1HD      PRO  14  -1.949   6.637  -2.046
   96    HD3  PRO  14           2HD      PRO  14  -2.961   7.456  -3.248
   97    H    ASN  15           H        ASN  15   1.855   9.502  -4.701
   98    HA   ASN  15           HA       ASN  15   3.889   7.550  -4.138
   99    HB2  ASN  15           1HB      ASN  15   4.007  10.528  -4.670
  100    HB3  ASN  15           2HB      ASN  15   5.437   9.519  -4.416
  101   HD21  ASN  15          1HD2      ASN  15   5.098   7.327  -5.794
  102   HD22  ASN  15          2HD2      ASN  15   4.840   7.641  -7.473
  103    H    CYS  16           H        CYS  16   5.717   8.237  -2.596
  104    HA   CYS  16           HA       CYS  16   6.447   8.615  -0.475
  105    HB2  CYS  16           1HB      CYS  16   5.427  10.899  -1.019
  106    HB3  CYS  16           2HB      CYS  16   4.050  10.384  -0.029
  107    H    LEU  17           H        LEU  17   4.033   6.775  -1.238
  108    HA   LEU  17           HA       LEU  17   3.473   5.994   1.537
  109    HB2  LEU  17           1HB      LEU  17   1.566   7.245   0.332
  110    HB3  LEU  17           2HB      LEU  17   1.400   5.755  -0.616
  111    HG   LEU  17           HG       LEU  17   1.051   4.534   1.562
  112   HD11  LEU  17          1HD1      LEU  17   0.450   5.794   3.515
  113   HD12  LEU  17          2HD1      LEU  17   0.664   7.317   2.651
  114   HD13  LEU  17          3HD1      LEU  17   2.060   6.292   2.990
  115   HD21  LEU  17          3HD2      LEU  17  -0.904   6.675   0.736
  116   HD22  LEU  17          1HD2      LEU  17  -1.290   5.321   1.798
  117   HD23  LEU  17          2HD2      LEU  17  -0.814   5.022   0.126
  118    H    CYS  18           H        CYS  18   2.812   3.733   1.765
  119    HA   CYS  18           HA       CYS  18   3.874   2.044  -0.405
  120    HB2  CYS  18           1HB      CYS  18   4.054   1.545   2.573
  121    HB3  CYS  18           2HB      CYS  18   4.693   0.488   1.303
  122    H    CYS  19           H        CYS  19   2.662   0.352  -1.053
  123    HA   CYS  19           HA       CYS  19   0.051   0.017   0.245
  124    HB2  CYS  19           1HB      CYS  19   0.103   0.613  -2.161
  125    HB3  CYS  19           2HB      CYS  19   0.944  -0.911  -2.492
  126    H    GLY  20           H        GLY  20   0.041  -1.559   1.716
  127    HA2  GLY  20           2HA      GLY  20   1.872  -3.718   1.764
  128    HA3  GLY  20           3HA      GLY  20   0.413  -3.583   2.735
  129    H    LYS  21           H        LYS  21   1.760  -5.779   1.061
  130    HA   LYS  21           HA       LYS  21   0.354  -6.517  -1.154
  131    HB2  LYS  21           1HB      LYS  21   2.246  -7.783  -0.175
  132    HB3  LYS  21           2HB      LYS  21   1.158  -8.380   1.088
  133    HG2  LYS  21           1HG      LYS  21  -0.216  -9.494  -0.608
  134    HG3  LYS  21           2HG      LYS  21   0.890  -8.911  -1.865
  135    HD2  LYS  21           1HD      LYS  21   2.749 -10.123  -0.721
  136    HD3  LYS  21           2HD      LYS  21   1.549 -10.801   0.393
  137    HE2  LYS  21           1HE      LYS  21   0.766 -12.277  -1.127
  138    HE3  LYS  21           2HE      LYS  21   0.885 -11.108  -2.450
  139    HZ1  LYS  21           3HZ      LYS  21   2.457 -12.711  -2.973
  140    HZ2  LYS  21           1HZ      LYS  21   2.983 -12.883  -1.374
  141    HZ3  LYS  21           2HZ      LYS  21   3.390 -11.497  -2.253
  142    H    TYR  22           H        TYR  22  -0.745  -6.551   2.157
  143    HA   TYR  22           HA       TYR  22  -3.137  -8.060   1.558
  144    HB2  TYR  22           1HB      TYR  22  -2.562  -6.479   4.069
  145    HB3  TYR  22           2HB      TYR  22  -3.673  -7.836   3.876
  146    HD1  TYR  22           2HD      TYR  22  -2.323  -9.980   2.724
  147    HD2  TYR  22           1HD      TYR  22  -0.707  -7.034   5.333
  148    HE1  TYR  22           2HE      TYR  22  -0.564 -11.558   3.406
  149    HE2  TYR  22           1HE      TYR  22   1.059  -8.602   6.021
  150    HH   TYR  22           HH       TYR  22   1.632 -10.841   6.027
  151    H    GLY  23           H        GLY  23  -2.842  -5.742  -0.039
  152    HA2  GLY  23           2HA      GLY  23  -3.948  -3.833  -0.697
  153    HA3  GLY  23           3HA      GLY  23  -5.360  -4.674  -0.073
  154    H    PHE  24           H        PHE  24  -2.558  -3.385   1.677
  155    HA   PHE  24           HA       PHE  24  -4.354  -1.464   2.997
  156    HB2  PHE  24           1HB      PHE  24  -3.810  -3.569   4.364
  157    HB3  PHE  24           2HB      PHE  24  -2.171  -2.923   4.475
  158    HD1  PHE  24           2HD      PHE  24  -5.694  -2.237   5.340
  159    HD2  PHE  24           1HD      PHE  24  -1.617  -1.192   5.974
  160    HE1  PHE  24           2HE      PHE  24  -6.353  -0.845   7.258
  161    HE2  PHE  24           1HE      PHE  24  -2.270   0.202   7.893
  162    HZ   PHE  24           HZ       PHE  24  -4.640   0.377   8.536
  163    H    CYS  25           H        CYS  25  -3.648   0.433   2.228
  164    HA   CYS  25           HA       CYS  25  -0.813   0.906   1.813
  165    HB2  CYS  25           1HB      CYS  25  -3.333   2.410   1.195
  166    HB3  CYS  25           2HB      CYS  25  -1.767   3.237   1.132
  167    H    GLY  26           H        GLY  26   0.482   1.787   3.281
  168    HA2  GLY  26           2HA      GLY  26  -0.594   3.729   5.184
  169    HA3  GLY  26           3HA      GLY  26   0.127   2.273   5.852
  170    H    SER  27           H        SER  27   1.644   3.683   6.914
  171    HA   SER  27           HA       SER  27   3.867   4.413   5.137
  172    HB2  SER  27           1HB      SER  27   2.508   6.434   5.874
  173    HB3  SER  27           2HB      SER  27   3.063   6.086   7.520
  174    HG   SER  27           HG       SER  27   4.688   6.679   5.269
  175    H    GLY  28           H        GLY  28   5.763   5.160   6.846
  176    HA2  GLY  28           2HA      GLY  28   7.237   4.473   8.481
  177    HA3  GLY  28           3HA      GLY  28   5.926   3.548   9.200
  178    H    ASP  29           H        ASP  29   8.600   2.661   9.030
  179    HA   ASP  29           HA       ASP  29   9.080   0.954   6.844
  180    HB2  ASP  29           1HB      ASP  29  10.211   1.364   9.543
  181    HB3  ASP  29           2HB      ASP  29  10.440  -0.254   8.868
  182    HD2  ASP  29           HD       ASP  29  12.974   0.863   6.879
  183    H    ALA  30           H        ALA  30   6.914   0.701   9.459
  184    HA   ALA  30           HA       ALA  30   6.781  -2.069   9.845
  185    HB1  ALA  30           1HB      ALA  30   5.549  -1.082  11.452
  186    HB2  ALA  30           2HB      ALA  30   5.034   0.236  10.399
  187    HB3  ALA  30           3HB      ALA  30   4.232  -1.332  10.306
  188    H    TYR  31           H        TYR  31   5.418  -0.007   7.364
  189    HA   TYR  31           HA       TYR  31   4.265  -2.396   6.080
  190    HB2  TYR  31           1HB      TYR  31   3.340   0.483   5.915
  191    HB3  TYR  31           2HB      TYR  31   2.669  -0.844   4.965
  192    HD1  TYR  31           1HD      TYR  31   1.632  -2.822   6.231
  193    HD2  TYR  31           2HD      TYR  31   2.463   0.934   8.048
  194    HE1  TYR  31           1HE      TYR  31   0.041  -3.349   8.031
  195    HE2  TYR  31           2HE      TYR  31   0.875   0.418   9.855
  196    HH   TYR  31           HH       TYR  31  -0.497  -1.094  10.724
  197    H    CYS  32           H        CYS  32   6.492   0.170   5.850
  198    HA   CYS  32           HA       CYS  32   6.687   0.050   2.949
  199    HB2  CYS  32           1HB      CYS  32   7.965   1.709   5.096
  200    HB3  CYS  32           2HB      CYS  32   8.668   1.666   3.471
  201    H    GLY  33           H        GLY  33   8.208  -1.285   5.752
  202    HA2  GLY  33           2HA      GLY  33  10.747  -1.895   4.755
  203    HA3  GLY  33           3HA      GLY  33   9.907  -2.806   6.000
  204    H    ALA  34           H        ALA  34  11.589  -4.040   4.179
  205    HA   ALA  34           HA       ALA  34  10.050  -5.160   2.018
  206    HB1  ALA  34           1HB      ALA  34  12.810  -5.646   3.085
  207    HB2  ALA  34           2HB      ALA  34  12.104  -6.687   1.850
  208    HB3  ALA  34           3HB      ALA  34  12.325  -4.966   1.532
  209    H    GLY  35           H        GLY  35   8.499  -6.602   2.393
  210    HA2  GLY  35           2HA      GLY  35   8.727  -9.141   3.223
  211    HA3  GLY  35           3HA      GLY  35   8.585  -8.291   4.756
  212    H    SER  36           H        SER  36   6.822  -6.259   3.355
  213    HA   SER  36           HA       SER  36   4.416  -7.874   2.932
  214    HB2  SER  36           1HB      SER  36   4.654  -7.095   5.376
  215    HB3  SER  36           2HB      SER  36   4.336  -5.468   4.746
  216    HG   SER  36           HG       SER  36   2.327  -6.067   5.015
  217    H    CYS  37           H        CYS  37   6.375  -5.850   1.558
  218    HA   CYS  37           HA       CYS  37   4.479  -3.837   0.652
  219    HB2  CYS  37           1HB      CYS  37   6.929  -3.387   1.179
  220    HB3  CYS  37           2HB      CYS  37   7.303  -4.229  -0.334
  221    H    GLN  38           H        GLN  38   3.505  -3.797  -1.300
  222    HA   GLN  38           HA       GLN  38   4.226  -5.885  -3.243
  223    HB2  GLN  38           1HB      GLN  38   2.245  -6.664  -2.116
  224    HB3  GLN  38           2HB      GLN  38   1.449  -5.098  -2.350
  225    HG2  GLN  38           1HG      GLN  38   2.225  -6.020  -4.908
  226    HG3  GLN  38           2HG      GLN  38   1.462  -7.373  -4.061
  227   HE21  GLN  38          1HE2      GLN  38  -0.592  -6.709  -2.847
  228   HE22  GLN  38          2HE2      GLN  38  -1.697  -5.717  -3.731
  229    H    SER  39           H        SER  39   2.374  -2.882  -2.776
  230    HA   SER  39           HA       SER  39   3.244  -2.044  -5.462
  231    HB2  SER  39           1HB      SER  39   0.963  -2.416  -5.808
  232    HB3  SER  39           2HB      SER  39   0.533  -1.860  -4.181
  233    HG   SER  39           HG       SER  39   0.099  -0.385  -6.023
  234    H    GLN  40           H        GLN  40   3.427   0.269  -5.767
  235    HA   GLN  40           HA       GLN  40   4.330   2.276  -5.179
  236    HB2  GLN  40           1HB      GLN  40   2.448   1.912  -2.835
  237    HB3  GLN  40           2HB      GLN  40   3.228   3.436  -3.288
  238    HG2  GLN  40           1HG      GLN  40   1.190   1.885  -4.879
  239    HG3  GLN  40           2HG      GLN  40   0.981   3.457  -4.095
  240   HE21  GLN  40          1HE2      GLN  40   0.535   2.856  -6.844
  241   HE22  GLN  40          2HE2      GLN  40   1.626   3.825  -7.768
  242    H    CYS  41           H        CYS  41   6.004   0.229  -4.563
  243    HA   CYS  41           HA       CYS  41   6.885   0.402  -1.825
  244    HB2  CYS  41           1HB      CYS  41   7.950  -0.981  -4.282
  245    HB3  CYS  41           2HB      CYS  41   8.825  -0.998  -2.739
  246    H    ARG  42           H        ARG  42   7.020   2.863  -2.185
  247    HA   ARG  42           HA       ARG  42   9.786   3.558  -2.273
  248    HB2  ARG  42           1HB      ARG  42   9.068   3.448  -4.725
  249    HB3  ARG  42           2HB      ARG  42   8.087   4.880  -4.380
  250    HG2  ARG  42           1HG      ARG  42  10.494   5.654  -3.380
  251    HG3  ARG  42           2HG      ARG  42  10.983   4.625  -4.737
  252    HD2  ARG  42           1HD      ARG  42   9.309   5.939  -6.149
  253    HD3  ARG  42           2HD      ARG  42   9.250   7.079  -4.797
  254    HE   ARG  42           HE       ARG  42  11.924   6.749  -5.390
  255   HH11  ARG  42          1HH1      ARG  42   9.069   7.862  -7.043
  256   HH12  ARG  42          2HH1      ARG  42   9.932   8.959  -8.068
  257   HH21  ARG  42          1HH2      ARG  42  13.071   8.191  -6.733
  258   HH22  ARG  42          2HH2      ARG  42  12.209   9.145  -7.892
  259    H    GLY  43           H        GLY  43   7.335   3.759  -0.591
  260    HA2  GLY  43           2HA      GLY  43   6.545   6.492  -0.468
  261    HA3  GLY  43           3HA      GLY  43   6.267   5.275   0.770
  262    H    CYS  44           H        CYS  44   6.740   7.592   1.813
  263    HA   CYS  44           HA       CYS  44   9.605   7.949   2.252
  264    HB2  CYS  44           1HB      CYS  44   7.349   9.566   3.433
  265    HB3  CYS  44           2HB      CYS  44   9.050  10.034   3.282
  Start of MODEL   13
    1    H1   ALA   1           H        ALA   1  -2.960   5.672   6.656
    2    HA   ALA   1           HA       ALA   1  -4.228   3.786   6.800
    3    HB1  ALA   1           1HB      ALA   1  -6.487   4.164   8.015
    4    HB2  ALA   1           2HB      ALA   1  -4.980   4.440   8.888
    5    HB3  ALA   1           3HB      ALA   1  -5.890   5.808   8.247
    6    H    GLN   2           H        GLN   2  -4.390   3.697   4.477
    7    HA   GLN   2           HA       GLN   2  -7.163   3.995   3.574
    8    HB2  GLN   2           1HB      GLN   2  -6.229   4.703   1.313
    9    HB3  GLN   2           2HB      GLN   2  -6.184   5.909   2.608
   10    HG2  GLN   2           1HG      GLN   2  -3.756   4.365   2.612
   11    HG3  GLN   2           2HG      GLN   2  -4.063   5.045   1.008
   12   HE21  GLN   2          1HE2      GLN   2  -3.359   5.741   4.324
   13   HE22  GLN   2          2HE2      GLN   2  -3.010   7.421   4.115
   14    H    ARG   3           H        ARG   3  -7.837   2.497   2.029
   15    HA   ARG   3           HA       ARG   3  -6.138   0.121   1.858
   16    HB2  ARG   3           1HB      ARG   3  -9.070   0.470   1.187
   17    HB3  ARG   3           2HB      ARG   3  -8.183  -1.062   1.211
   18    HG2  ARG   3           1HG      ARG   3  -8.206   0.594   3.690
   19    HG3  ARG   3           2HG      ARG   3  -9.667  -0.304   3.245
   20    HD2  ARG   3           1HD      ARG   3  -7.120  -1.809   3.092
   21    HD3  ARG   3           2HD      ARG   3  -7.670  -1.349   4.710
   22    HE   ARG   3           HE       ARG   3  -8.775  -3.376   3.057
   23   HH11  ARG   3          1HH1      ARG   3  -9.625  -0.946   5.400
   24   HH12  ARG   3          2HH1      ARG   3 -11.039  -1.783   5.949
   25   HH21  ARG   3          1HH2      ARG   3 -10.634  -4.489   3.771
   26   HH22  ARG   3          2HH2      ARG   3 -11.612  -3.800   5.022
   27    H    CYS   4           H        CYS   4  -5.575  -0.847  -0.069
   28    HA   CYS   4           HA       CYS   4  -6.377   0.459  -2.562
   29    HB2  CYS   4           1HB      CYS   4  -3.943   0.303  -3.311
   30    HB3  CYS   4           2HB      CYS   4  -4.354   1.604  -2.179
   31    H    GLY   5           H        GLY   5  -4.947  -0.864  -4.387
   32    HA2  GLY   5           2HA      GLY   5  -4.752  -2.857  -5.512
   33    HA3  GLY   5           3HA      GLY   5  -4.556  -3.622  -3.942
   34    H    ASP   6           H        ASP   6  -5.784  -5.421  -4.483
   35    HA   ASP   6           HA       ASP   6  -8.310  -5.391  -5.676
   36    HB2  ASP   6           1HB      ASP   6  -7.141  -7.462  -5.553
   37    HB3  ASP   6           2HB      ASP   6  -7.006  -7.355  -3.793
   38    HD2  ASP   6           HD       ASP   6 -10.220  -8.963  -5.324
   39    H    GLN   7           H        GLN   7  -7.333  -4.520  -2.505
   40    HA   GLN   7           HA       GLN   7  -9.922  -4.892  -1.290
   41    HB2  GLN   7           1HB      GLN   7  -7.357  -3.596  -0.370
   42    HB3  GLN   7           2HB      GLN   7  -8.836  -3.572   0.603
   43    HG2  GLN   7           1HG      GLN   7  -7.826  -6.190  -0.406
   44    HG3  GLN   7           2HG      GLN   7  -7.009  -5.416   0.959
   45   HE21  GLN   7          1HE2      GLN   7  -7.863  -7.574   1.822
   46   HE22  GLN   7          2HE2      GLN   7  -9.399  -7.511   2.609
   47    H    ALA   8           H        ALA   8  -8.837  -2.760  -3.505
   48    HA   ALA   8           HA       ALA   8 -10.816  -0.759  -2.694
   49    HB1  ALA   8           1HB      ALA   8  -8.059  -0.015  -3.662
   50    HB2  ALA   8           2HB      ALA   8  -9.350   1.087  -3.183
   51    HB3  ALA   8           3HB      ALA   8  -8.587   0.049  -1.979
   52    H    ARG   9           H        ARG   9 -10.921  -2.864  -4.651
   53    HA   ARG   9           HA       ARG   9 -11.572  -3.227  -6.799
   54    HB2  ARG   9           1HB      ARG   9 -13.071  -1.259  -6.090
   55    HB3  ARG   9           2HB      ARG   9 -11.989  -0.261  -7.074
   56    HG2  ARG   9           1HG      ARG   9 -12.827  -1.008  -9.020
   57    HG3  ARG   9           2HG      ARG   9 -13.009  -2.663  -8.415
   58    HD2  ARG   9           1HD      ARG   9 -14.921  -1.569  -6.951
   59    HD3  ARG   9           2HD      ARG   9 -14.894  -0.365  -8.247
   60    HE   ARG   9           HE       ARG   9 -15.869  -1.892  -9.645
   61   HH11  ARG   9          1HH1      ARG   9 -14.603  -3.545  -6.855
   62   HH12  ARG   9          2HH1      ARG   9 -15.328  -5.064  -7.264
   63   HH21  ARG   9          1HH2      ARG   9 -16.829  -3.887 -10.194
   64   HH22  ARG   9          2HH2      ARG   9 -16.593  -5.258  -9.163
   65    H    GLY  10           H        GLY  10  -8.770  -2.638  -6.226
   66    HA2  GLY  10           2HA      GLY  10  -6.878  -2.650  -7.569
   67    HA3  GLY  10           3HA      GLY  10  -7.897  -2.283  -8.953
   68    H    ALA  11           H        ALA  11  -8.115  -0.299  -6.125
   69    HA   ALA  11           HA       ALA  11  -7.289   2.010  -7.629
   70    HB1  ALA  11           1HB      ALA  11  -7.953   3.293  -5.717
   71    HB2  ALA  11           2HB      ALA  11  -9.164   2.041  -5.995
   72    HB3  ALA  11           3HB      ALA  11  -7.981   1.850  -4.702
   73    H    LYS  12           H        LYS  12  -5.375   3.024  -7.592
   74    HA   LYS  12           HA       LYS  12  -3.238   1.840  -5.994
   75    HB2  LYS  12           1HB      LYS  12  -3.065   3.935  -8.173
   76    HB3  LYS  12           2HB      LYS  12  -1.715   3.042  -7.455
   77    HG2  LYS  12           1HG      LYS  12  -3.937   1.882  -9.138
   78    HG3  LYS  12           2HG      LYS  12  -2.252   2.133  -9.626
   79    HD2  LYS  12           1HD      LYS  12  -1.815   0.657  -7.438
   80    HD3  LYS  12           2HD      LYS  12  -3.428   0.058  -7.863
   81    HE2  LYS  12           1HE      LYS  12  -2.367  -0.097 -10.284
   82    HE3  LYS  12           2HE      LYS  12  -0.862  -0.170  -9.356
   83    HZ1  LYS  12           3HZ      LYS  12  -2.765  -1.909  -8.209
   84    HZ2  LYS  12           1HZ      LYS  12  -1.257  -2.281  -8.880
   85    HZ3  LYS  12           2HZ      LYS  12  -2.634  -2.242  -9.863
   86    H    CYS  13           H        CYS  13  -1.644   3.278  -4.963
   87    HA   CYS  13           HA       CYS  13  -2.997   5.563  -3.702
   88    HB2  CYS  13           1HB      CYS  13  -0.863   3.664  -2.790
   89    HB3  CYS  13           2HB      CYS  13  -1.029   5.250  -2.018
   90    HA   PRO  14           HA       PRO  14  -0.203   8.490  -5.398
   91    HB2  PRO  14           1HB      PRO  14   0.135  10.235  -3.314
   92    HB3  PRO  14           2HB      PRO  14  -1.358  10.107  -4.244
   93    HG2  PRO  14           1HG      PRO  14  -0.648   8.865  -1.608
   94    HG3  PRO  14           2HG      PRO  14  -2.165   9.707  -2.101
   95    HD2  PRO  14           1HD      PRO  14  -1.960   7.001  -1.987
   96    HD3  PRO  14           2HD      PRO  14  -2.967   7.836  -3.183
   97    H    ASN  15           H        ASN  15   1.863   9.839  -4.631
   98    HA   ASN  15           HA       ASN  15   3.882   7.863  -4.100
   99    HB2  ASN  15           1HB      ASN  15   4.339  10.841  -4.274
  100    HB3  ASN  15           2HB      ASN  15   5.460   9.533  -4.670
  101   HD21  ASN  15          1HD2      ASN  15   5.592   8.854  -6.700
  102   HD22  ASN  15          2HD2      ASN  15   4.517   9.304  -7.976
  103    H    CYS  16           H        CYS  16   5.720   8.512  -2.550
  104    HA   CYS  16           HA       CYS  16   6.457   8.854  -0.425
  105    HB2  CYS  16           1HB      CYS  16   5.441  11.150  -0.922
  106    HB3  CYS  16           2HB      CYS  16   4.061  10.617   0.055
  107    H    LEU  17           H        LEU  17   4.025   7.041  -1.219
  108    HA   LEU  17           HA       LEU  17   3.493   6.191   1.541
  109    HB2  LEU  17           1HB      LEU  17   1.582   7.497   0.404
  110    HB3  LEU  17           2HB      LEU  17   1.382   6.039  -0.583
  111    HG   LEU  17           HG       LEU  17   1.056   4.760   1.566
  112   HD11  LEU  17          1HD1      LEU  17   0.780   7.531   2.718
  113   HD12  LEU  17          2HD1      LEU  17   2.093   6.406   3.058
  114   HD13  LEU  17          3HD1      LEU  17   0.447   6.013   3.550
  115   HD21  LEU  17          3HD2      LEU  17  -0.789   5.463   0.078
  116   HD22  LEU  17          1HD2      LEU  17  -0.937   6.954   1.010
  117   HD23  LEU  17          2HD2      LEU  17  -1.261   5.398   1.776
  118    H    CYS  18           H        CYS  18   2.808   3.932   1.713
  119    HA   CYS  18           HA       CYS  18   3.817   2.296  -0.522
  120    HB2  CYS  18           1HB      CYS  18   4.041   1.720   2.438
  121    HB3  CYS  18           2HB      CYS  18   4.632   0.675   1.135
  122    H    CYS  19           H        CYS  19   2.575   0.638  -1.201
  123    HA   CYS  19           HA       CYS  19  -0.017   0.290   0.131
  124    HB2  CYS  19           1HB      CYS  19   0.004   0.973  -2.254
  125    HB3  CYS  19           2HB      CYS  19   0.810  -0.554  -2.654
  126    H    GLY  20           H        GLY  20  -0.002  -1.332   1.553
  127    HA2  GLY  20           2HA      GLY  20   1.799  -3.514   1.481
  128    HA3  GLY  20           3HA      GLY  20   0.364  -3.398   2.489
  129    H    LYS  21           H        LYS  21   1.646  -5.546   0.707
  130    HA   LYS  21           HA       LYS  21   0.183  -6.190  -1.500
  131    HB2  LYS  21           1HB      LYS  21   2.094  -7.491  -0.502
  132    HB3  LYS  21           2HB      LYS  21   0.930  -8.201   0.627
  133    HG2  LYS  21           1HG      LYS  21  -0.353  -8.790  -1.614
  134    HG3  LYS  21           2HG      LYS  21   1.286  -8.680  -2.278
  135    HD2  LYS  21           1HD      LYS  21   1.404 -10.160   0.163
  136    HD3  LYS  21           2HD      LYS  21   0.106 -10.825  -0.845
  137    HE2  LYS  21           1HE      LYS  21   1.935 -12.028  -1.598
  138    HE3  LYS  21           2HE      LYS  21   1.872 -10.689  -2.752
  139    HZ1  LYS  21           3HZ      LYS  21   4.090 -10.786  -2.132
  140    HZ2  LYS  21           1HZ      LYS  21   3.742 -11.087  -0.504
  141    HZ3  LYS  21           2HZ      LYS  21   3.486  -9.545  -1.152
  142    H    TYR  22           H        TYR  22  -0.844  -6.328   1.833
  143    HA   TYR  22           HA       TYR  22  -3.264  -7.789   1.236
  144    HB2  TYR  22           1HB      TYR  22  -2.395  -6.357   3.761
  145    HB3  TYR  22           2HB      TYR  22  -3.799  -7.418   3.619
  146    HD1  TYR  22           1HD      TYR  22  -3.505  -9.850   3.242
  147    HD2  TYR  22           2HD      TYR  22  -0.194  -7.290   3.999
  148    HE1  TYR  22           1HE      TYR  22  -2.121 -11.811   3.783
  149    HE2  TYR  22           2HE      TYR  22   1.200  -9.242   4.541
  150    HH   TYR  22           HH       TYR  22   0.170 -12.062   5.372
  151    H    GLY  23           H        GLY  23  -2.979  -5.423  -0.289
  152    HA2  GLY  23           2HA      GLY  23  -4.077  -3.482  -0.860
  153    HA3  GLY  23           3HA      GLY  23  -5.485  -4.328  -0.235
  154    H    PHE  24           H        PHE  24  -2.634  -3.134   1.504
  155    HA   PHE  24           HA       PHE  24  -4.382  -1.238   2.923
  156    HB2  PHE  24           1HB      PHE  24  -3.849  -3.380   4.218
  157    HB3  PHE  24           2HB      PHE  24  -2.187  -2.791   4.289
  158    HD1  PHE  24           1HD      PHE  24  -1.872  -0.364   5.201
  159    HD2  PHE  24           2HD      PHE  24  -5.303  -2.779   5.915
  160    HE1  PHE  24           1HE      PHE  24  -2.410   0.992   7.183
  161    HE2  PHE  24           2HE      PHE  24  -5.847  -1.426   7.897
  162    HZ   PHE  24           HZ       PHE  24  -4.400   0.463   8.533
  163    H    CYS  25           H        CYS  25  -3.675   0.676   2.203
  164    HA   CYS  25           HA       CYS  25  -0.843   1.138   1.744
  165    HB2  CYS  25           1HB      CYS  25  -3.363   2.679   1.222
  166    HB3  CYS  25           2HB      CYS  25  -1.792   3.499   1.158
  167    H    GLY  26           H        GLY  26   0.486   1.965   3.213
  168    HA2  GLY  26           2HA      GLY  26  -0.538   3.850   5.198
  169    HA3  GLY  26           3HA      GLY  26   0.191   2.370   5.804
  170    H    SER  27           H        SER  27   1.731   3.752   6.878
  171    HA   SER  27           HA       SER  27   3.926   4.514   5.079
  172    HB2  SER  27           1HB      SER  27   2.588   6.523   5.880
  173    HB3  SER  27           2HB      SER  27   3.168   6.141   7.510
  174    HG   SER  27           HG       SER  27   4.406   7.631   5.865
  175    H    GLY  28           H        GLY  28   5.853   5.219   6.773
  176    HA2  GLY  28           2HA      GLY  28   7.352   4.490   8.365
  177    HA3  GLY  28           3HA      GLY  28   6.050   3.560   9.091
  178    H    ASP  29           H        ASP  29   8.707   2.653   8.864
  179    HA   ASP  29           HA       ASP  29   9.141   0.987   6.636
  180    HB2  ASP  29           1HB      ASP  29  10.404   1.515   9.187
  181    HB3  ASP  29           2HB      ASP  29  10.417  -0.218   8.828
  182    HD2  ASP  29           HD       ASP  29  12.322   0.421   5.865
  183    H    ALA  30           H        ALA  30   7.003   0.703   9.267
  184    HA   ALA  30           HA       ALA  30   6.854  -2.076   9.601
  185    HB1  ALA  30           1HB      ALA  30   5.292   0.239  10.372
  186    HB2  ALA  30           2HB      ALA  30   4.274  -1.157  10.013
  187    HB3  ALA  30           3HB      ALA  30   5.551  -1.284  11.223
  188    H    TYR  31           H        TYR  31   5.473   0.053   7.188
  189    HA   TYR  31           HA       TYR  31   4.269  -2.296   5.875
  190    HB2  TYR  31           1HB      TYR  31   3.383   0.600   5.753
  191    HB3  TYR  31           2HB      TYR  31   2.666  -0.720   4.826
  192    HD1  TYR  31           2HD      TYR  31   3.280   0.399   8.321
  193    HD2  TYR  31           1HD      TYR  31   0.929  -2.008   5.716
  194    HE1  TYR  31           2HE      TYR  31   1.738  -0.090  10.173
  195    HE2  TYR  31           1HE      TYR  31  -0.620  -2.503   7.562
  196    HH   TYR  31           HH       TYR  31  -0.957  -2.345   9.775
  197    H    CYS  32           H        CYS  32   6.519   0.257   5.656
  198    HA   CYS  32           HA       CYS  32   6.673   0.178   2.751
  199    HB2  CYS  32           1HB      CYS  32   7.994   1.798   4.905
  200    HB3  CYS  32           2HB      CYS  32   8.672   1.774   3.268
  201    H    GLY  33           H        GLY  33   8.236  -1.193   5.517
  202    HA2  GLY  33           2HA      GLY  33  10.751  -1.813   4.463
  203    HA3  GLY  33           3HA      GLY  33   9.931  -2.724   5.722
  204    H    ALA  34           H        ALA  34  11.561  -3.977   3.881
  205    HA   ALA  34           HA       ALA  34   9.979  -5.066   1.735
  206    HB1  ALA  34           1HB      ALA  34  12.762  -5.131   2.565
  207    HB2  ALA  34           2HB      ALA  34  12.186  -6.701   2.004
  208    HB3  ALA  34           3HB      ALA  34  12.056  -5.289   0.956
  209    H    GLY  35           H        GLY  35   8.383  -6.446   2.174
  210    HA2  GLY  35           2HA      GLY  35   8.615  -9.007   2.998
  211    HA3  GLY  35           3HA      GLY  35   8.460  -8.139   4.518
  212    H    SER  36           H        SER  36   6.712  -6.108   3.164
  213    HA   SER  36           HA       SER  36   4.310  -7.708   2.663
  214    HB2  SER  36           1HB      SER  36   4.436  -7.089   5.112
  215    HB3  SER  36           2HB      SER  36   4.310  -5.395   4.610
  216    HG   SER  36           HG       SER  36   2.243  -5.859   4.836
  217    H    CYS  37           H        CYS  37   6.283  -5.641   1.375
  218    HA   CYS  37           HA       CYS  37   4.398  -3.599   0.516
  219    HB2  CYS  37           1HB      CYS  37   6.828  -3.147   1.084
  220    HB3  CYS  37           2HB      CYS  37   7.239  -3.967  -0.432
  221    H    GLN  38           H        GLN  38   3.405  -3.532  -1.418
  222    HA   GLN  38           HA       GLN  38   4.120  -5.593  -3.397
  223    HB2  GLN  38           1HB      GLN  38   2.078  -6.331  -2.457
  224    HB3  GLN  38           2HB      GLN  38   1.398  -4.696  -2.468
  225    HG2  GLN  38           1HG      GLN  38   1.328  -4.725  -4.914
  226    HG3  GLN  38           2HG      GLN  38   2.003  -6.361  -4.902
  227   HE21  GLN  38          1HE2      GLN  38  -0.698  -4.504  -3.553
  228   HE22  GLN  38          2HE2      GLN  38  -1.866  -5.770  -3.693
  229    H    SER  39           H        SER  39   2.360  -2.520  -2.998
  230    HA   SER  39           HA       SER  39   3.461  -1.669  -5.594
  231    HB2  SER  39           1HB      SER  39   0.947  -2.277  -5.550
  232    HB3  SER  39           2HB      SER  39   0.752  -0.779  -4.624
  233    HG   SER  39           HG       SER  39   0.694  -0.857  -7.135
  234    H    GLN  40           H        GLN  40   3.728   0.631  -5.848
  235    HA   GLN  40           HA       GLN  40   4.519   2.652  -5.168
  236    HB2  GLN  40           1HB      GLN  40   2.464   2.127  -3.017
  237    HB3  GLN  40           2HB      GLN  40   3.365   3.647  -3.135
  238    HG2  GLN  40           1HG      GLN  40   1.352   4.103  -4.207
  239    HG3  GLN  40           2HG      GLN  40   2.488   3.786  -5.525
  240   HE21  GLN  40          1HE2      GLN  40   1.422   2.823  -7.096
  241   HE22  GLN  40          2HE2      GLN  40   0.336   1.491  -6.920
  242    H    CYS  41           H        CYS  41   6.167   0.560  -4.546
  243    HA   CYS  41           HA       CYS  41   6.974   0.691  -1.782
  244    HB2  CYS  41           1HB      CYS  41   8.140  -0.647  -4.221
  245    HB3  CYS  41           2HB      CYS  41   8.907  -0.729  -2.625
  246    H    ARG  42           H        ARG  42   7.134   3.156  -2.107
  247    HA   ARG  42           HA       ARG  42   9.904   3.834  -2.106
  248    HB2  ARG  42           1HB      ARG  42   9.226   3.757  -4.583
  249    HB3  ARG  42           2HB      ARG  42   8.292   5.220  -4.235
  250    HG2  ARG  42           1HG      ARG  42  10.098   6.492  -4.420
  251    HG3  ARG  42           2HG      ARG  42  10.949   5.514  -3.212
  252    HD2  ARG  42           1HD      ARG  42  12.046   4.273  -4.771
  253    HD3  ARG  42           2HD      ARG  42  10.686   4.320  -5.899
  254    HE   ARG  42           HE       ARG  42  11.806   6.889  -5.721
  255   HH11  ARG  42          1HH1      ARG  42  12.552   3.713  -6.938
  256   HH12  ARG  42          2HH1      ARG  42  13.583   4.298  -8.203
  257   HH21  ARG  42          1HH2      ARG  42  13.161   7.670  -7.382
  258   HH22  ARG  42          2HH2      ARG  42  13.929   6.548  -8.453
  259    H    GLY  43           H        GLY  43   7.404   4.032  -0.496
  260    HA2  GLY  43           2HA      GLY  43   6.608   6.756  -0.363
  261    HA3  GLY  43           3HA      GLY  43   6.325   5.535   0.869
  262    H    CYS  44           H        CYS  44   6.758   7.828   1.949
  263    HA   CYS  44           HA       CYS  44   9.620   8.199   2.425
  264    HB2  CYS  44           1HB      CYS  44   7.360   9.839   3.561
  265    HB3  CYS  44           2HB      CYS  44   9.062  10.301   3.399
  Start of MODEL   14
    1    H1   ALA   1           H        ALA   1  -4.337   6.546   6.137
    2    HA   ALA   1           HA       ALA   1  -3.959   3.938   6.606
    3    HB1  ALA   1           1HB      ALA   1  -6.080   3.263   7.879
    4    HB2  ALA   1           2HB      ALA   1  -4.728   3.912   8.810
    5    HB3  ALA   1           3HB      ALA   1  -6.114   4.936   8.437
    6    H    GLN   2           H        GLN   2  -4.366   3.574   4.502
    7    HA   GLN   2           HA       GLN   2  -7.149   3.809   3.613
    8    HB2  GLN   2           1HB      GLN   2  -6.232   4.502   1.333
    9    HB3  GLN   2           2HB      GLN   2  -6.224   5.728   2.611
   10    HG2  GLN   2           1HG      GLN   2  -3.759   4.179   2.535
   11    HG3  GLN   2           2HG      GLN   2  -4.095   5.023   1.018
   12   HE21  GLN   2          1HE2      GLN   2  -3.529   5.408   4.440
   13   HE22  GLN   2          2HE2      GLN   2  -3.130   7.088   4.385
   14    H    ARG   3           H        ARG   3  -7.806   2.281   2.091
   15    HA   ARG   3           HA       ARG   3  -6.063  -0.064   1.938
   16    HB2  ARG   3           1HB      ARG   3  -9.007   0.223   1.284
   17    HB3  ARG   3           2HB      ARG   3  -8.091  -1.292   1.315
   18    HG2  ARG   3           1HG      ARG   3  -8.045  -1.404   3.590
   19    HG3  ARG   3           2HG      ARG   3  -8.092   0.356   3.778
   20    HD2  ARG   3           1HD      ARG   3 -10.183  -0.677   4.542
   21    HD3  ARG   3           2HD      ARG   3 -10.444   0.386   3.151
   22    HE   ARG   3           HE       ARG   3 -10.036  -2.291   2.307
   23   HH11  ARG   3          1HH1      ARG   3 -12.396  -0.180   3.753
   24   HH12  ARG   3          2HH1      ARG   3 -13.754  -1.082   3.169
   25   HH21  ARG   3          1HH2      ARG   3 -11.816  -3.489   1.532
   26   HH22  ARG   3          2HH2      ARG   3 -13.423  -2.965   1.906
   27    H    CYS   4           H        CYS   4  -5.494  -1.045   0.019
   28    HA   CYS   4           HA       CYS   4  -6.337   0.214  -2.485
   29    HB2  CYS   4           1HB      CYS   4  -3.906   0.095  -3.246
   30    HB3  CYS   4           2HB      CYS   4  -4.333   1.402  -2.128
   31    H    GLY   5           H        GLY   5  -4.893  -1.105  -4.302
   32    HA2  GLY   5           2HA      GLY   5  -4.669  -3.106  -5.404
   33    HA3  GLY   5           3HA      GLY   5  -4.445  -3.848  -3.826
   34    H    ASP   6           H        ASP   6  -5.642  -5.677  -4.321
   35    HA   ASP   6           HA       ASP   6  -8.175  -5.718  -5.501
   36    HB2  ASP   6           1HB      ASP   6  -6.419  -7.619  -4.673
   37    HB3  ASP   6           2HB      ASP   6  -7.665  -7.758  -3.425
   38    HD2  ASP   6           HD       ASP   6 -10.062  -8.693  -5.895
   39    H    GLN   7           H        GLN   7  -7.200  -4.767  -2.353
   40    HA   GLN   7           HA       GLN   7  -9.777  -5.164  -1.121
   41    HB2  GLN   7           1HB      GLN   7  -7.232  -3.804  -0.231
   42    HB3  GLN   7           2HB      GLN   7  -8.709  -3.796   0.746
   43    HG2  GLN   7           1HG      GLN   7  -7.847  -6.449  -0.196
   44    HG3  GLN   7           2HG      GLN   7  -6.757  -5.649   0.944
   45   HE21  GLN   7          1HE2      GLN   7  -7.091  -6.426   2.895
   46   HE22  GLN   7          2HE2      GLN   7  -8.628  -6.719   3.627
   47    H    ALA   8           H        ALA   8  -8.744  -3.057  -3.379
   48    HA   ALA   8           HA       ALA   8 -10.750  -1.073  -2.592
   49    HB1  ALA   8           1HB      ALA   8  -8.046  -0.262  -3.642
   50    HB2  ALA   8           2HB      ALA   8  -9.337   0.789  -3.060
   51    HB3  ALA   8           3HB      ALA   8  -8.476  -0.258  -1.931
   52    H    ARG   9           H        ARG   9 -10.828  -3.219  -4.509
   53    HA   ARG   9           HA       ARG   9 -11.497  -3.632  -6.643
   54    HB2  ARG   9           1HB      ARG   9 -13.008  -1.659  -5.963
   55    HB3  ARG   9           2HB      ARG   9 -11.946  -0.677  -6.984
   56    HG2  ARG   9           1HG      ARG   9 -13.257  -1.209  -8.696
   57    HG3  ARG   9           2HG      ARG   9 -12.591  -2.846  -8.581
   58    HD2  ARG   9           1HD      ARG   9 -14.742  -3.467  -8.304
   59    HD3  ARG   9           2HD      ARG   9 -14.481  -2.930  -6.639
   60    HE   ARG   9           HE       ARG   9 -15.279  -0.718  -8.151
   61   HH11  ARG   9          1HH1      ARG   9 -16.559  -3.745  -7.004
   62   HH12  ARG   9          2HH1      ARG   9 -18.195  -3.177  -6.936
   63   HH21  ARG   9          1HH2      ARG   9 -17.428   0.042  -8.066
   64   HH22  ARG   9          2HH2      ARG   9 -18.688  -1.023  -7.541
   65    H    GLY  10           H        GLY  10  -8.697  -3.003  -6.102
   66    HA2  GLY  10           2HA      GLY  10  -6.815  -3.025  -7.458
   67    HA3  GLY  10           3HA      GLY  10  -7.847  -2.695  -8.842
   68    H    ALA  11           H        ALA  11  -8.093  -0.649  -6.067
   69    HA   ALA  11           HA       ALA  11  -7.291   1.634  -7.616
   70    HB1  ALA  11           1HB      ALA  11  -7.952   2.946  -5.722
   71    HB2  ALA  11           2HB      ALA  11  -9.152   1.676  -5.964
   72    HB3  ALA  11           3HB      ALA  11  -7.954   1.525  -4.678
   73    H    LYS  12           H        LYS  12  -5.432   2.779  -7.515
   74    HA   LYS  12           HA       LYS  12  -3.248   1.612  -5.954
   75    HB2  LYS  12           1HB      LYS  12  -3.356   3.414  -8.365
   76    HB3  LYS  12           2HB      LYS  12  -1.865   3.211  -7.432
   77    HG2  LYS  12           1HG      LYS  12  -1.650   0.960  -8.002
   78    HG3  LYS  12           2HG      LYS  12  -3.348   0.839  -8.497
   79    HD2  LYS  12           1HD      LYS  12  -2.970   1.729 -10.558
   80    HD3  LYS  12           2HD      LYS  12  -1.677   2.789  -9.970
   81    HE2  LYS  12           1HE      LYS  12  -0.921   0.005  -9.719
   82    HE3  LYS  12           2HE      LYS  12  -1.388   0.397 -11.380
   83    HZ1  LYS  12           3HZ      LYS  12   0.964   0.776 -11.026
   84    HZ2  LYS  12           1HZ      LYS  12   0.634   1.857  -9.767
   85    HZ3  LYS  12           2HZ      LYS  12   0.181   2.239 -11.351
   86    H    CYS  13           H        CYS  13  -1.673   3.093  -4.952
   87    HA   CYS  13           HA       CYS  13  -3.061   5.366  -3.709
   88    HB2  CYS  13           1HB      CYS  13  -0.884   3.519  -2.789
   89    HB3  CYS  13           2HB      CYS  13  -1.076   5.111  -2.036
   90    HA   PRO  14           HA       PRO  14  -0.336   8.324  -5.459
   91    HB2  PRO  14           1HB      PRO  14  -0.018  10.102  -3.400
   92    HB3  PRO  14           2HB      PRO  14  -1.513   9.934  -4.318
   93    HG2  PRO  14           1HG      PRO  14  -0.761   8.737  -1.672
   94    HG3  PRO  14           2HG      PRO  14  -2.298   9.544  -2.164
   95    HD2  PRO  14           1HD      PRO  14  -2.041   6.846  -2.018
   96    HD3  PRO  14           2HD      PRO  14  -3.071   7.646  -3.217
   97    H    ASN  15           H        ASN  15   1.710   9.723  -4.723
   98    HA   ASN  15           HA       ASN  15   3.769   7.792  -4.182
   99    HB2  ASN  15           1HB      ASN  15   4.051  10.792  -4.489
  100    HB3  ASN  15           2HB      ASN  15   5.323   9.578  -4.667
  101   HD21  ASN  15          1HD2      ASN  15   4.120   7.672  -6.184
  102   HD22  ASN  15          2HD2      ASN  15   3.738   8.312  -7.742
  103    H    CYS  16           H        CYS  16   5.604   8.495  -2.653
  104    HA   CYS  16           HA       CYS  16   6.349   8.877  -0.538
  105    HB2  CYS  16           1HB      CYS  16   5.288  11.146  -1.055
  106    HB3  CYS  16           2HB      CYS  16   3.923  10.602  -0.063
  107    H    LEU  17           H        LEU  17   3.946   7.009  -1.291
  108    HA   LEU  17           HA       LEU  17   3.447   6.185   1.482
  109    HB2  LEU  17           1HB      LEU  17   1.504   7.438   0.338
  110    HB3  LEU  17           2HB      LEU  17   1.328   5.963  -0.627
  111    HG   LEU  17           HG       LEU  17   1.037   4.706   1.537
  112   HD11  LEU  17          1HD1      LEU  17   0.619   7.453   2.694
  113   HD12  LEU  17          2HD1      LEU  17   2.070   6.486   2.949
  114   HD13  LEU  17          3HD1      LEU  17   0.509   5.905   3.531
  115   HD21  LEU  17          3HD2      LEU  17  -1.303   5.474   1.839
  116   HD22  LEU  17          1HD2      LEU  17  -0.863   5.206   0.152
  117   HD23  LEU  17          2HD2      LEU  17  -0.950   6.848   0.790
  118    H    CYS  18           H        CYS  18   2.805   3.915   1.685
  119    HA   CYS  18           HA       CYS  18   3.834   2.270  -0.534
  120    HB2  CYS  18           1HB      CYS  18   4.085   1.738   2.432
  121    HB3  CYS  18           2HB      CYS  18   4.689   0.687   1.141
  122    H    CYS  19           H        CYS  19   2.621   0.580  -1.185
  123    HA   CYS  19           HA       CYS  19   0.044   0.198   0.168
  124    HB2  CYS  19           1HB      CYS  19   0.035   0.854  -2.226
  125    HB3  CYS  19           2HB      CYS  19   0.867  -0.662  -2.612
  126    H    GLY  20           H        GLY  20   0.099  -1.407   1.608
  127    HA2  GLY  20           2HA      GLY  20   1.940  -3.555   1.548
  128    HA3  GLY  20           3HA      GLY  20   0.510  -3.454   2.565
  129    H    LYS  21           H        LYS  21   1.821  -5.599   0.799
  130    HA   LYS  21           HA       LYS  21   0.354  -6.295  -1.389
  131    HB2  LYS  21           1HB      LYS  21   2.286  -7.566  -0.485
  132    HB3  LYS  21           2HB      LYS  21   1.228  -8.213   0.780
  133    HG2  LYS  21           1HG      LYS  21  -0.089  -8.734  -1.642
  134    HG3  LYS  21           2HG      LYS  21   1.618  -9.133  -1.907
  135    HD2  LYS  21           1HD      LYS  21   1.327 -10.282   0.482
  136    HD3  LYS  21           2HD      LYS  21  -0.358 -10.366  -0.065
  137    HE2  LYS  21           1HE      LYS  21   0.165 -12.192  -1.233
  138    HE3  LYS  21           2HE      LYS  21   1.177 -11.168  -2.263
  139    HZ1  LYS  21           3HZ      LYS  21   2.389 -11.983   0.242
  140    HZ2  LYS  21           1HZ      LYS  21   3.055 -11.909  -1.312
  141    HZ3  LYS  21           2HZ      LYS  21   2.106 -13.234  -0.861
  142    H    TYR  22           H        TYR  22  -0.646  -6.413   1.952
  143    HA   TYR  22           HA       TYR  22  -3.041  -7.929   1.392
  144    HB2  TYR  22           1HB      TYR  22  -2.142  -6.463   3.888
  145    HB3  TYR  22           2HB      TYR  22  -3.570  -7.496   3.782
  146    HD1  TYR  22           1HD      TYR  22  -3.177  -9.953   3.012
  147    HD2  TYR  22           2HD      TYR  22  -0.112  -7.423   4.532
  148    HE1  TYR  22           1HE      TYR  22  -1.823 -11.931   3.560
  149    HE2  TYR  22           2HE      TYR  22   1.250  -9.395   5.083
  150    HH   TYR  22           HH       TYR  22  -0.021 -12.605   4.936
  151    H    GLY  23           H        GLY  23  -2.809  -5.574  -0.164
  152    HA2  GLY  23           2HA      GLY  23  -3.951  -3.662  -0.751
  153    HA3  GLY  23           3HA      GLY  23  -5.337  -4.529  -0.107
  154    H    PHE  24           H        PHE  24  -2.500  -3.258   1.599
  155    HA   PHE  24           HA       PHE  24  -4.274  -1.379   3.005
  156    HB2  PHE  24           1HB      PHE  24  -3.708  -3.483   4.331
  157    HB3  PHE  24           2HB      PHE  24  -2.046  -2.889   4.368
  158    HD1  PHE  24           2HD      PHE  24  -5.509  -1.832   5.222
  159    HD2  PHE  24           1HD      PHE  24  -1.352  -1.478   6.058
  160    HE1  PHE  24           2HE      PHE  24  -6.026  -0.448   7.190
  161    HE2  PHE  24           1HE      PHE  24  -1.860  -0.094   8.028
  162    HZ   PHE  24           HZ       PHE  24  -4.201   0.423   8.597
  163    H    CYS  25           H        CYS  25  -3.608   0.540   2.259
  164    HA   CYS  25           HA       CYS  25  -0.789   1.050   1.776
  165    HB2  CYS  25           1HB      CYS  25  -3.340   2.537   1.253
  166    HB3  CYS  25           2HB      CYS  25  -1.787   3.385   1.168
  167    H    GLY  26           H        GLY  26   0.534   1.921   3.225
  168    HA2  GLY  26           2HA      GLY  26  -0.514   3.809   5.195
  169    HA3  GLY  26           3HA      GLY  26   0.248   2.351   5.813
  170    H    SER  27           H        SER  27   1.767   3.778   6.860
  171    HA   SER  27           HA       SER  27   3.935   4.561   5.037
  172    HB2  SER  27           1HB      SER  27   2.564   6.553   5.823
  173    HB3  SER  27           2HB      SER  27   3.161   6.201   7.454
  174    HG   SER  27           HG       SER  27   4.664   6.938   5.172
  175    H    GLY  28           H        GLY  28   5.857   5.325   6.711
  176    HA2  GLY  28           2HA      GLY  28   7.383   4.644   8.299
  177    HA3  GLY  28           3HA      GLY  28   6.103   3.699   9.048
  178    H    ASP  29           H        ASP  29   8.775   2.839   8.813
  179    HA   ASP  29           HA       ASP  29   9.225   1.153   6.603
  180    HB2  ASP  29           1HB      ASP  29  10.384   1.485   9.321
  181    HB3  ASP  29           2HB      ASP  29  10.679  -0.061   8.514
  182    HD2  ASP  29           HD       ASP  29  12.521   1.567   5.954
  183    H    ALA  30           H        ALA  30   7.111   0.863   9.253
  184    HA   ALA  30           HA       ALA  30   7.017  -1.914   9.622
  185    HB1  ALA  30           1HB      ALA  30   5.543   0.356  10.499
  186    HB2  ALA  30           2HB      ALA  30   4.405  -0.879   9.959
  187    HB3  ALA  30           3HB      ALA  30   5.601  -1.262  11.197
  188    H    TYR  31           H        TYR  31   5.581   0.157   7.192
  189    HA   TYR  31           HA       TYR  31   4.414  -2.230   5.916
  190    HB2  TYR  31           1HB      TYR  31   3.472   0.646   5.763
  191    HB3  TYR  31           2HB      TYR  31   2.774  -0.698   4.858
  192    HD1  TYR  31           1HD      TYR  31   2.498  -2.851   6.719
  193    HD2  TYR  31           2HD      TYR  31   1.957   1.316   7.389
  194    HE1  TYR  31           1HE      TYR  31   0.976  -3.355   8.583
  195    HE2  TYR  31           2HE      TYR  31   0.433   0.823   9.255
  196    HH   TYR  31           HH       TYR  31  -0.658  -0.762  10.373
  197    H    CYS  32           H        CYS  32   6.614   0.360   5.650
  198    HA   CYS  32           HA       CYS  32   6.752   0.249   2.746
  199    HB2  CYS  32           1HB      CYS  32   8.053   1.919   4.870
  200    HB3  CYS  32           2HB      CYS  32   8.723   1.887   3.230
  201    H    GLY  33           H        GLY  33   8.356  -1.059   5.518
  202    HA2  GLY  33           2HA      GLY  33  10.876  -1.645   4.457
  203    HA3  GLY  33           3HA      GLY  33  10.081  -2.556   5.731
  204    H    ALA  34           H        ALA  34  11.723  -3.801   3.894
  205    HA   ALA  34           HA       ALA  34  10.148  -4.945   1.771
  206    HB1  ALA  34           1HB      ALA  34  12.867  -5.746   2.805
  207    HB2  ALA  34           2HB      ALA  34  12.123  -6.286   1.299
  208    HB3  ALA  34           3HB      ALA  34  12.558  -4.590   1.509
  209    H    GLY  35           H        GLY  35   8.583  -6.354   2.233
  210    HA2  GLY  35           2HA      GLY  35   8.868  -8.898   3.086
  211    HA3  GLY  35           3HA      GLY  35   8.706  -8.016   4.598
  212    H    SER  36           H        SER  36   6.912  -6.035   3.231
  213    HA   SER  36           HA       SER  36   4.537  -7.684   2.764
  214    HB2  SER  36           1HB      SER  36   4.642  -7.055   5.200
  215    HB3  SER  36           2HB      SER  36   4.532  -5.359   4.700
  216    HG   SER  36           HG       SER  36   2.471  -5.600   4.388
  217    H    CYS  37           H        CYS  37   6.463  -5.597   1.440
  218    HA   CYS  37           HA       CYS  37   4.533  -3.601   0.568
  219    HB2  CYS  37           1HB      CYS  37   6.957  -3.096   1.116
  220    HB3  CYS  37           2HB      CYS  37   7.376  -3.925  -0.392
  221    H    GLN  38           H        GLN  38   3.527  -3.578  -1.359
  222    HA   GLN  38           HA       GLN  38   4.271  -5.648  -3.318
  223    HB2  GLN  38           1HB      GLN  38   2.250  -6.414  -2.355
  224    HB3  GLN  38           2HB      GLN  38   1.538  -4.794  -2.384
  225    HG2  GLN  38           1HG      GLN  38   1.453  -4.856  -4.828
  226    HG3  GLN  38           2HG      GLN  38   2.162  -6.475  -4.801
  227   HE21  GLN  38          1HE2      GLN  38  -0.568  -4.663  -3.451
  228   HE22  GLN  38          2HE2      GLN  38  -1.709  -5.956  -3.571
  229    H    SER  39           H        SER  39   2.454  -2.605  -2.944
  230    HA   SER  39           HA       SER  39   3.518  -1.765  -5.557
  231    HB2  SER  39           1HB      SER  39   1.016  -2.420  -5.489
  232    HB3  SER  39           2HB      SER  39   0.800  -0.915  -4.579
  233    HG   SER  39           HG       SER  39   1.658  -1.265  -7.238
  234    H    GLN  40           H        GLN  40   3.742   0.537  -5.840
  235    HA   GLN  40           HA       GLN  40   4.497   2.582  -5.189
  236    HB2  GLN  40           1HB      GLN  40   2.467   2.042  -3.017
  237    HB3  GLN  40           2HB      GLN  40   3.339   3.576  -3.158
  238    HG2  GLN  40           1HG      GLN  40   1.311   3.985  -4.221
  239    HG3  GLN  40           2HG      GLN  40   2.444   3.673  -5.543
  240   HE21  GLN  40          1HE2      GLN  40   1.401   2.660  -7.097
  241   HE22  GLN  40          2HE2      GLN  40   0.334   1.316  -6.899
  242    H    CYS  41           H        CYS  41   6.191   0.529  -4.555
  243    HA   CYS  41           HA       CYS  41   7.013   0.709  -1.798
  244    HB2  CYS  41           1HB      CYS  41   8.187  -0.637  -4.230
  245    HB3  CYS  41           2HB      CYS  41   8.968  -0.683  -2.641
  246    H    ARG  42           H        ARG  42   7.123   3.171  -2.155
  247    HA   ARG  42           HA       ARG  42   9.880   3.903  -2.181
  248    HB2  ARG  42           1HB      ARG  42   9.223   3.786  -4.649
  249    HB3  ARG  42           2HB      ARG  42   8.211   5.201  -4.327
  250    HG2  ARG  42           1HG      ARG  42   9.947   6.605  -4.338
  251    HG3  ARG  42           2HG      ARG  42  10.943   5.509  -3.366
  252    HD2  ARG  42           1HD      ARG  42  11.318   4.126  -5.423
  253    HD3  ARG  42           2HD      ARG  42  10.475   5.382  -6.340
  254    HE   ARG  42           HE       ARG  42  12.654   6.410  -4.788
  255   HH11  ARG  42          1HH1      ARG  42  11.775   4.873  -7.786
  256   HH12  ARG  42          2HH1      ARG  42  13.156   5.469  -8.646
  257   HH21  ARG  42          1HH2      ARG  42  14.476   7.199  -5.911
  258   HH22  ARG  42          2HH2      ARG  42  14.692   6.791  -7.579
  259    H    GLY  43           H        GLY  43   7.388   4.072  -0.555
  260    HA2  GLY  43           2HA      GLY  43   6.540   6.781  -0.449
  261    HA3  GLY  43           3HA      GLY  43   6.289   5.569   0.799
  262    H    CYS  44           H        CYS  44   6.687   7.888   1.845
  263    HA   CYS  44           HA       CYS  44   9.542   8.317   2.298
  264    HB2  CYS  44           1HB      CYS  44   7.259   9.927   3.431
  265    HB3  CYS  44           2HB      CYS  44   8.951  10.421   3.251
  Start of MODEL   15
    1    H1   ALA   1           H        ALA   1  -3.836   6.292   7.882
    2    HA   ALA   1           HA       ALA   1  -3.776   4.106   6.616
    3    HB1  ALA   1           1HB      ALA   1  -5.535   4.839   8.811
    4    HB2  ALA   1           2HB      ALA   1  -6.134   3.459   7.889
    5    HB3  ALA   1           3HB      ALA   1  -4.521   3.410   8.600
    6    H    GLN   2           H        GLN   2  -4.275   3.600   4.588
    7    HA   GLN   2           HA       GLN   2  -7.077   3.807   3.747
    8    HB2  GLN   2           1HB      GLN   2  -6.204   4.457   1.438
    9    HB3  GLN   2           2HB      GLN   2  -6.171   5.707   2.692
   10    HG2  GLN   2           1HG      GLN   2  -3.713   4.130   2.552
   11    HG3  GLN   2           2HG      GLN   2  -4.082   5.025   1.071
   12   HE21  GLN   2          1HE2      GLN   2  -2.716   5.195   4.112
   13   HE22  GLN   2          2HE2      GLN   2  -2.579   6.912   4.245
   14    H    ARG   3           H        ARG   3  -7.757   2.246   2.270
   15    HA   ARG   3           HA       ARG   3  -6.011  -0.097   2.130
   16    HB2  ARG   3           1HB      ARG   3  -8.968   0.169   1.532
   17    HB3  ARG   3           2HB      ARG   3  -8.047  -1.343   1.573
   18    HG2  ARG   3           1HG      ARG   3  -7.855  -1.340   3.873
   19    HG3  ARG   3           2HG      ARG   3  -8.111   0.409   3.987
   20    HD2  ARG   3           1HD      ARG   3 -10.093  -0.617   4.810
   21    HD3  ARG   3           2HD      ARG   3 -10.467   0.014   3.200
   22    HE   ARG   3           HE       ARG   3  -9.655  -2.643   2.914
   23   HH11  ARG   3          1HH1      ARG   3 -12.268  -0.817   4.314
   24   HH12  ARG   3          2HH1      ARG   3 -13.435  -2.081   4.108
   25   HH21  ARG   3          1HH2      ARG   3 -11.183  -4.314   2.637
   26   HH22  ARG   3          2HH2      ARG   3 -12.817  -4.071   3.155
   27    H    CYS   4           H        CYS   4  -5.476  -1.113   0.219
   28    HA   CYS   4           HA       CYS   4  -6.374   0.091  -2.291
   29    HB2  CYS   4           1HB      CYS   4  -3.959  -0.036  -3.100
   30    HB3  CYS   4           2HB      CYS   4  -4.369   1.294  -2.002
   31    H    GLY   5           H        GLY   5  -4.978  -1.257  -4.116
   32    HA2  GLY   5           2HA      GLY   5  -4.762  -3.281  -5.180
   33    HA3  GLY   5           3HA      GLY   5  -4.505  -3.990  -3.592
   34    H    ASP   6           H        ASP   6  -5.704  -5.833  -4.064
   35    HA   ASP   6           HA       ASP   6  -8.268  -5.888  -5.173
   36    HB2  ASP   6           1HB      ASP   6  -6.720  -7.853  -4.814
   37    HB3  ASP   6           2HB      ASP   6  -7.216  -7.833  -3.116
   38    HD2  ASP   6           HD       ASP   6  -9.922  -8.986  -5.788
   39    H    GLN   7           H        GLN   7  -7.209  -4.929  -2.054
   40    HA   GLN   7           HA       GLN   7  -9.746  -5.333  -0.746
   41    HB2  GLN   7           1HB      GLN   7  -7.184  -3.957   0.058
   42    HB3  GLN   7           2HB      GLN   7  -8.630  -3.942   1.079
   43    HG2  GLN   7           1HG      GLN   7  -7.175  -6.417   0.147
   44    HG3  GLN   7           2HG      GLN   7  -7.037  -5.675   1.747
   45   HE21  GLN   7          1HE2      GLN   7  -8.769  -7.828  -0.203
   46   HE22  GLN   7          2HE2      GLN   7 -10.044  -8.190   0.905
   47    H    ALA   8           H        ALA   8  -8.783  -3.223  -3.040
   48    HA   ALA   8           HA       ALA   8 -10.788  -1.255  -2.210
   49    HB1  ALA   8           1HB      ALA   8  -8.089  -0.456  -3.287
   50    HB2  ALA   8           2HB      ALA   8  -9.389   0.617  -2.769
   51    HB3  ALA   8           3HB      ALA   8  -8.549  -0.385  -1.585
   52    H    ARG   9           H        ARG   9 -10.904  -3.402  -4.116
   53    HA   ARG   9           HA       ARG   9 -11.599  -3.832  -6.239
   54    HB2  ARG   9           1HB      ARG   9 -13.151  -1.913  -5.520
   55    HB3  ARG   9           2HB      ARG   9 -12.133  -0.885  -6.541
   56    HG2  ARG   9           1HG      ARG   9 -12.657  -2.883  -8.277
   57    HG3  ARG   9           2HG      ARG   9 -14.132  -2.908  -7.294
   58    HD2  ARG   9           1HD      ARG   9 -14.815  -0.842  -7.989
   59    HD3  ARG   9           2HD      ARG   9 -13.157  -0.256  -8.187
   60    HE   ARG   9           HE       ARG   9 -13.774  -2.250 -10.115
   61   HH11  ARG   9          1HH1      ARG   9 -14.284   1.102  -9.328
   62   HH12  ARG   9          2HH1      ARG   9 -14.513   1.589 -10.974
   63   HH21  ARG   9          1HH2      ARG   9 -14.073  -1.621 -12.287
   64   HH22  ARG   9          2HH2      ARG   9 -14.393   0.040 -12.657
   65    H    GLY  10           H        GLY  10  -8.801  -3.118  -5.761
   66    HA2  GLY  10           2HA      GLY  10  -6.952  -3.086  -7.162
   67    HA3  GLY  10           3HA      GLY  10  -8.028  -2.795  -8.522
   68    H    ALA  11           H        ALA  11  -8.190  -0.767  -5.710
   69    HA   ALA  11           HA       ALA  11  -7.543   1.547  -7.295
   70    HB1  ALA  11           1HB      ALA  11  -9.332   1.537  -5.568
   71    HB2  ALA  11           2HB      ALA  11  -8.080   1.406  -4.332
   72    HB3  ALA  11           3HB      ALA  11  -8.153   2.834  -5.364
   73    H    LYS  12           H        LYS  12  -5.673   2.636  -7.375
   74    HA   LYS  12           HA       LYS  12  -3.405   1.563  -5.885
   75    HB2  LYS  12           1HB      LYS  12  -3.468   3.629  -8.099
   76    HB3  LYS  12           2HB      LYS  12  -2.022   2.855  -7.428
   77    HG2  LYS  12           1HG      LYS  12  -3.736   0.767  -8.236
   78    HG3  LYS  12           2HG      LYS  12  -3.723   1.966  -9.543
   79    HD2  LYS  12           1HD      LYS  12  -1.123   1.940  -9.128
   80    HD3  LYS  12           2HD      LYS  12  -1.476   0.350  -8.429
   81    HE2  LYS  12           1HE      LYS  12  -2.910   0.290 -10.778
   82    HE3  LYS  12           2HE      LYS  12  -1.467   1.214 -11.222
   83    HZ1  LYS  12           3HZ      LYS  12  -0.204  -0.674 -10.068
   84    HZ2  LYS  12           1HZ      LYS  12  -0.857  -0.972 -11.600
   85    HZ3  LYS  12           2HZ      LYS  12  -1.640  -1.555 -10.220
   86    H    CYS  13           H        CYS  13  -1.840   3.045  -4.909
   87    HA   CYS  13           HA       CYS  13  -3.210   5.306  -3.621
   88    HB2  CYS  13           1HB      CYS  13  -0.994   3.471  -2.767
   89    HB3  CYS  13           2HB      CYS  13  -1.179   5.059  -2.002
   90    HA   PRO  14           HA       PRO  14  -0.553   8.289  -5.435
   91    HB2  PRO  14           1HB      PRO  14  -0.193  10.062  -3.380
   92    HB3  PRO  14           2HB      PRO  14  -1.712   9.885  -4.257
   93    HG2  PRO  14           1HG      PRO  14  -0.881   8.689  -1.637
   94    HG3  PRO  14           2HG      PRO  14  -2.436   9.485  -2.084
   95    HD2  PRO  14           1HD      PRO  14  -2.155   6.787  -1.954
   96    HD3  PRO  14           2HD      PRO  14  -3.223   7.582  -3.123
   97    H    ASN  15           H        ASN  15   1.501   9.699  -4.749
   98    HA   ASN  15           HA       ASN  15   3.588   7.780  -4.266
   99    HB2  ASN  15           1HB      ASN  15   3.921  10.774  -4.517
  100    HB3  ASN  15           2HB      ASN  15   5.109   9.513  -4.871
  101   HD21  ASN  15          1HD2      ASN  15   4.938   8.315  -6.766
  102   HD22  ASN  15          2HD2      ASN  15   3.964   8.838  -8.094
  103    H    CYS  16           H        CYS  16   5.458   8.498  -2.787
  104    HA   CYS  16           HA       CYS  16   6.258   8.885  -0.692
  105    HB2  CYS  16           1HB      CYS  16   5.167  11.147  -1.181
  106    HB3  CYS  16           2HB      CYS  16   3.834  10.593  -0.152
  107    H    LEU  17           H        LEU  17   3.851   6.999  -1.382
  108    HA   LEU  17           HA       LEU  17   3.431   6.172   1.405
  109    HB2  LEU  17           1HB      LEU  17   1.450   7.411   0.314
  110    HB3  LEU  17           2HB      LEU  17   1.258   5.935  -0.647
  111    HG   LEU  17           HG       LEU  17   1.060   4.687   1.550
  112   HD11  LEU  17          1HD1      LEU  17   0.383   6.005   3.494
  113   HD12  LEU  17          2HD1      LEU  17   0.710   7.491   2.602
  114   HD13  LEU  17          3HD1      LEU  17   2.031   6.390   2.994
  115   HD21  LEU  17          3HD2      LEU  17  -1.016   6.749   0.818
  116   HD22  LEU  17          1HD2      LEU  17  -1.298   5.348   1.853
  117   HD23  LEU  17          2HD2      LEU  17  -0.868   5.119   0.158
  118    H    CYS  18           H        CYS  18   2.833   3.899   1.635
  119    HA   CYS  18           HA       CYS  18   3.796   2.259  -0.618
  120    HB2  CYS  18           1HB      CYS  18   4.156   1.722   2.336
  121    HB3  CYS  18           2HB      CYS  18   4.741   0.696   1.015
  122    H    CYS  19           H        CYS  19   2.578   0.553  -1.219
  123    HA   CYS  19           HA       CYS  19   0.048   0.162   0.214
  124    HB2  CYS  19           1HB      CYS  19  -0.028   0.766  -2.190
  125    HB3  CYS  19           2HB      CYS  19   0.816  -0.746  -2.568
  126    H    GLY  20           H        GLY  20   0.178  -1.401   1.697
  127    HA2  GLY  20           2HA      GLY  20   2.032  -3.532   1.637
  128    HA3  GLY  20           3HA      GLY  20   0.623  -3.426   2.683
  129    H    LYS  21           H        LYS  21   1.919  -5.597   0.942
  130    HA   LYS  21           HA       LYS  21   0.422  -6.360  -1.202
  131    HB2  LYS  21           1HB      LYS  21   2.358  -7.618  -0.390
  132    HB3  LYS  21           2HB      LYS  21   1.422  -8.160   1.014
  133    HG2  LYS  21           1HG      LYS  21   0.239  -8.746  -1.631
  134    HG3  LYS  21           2HG      LYS  21   1.732  -9.612  -1.221
  135    HD2  LYS  21           1HD      LYS  21   0.777 -10.680   0.609
  136    HD3  LYS  21           2HD      LYS  21  -0.507  -9.468   0.760
  137    HE2  LYS  21           1HE      LYS  21  -1.350 -11.625  -0.105
  138    HE3  LYS  21           2HE      LYS  21  -1.580 -10.290  -1.246
  139    HZ1  LYS  21           3HZ      LYS  21  -0.193 -11.207  -2.731
  140    HZ2  LYS  21           1HZ      LYS  21  -0.488 -12.645  -1.889
  141    HZ3  LYS  21           2HZ      LYS  21   0.904 -11.742  -1.560
  142    H    TYR  22           H        TYR  22  -0.518  -6.415   2.160
  143    HA   TYR  22           HA       TYR  22  -2.911  -7.959   1.676
  144    HB2  TYR  22           1HB      TYR  22  -1.971  -6.434   4.119
  145    HB3  TYR  22           2HB      TYR  22  -3.404  -7.463   4.065
  146    HD1  TYR  22           2HD      TYR  22  -3.017  -9.939   3.309
  147    HD2  TYR  22           1HD      TYR  22   0.052  -7.387   4.782
  148    HE1  TYR  22           2HE      TYR  22  -1.660 -11.909   3.879
  149    HE2  TYR  22           1HE      TYR  22   1.418  -9.351   5.356
  150    HH   TYR  22           HH       TYR  22   1.031 -12.270   4.165
  151    H    GLY  23           H        GLY  23  -2.731  -5.645   0.059
  152    HA2  GLY  23           2HA      GLY  23  -3.897  -3.753  -0.550
  153    HA3  GLY  23           3HA      GLY  23  -5.264  -4.619   0.133
  154    H    PHE  24           H        PHE  24  -2.415  -3.277   1.763
  155    HA   PHE  24           HA       PHE  24  -4.187  -1.388   3.156
  156    HB2  PHE  24           1HB      PHE  24  -3.543  -3.488   4.495
  157    HB3  PHE  24           2HB      PHE  24  -1.918  -2.799   4.547
  158    HD1  PHE  24           1HD      PHE  24  -5.428  -2.183   5.524
  159    HD2  PHE  24           2HD      PHE  24  -1.350  -1.078   6.045
  160    HE1  PHE  24           1HE      PHE  24  -6.051  -0.809   7.467
  161    HE2  PHE  24           2HE      PHE  24  -1.967   0.296   7.990
  162    HZ   PHE  24           HZ       PHE  24  -4.321   0.432   8.703
  163    H    CYS  25           H        CYS  25  -3.549   0.527   2.383
  164    HA   CYS  25           HA       CYS  25  -0.744   1.047   1.833
  165    HB2  CYS  25           1HB      CYS  25  -3.315   2.514   1.345
  166    HB3  CYS  25           2HB      CYS  25  -1.768   3.367   1.215
  167    H    GLY  26           H        GLY  26   0.603   1.943   3.244
  168    HA2  GLY  26           2HA      GLY  26  -0.414   3.853   5.210
  169    HA3  GLY  26           3HA      GLY  26   0.368   2.407   5.831
  170    H    SER  27           H        SER  27   1.903   3.850   6.827
  171    HA   SER  27           HA       SER  27   4.025   4.626   4.950
  172    HB2  SER  27           1HB      SER  27   2.664   6.618   5.755
  173    HB3  SER  27           2HB      SER  27   3.302   6.279   7.373
  174    HG   SER  27           HG       SER  27   4.750   7.669   6.569
  175    H    GLY  28           H        GLY  28   5.986   5.407   6.568
  176    HA2  GLY  28           2HA      GLY  28   7.551   4.744   8.126
  177    HA3  GLY  28           3HA      GLY  28   6.293   3.801   8.912
  178    H    ASP  29           H        ASP  29   8.962   2.948   8.619
  179    HA   ASP  29           HA       ASP  29   9.366   1.249   6.412
  180    HB2  ASP  29           1HB      ASP  29  10.639   1.743   9.011
  181    HB3  ASP  29           2HB      ASP  29  10.795   0.072   8.452
  182    HD2  ASP  29           HD       ASP  29  13.059   2.749   6.811
  183    H    ALA  30           H        ALA  30   7.308   0.971   9.104
  184    HA   ALA  30           HA       ALA  30   7.234  -1.802   9.502
  185    HB1  ALA  30           1HB      ALA  30   4.641  -0.921   9.952
  186    HB2  ALA  30           2HB      ALA  30   5.945  -1.019  11.137
  187    HB3  ALA  30           3HB      ALA  30   5.649   0.491  10.275
  188    H    TYR  31           H        TYR  31   5.738   0.240   7.083
  189    HA   TYR  31           HA       TYR  31   4.562  -2.165   5.850
  190    HB2  TYR  31           1HB      TYR  31   3.596   0.704   5.700
  191    HB3  TYR  31           2HB      TYR  31   2.891  -0.649   4.811
  192    HD1  TYR  31           1HD      TYR  31   1.556  -2.344   5.935
  193    HD2  TYR  31           2HD      TYR  31   3.216   0.919   8.102
  194    HE1  TYR  31           1HE      TYR  31   0.066  -2.851   7.826
  195    HE2  TYR  31           2HE      TYR  31   1.733   0.421  10.000
  196    HH   TYR  31           HH       TYR  31   0.301  -1.077  10.873
  197    H    CYS  32           H        CYS  32   6.733   0.444   5.517
  198    HA   CYS  32           HA       CYS  32   6.813   0.305   2.612
  199    HB2  CYS  32           1HB      CYS  32   8.139   2.010   4.693
  200    HB3  CYS  32           2HB      CYS  32   8.778   1.968   3.042
  201    H    GLY  33           H        GLY  33   8.486  -0.959   5.366
  202    HA2  GLY  33           2HA      GLY  33  10.991  -1.529   4.259
  203    HA3  GLY  33           3HA      GLY  33  10.230  -2.436   5.558
  204    H    ALA  34           H        ALA  34  11.848  -3.680   3.700
  205    HA   ALA  34           HA       ALA  34  10.244  -4.864   1.622
  206    HB1  ALA  34           1HB      ALA  34  12.731  -6.239   2.294
  207    HB2  ALA  34           2HB      ALA  34  12.192  -5.548   0.762
  208    HB3  ALA  34           3HB      ALA  34  12.936  -4.514   1.983
  209    H    GLY  35           H        GLY  35   8.724  -6.313   2.094
  210    HA2  GLY  35           2HA      GLY  35   9.031  -8.834   2.964
  211    HA3  GLY  35           3HA      GLY  35   8.922  -7.952   4.480
  212    H    SER  36           H        SER  36   7.075  -5.978   3.151
  213    HA   SER  36           HA       SER  36   4.689  -7.637   2.795
  214    HB2  SER  36           1HB      SER  36   4.780  -7.048   5.192
  215    HB3  SER  36           2HB      SER  36   4.851  -5.332   4.753
  216    HG   SER  36           HG       SER  36   2.716  -7.146   4.356
  217    H    CYS  37           H        CYS  37   6.562  -5.567   1.371
  218    HA   CYS  37           HA       CYS  37   4.598  -3.586   0.542
  219    HB2  CYS  37           1HB      CYS  37   7.051  -3.086   0.992
  220    HB3  CYS  37           2HB      CYS  37   7.397  -3.918  -0.532
  221    H    GLN  38           H        GLN  38   3.534  -3.578  -1.357
  222    HA   GLN  38           HA       GLN  38   4.202  -5.680  -3.308
  223    HB2  GLN  38           1HB      GLN  38   2.195  -6.342  -2.134
  224    HB3  GLN  38           2HB      GLN  38   1.463  -4.757  -2.429
  225    HG2  GLN  38           1HG      GLN  38   2.176  -5.752  -4.957
  226    HG3  GLN  38           2HG      GLN  38   1.444  -7.101  -4.076
  227   HE21  GLN  38          1HE2      GLN  38  -0.602  -6.465  -2.853
  228   HE22  GLN  38          2HE2      GLN  38  -1.732  -5.491  -3.725
  229    H    SER  39           H        SER  39   2.397  -2.633  -2.911
  230    HA   SER  39           HA       SER  39   3.375  -1.823  -5.568
  231    HB2  SER  39           1HB      SER  39   0.882  -2.498  -5.420
  232    HB3  SER  39           2HB      SER  39   0.678  -0.981  -4.527
  233    HG   SER  39           HG       SER  39   0.814  -1.313  -7.152
  234    H    GLN  40           H        GLN  40   3.569   0.478  -5.886
  235    HA   GLN  40           HA       GLN  40   4.323   2.537  -5.283
  236    HB2  GLN  40           1HB      GLN  40   2.362   2.006  -3.048
  237    HB3  GLN  40           2HB      GLN  40   3.215   3.547  -3.232
  238    HG2  GLN  40           1HG      GLN  40   1.150   3.921  -4.241
  239    HG3  GLN  40           2HG      GLN  40   2.252   3.609  -5.590
  240   HE21  GLN  40          1HE2      GLN  40   1.168   2.577  -7.105
  241   HE22  GLN  40          2HE2      GLN  40   0.125   1.220  -6.864
  242    H    CYS  41           H        CYS  41   6.046   0.496  -4.665
  243    HA   CYS  41           HA       CYS  41   6.946   0.718  -1.939
  244    HB2  CYS  41           1HB      CYS  41   8.073  -0.635  -4.388
  245    HB3  CYS  41           2HB      CYS  41   8.891  -0.662  -2.818
  246    H    ARG  42           H        ARG  42   7.025   3.177  -2.309
  247    HA   ARG  42           HA       ARG  42   9.772   3.936  -2.428
  248    HB2  ARG  42           1HB      ARG  42   9.013   3.795  -4.875
  249    HB3  ARG  42           2HB      ARG  42   8.032   5.225  -4.519
  250    HG2  ARG  42           1HG      ARG  42   9.800   6.453  -5.061
  251    HG3  ARG  42           2HG      ARG  42  10.541   5.885  -3.556
  252    HD2  ARG  42           1HD      ARG  42  11.421   3.902  -4.815
  253    HD3  ARG  42           2HD      ARG  42  10.820   4.662  -6.296
  254    HE   ARG  42           HE       ARG  42  13.204   5.324  -4.891
  255   HH11  ARG  42          1HH1      ARG  42  10.639   6.679  -6.816
  256   HH12  ARG  42          2HH1      ARG  42  11.598   7.997  -7.402
  257   HH21  ARG  42          1HH2      ARG  42  14.477   7.056  -5.655
  258   HH22  ARG  42          2HH2      ARG  42  13.782   8.211  -6.742
  259    H    GLY  43           H        GLY  43   7.331   4.088  -0.725
  260    HA2  GLY  43           2HA      GLY  43   6.466   6.794  -0.607
  261    HA3  GLY  43           3HA      GLY  43   6.253   5.585   0.650
  262    H    CYS  44           H        CYS  44   6.666   7.905   1.683
  263    HA   CYS  44           HA       CYS  44   9.529   8.351   2.061
  264    HB2  CYS  44           1HB      CYS  44   7.268   9.948   3.255
  265    HB3  CYS  44           2HB      CYS  44   8.952  10.452   3.027
  Start of MODEL   16
    1    H1   ALA   1           H        ALA   1  -5.095   6.350   7.985
    2    HA   ALA   1           HA       ALA   1  -3.803   4.253   6.495
    3    HB1  ALA   1           1HB      ALA   1  -5.730   4.431   8.703
    4    HB2  ALA   1           2HB      ALA   1  -5.952   3.048   7.632
    5    HB3  ALA   1           3HB      ALA   1  -4.403   3.299   8.438
    6    H    GLN   2           H        GLN   2  -4.342   3.595   4.527
    7    HA   GLN   2           HA       GLN   2  -7.127   3.837   3.646
    8    HB2  GLN   2           1HB      GLN   2  -6.212   4.504   1.356
    9    HB3  GLN   2           2HB      GLN   2  -6.191   5.742   2.624
   10    HG2  GLN   2           1HG      GLN   2  -3.734   4.231   2.639
   11    HG3  GLN   2           2HG      GLN   2  -4.059   4.907   1.037
   12   HE21  GLN   2          1HE2      GLN   2  -3.600   5.675   4.420
   13   HE22  GLN   2          2HE2      GLN   2  -3.184   7.336   4.184
   14    H    ARG   3           H        ARG   3  -7.798   2.298   2.141
   15    HA   ARG   3           HA       ARG   3  -6.068  -0.059   2.002
   16    HB2  ARG   3           1HB      ARG   3  -9.013   0.238   1.361
   17    HB3  ARG   3           2HB      ARG   3  -8.106  -1.281   1.401
   18    HG2  ARG   3           1HG      ARG   3  -7.565  -0.508   3.870
   19    HG3  ARG   3           2HG      ARG   3  -9.063   0.412   3.645
   20    HD2  ARG   3           1HD      ARG   3 -10.214  -1.433   4.136
   21    HD3  ARG   3           2HD      ARG   3  -9.597  -2.144   2.639
   22    HE   ARG   3           HE       ARG   3  -8.150  -3.432   3.870
   23   HH11  ARG   3          1HH1      ARG   3  -9.486  -0.931   5.889
   24   HH12  ARG   3          2HH1      ARG   3  -8.844  -1.591   7.357
   25   HH21  ARG   3          1HH2      ARG   3  -7.299  -4.310   5.796
   26   HH22  ARG   3          2HH2      ARG   3  -7.599  -3.513   7.302
   27    H    CYS   4           H        CYS   4  -5.513  -1.058   0.090
   28    HA   CYS   4           HA       CYS   4  -6.362   0.180  -2.420
   29    HB2  CYS   4           1HB      CYS   4  -3.937   0.041  -3.193
   30    HB3  CYS   4           2HB      CYS   4  -4.352   1.362  -2.090
   31    H    GLY   5           H        GLY   5  -4.949  -1.161  -4.238
   32    HA2  GLY   5           2HA      GLY   5  -4.734  -3.175  -5.320
   33    HA3  GLY   5           3HA      GLY   5  -4.510  -3.902  -3.736
   34    H    ASP   6           H        ASP   6  -5.719  -5.730  -4.231
   35    HA   ASP   6           HA       ASP   6  -8.260  -5.755  -5.392
   36    HB2  ASP   6           1HB      ASP   6  -6.559  -7.687  -4.725
   37    HB3  ASP   6           2HB      ASP   6  -7.598  -7.773  -3.296
   38    HD2  ASP   6           HD       ASP   6 -10.244  -9.095  -5.102
   39    H    GLN   7           H        GLN   7  -7.256  -4.813  -2.250
   40    HA   GLN   7           HA       GLN   7  -9.825  -5.196  -0.998
   41    HB2  GLN   7           1HB      GLN   7  -7.233  -3.921  -0.148
   42    HB3  GLN   7           2HB      GLN   7  -8.700  -3.763   0.830
   43    HG2  GLN   7           1HG      GLN   7  -8.593  -6.468   0.339
   44    HG3  GLN   7           2HG      GLN   7  -6.891  -6.021   0.530
   45   HE21  GLN   7          1HE2      GLN   7  -9.740  -6.786   2.116
   46   HE22  GLN   7          2HE2      GLN   7  -9.274  -6.339   3.719
   47    H    ALA   8           H        ALA   8  -8.797  -3.092  -3.264
   48    HA   ALA   8           HA       ALA   8 -10.789  -1.099  -2.463
   49    HB1  ALA   8           1HB      ALA   8  -8.473  -0.325  -1.833
   50    HB2  ALA   8           2HB      ALA   8  -8.112  -0.271  -3.559
   51    HB3  ALA   8           3HB      ALA   8  -9.381   0.755  -2.891
   52    H    ARG   9           H        ARG   9 -10.890  -3.244  -4.379
   53    HA   ARG   9           HA       ARG   9 -11.565  -3.656  -6.512
   54    HB2  ARG   9           1HB      ARG   9 -13.079  -1.690  -5.814
   55    HB3  ARG   9           2HB      ARG   9 -12.031  -0.704  -6.841
   56    HG2  ARG   9           1HG      ARG   9 -12.716  -2.935  -8.397
   57    HG3  ARG   9           2HG      ARG   9 -14.203  -2.420  -7.583
   58    HD2  ARG   9           1HD      ARG   9 -14.252  -0.379  -8.630
   59    HD3  ARG   9           2HD      ARG   9 -12.492  -0.319  -8.800
   60    HE   ARG   9           HE       ARG   9 -13.165  -2.329 -10.461
   61   HH11  ARG   9          1HH1      ARG   9 -14.356   0.920 -10.083
   62   HH12  ARG   9          2HH1      ARG   9 -14.788   1.096 -11.752
   63   HH21  ARG   9          1HH2      ARG   9 -13.729  -2.111 -12.660
   64   HH22  ARG   9          2HH2      ARG   9 -14.431  -0.630 -13.216
   65    H    GLY  10           H        GLY  10  -8.763  -3.006  -5.986
   66    HA2  GLY  10           2HA      GLY  10  -6.890  -3.013  -7.354
   67    HA3  GLY  10           3HA      GLY  10  -7.934  -2.696  -8.732
   68    H    ALA  11           H        ALA  11  -8.144  -0.657  -5.940
   69    HA   ALA  11           HA       ALA  11  -7.404   1.640  -7.502
   70    HB1  ALA  11           1HB      ALA  11  -7.996   1.506  -4.549
   71    HB2  ALA  11           2HB      ALA  11  -8.020   2.938  -5.579
   72    HB3  ALA  11           3HB      ALA  11  -9.221   1.667  -5.807
   73    H    LYS  12           H        LYS  12  -5.557   2.809  -7.436
   74    HA   LYS  12           HA       LYS  12  -3.318   1.650  -5.948
   75    HB2  LYS  12           1HB      LYS  12  -3.475   3.547  -8.294
   76    HB3  LYS  12           2HB      LYS  12  -1.962   3.211  -7.438
   77    HG2  LYS  12           1HG      LYS  12  -1.720   1.171  -8.359
   78    HG3  LYS  12           2HG      LYS  12  -3.461   0.839  -8.316
   79    HD2  LYS  12           1HD      LYS  12  -3.850   1.790 -10.363
   80    HD3  LYS  12           2HD      LYS  12  -2.500   2.926 -10.202
   81    HE2  LYS  12           1HE      LYS  12  -0.901   1.314 -10.804
   82    HE3  LYS  12           2HE      LYS  12  -2.021  -0.020 -10.495
   83    HZ1  LYS  12           3HZ      LYS  12  -3.292   1.392 -12.420
   84    HZ2  LYS  12           1HZ      LYS  12  -2.343   0.016 -12.687
   85    HZ3  LYS  12           2HZ      LYS  12  -1.670   1.557 -12.873
   86    H    CYS  13           H        CYS  13  -1.750   3.111  -4.936
   87    HA   CYS  13           HA       CYS  13  -3.122   5.373  -3.652
   88    HB2  CYS  13           1HB      CYS  13  -0.938   3.511  -2.777
   89    HB3  CYS  13           2HB      CYS  13  -1.121   5.093  -2.002
   90    HA   PRO  14           HA       PRO  14  -0.408   8.346  -5.396
   91    HB2  PRO  14           1HB      PRO  14  -0.068  10.099  -3.318
   92    HB3  PRO  14           2HB      PRO  14  -1.571   9.943  -4.225
   93    HG2  PRO  14           1HG      PRO  14  -0.797   8.717  -1.601
   94    HG3  PRO  14           2HG      PRO  14  -2.337   9.530  -2.068
   95    HD2  PRO  14           1HD      PRO  14  -2.083   6.830  -1.955
   96    HD3  PRO  14           2HD      PRO  14  -3.123   7.645  -3.136
   97    H    ASN  15           H        ASN  15   1.647   9.732  -4.662
   98    HA   ASN  15           HA       ASN  15   3.708   7.792  -4.161
   99    HB2  ASN  15           1HB      ASN  15   3.958  10.795  -4.472
  100    HB3  ASN  15           2HB      ASN  15   5.261   9.608  -4.610
  101   HD21  ASN  15          1HD2      ASN  15   5.274   8.173  -6.394
  102   HD22  ASN  15          2HD2      ASN  15   4.462   8.583  -7.863
  103    H    CYS  16           H        CYS  16   5.558   8.477  -2.643
  104    HA   CYS  16           HA       CYS  16   6.325   8.838  -0.531
  105    HB2  CYS  16           1HB      CYS  16   5.262  11.115  -1.016
  106    HB3  CYS  16           2HB      CYS  16   3.907  10.562  -0.017
  107    H    LEU  17           H        LEU  17   3.913   6.980  -1.281
  108    HA   LEU  17           HA       LEU  17   3.439   6.129   1.491
  109    HB2  LEU  17           1HB      LEU  17   1.488   7.399   0.379
  110    HB3  LEU  17           2HB      LEU  17   1.298   5.934  -0.600
  111    HG   LEU  17           HG       LEU  17   1.051   4.665   1.581
  112   HD11  LEU  17          1HD1      LEU  17   2.029   6.433   3.007
  113   HD12  LEU  17          2HD1      LEU  17   0.436   5.906   3.548
  114   HD13  LEU  17          3HD1      LEU  17   0.613   7.434   2.687
  115   HD21  LEU  17          3HD2      LEU  17  -1.300   5.301   1.831
  116   HD22  LEU  17          1HD2      LEU  17  -0.838   5.171   0.133
  117   HD23  LEU  17          2HD2      LEU  17  -1.005   6.759   0.882
  118    H    CYS  18           H        CYS  18   2.817   3.860   1.686
  119    HA   CYS  18           HA       CYS  18   3.800   2.234  -0.567
  120    HB2  CYS  18           1HB      CYS  18   4.108   1.661   2.386
  121    HB3  CYS  18           2HB      CYS  18   4.709   0.647   1.062
  122    H    CYS  19           H        CYS  19   2.575   0.545  -1.203
  123    HA   CYS  19           HA       CYS  19   0.021   0.163   0.186
  124    HB2  CYS  19           1HB      CYS  19  -0.010   0.791  -2.215
  125    HB3  CYS  19           2HB      CYS  19   0.823  -0.727  -2.591
  126    H    GLY  20           H        GLY  20   0.109  -1.417   1.653
  127    HA2  GLY  20           2HA      GLY  20   1.946  -3.564   1.602
  128    HA3  GLY  20           3HA      GLY  20   0.522  -3.456   2.627
  129    H    LYS  21           H        LYS  21   1.826  -5.621   0.885
  130    HA   LYS  21           HA       LYS  21   0.357  -6.349  -1.290
  131    HB2  LYS  21           1HB      LYS  21   2.270  -7.631  -0.450
  132    HB3  LYS  21           2HB      LYS  21   1.297  -8.185   0.923
  133    HG2  LYS  21           1HG      LYS  21   0.079  -8.735  -1.683
  134    HG3  LYS  21           2HG      LYS  21   1.635  -9.540  -1.418
  135    HD2  LYS  21           1HD      LYS  21   0.476 -10.022   0.967
  136    HD3  LYS  21           2HD      LYS  21  -0.963  -9.941  -0.065
  137    HE2  LYS  21           1HE      LYS  21  -0.507 -11.901  -1.069
  138    HE3  LYS  21           2HE      LYS  21   1.210 -11.506  -1.230
  139    HZ1  LYS  21           3HZ      LYS  21   1.163 -13.312   0.211
  140    HZ2  LYS  21           1HZ      LYS  21  -0.176 -12.736   1.069
  141    HZ3  LYS  21           2HZ      LYS  21   1.330 -11.991   1.254
  142    H    TYR  22           H        TYR  22  -0.638  -6.428   2.056
  143    HA   TYR  22           HA       TYR  22  -3.037  -7.944   1.516
  144    HB2  TYR  22           1HB      TYR  22  -1.977  -6.532   3.968
  145    HB3  TYR  22           2HB      TYR  22  -3.563  -7.307   3.932
  146    HD1  TYR  22           1HD      TYR  22   0.063  -7.987   3.556
  147    HD2  TYR  22           2HD      TYR  22  -3.802  -9.633   4.228
  148    HE1  TYR  22           1HE      TYR  22   1.089 -10.152   4.115
  149    HE2  TYR  22           2HE      TYR  22  -2.787 -11.802   4.789
  150    HH   TYR  22           HH       TYR  22   0.724 -12.290   4.609
  151    H    GLY  23           H        GLY  23  -2.809  -5.616  -0.073
  152    HA2  GLY  23           2HA      GLY  23  -3.946  -3.706  -0.680
  153    HA3  GLY  23           3HA      GLY  23  -5.333  -4.565  -0.029
  154    H    PHE  24           H        PHE  24  -2.497  -3.269   1.661
  155    HA   PHE  24           HA       PHE  24  -4.274  -1.377   3.046
  156    HB2  PHE  24           1HB      PHE  24  -3.645  -3.512   4.361
  157    HB3  PHE  24           2HB      PHE  24  -2.035  -2.797   4.470
  158    HD1  PHE  24           2HD      PHE  24  -5.592  -1.857   5.079
  159    HD2  PHE  24           1HD      PHE  24  -1.526  -1.485   6.283
  160    HE1  PHE  24           2HE      PHE  24  -6.293  -0.522   7.023
  161    HE2  PHE  24           1HE      PHE  24  -2.221  -0.152   8.230
  162    HZ   PHE  24           HZ       PHE  24  -4.606   0.334   8.602
  163    H    CYS  25           H        CYS  25  -3.606   0.539   2.299
  164    HA   CYS  25           HA       CYS  25  -0.789   1.040   1.801
  165    HB2  CYS  25           1HB      CYS  25  -3.339   2.534   1.284
  166    HB3  CYS  25           2HB      CYS  25  -1.782   3.375   1.188
  167    H    GLY  26           H        GLY  26   0.544   1.911   3.241
  168    HA2  GLY  26           2HA      GLY  26  -0.488   3.811   5.209
  169    HA3  GLY  26           3HA      GLY  26   0.270   2.352   5.829
  170    H    SER  27           H        SER  27   1.800   3.775   6.864
  171    HA   SER  27           HA       SER  27   3.961   4.548   5.028
  172    HB2  SER  27           1HB      SER  27   2.601   6.544   5.829
  173    HB3  SER  27           2HB      SER  27   3.213   6.186   7.454
  174    HG   SER  27           HG       SER  27   4.565   7.691   6.478
  175    H    GLY  28           H        GLY  28   5.901   5.297   6.685
  176    HA2  GLY  28           2HA      GLY  28   7.434   4.606   8.262
  177    HA3  GLY  28           3HA      GLY  28   6.156   3.666   9.017
  178    H    ASP  29           H        ASP  29   8.823   2.795   8.759
  179    HA   ASP  29           HA       ASP  29   9.249   1.113   6.543
  180    HB2  ASP  29           1HB      ASP  29  10.338   0.980   9.366
  181    HB3  ASP  29           2HB      ASP  29  10.922  -0.020   8.028
  182    HD2  ASP  29           HD       ASP  29  12.848   2.522   6.774
  183    H    ALA  30           H        ALA  30   7.146   0.827   9.199
  184    HA   ALA  30           HA       ALA  30   7.045  -1.950   9.569
  185    HB1  ALA  30           1HB      ALA  30   4.674  -1.472  10.356
  186    HB2  ALA  30           2HB      ALA  30   5.978  -0.623  11.188
  187    HB3  ALA  30           3HB      ALA  30   5.009   0.219   9.979
  188    H    TYR  31           H        TYR  31   5.602   0.128   7.149
  189    HA   TYR  31           HA       TYR  31   4.424  -2.255   5.875
  190    HB2  TYR  31           1HB      TYR  31   3.486   0.622   5.737
  191    HB3  TYR  31           2HB      TYR  31   2.783  -0.715   4.826
  192    HD1  TYR  31           1HD      TYR  31   2.084  -2.806   6.351
  193    HD2  TYR  31           2HD      TYR  31   2.404   1.217   7.698
  194    HE1  TYR  31           1HE      TYR  31   0.565  -3.317   8.217
  195    HE2  TYR  31           2HE      TYR  31   0.886   0.717   9.568
  196    HH   TYR  31           HH       TYR  31  -0.643  -0.804  10.342
  197    H    CYS  32           H        CYS  32   6.622   0.338   5.599
  198    HA   CYS  32           HA       CYS  32   6.745   0.224   2.695
  199    HB2  CYS  32           1HB      CYS  32   8.054   1.900   4.812
  200    HB3  CYS  32           2HB      CYS  32   8.717   1.866   3.169
  201    H    GLY  33           H        GLY  33   8.366  -1.078   5.461
  202    HA2  GLY  33           2HA      GLY  33  10.882  -1.660   4.388
  203    HA3  GLY  33           3HA      GLY  33  10.095  -2.572   5.667
  204    H    ALA  34           H        ALA  34  11.730  -3.814   3.823
  205    HA   ALA  34           HA       ALA  34  10.148  -4.964   1.710
  206    HB1  ALA  34           1HB      ALA  34  12.398  -6.549   1.994
  207    HB2  ALA  34           2HB      ALA  34  12.214  -5.174   0.906
  208    HB3  ALA  34           3HB      ALA  34  12.937  -4.947   2.497
  209    H    GLY  35           H        GLY  35   8.610  -6.405   2.143
  210    HA2  GLY  35           2HA      GLY  35   8.881  -8.936   2.997
  211    HA3  GLY  35           3HA      GLY  35   8.753  -8.066   4.519
  212    H    SER  36           H        SER  36   6.945  -6.065   3.178
  213    HA   SER  36           HA       SER  36   4.552  -7.702   2.764
  214    HB2  SER  36           1HB      SER  36   4.760  -7.018   5.206
  215    HB3  SER  36           2HB      SER  36   4.542  -5.347   4.657
  216    HG   SER  36           HG       SER  36   2.718  -7.467   4.167
  217    H    CYS  37           H        CYS  37   6.465  -5.636   1.391
  218    HA   CYS  37           HA       CYS  37   4.533  -3.629   0.550
  219    HB2  CYS  37           1HB      CYS  37   6.981  -3.153   1.044
  220    HB3  CYS  37           2HB      CYS  37   7.346  -3.977  -0.481
  221    H    GLN  38           H        GLN  38   3.498  -3.595  -1.365
  222    HA   GLN  38           HA       GLN  38   4.178  -5.684  -3.326
  223    HB2  GLN  38           1HB      GLN  38   2.146  -6.339  -2.190
  224    HB3  GLN  38           2HB      GLN  38   1.434  -4.745  -2.481
  225    HG2  GLN  38           1HG      GLN  38   2.176  -5.719  -5.007
  226    HG3  GLN  38           2HG      GLN  38   1.424  -7.074  -4.152
  227   HE21  GLN  38          1HE2      GLN  38  -0.639  -6.447  -2.959
  228   HE22  GLN  38          2HE2      GLN  38  -1.749  -5.453  -3.834
  229    H    SER  39           H        SER  39   2.396  -2.625  -2.928
  230    HA   SER  39           HA       SER  39   3.423  -1.799  -5.561
  231    HB2  SER  39           1HB      SER  39   0.922  -2.452  -5.459
  232    HB3  SER  39           2HB      SER  39   0.717  -0.942  -4.555
  233    HG   SER  39           HG       SER  39   0.985  -1.287  -7.203
  234    H    GLN  40           H        GLN  40   3.642   0.503  -5.855
  235    HA   GLN  40           HA       GLN  40   4.405   2.549  -5.222
  236    HB2  GLN  40           1HB      GLN  40   2.399   2.014  -3.027
  237    HB3  GLN  40           2HB      GLN  40   3.274   3.547  -3.173
  238    HG2  GLN  40           1HG      GLN  40   1.240   3.966  -4.217
  239    HG3  GLN  40           2HG      GLN  40   2.357   3.647  -5.551
  240   HE21  GLN  40          1HE2      GLN  40   1.252   2.671  -7.091
  241   HE22  GLN  40          2HE2      GLN  40   0.194   1.320  -6.881
  242    H    CYS  41           H        CYS  41   6.100   0.488  -4.596
  243    HA   CYS  41           HA       CYS  41   6.959   0.676  -1.854
  244    HB2  CYS  41           1HB      CYS  41   8.111  -0.663  -4.298
  245    HB3  CYS  41           2HB      CYS  41   8.906  -0.712  -2.716
  246    H    ARG  42           H        ARG  42   7.065   3.137  -2.199
  247    HA   ARG  42           HA       ARG  42   9.819   3.872  -2.267
  248    HB2  ARG  42           1HB      ARG  42   9.107   3.764  -4.725
  249    HB3  ARG  42           2HB      ARG  42   8.121   5.192  -4.374
  250    HG2  ARG  42           1HG      ARG  42  10.560   5.917  -3.355
  251    HG3  ARG  42           2HG      ARG  42  10.998   4.960  -4.781
  252    HD2  ARG  42           1HD      ARG  42   8.982   6.475  -5.797
  253    HD3  ARG  42           2HD      ARG  42   9.666   7.578  -4.594
  254    HE   ARG  42           HE       ARG  42  11.551   7.788  -5.888
  255   HH11  ARG  42          1HH1      ARG  42   9.648   5.106  -7.030
  256   HH12  ARG  42          2HH1      ARG  42  10.587   4.883  -8.469
  257   HH21  ARG  42          1HH2      ARG  42  12.795   7.505  -7.779
  258   HH22  ARG  42          2HH2      ARG  42  12.377   6.248  -8.894
  259    H    GLY  43           H        GLY  43   7.353   4.030  -0.600
  260    HA2  GLY  43           2HA      GLY  43   6.510   6.742  -0.468
  261    HA3  GLY  43           3HA      GLY  43   6.268   5.522   0.772
  262    H    CYS  44           H        CYS  44   6.683   7.825   1.837
  263    HA   CYS  44           HA       CYS  44   9.544   8.247   2.261
  264    HB2  CYS  44           1HB      CYS  44   7.275   9.846   3.436
  265    HB3  CYS  44           2HB      CYS  44   8.966  10.339   3.246
  Start of MODEL   17
    1    H1   ALA   1           H        ALA   1  -6.060   6.304   7.459
    2    HA   ALA   1           HA       ALA   1  -3.874   4.776   6.249
    3    HB1  ALA   1           1HB      ALA   1  -6.054   3.514   7.909
    4    HB2  ALA   1           2HB      ALA   1  -4.802   2.657   7.010
    5    HB3  ALA   1           3HB      ALA   1  -4.362   3.676   8.380
    6    H    GLN   2           H        GLN   2  -4.419   3.686   4.365
    7    HA   GLN   2           HA       GLN   2  -7.182   3.935   3.416
    8    HB2  GLN   2           1HB      GLN   2  -6.253   4.581   1.150
    9    HB3  GLN   2           2HB      GLN   2  -6.161   5.824   2.410
   10    HG2  GLN   2           1HG      GLN   2  -3.776   4.178   2.361
   11    HG3  GLN   2           2HG      GLN   2  -4.095   4.936   0.794
   12   HE21  GLN   2          1HE2      GLN   2  -3.127   5.421   4.047
   13   HE22  GLN   2          2HE2      GLN   2  -2.788   7.111   3.930
   14    H    ARG   3           H        ARG   3  -7.831   2.376   1.923
   15    HA   ARG   3           HA       ARG   3  -6.120   0.003   1.864
   16    HB2  ARG   3           1HB      ARG   3  -9.048   0.313   1.155
   17    HB3  ARG   3           2HB      ARG   3  -8.154  -1.213   1.237
   18    HG2  ARG   3           1HG      ARG   3  -7.660  -0.417   3.702
   19    HG3  ARG   3           2HG      ARG   3  -9.134   0.528   3.435
   20    HD2  ARG   3           1HD      ARG   3 -10.363  -1.279   3.865
   21    HD3  ARG   3           2HD      ARG   3  -9.641  -2.069   2.455
   22    HE   ARG   3           HE       ARG   3  -8.343  -3.324   3.863
   23   HH11  ARG   3          1HH1      ARG   3  -9.658  -0.626   5.626
   24   HH12  ARG   3          2HH1      ARG   3  -9.100  -1.192   7.165
   25   HH21  ARG   3          1HH2      ARG   3  -7.604  -4.080   5.884
   26   HH22  ARG   3          2HH2      ARG   3  -7.931  -3.157   7.310
   27    H    CYS   4           H        CYS   4  -5.532  -1.035  -0.019
   28    HA   CYS   4           HA       CYS   4  -6.314   0.168  -2.569
   29    HB2  CYS   4           1HB      CYS   4  -3.873  -0.003  -3.286
   30    HB3  CYS   4           2HB      CYS   4  -4.301   1.338  -2.211
   31    H    GLY   5           H        GLY   5  -4.871  -1.216  -4.331
   32    HA2  GLY   5           2HA      GLY   5  -4.650  -3.250  -5.373
   33    HA3  GLY   5           3HA      GLY   5  -4.466  -3.952  -3.773
   34    H    ASP   6           H        ASP   6  -5.678  -5.779  -4.268
   35    HA   ASP   6           HA       ASP   6  -8.195  -5.803  -5.479
   36    HB2  ASP   6           1HB      ASP   6  -6.577  -7.754  -4.864
   37    HB3  ASP   6           2HB      ASP   6  -7.467  -7.773  -3.334
   38    HD2  ASP   6           HD       ASP   6 -10.036  -8.361  -6.230
   39    H    GLN   7           H        GLN   7  -7.246  -4.824  -2.330
   40    HA   GLN   7           HA       GLN   7  -9.841  -5.170  -1.123
   41    HB2  GLN   7           1HB      GLN   7  -7.316  -3.782  -0.215
   42    HB3  GLN   7           2HB      GLN   7  -8.798  -3.828   0.750
   43    HG2  GLN   7           1HG      GLN   7  -7.611  -6.384  -0.244
   44    HG3  GLN   7           2HG      GLN   7  -6.909  -5.569   1.161
   45   HE21  GLN   7          1HE2      GLN   7  -7.490  -6.992   2.713
   46   HE22  GLN   7          2HE2      GLN   7  -9.125  -7.343   3.144
   47    H    ALA   8           H        ALA   8  -8.752  -3.106  -3.398
   48    HA   ALA   8           HA       ALA   8 -10.749  -1.090  -2.669
   49    HB1  ALA   8           1HB      ALA   8  -8.046  -0.292  -3.722
   50    HB2  ALA   8           2HB      ALA   8  -9.322   0.750  -3.091
   51    HB3  ALA   8           3HB      ALA   8  -8.439  -0.321  -2.003
   52    H    ARG   9           H        ARG   9 -10.828  -3.260  -4.555
   53    HA   ARG   9           HA       ARG   9 -11.456  -3.700  -6.696
   54    HB2  ARG   9           1HB      ARG   9 -12.980  -1.725  -6.058
   55    HB3  ARG   9           2HB      ARG   9 -11.904  -0.749  -7.070
   56    HG2  ARG   9           1HG      ARG   9 -12.699  -1.600  -9.001
   57    HG3  ARG   9           2HG      ARG   9 -12.924  -3.216  -8.310
   58    HD2  ARG   9           1HD      ARG   9 -15.057  -2.803  -7.666
   59    HD3  ARG   9           2HD      ARG   9 -14.694  -1.128  -7.228
   60    HE   ARG   9           HE       ARG   9 -14.571  -1.243  -9.985
   61   HH11  ARG   9          1HH1      ARG   9 -16.950  -1.803  -7.506
   62   HH12  ARG   9          2HH1      ARG   9 -18.289  -1.349  -8.506
   63   HH21  ARG   9          1HH2      ARG   9 -16.327  -0.643 -11.313
   64   HH22  ARG   9          2HH2      ARG   9 -17.935  -0.690 -10.671
   65    H    GLY  10           H        GLY  10  -8.663  -3.047  -6.120
   66    HA2  GLY  10           2HA      GLY  10  -6.761  -3.078  -7.448
   67    HA3  GLY  10           3HA      GLY  10  -7.775  -2.778  -8.851
   68    H    ALA  11           H        ALA  11  -8.019  -0.705  -6.084
   69    HA   ALA  11           HA       ALA  11  -7.248   1.571  -7.665
   70    HB1  ALA  11           1HB      ALA  11  -7.899   1.478  -4.724
   71    HB2  ALA  11           2HB      ALA  11  -7.900   2.896  -5.774
   72    HB3  ALA  11           3HB      ALA  11  -9.100   1.625  -6.008
   73    H    LYS  12           H        LYS  12  -5.382   2.695  -7.618
   74    HA   LYS  12           HA       LYS  12  -3.184   1.562  -6.056
   75    HB2  LYS  12           1HB      LYS  12  -3.264   3.458  -8.410
   76    HB3  LYS  12           2HB      LYS  12  -1.775   3.049  -7.542
   77    HG2  LYS  12           1HG      LYS  12  -1.838   0.806  -8.234
   78    HG3  LYS  12           2HG      LYS  12  -3.528   0.937  -8.752
   79    HD2  LYS  12           1HD      LYS  12  -2.367   1.000 -10.769
   80    HD3  LYS  12           2HD      LYS  12  -2.650   2.713 -10.412
   81    HE2  LYS  12           1HE      LYS  12  -0.339   2.654  -9.264
   82    HE3  LYS  12           2HE      LYS  12  -0.113   1.132 -10.141
   83    HZ1  LYS  12           3HZ      LYS  12  -0.938   3.587 -11.560
   84    HZ2  LYS  12           1HZ      LYS  12  -0.190   2.202 -12.183
   85    HZ3  LYS  12           2HZ      LYS  12   0.693   3.282 -11.227
   86    H    CYS  13           H        CYS  13  -1.632   3.026  -5.031
   87    HA   CYS  13           HA       CYS  13  -3.011   5.318  -3.813
   88    HB2  CYS  13           1HB      CYS  13  -0.861   3.454  -2.862
   89    HB3  CYS  13           2HB      CYS  13  -1.048   5.051  -2.115
   90    HA   PRO  14           HA       PRO  14  -0.238   8.242  -5.544
   91    HB2  PRO  14           1HB      PRO  14   0.073  10.025  -3.488
   92    HB3  PRO  14           2HB      PRO  14  -1.414   9.867  -4.424
   93    HG2  PRO  14           1HG      PRO  14  -0.706   8.676  -1.763
   94    HG3  PRO  14           2HG      PRO  14  -2.227   9.494  -2.278
   95    HD2  PRO  14           1HD      PRO  14  -1.996   6.795  -2.117
   96    HD3  PRO  14           2HD      PRO  14  -3.006   7.599  -3.332
   97    H    ASN  15           H        ASN  15   1.812   9.625  -4.788
   98    HA   ASN  15           HA       ASN  15   3.846   7.677  -4.213
   99    HB2  ASN  15           1HB      ASN  15   4.279  10.656  -4.440
  100    HB3  ASN  15           2HB      ASN  15   5.412   9.350  -4.809
  101   HD21  ASN  15          1HD2      ASN  15   4.288   7.717  -6.457
  102   HD22  ASN  15          2HD2      ASN  15   3.704   8.491  -7.887
  103    H    CYS  16           H        CYS  16   5.670   8.374  -2.668
  104    HA   CYS  16           HA       CYS  16   6.395   8.764  -0.546
  105    HB2  CYS  16           1HB      CYS  16   5.358  11.040  -1.090
  106    HB3  CYS  16           2HB      CYS  16   3.980  10.513  -0.110
  107    H    LEU  17           H        LEU  17   3.982   6.914  -1.316
  108    HA   LEU  17           HA       LEU  17   3.444   6.112   1.457
  109    HB2  LEU  17           1HB      LEU  17   1.527   7.376   0.284
  110    HB3  LEU  17           2HB      LEU  17   1.347   5.896  -0.675
  111    HG   LEU  17           HG       LEU  17   1.045   4.666   1.522
  112   HD11  LEU  17          1HD1      LEU  17   0.669   7.475   2.551
  113   HD12  LEU  17          2HD1      LEU  17   1.994   6.391   2.974
  114   HD13  LEU  17          3HD1      LEU  17   0.342   5.986   3.439
  115   HD21  LEU  17          3HD2      LEU  17  -0.797   5.229  -0.016
  116   HD22  LEU  17          1HD2      LEU  17  -1.005   6.767   0.822
  117   HD23  LEU  17          2HD2      LEU  17  -1.299   5.251   1.675
  118    H    CYS  18           H        CYS  18   2.800   3.850   1.678
  119    HA   CYS  18           HA       CYS  18   3.819   2.179  -0.526
  120    HB2  CYS  18           1HB      CYS  18   4.060   1.656   2.441
  121    HB3  CYS  18           2HB      CYS  18   4.678   0.612   1.150
  122    H    CYS  19           H        CYS  19   2.598   0.489  -1.162
  123    HA   CYS  19           HA       CYS  19   0.009   0.149   0.177
  124    HB2  CYS  19           1HB      CYS  19   0.036   0.736  -2.232
  125    HB3  CYS  19           2HB      CYS  19   0.868  -0.792  -2.567
  126    H    GLY  20           H        GLY  20   0.054  -1.408   1.672
  127    HA2  GLY  20           2HA      GLY  20   1.875  -3.568   1.699
  128    HA3  GLY  20           3HA      GLY  20   0.429  -3.431   2.689
  129    H    LYS  21           H        LYS  21   1.755  -5.635   1.013
  130    HA   LYS  21           HA       LYS  21   0.328  -6.390  -1.181
  131    HB2  LYS  21           1HB      LYS  21   2.183  -7.705  -0.384
  132    HB3  LYS  21           2HB      LYS  21   1.297  -8.128   1.091
  133    HG2  LYS  21           1HG      LYS  21   0.315  -9.864   0.116
  134    HG3  LYS  21           2HG      LYS  21  -0.192  -8.875  -1.265
  135    HD2  LYS  21           1HD      LYS  21   1.959  -9.161  -2.335
  136    HD3  LYS  21           2HD      LYS  21   2.574 -10.030  -0.917
  137    HE2  LYS  21           1HE      LYS  21   2.021 -11.685  -2.535
  138    HE3  LYS  21           2HE      LYS  21   0.759 -11.730  -1.295
  139    HZ1  LYS  21           3HZ      LYS  21  -0.461 -10.120  -2.874
  140    HZ2  LYS  21           1HZ      LYS  21  -0.441 -11.771  -3.245
  141    HZ3  LYS  21           2HZ      LYS  21   0.599 -10.710  -4.052
  142    H    TYR  22           H        TYR  22  -0.740  -6.404   2.142
  143    HA   TYR  22           HA       TYR  22  -3.138  -7.913   1.576
  144    HB2  TYR  22           1HB      TYR  22  -2.437  -6.328   4.059
  145    HB3  TYR  22           2HB      TYR  22  -3.685  -7.567   3.913
  146    HD1  TYR  22           2HD      TYR  22  -3.001  -9.960   3.476
  147    HD2  TYR  22           1HD      TYR  22  -0.205  -6.946   4.569
  148    HE1  TYR  22           2HE      TYR  22  -1.395 -11.700   4.139
  149    HE2  TYR  22           1HE      TYR  22   1.410  -8.677   5.234
  150    HH   TYR  22           HH       TYR  22   1.894 -10.900   5.079
  151    H    GLY  23           H        GLY  23  -2.857  -5.613  -0.047
  152    HA2  GLY  23           2HA      GLY  23  -3.967  -3.706  -0.711
  153    HA3  GLY  23           3HA      GLY  23  -5.374  -4.546  -0.075
  154    H    PHE  24           H        PHE  24  -2.566  -3.239   1.653
  155    HA   PHE  24           HA       PHE  24  -4.359  -1.311   2.966
  156    HB2  PHE  24           1HB      PHE  24  -3.841  -3.384   4.363
  157    HB3  PHE  24           2HB      PHE  24  -2.178  -2.797   4.429
  158    HD1  PHE  24           2HD      PHE  24  -5.643  -1.583   5.076
  159    HD2  PHE  24           1HD      PHE  24  -1.535  -1.459   6.180
  160    HE1  PHE  24           2HE      PHE  24  -6.205  -0.145   6.990
  161    HE2  PHE  24           1HE      PHE  24  -2.090  -0.020   8.097
  162    HZ   PHE  24           HZ       PHE  24  -4.427   0.640   8.504
  163    H    CYS  25           H        CYS  25  -3.660   0.587   2.205
  164    HA   CYS  25           HA       CYS  25  -0.828   1.058   1.760
  165    HB2  CYS  25           1HB      CYS  25  -3.354   2.562   1.164
  166    HB3  CYS  25           2HB      CYS  25  -1.790   3.391   1.088
  167    H    GLY  26           H        GLY  26   0.480   1.943   3.214
  168    HA2  GLY  26           2HA      GLY  26  -0.579   3.882   5.128
  169    HA3  GLY  26           3HA      GLY  26   0.154   2.428   5.788
  170    H    SER  27           H        SER  27   1.672   3.856   6.832
  171    HA   SER  27           HA       SER  27   3.877   4.583   5.031
  172    HB2  SER  27           1HB      SER  27   2.518   6.603   5.769
  173    HB3  SER  27           2HB      SER  27   3.089   6.267   7.413
  174    HG   SER  27           HG       SER  27   4.414   7.404   5.314
  175    H    GLY  28           H        GLY  28   5.787   5.346   6.718
  176    HA2  GLY  28           2HA      GLY  28   7.281   4.671   8.339
  177    HA3  GLY  28           3HA      GLY  28   5.980   3.753   9.082
  178    H    ASP  29           H        ASP  29   8.644   2.857   8.897
  179    HA   ASP  29           HA       ASP  29   9.104   1.134   6.720
  180    HB2  ASP  29           1HB      ASP  29  10.194   1.377   9.499
  181    HB3  ASP  29           2HB      ASP  29  10.573  -0.070   8.555
  182    HD2  ASP  29           HD       ASP  29  12.709   1.659   6.461
  183    H    ALA  30           H        ALA  30   6.940   0.910   9.332
  184    HA   ALA  30           HA       ALA  30   6.808  -1.860   9.746
  185    HB1  ALA  30           1HB      ALA  30   4.204  -0.825  10.034
  186    HB2  ALA  30           2HB      ALA  30   5.396  -1.137  11.296
  187    HB3  ALA  30           3HB      ALA  30   5.318   0.449  10.530
  188    H    TYR  31           H        TYR  31   5.434   0.189   7.261
  189    HA   TYR  31           HA       TYR  31   4.267  -2.206   5.999
  190    HB2  TYR  31           1HB      TYR  31   3.354   0.678   5.815
  191    HB3  TYR  31           2HB      TYR  31   2.673  -0.655   4.878
  192    HD1  TYR  31           2HD      TYR  31   1.494  -2.531   6.068
  193    HD2  TYR  31           1HD      TYR  31   2.629   1.060   8.046
  194    HE1  TYR  31           2HE      TYR  31  -0.092  -3.034   7.880
  195    HE2  TYR  31           1HE      TYR  31   1.048   0.567   9.864
  196    HH   TYR  31           HH       TYR  31  -0.395  -2.457  10.273
  197    H    CYS  32           H        CYS  32   6.491   0.365   5.730
  198    HA   CYS  32           HA       CYS  32   6.680   0.201   2.831
  199    HB2  CYS  32           1HB      CYS  32   7.953   1.902   4.949
  200    HB3  CYS  32           2HB      CYS  32   8.654   1.835   3.323
  201    H    GLY  33           H        GLY  33   8.226  -1.068   5.655
  202    HA2  GLY  33           2HA      GLY  33  10.761  -1.687   4.649
  203    HA3  GLY  33           3HA      GLY  33   9.937  -2.572   5.925
  204    H    ALA  34           H        ALA  34  11.604  -3.857   4.140
  205    HA   ALA  34           HA       ALA  34  10.061  -5.029   2.010
  206    HB1  ALA  34           1HB      ALA  34  12.148  -6.605   1.997
  207    HB2  ALA  34           2HB      ALA  34  12.285  -4.938   1.433
  208    HB3  ALA  34           3HB      ALA  34  12.834  -5.369   3.052
  209    H    GLY  35           H        GLY  35   8.499  -6.448   2.434
  210    HA2  GLY  35           2HA      GLY  35   8.733  -8.968   3.334
  211    HA3  GLY  35           3HA      GLY  35   8.579  -8.072   4.838
  212    H    SER  36           H        SER  36   6.816  -6.081   3.424
  213    HA   SER  36           HA       SER  36   4.420  -7.705   2.985
  214    HB2  SER  36           1HB      SER  36   4.369  -7.136   5.361
  215    HB3  SER  36           2HB      SER  36   4.593  -5.422   4.967
  216    HG   SER  36           HG       SER  36   2.474  -5.461   5.033
  217    H    CYS  37           H        CYS  37   6.379  -5.677   1.621
  218    HA   CYS  37           HA       CYS  37   4.482  -3.670   0.703
  219    HB2  CYS  37           1HB      CYS  37   6.921  -3.202   1.244
  220    HB3  CYS  37           2HB      CYS  37   7.316  -4.056  -0.258
  221    H    GLN  38           H        GLN  38   3.491  -3.660  -1.235
  222    HA   GLN  38           HA       GLN  38   4.199  -5.787  -3.144
  223    HB2  GLN  38           1HB      GLN  38   2.138  -6.409  -2.043
  224    HB3  GLN  38           2HB      GLN  38   1.443  -4.815  -2.377
  225    HG2  GLN  38           1HG      GLN  38   2.234  -5.836  -4.869
  226    HG3  GLN  38           2HG      GLN  38   1.452  -7.169  -4.009
  227   HE21  GLN  38          1HE2      GLN  38  -0.631  -6.505  -2.871
  228   HE22  GLN  38          2HE2      GLN  38  -1.713  -5.519  -3.789
  229    H    SER  39           H        SER  39   2.428  -2.709  -2.838
  230    HA   SER  39           HA       SER  39   3.519  -1.935  -5.461
  231    HB2  SER  39           1HB      SER  39   1.010  -2.567  -5.401
  232    HB3  SER  39           2HB      SER  39   0.799  -1.040  -4.527
  233    HG   SER  39           HG       SER  39   1.943  -0.054  -6.354
  234    H    GLN  40           H        GLN  40   3.762   0.361  -5.788
  235    HA   GLN  40           HA       GLN  40   4.527   2.411  -5.171
  236    HB2  GLN  40           1HB      GLN  40   2.471   1.928  -3.013
  237    HB3  GLN  40           2HB      GLN  40   3.360   3.450  -3.164
  238    HG2  GLN  40           1HG      GLN  40   1.354   3.871  -4.260
  239    HG3  GLN  40           2HG      GLN  40   2.497   3.519  -5.564
  240   HE21  GLN  40          1HE2      GLN  40   1.421   2.521  -7.111
  241   HE22  GLN  40          2HE2      GLN  40   0.345   1.187  -6.900
  242    H    CYS  41           H        CYS  41   6.193   0.349  -4.476
  243    HA   CYS  41           HA       CYS  41   6.995   0.577  -1.719
  244    HB2  CYS  41           1HB      CYS  41   8.187  -0.814  -4.116
  245    HB3  CYS  41           2HB      CYS  41   8.949  -0.841  -2.517
  246    H    ARG  42           H        ARG  42   7.126   3.030  -2.102
  247    HA   ARG  42           HA       ARG  42   9.888   3.745  -2.125
  248    HB2  ARG  42           1HB      ARG  42   9.191   3.600  -4.600
  249    HB3  ARG  42           2HB      ARG  42   8.260   5.070  -4.278
  250    HG2  ARG  42           1HG      ARG  42  10.641   5.815  -3.262
  251    HG3  ARG  42           2HG      ARG  42  11.168   4.692  -4.529
  252    HD2  ARG  42           1HD      ARG  42   9.236   6.152  -5.825
  253    HD3  ARG  42           2HD      ARG  42   9.973   7.352  -4.755
  254    HE   ARG  42           HE       ARG  42  11.835   7.320  -6.074
  255   HH11  ARG  42          1HH1      ARG  42   9.988   4.429  -6.672
  256   HH12  ARG  42          2HH1      ARG  42  10.991   3.904  -7.984
  257   HH21  ARG  42          1HH2      ARG  42  13.162   6.638  -7.799
  258   HH22  ARG  42          2HH2      ARG  42  12.796   5.161  -8.623
  259    H    GLY  43           H        GLY  43   7.389   3.947  -0.514
  260    HA2  GLY  43           2HA      GLY  43   6.563   6.667  -0.444
  261    HA3  GLY  43           3HA      GLY  43   6.287   5.471   0.813
  262    H    CYS  44           H        CYS  44   6.697   7.788   1.847
  263    HA   CYS  44           HA       CYS  44   9.552   8.198   2.321
  264    HB2  CYS  44           1HB      CYS  44   7.271   9.832   3.423
  265    HB3  CYS  44           2HB      CYS  44   8.970  10.311   3.259
  Start of MODEL   18
    1    H1   ALA   1           H        ALA   1  -4.736   6.720   7.831
    2    HA   ALA   1           HA       ALA   1  -3.718   4.386   6.520
    3    HB1  ALA   1           1HB      ALA   1  -4.417   4.007   8.713
    4    HB2  ALA   1           2HB      ALA   1  -5.933   4.878   8.481
    5    HB3  ALA   1           3HB      ALA   1  -5.702   3.296   7.735
    6    H    GLN   2           H        GLN   2  -4.234   3.804   4.523
    7    HA   GLN   2           HA       GLN   2  -7.011   4.098   3.632
    8    HB2  GLN   2           1HB      GLN   2  -6.124   4.732   1.347
    9    HB3  GLN   2           2HB      GLN   2  -5.981   5.970   2.604
   10    HG2  GLN   2           1HG      GLN   2  -3.624   4.297   2.520
   11    HG3  GLN   2           2HG      GLN   2  -3.966   5.026   0.944
   12   HE21  GLN   2          1HE2      GLN   2  -3.690   7.184   0.652
   13   HE22  GLN   2          2HE2      GLN   2  -3.034   8.240   1.851
   14    H    ARG   3           H        ARG   3  -7.716   2.547   2.154
   15    HA   ARG   3           HA       ARG   3  -6.042   0.149   2.060
   16    HB2  ARG   3           1HB      ARG   3  -8.978   0.503   1.409
   17    HB3  ARG   3           2HB      ARG   3  -8.107  -1.037   1.481
   18    HG2  ARG   3           1HG      ARG   3  -7.574   0.004   3.948
   19    HG3  ARG   3           2HG      ARG   3  -9.215   0.594   3.637
   20    HD2  ARG   3           1HD      ARG   3  -8.265  -2.277   3.574
   21    HD3  ARG   3           2HD      ARG   3  -9.354  -1.531   4.752
   22    HE   ARG   3           HE       ARG   3 -10.369  -1.317   2.097
   23   HH11  ARG   3          1HH1      ARG   3 -10.015  -3.492   4.793
   24   HH12  ARG   3          2HH1      ARG   3 -11.394  -4.453   4.366
   25   HH21  ARG   3          1HH2      ARG   3 -12.185  -2.574   1.526
   26   HH22  ARG   3          2HH2      ARG   3 -12.627  -3.929   2.507
   27    H    CYS   4           H        CYS   4  -5.507  -0.898   0.167
   28    HA   CYS   4           HA       CYS   4  -6.325   0.315  -2.367
   29    HB2  CYS   4           1HB      CYS   4  -3.902   0.106  -3.133
   30    HB3  CYS   4           2HB      CYS   4  -4.287   1.456  -2.052
   31    H    GLY   5           H        GLY   5  -4.940  -1.091  -4.157
   32    HA2  GLY   5           2HA      GLY   5  -4.771  -3.128  -5.202
   33    HA3  GLY   5           3HA      GLY   5  -4.563  -3.833  -3.606
   34    H    ASP   6           H        ASP   6  -5.811  -5.641  -4.076
   35    HA   ASP   6           HA       ASP   6  -8.356  -5.628  -5.232
   36    HB2  ASP   6           1HB      ASP   6  -6.763  -7.607  -4.671
   37    HB3  ASP   6           2HB      ASP   6  -7.587  -7.607  -3.107
   38    HD2  ASP   6           HD       ASP   6  -9.644  -8.774  -6.289
   39    H    GLN   7           H        GLN   7  -7.323  -4.665  -2.105
   40    HA   GLN   7           HA       GLN   7  -9.896  -4.975  -0.840
   41    HB2  GLN   7           1HB      GLN   7  -7.343  -3.600   0.018
   42    HB3  GLN   7           2HB      GLN   7  -8.802  -3.671   1.018
   43    HG2  GLN   7           1HG      GLN   7  -7.199  -6.035   0.043
   44    HG3  GLN   7           2HG      GLN   7  -7.210  -5.374   1.684
   45   HE21  GLN   7          1HE2      GLN   7  -8.432  -7.738  -0.236
   46   HE22  GLN   7          2HE2      GLN   7  -9.851  -8.140   0.663
   47    H    ALA   8           H        ALA   8  -8.827  -2.923  -3.139
   48    HA   ALA   8           HA       ALA   8 -10.778  -0.881  -2.365
   49    HB1  ALA   8           1HB      ALA   8  -8.023  -0.203  -3.384
   50    HB2  ALA   8           2HB      ALA   8  -9.301   0.934  -2.952
   51    HB3  ALA   8           3HB      ALA   8  -8.545  -0.058  -1.705
   52    H    ARG   9           H        ARG   9 -10.929  -3.048  -4.251
   53    HA   ARG   9           HA       ARG   9 -11.608  -3.478  -6.378
   54    HB2  ARG   9           1HB      ARG   9 -13.114  -1.519  -5.723
   55    HB3  ARG   9           2HB      ARG   9 -12.031  -0.513  -6.697
   56    HG2  ARG   9           1HG      ARG   9 -13.072  -1.093  -8.564
   57    HG3  ARG   9           2HG      ARG   9 -12.807  -2.810  -8.212
   58    HD2  ARG   9           1HD      ARG   9 -14.811  -2.865  -6.816
   59    HD3  ARG   9           2HD      ARG   9 -15.059  -1.137  -7.104
   60    HE   ARG   9           HE       ARG   9 -15.961  -1.639  -9.146
   61   HH11  ARG   9          1HH1      ARG   9 -14.235  -4.414  -7.949
   62   HH12  ARG   9          2HH1      ARG   9 -14.796  -5.469  -9.204
   63   HH21  ARG   9          1HH2      ARG   9 -16.707  -3.017 -10.805
   64   HH22  ARG   9          2HH2      ARG   9 -16.201  -4.672 -10.828
   65    H    GLY  10           H        GLY  10  -8.794  -2.862  -5.862
   66    HA2  GLY  10           2HA      GLY  10  -6.923  -2.916  -7.230
   67    HA3  GLY  10           3HA      GLY  10  -7.962  -2.603  -8.612
   68    H    ALA  11           H        ALA  11  -8.118  -0.528  -5.837
   69    HA   ALA  11           HA       ALA  11  -7.357   1.739  -7.434
   70    HB1  ALA  11           1HB      ALA  11  -7.943   3.070  -5.525
   71    HB2  ALA  11           2HB      ALA  11  -9.166   1.816  -5.732
   72    HB3  ALA  11           3HB      ALA  11  -7.937   1.651  -4.478
   73    H    LYS  12           H        LYS  12  -5.479   2.845  -7.425
   74    HA   LYS  12           HA       LYS  12  -3.255   1.681  -5.923
   75    HB2  LYS  12           1HB      LYS  12  -3.324   3.643  -8.227
   76    HB3  LYS  12           2HB      LYS  12  -1.841   3.076  -7.439
   77    HG2  LYS  12           1HG      LYS  12  -2.141   0.864  -8.207
   78    HG3  LYS  12           2HG      LYS  12  -3.811   1.195  -8.704
   79    HD2  LYS  12           1HD      LYS  12  -2.609   1.209 -10.715
   80    HD3  LYS  12           2HD      LYS  12  -2.800   2.923 -10.304
   81    HE2  LYS  12           1HE      LYS  12  -0.589   3.232 -10.142
   82    HE3  LYS  12           2HE      LYS  12  -0.408   1.802  -9.117
   83    HZ1  LYS  12           3HZ      LYS  12   0.805   1.688 -11.264
   84    HZ2  LYS  12           1HZ      LYS  12  -0.683   1.675 -12.069
   85    HZ3  LYS  12           2HZ      LYS  12  -0.275   0.409 -11.024
   86    H    CYS  13           H        CYS  13  -1.663   3.120  -4.927
   87    HA   CYS  13           HA       CYS  13  -2.983   5.426  -3.673
   88    HB2  CYS  13           1HB      CYS  13  -0.839   3.530  -2.775
   89    HB3  CYS  13           2HB      CYS  13  -0.988   5.126  -2.020
   90    HA   PRO  14           HA       PRO  14  -0.209   8.318  -5.457
   91    HB2  PRO  14           1HB      PRO  14   0.170  10.091  -3.404
   92    HB3  PRO  14           2HB      PRO  14  -1.338   9.955  -4.306
   93    HG2  PRO  14           1HG      PRO  14  -0.587   8.746  -1.665
   94    HG3  PRO  14           2HG      PRO  14  -2.110   9.586  -2.143
   95    HD2  PRO  14           1HD      PRO  14  -1.912   6.884  -1.995
   96    HD3  PRO  14           2HD      PRO  14  -2.936   7.704  -3.186
   97    H    ASN  15           H        ASN  15   1.875   9.671  -4.741
   98    HA   ASN  15           HA       ASN  15   3.894   7.693  -4.217
   99    HB2  ASN  15           1HB      ASN  15   4.001  10.658  -4.802
  100    HB3  ASN  15           2HB      ASN  15   5.447   9.693  -4.483
  101   HD21  ASN  15          1HD2      ASN  15   4.072  11.085  -6.902
  102   HD22  ASN  15          2HD2      ASN  15   4.275   9.925  -8.165
  103    H    CYS  16           H        CYS  16   5.762   8.363  -2.711
  104    HA   CYS  16           HA       CYS  16   6.538   8.736  -0.605
  105    HB2  CYS  16           1HB      CYS  16   5.524  11.027  -1.122
  106    HB3  CYS  16           2HB      CYS  16   4.160  10.519  -0.113
  107    H    LEU  17           H        LEU  17   4.090   6.918  -1.325
  108    HA   LEU  17           HA       LEU  17   3.598   6.120   1.459
  109    HB2  LEU  17           1HB      LEU  17   1.673   7.412   0.327
  110    HB3  LEU  17           2HB      LEU  17   1.453   5.936  -0.629
  111    HG   LEU  17           HG       LEU  17   1.178   4.706   1.569
  112   HD11  LEU  17          1HD1      LEU  17   2.176   6.360   3.034
  113   HD12  LEU  17          2HD1      LEU  17   0.499   6.067   3.493
  114   HD13  LEU  17          3HD1      LEU  17   0.926   7.527   2.601
  115   HD21  LEU  17          3HD2      LEU  17  -0.849   6.843   0.916
  116   HD22  LEU  17          1HD2      LEU  17  -1.152   5.335   1.781
  117   HD23  LEU  17          2HD2      LEU  17  -0.690   5.298   0.079
  118    H    CYS  18           H        CYS  18   2.925   3.867   1.688
  119    HA   CYS  18           HA       CYS  18   3.875   2.187  -0.539
  120    HB2  CYS  18           1HB      CYS  18   4.174   1.654   2.424
  121    HB3  CYS  18           2HB      CYS  18   4.751   0.606   1.116
  122    H    CYS  19           H        CYS  19   2.617   0.515  -1.149
  123    HA   CYS  19           HA       CYS  19   0.053   0.207   0.245
  124    HB2  CYS  19           1HB      CYS  19   0.036   0.795  -2.165
  125    HB3  CYS  19           2HB      CYS  19   0.840  -0.744  -2.517
  126    H    GLY  20           H        GLY  20   0.108  -1.351   1.738
  127    HA2  GLY  20           2HA      GLY  20   1.901  -3.535   1.725
  128    HA3  GLY  20           3HA      GLY  20   0.479  -3.379   2.746
  129    H    LYS  21           H        LYS  21   1.737  -5.601   1.042
  130    HA   LYS  21           HA       LYS  21   0.253  -6.334  -1.121
  131    HB2  LYS  21           1HB      LYS  21   2.081  -7.701  -0.422
  132    HB3  LYS  21           2HB      LYS  21   1.301  -8.049   1.130
  133    HG2  LYS  21           1HG      LYS  21   1.151  -9.979  -0.308
  134    HG3  LYS  21           2HG      LYS  21  -0.462  -9.290  -0.051
  135    HD2  LYS  21           1HD      LYS  21  -0.575  -8.403  -2.213
  136    HD3  LYS  21           2HD      LYS  21   1.180  -8.511  -2.438
  137    HE2  LYS  21           1HE      LYS  21  -0.512 -10.977  -2.059
  138    HE3  LYS  21           2HE      LYS  21  -0.295 -10.226  -3.648
  139    HZ1  LYS  21           3HZ      LYS  21   1.711 -11.122  -3.835
  140    HZ2  LYS  21           1HZ      LYS  21   1.387 -12.030  -2.445
  141    HZ3  LYS  21           2HZ      LYS  21   2.199 -10.551  -2.320
  142    H    TYR  22           H        TYR  22  -0.744  -6.336   2.225
  143    HA   TYR  22           HA       TYR  22  -3.173  -7.810   1.712
  144    HB2  TYR  22           1HB      TYR  22  -2.202  -6.307   4.155
  145    HB3  TYR  22           2HB      TYR  22  -3.691  -7.253   4.094
  146    HD1  TYR  22           2HD      TYR  22  -3.129  -9.714   2.869
  147    HD2  TYR  22           1HD      TYR  22  -0.554  -7.408   5.350
  148    HE1  TYR  22           2HE      TYR  22  -1.894 -11.753   3.472
  149    HE2  TYR  22           1HE      TYR  22   0.688  -9.441   5.959
  150    HH   TYR  22           HH       TYR  22  -0.444 -12.510   5.448
  151    H    GLY  23           H        GLY  23  -2.896  -5.516   0.082
  152    HA2  GLY  23           2HA      GLY  23  -3.993  -3.593  -0.560
  153    HA3  GLY  23           3HA      GLY  23  -5.398  -4.413   0.105
  154    H    PHE  24           H        PHE  24  -2.537  -3.145   1.774
  155    HA   PHE  24           HA       PHE  24  -4.276  -1.192   3.123
  156    HB2  PHE  24           1HB      PHE  24  -3.705  -3.311   4.481
  157    HB3  PHE  24           2HB      PHE  24  -2.074  -2.644   4.573
  158    HD1  PHE  24           2HD      PHE  24  -5.613  -1.786   5.310
  159    HD2  PHE  24           1HD      PHE  24  -1.509  -1.115   6.221
  160    HE1  PHE  24           2HE      PHE  24  -6.270  -0.396   7.231
  161    HE2  PHE  24           1HE      PHE  24  -2.160   0.276   8.143
  162    HZ   PHE  24           HZ       PHE  24  -4.542   0.638   8.650
  163    H    CYS  25           H        CYS  25  -3.565   0.698   2.350
  164    HA   CYS  25           HA       CYS  25  -0.736   1.127   1.846
  165    HB2  CYS  25           1HB      CYS  25  -3.252   2.668   1.305
  166    HB3  CYS  25           2HB      CYS  25  -1.677   3.474   1.196
  167    H    GLY  26           H        GLY  26   0.614   1.989   3.274
  168    HA2  GLY  26           2HA      GLY  26  -0.375   3.943   5.210
  169    HA3  GLY  26           3HA      GLY  26   0.350   2.478   5.855
  170    H    SER  27           H        SER  27   1.909   3.885   6.869
  171    HA   SER  27           HA       SER  27   4.087   4.580   5.022
  172    HB2  SER  27           1HB      SER  27   2.773   6.618   5.793
  173    HB3  SER  27           2HB      SER  27   3.376   6.270   7.424
  174    HG   SER  27           HG       SER  27   4.799   7.695   6.504
  175    H    GLY  28           H        GLY  28   6.044   5.310   6.669
  176    HA2  GLY  28           2HA      GLY  28   7.560   4.609   8.258
  177    HA3  GLY  28           3HA      GLY  28   6.262   3.707   9.025
  178    H    ASP  29           H        ASP  29   8.911   2.777   8.779
  179    HA   ASP  29           HA       ASP  29   9.301   1.055   6.587
  180    HB2  ASP  29           1HB      ASP  29  10.401   1.042   9.403
  181    HB3  ASP  29           2HB      ASP  29  10.905  -0.127   8.174
  182    HD2  ASP  29           HD       ASP  29  12.682   2.299   6.396
  183    H    ALA  30           H        ALA  30   7.193   0.851   9.247
  184    HA   ALA  30           HA       ALA  30   7.034  -1.917   9.657
  185    HB1  ALA  30           1HB      ALA  30   5.691  -1.155  11.249
  186    HB2  ALA  30           2HB      ALA  30   5.567   0.414  10.453
  187    HB3  ALA  30           3HB      ALA  30   4.453  -0.884  10.022
  188    H    TYR  31           H        TYR  31   5.634   0.155   7.206
  189    HA   TYR  31           HA       TYR  31   4.407  -2.222   5.966
  190    HB2  TYR  31           1HB      TYR  31   3.529   0.673   5.784
  191    HB3  TYR  31           2HB      TYR  31   2.798  -0.666   4.896
  192    HD1  TYR  31           2HD      TYR  31   2.664  -2.779   6.933
  193    HD2  TYR  31           1HD      TYR  31   1.858   1.386   7.258
  194    HE1  TYR  31           2HE      TYR  31   1.138  -3.227   8.809
  195    HE2  TYR  31           1HE      TYR  31   0.331   0.950   9.136
  196    HH   TYR  31           HH       TYR  31  -0.714  -2.212   9.959
  197    H    CYS  32           H        CYS  32   6.659   0.322   5.655
  198    HA   CYS  32           HA       CYS  32   6.782   0.164   2.752
  199    HB2  CYS  32           1HB      CYS  32   8.122   1.843   4.845
  200    HB3  CYS  32           2HB      CYS  32   8.786   1.773   3.204
  201    H    GLY  33           H        GLY  33   8.375  -1.129   5.538
  202    HA2  GLY  33           2HA      GLY  33  10.878  -1.779   4.472
  203    HA3  GLY  33           3HA      GLY  33  10.073  -2.654   5.766
  204    H    ALA  34           H        ALA  34  11.681  -3.959   3.942
  205    HA   ALA  34           HA       ALA  34  10.074  -5.109   1.847
  206    HB1  ALA  34           1HB      ALA  34  12.593  -6.420   2.692
  207    HB2  ALA  34           2HB      ALA  34  11.992  -6.048   1.075
  208    HB3  ALA  34           3HB      ALA  34  12.707  -4.775   2.066
  209    H    GLY  35           H        GLY  35   8.501  -6.501   2.314
  210    HA2  GLY  35           2HA      GLY  35   8.721  -9.028   3.203
  211    HA3  GLY  35           3HA      GLY  35   8.615  -8.131   4.711
  212    H    SER  36           H        SER  36   6.848  -6.115   3.337
  213    HA   SER  36           HA       SER  36   4.420  -7.706   2.956
  214    HB2  SER  36           1HB      SER  36   4.692  -6.942   5.392
  215    HB3  SER  36           2HB      SER  36   4.411  -5.302   4.778
  216    HG   SER  36           HG       SER  36   2.588  -7.044   5.425
  217    H    CYS  37           H        CYS  37   6.374  -5.705   1.545
  218    HA   CYS  37           HA       CYS  37   4.483  -3.673   0.670
  219    HB2  CYS  37           1HB      CYS  37   6.942  -3.242   1.153
  220    HB3  CYS  37           2HB      CYS  37   7.288  -4.097  -0.359
  221    H    GLN  38           H        GLN  38   3.450  -3.649  -1.246
  222    HA   GLN  38           HA       GLN  38   4.086  -5.787  -3.171
  223    HB2  GLN  38           1HB      GLN  38   2.045  -6.383  -2.021
  224    HB3  GLN  38           2HB      GLN  38   1.361  -4.780  -2.340
  225    HG2  GLN  38           1HG      GLN  38   2.081  -5.813  -4.848
  226    HG3  GLN  38           2HG      GLN  38   1.304  -7.137  -3.969
  227   HE21  GLN  38          1HE2      GLN  38  -0.746  -6.450  -2.788
  228   HE22  GLN  38          2HE2      GLN  38  -1.836  -5.451  -3.680
  229    H    SER  39           H        SER  39   2.362  -2.686  -2.823
  230    HA   SER  39           HA       SER  39   3.401  -1.925  -5.471
  231    HB2  SER  39           1HB      SER  39   0.887  -2.528  -5.356
  232    HB3  SER  39           2HB      SER  39   0.714  -0.999  -4.475
  233    HG   SER  39           HG       SER  39   2.152  -0.943  -6.862
  234    H    GLN  40           H        GLN  40   3.665   0.366  -5.804
  235    HA   GLN  40           HA       GLN  40   4.470   2.408  -5.206
  236    HB2  GLN  40           1HB      GLN  40   2.433   1.938  -3.031
  237    HB3  GLN  40           2HB      GLN  40   3.366   3.439  -3.142
  238    HG2  GLN  40           1HG      GLN  40   1.242   3.801  -4.174
  239    HG3  GLN  40           2HG      GLN  40   2.485   3.768  -5.432
  240   HE21  GLN  40          1HE2      GLN  40   0.014   1.814  -3.856
  241   HE22  GLN  40          2HE2      GLN  40  -0.311   0.801  -5.216
  242    H    CYS  41           H        CYS  41   6.123   0.321  -4.546
  243    HA   CYS  41           HA       CYS  41   6.990   0.541  -1.809
  244    HB2  CYS  41           1HB      CYS  41   8.112  -0.865  -4.232
  245    HB3  CYS  41           2HB      CYS  41   8.907  -0.902  -2.649
  246    H    ARG  42           H        ARG  42   7.146   2.991  -2.194
  247    HA   ARG  42           HA       ARG  42   9.915   3.669  -2.281
  248    HB2  ARG  42           1HB      ARG  42   9.178   3.536  -4.738
  249    HB3  ARG  42           2HB      ARG  42   8.242   5.001  -4.400
  250    HG2  ARG  42           1HG      ARG  42  10.038   6.230  -4.802
  251    HG3  ARG  42           2HG      ARG  42  10.840   5.464  -3.420
  252    HD2  ARG  42           1HD      ARG  42  11.911   3.871  -4.741
  253    HD3  ARG  42           2HD      ARG  42  10.755   4.071  -6.066
  254    HE   ARG  42           HE       ARG  42  13.153   5.558  -5.650
  255   HH11  ARG  42          1HH1      ARG  42   9.925   5.746  -6.939
  256   HH12  ARG  42          2HH1      ARG  42  10.308   7.003  -8.069
  257   HH21  ARG  42          1HH2      ARG  42  13.671   7.211  -7.133
  258   HH22  ARG  42          2HH2      ARG  42  12.440   7.835  -8.180
  259    H    GLY  43           H        GLY  43   7.458   3.903  -0.610
  260    HA2  GLY  43           2HA      GLY  43   6.674   6.635  -0.518
  261    HA3  GLY  43           3HA      GLY  43   6.405   5.439   0.740
  262    H    CYS  44           H        CYS  44   6.873   7.742   1.778
  263    HA   CYS  44           HA       CYS  44   9.744   8.106   2.192
  264    HB2  CYS  44           1HB      CYS  44   7.512   9.774   3.347
  265    HB3  CYS  44           2HB      CYS  44   9.214  10.224   3.149
  Start of MODEL   19
    1    H1   ALA   1           H        ALA   1  -4.063   6.317   7.884
    2    HA   ALA   1           HA       ALA   1  -3.836   4.403   6.435
    3    HB1  ALA   1           1HB      ALA   1  -4.414   3.583   8.533
    4    HB2  ALA   1           2HB      ALA   1  -6.054   4.228   8.441
    5    HB3  ALA   1           3HB      ALA   1  -5.599   2.833   7.463
    6    H    GLN   2           H        GLN   2  -4.371   3.672   4.483
    7    HA   GLN   2           HA       GLN   2  -7.145   3.926   3.567
    8    HB2  GLN   2           1HB      GLN   2  -6.220   4.606   1.298
    9    HB3  GLN   2           2HB      GLN   2  -6.169   5.833   2.574
   10    HG2  GLN   2           1HG      GLN   2  -3.749   4.205   2.458
   11    HG3  GLN   2           2HG      GLN   2  -4.076   5.097   0.965
   12   HE21  GLN   2          1HE2      GLN   2  -4.378   7.405   1.119
   13   HE22  GLN   2          2HE2      GLN   2  -3.573   8.288   2.366
   14    H    ARG   3           H        ARG   3  -7.801   2.392   2.050
   15    HA   ARG   3           HA       ARG   3  -6.080   0.030   1.929
   16    HB2  ARG   3           1HB      ARG   3  -9.014   0.338   1.243
   17    HB3  ARG   3           2HB      ARG   3  -8.112  -1.184   1.300
   18    HG2  ARG   3           1HG      ARG   3  -7.609  -0.428   3.773
   19    HG3  ARG   3           2HG      ARG   3  -9.085   0.523   3.530
   20    HD2  ARG   3           1HD      ARG   3 -10.344  -1.284   3.865
   21    HD3  ARG   3           2HD      ARG   3  -9.533  -2.101   2.520
   22    HE   ARG   3           HE       ARG   3  -7.773  -2.408   4.539
   23   HH11  ARG   3          1HH1      ARG   3 -11.192  -3.002   4.270
   24   HH12  ARG   3          2HH1      ARG   3 -11.187  -4.308   5.408
   25   HH21  ARG   3          1HH2      ARG   3  -7.753  -4.127   6.037
   26   HH22  ARG   3          2HH2      ARG   3  -9.231  -4.948   6.413
   27    H    CYS   4           H        CYS   4  -5.499  -0.967   0.023
   28    HA   CYS   4           HA       CYS   4  -6.310   0.280  -2.497
   29    HB2  CYS   4           1HB      CYS   4  -3.873   0.140  -3.236
   30    HB3  CYS   4           2HB      CYS   4  -4.302   1.458  -2.133
   31    H    GLY   5           H        GLY   5  -4.861  -1.061  -4.293
   32    HA2  GLY   5           2HA      GLY   5  -4.609  -3.077  -5.365
   33    HA3  GLY   5           3HA      GLY   5  -4.461  -3.813  -3.776
   34    H    ASP   6           H        ASP   6  -5.665  -5.624  -4.389
   35    HA   ASP   6           HA       ASP   6  -8.172  -5.585  -5.621
   36    HB2  ASP   6           1HB      ASP   6  -6.463  -7.542  -4.809
   37    HB3  ASP   6           2HB      ASP   6  -7.749  -7.700  -3.604
   38    HD2  ASP   6           HD       ASP   6  -9.868  -8.082  -6.686
   39    H    GLN   7           H        GLN   7  -7.249  -4.739  -2.430
   40    HA   GLN   7           HA       GLN   7  -9.855  -5.137  -1.259
   41    HB2  GLN   7           1HB      GLN   7  -7.290  -3.879  -0.293
   42    HB3  GLN   7           2HB      GLN   7  -8.786  -3.800   0.653
   43    HG2  GLN   7           1HG      GLN   7  -8.654  -6.461   0.087
   44    HG3  GLN   7           2HG      GLN   7  -6.943  -6.033   0.228
   45   HE21  GLN   7          1HE2      GLN   7  -6.633  -4.397   2.171
   46   HE22  GLN   7          2HE2      GLN   7  -7.304  -4.955   3.663
   47    H    ALA   8           H        ALA   8  -8.756  -2.984  -3.440
   48    HA   ALA   8           HA       ALA   8 -10.744  -0.992  -2.628
   49    HB1  ALA   8           1HB      ALA   8  -9.293   0.860  -3.053
   50    HB2  ALA   8           2HB      ALA   8  -8.489  -0.213  -1.906
   51    HB3  ALA   8           3HB      ALA   8  -8.003  -0.211  -3.601
   52    H    ARG   9           H        ARG   9 -10.816  -3.090  -4.605
   53    HA   ARG   9           HA       ARG   9 -11.490  -3.429  -6.750
   54    HB2  ARG   9           1HB      ARG   9 -12.934  -1.409  -6.057
   55    HB3  ARG   9           2HB      ARG   9 -11.817  -0.453  -7.040
   56    HG2  ARG   9           1HG      ARG   9 -12.730  -1.126  -8.964
   57    HG3  ARG   9           2HG      ARG   9 -12.832  -2.810  -8.422
   58    HD2  ARG   9           1HD      ARG   9 -14.858  -2.334  -7.169
   59    HD3  ARG   9           2HD      ARG   9 -14.726  -0.618  -7.582
   60    HE   ARG   9           HE       ARG   9 -14.825  -2.240  -9.917
   61   HH11  ARG   9          1HH1      ARG   9 -16.792  -0.874  -7.391
   62   HH12  ARG   9          2HH1      ARG   9 -18.235  -0.848  -8.349
   63   HH21  ARG   9          1HH2      ARG   9 -16.718  -2.211 -11.189
   64   HH22  ARG   9          2HH2      ARG   9 -18.192  -1.608 -10.509
   65    H    GLY  10           H        GLY  10  -8.671  -2.864  -6.128
   66    HA2  GLY  10           2HA      GLY  10  -6.759  -2.927  -7.439
   67    HA3  GLY  10           3HA      GLY  10  -7.753  -2.592  -8.849
   68    H    ALA  11           H        ALA  11  -8.065  -0.504  -6.125
   69    HA   ALA  11           HA       ALA  11  -7.150   1.739  -7.673
   70    HB1  ALA  11           1HB      ALA  11  -8.921   2.375  -6.373
   71    HB2  ALA  11           2HB      ALA  11  -8.424   1.371  -5.009
   72    HB3  ALA  11           3HB      ALA  11  -7.583   2.884  -5.343
   73    H    LYS  12           H        LYS  12  -5.200   2.656  -7.660
   74    HA   LYS  12           HA       LYS  12  -3.149   1.545  -5.916
   75    HB2  LYS  12           1HB      LYS  12  -2.909   3.527  -8.192
   76    HB3  LYS  12           2HB      LYS  12  -1.566   2.729  -7.358
   77    HG2  LYS  12           1HG      LYS  12  -2.137   0.605  -8.243
   78    HG3  LYS  12           2HG      LYS  12  -3.693   1.209  -8.839
   79    HD2  LYS  12           1HD      LYS  12  -2.115   2.899 -10.158
   80    HD3  LYS  12           2HD      LYS  12  -0.962   1.568  -9.956
   81    HE2  LYS  12           1HE      LYS  12  -2.160   0.125 -11.285
   82    HE3  LYS  12           2HE      LYS  12  -3.701   0.913 -10.914
   83    HZ1  LYS  12           3HZ      LYS  12  -2.084   2.757 -12.261
   84    HZ2  LYS  12           1HZ      LYS  12  -3.530   2.054 -12.785
   85    HZ3  LYS  12           2HZ      LYS  12  -2.053   1.310 -13.137
   86    H    CYS  13           H        CYS  13  -1.547   3.037  -4.929
   87    HA   CYS  13           HA       CYS  13  -2.933   5.352  -3.762
   88    HB2  CYS  13           1HB      CYS  13  -0.792   3.504  -2.762
   89    HB3  CYS  13           2HB      CYS  13  -0.980   5.113  -2.047
   90    HA   PRO  14           HA       PRO  14  -0.146   8.243  -5.526
   91    HB2  PRO  14           1HB      PRO  14   0.154  10.060  -3.498
   92    HB3  PRO  14           2HB      PRO  14  -1.326   9.889  -4.441
   93    HG2  PRO  14           1HG      PRO  14  -0.634   8.743  -1.756
   94    HG3  PRO  14           2HG      PRO  14  -2.153   9.554  -2.292
   95    HD2  PRO  14           1HD      PRO  14  -1.927   6.856  -2.085
   96    HD3  PRO  14           2HD      PRO  14  -2.928   7.641  -3.319
   97    H    ASN  15           H        ASN  15   1.901   9.636  -4.783
   98    HA   ASN  15           HA       ASN  15   3.932   7.697  -4.172
   99    HB2  ASN  15           1HB      ASN  15   4.012  10.658  -4.786
  100    HB3  ASN  15           2HB      ASN  15   5.462   9.717  -4.416
  101   HD21  ASN  15          1HD2      ASN  15   6.295   8.329  -5.910
  102   HD22  ASN  15          2HD2      ASN  15   5.715   8.219  -7.534
  103    H    CYS  16           H        CYS  16   5.746   8.409  -2.621
  104    HA   CYS  16           HA       CYS  16   6.455   8.817  -0.498
  105    HB2  CYS  16           1HB      CYS  16   5.420  11.087  -1.068
  106    HB3  CYS  16           2HB      CYS  16   4.037  10.567  -0.091
  107    H    LEU  17           H        LEU  17   4.052   6.957  -1.268
  108    HA   LEU  17           HA       LEU  17   3.502   6.173   1.508
  109    HB2  LEU  17           1HB      LEU  17   1.589   7.435   0.324
  110    HB3  LEU  17           2HB      LEU  17   1.408   5.952  -0.628
  111    HG   LEU  17           HG       LEU  17   1.067   4.720   1.540
  112   HD11  LEU  17          1HD1      LEU  17   0.339   6.125   3.460
  113   HD12  LEU  17          2HD1      LEU  17   0.954   7.537   2.602
  114   HD13  LEU  17          3HD1      LEU  17   2.058   6.251   3.089
  115   HD21  LEU  17          3HD2      LEU  17  -0.788   5.330   0.076
  116   HD22  LEU  17          1HD2      LEU  17  -0.900   6.905   0.864
  117   HD23  LEU  17          2HD2      LEU  17  -1.256   5.437   1.774
  118    H    CYS  18           H        CYS  18   2.824   3.912   1.725
  119    HA   CYS  18           HA       CYS  18   3.865   2.230  -0.460
  120    HB2  CYS  18           1HB      CYS  18   4.076   1.731   2.515
  121    HB3  CYS  18           2HB      CYS  18   4.679   0.657   1.243
  122    H    CYS  19           H        CYS  19   2.638   0.550  -1.109
  123    HA   CYS  19           HA       CYS  19   0.043   0.210   0.220
  124    HB2  CYS  19           1HB      CYS  19   0.071   0.846  -2.180
  125    HB3  CYS  19           2HB      CYS  19   0.884  -0.686  -2.544
  126    H    GLY  20           H        GLY  20   0.074  -1.380   1.678
  127    HA2  GLY  20           2HA      GLY  20   1.888  -3.550   1.652
  128    HA3  GLY  20           3HA      GLY  20   0.451  -3.424   2.655
  129    H    LYS  21           H        LYS  21   1.753  -5.599   0.921
  130    HA   LYS  21           HA       LYS  21   0.300  -6.299  -1.275
  131    HB2  LYS  21           1HB      LYS  21   2.218  -7.567  -0.258
  132    HB3  LYS  21           2HB      LYS  21   1.065  -8.254   0.897
  133    HG2  LYS  21           1HG      LYS  21  -0.239  -8.949  -1.274
  134    HG3  LYS  21           2HG      LYS  21   1.360  -8.770  -2.020
  135    HD2  LYS  21           1HD      LYS  21   1.438 -10.251   0.501
  136    HD3  LYS  21           2HD      LYS  21   0.424 -11.018  -0.735
  137    HE2  LYS  21           1HE      LYS  21   2.416 -10.618  -2.330
  138    HE3  LYS  21           2HE      LYS  21   3.349 -10.355  -0.849
  139    HZ1  LYS  21           3HZ      LYS  21   2.141 -12.820  -1.865
  140    HZ2  LYS  21           1HZ      LYS  21   2.236 -12.621  -0.189
  141    HZ3  LYS  21           2HZ      LYS  21   3.643 -12.580  -1.126
  142    H    TYR  22           H        TYR  22  -0.735  -6.375   2.056
  143    HA   TYR  22           HA       TYR  22  -3.142  -7.867   1.486
  144    HB2  TYR  22           1HB      TYR  22  -2.077  -6.485   3.951
  145    HB3  TYR  22           2HB      TYR  22  -3.685  -7.213   3.900
  146    HD1  TYR  22           1HD      TYR  22  -3.910  -9.683   3.451
  147    HD2  TYR  22           2HD      TYR  22  -0.165  -7.848   4.294
  148    HE1  TYR  22           1HE      TYR  22  -2.964 -11.883   4.011
  149    HE2  TYR  22           2HE      TYR  22   0.792 -10.043   4.856
  150    HH   TYR  22           HH       TYR  22   0.042 -12.637   4.051
  151    H    GLY  23           H        GLY  23  -2.870  -5.534  -0.091
  152    HA2  GLY  23           2HA      GLY  23  -3.983  -3.614  -0.707
  153    HA3  GLY  23           3HA      GLY  23  -5.385  -4.458  -0.068
  154    H    PHE  24           H        PHE  24  -2.552  -3.209   1.658
  155    HA   PHE  24           HA       PHE  24  -4.318  -1.295   3.027
  156    HB2  PHE  24           1HB      PHE  24  -3.740  -3.425   4.354
  157    HB3  PHE  24           2HB      PHE  24  -2.107  -2.763   4.452
  158    HD1  PHE  24           1HD      PHE  24  -1.854  -0.381   5.400
  159    HD2  PHE  24           2HD      PHE  24  -5.320  -2.791   5.939
  160    HE1  PHE  24           1HE      PHE  24  -2.493   0.981   7.347
  161    HE2  PHE  24           2HE      PHE  24  -5.966  -1.432   7.886
  162    HZ   PHE  24           HZ       PHE  24  -4.553   0.457   8.591
  163    H    CYS  25           H        CYS  25  -3.625   0.610   2.269
  164    HA   CYS  25           HA       CYS  25  -0.797   1.085   1.809
  165    HB2  CYS  25           1HB      CYS  25  -3.326   2.593   1.246
  166    HB3  CYS  25           2HB      CYS  25  -1.763   3.424   1.168
  167    H    GLY  26           H        GLY  26   0.523   1.955   3.263
  168    HA2  GLY  26           2HA      GLY  26  -0.524   3.875   5.203
  169    HA3  GLY  26           3HA      GLY  26   0.214   2.414   5.844
  170    H    SER  27           H        SER  27   1.740   3.830   6.893
  171    HA   SER  27           HA       SER  27   3.936   4.569   5.086
  172    HB2  SER  27           1HB      SER  27   2.580   6.586   5.838
  173    HB3  SER  27           2HB      SER  27   3.157   6.242   7.479
  174    HG   SER  27           HG       SER  27   4.558   7.200   5.266
  175    H    GLY  28           H        GLY  28   5.852   5.324   6.769
  176    HA2  GLY  28           2HA      GLY  28   7.350   4.641   8.382
  177    HA3  GLY  28           3HA      GLY  28   6.052   3.718   9.124
  178    H    ASP  29           H        ASP  29   8.717   2.826   8.926
  179    HA   ASP  29           HA       ASP  29   9.172   1.116   6.736
  180    HB2  ASP  29           1HB      ASP  29  10.196   0.794   9.569
  181    HB3  ASP  29           2HB      ASP  29  10.901   0.095   8.105
  182    HD2  ASP  29           HD       ASP  29  11.729   3.834   8.999
  183    H    ALA  30           H        ALA  30   7.027   0.871   9.366
  184    HA   ALA  30           HA       ALA  30   6.899  -1.901   9.758
  185    HB1  ALA  30           1HB      ALA  30   4.332  -1.087  10.199
  186    HB2  ALA  30           2HB      ALA  30   5.643  -0.991  11.374
  187    HB3  ALA  30           3HB      ALA  30   5.231   0.417  10.395
  188    H    TYR  31           H        TYR  31   5.510   0.164   7.296
  189    HA   TYR  31           HA       TYR  31   4.332  -2.222   6.027
  190    HB2  TYR  31           1HB      TYR  31   3.423   0.663   5.841
  191    HB3  TYR  31           2HB      TYR  31   2.719  -0.681   4.939
  192    HD1  TYR  31           1HD      TYR  31   2.406  -2.815   6.818
  193    HD2  TYR  31           2HD      TYR  31   1.891   1.363   7.441
  194    HE1  TYR  31           1HE      TYR  31   0.857  -3.288   8.669
  195    HE2  TYR  31           2HE      TYR  31   0.343   0.901   9.295
  196    HH   TYR  31           HH       TYR  31  -0.105  -2.301  10.562
  197    H    CYS  32           H        CYS  32   6.563   0.343   5.763
  198    HA   CYS  32           HA       CYS  32   6.729   0.207   2.861
  199    HB2  CYS  32           1HB      CYS  32   8.028   1.878   4.987
  200    HB3  CYS  32           2HB      CYS  32   8.714   1.826   3.354
  201    H    GLY  33           H        GLY  33   8.288  -1.100   5.660
  202    HA2  GLY  33           2HA      GLY  33  10.812  -1.722   4.629
  203    HA3  GLY  33           3HA      GLY  33   9.992  -2.617   5.900
  204    H    ALA  34           H        ALA  34  11.641  -3.888   4.087
  205    HA   ALA  34           HA       ALA  34  10.076  -5.029   1.956
  206    HB1  ALA  34           1HB      ALA  34  12.836  -5.559   3.015
  207    HB2  ALA  34           2HB      ALA  34  12.106  -6.556   1.756
  208    HB3  ALA  34           3HB      ALA  34  12.365  -4.834   1.477
  209    H    GLY  35           H        GLY  35   8.497  -6.427   2.401
  210    HA2  GLY  35           2HA      GLY  35   8.741  -8.966   3.272
  211    HA3  GLY  35           3HA      GLY  35   8.580  -8.076   4.779
  212    H    SER  36           H        SER  36   6.819  -6.078   3.386
  213    HA   SER  36           HA       SER  36   4.428  -7.702   2.916
  214    HB2  SER  36           1HB      SER  36   4.532  -7.052   5.350
  215    HB3  SER  36           2HB      SER  36   4.433  -5.360   4.830
  216    HG   SER  36           HG       SER  36   2.378  -6.322   5.371
  217    H    CYS  37           H        CYS  37   6.388  -5.649   1.589
  218    HA   CYS  37           HA       CYS  37   4.489  -3.635   0.690
  219    HB2  CYS  37           1HB      CYS  37   6.914  -3.153   1.249
  220    HB3  CYS  37           2HB      CYS  37   7.335  -4.006  -0.247
  221    H    GLN  38           H        GLN  38   3.500  -3.608  -1.246
  222    HA   GLN  38           HA       GLN  38   4.223  -5.707  -3.183
  223    HB2  GLN  38           1HB      GLN  38   2.183  -6.433  -2.232
  224    HB3  GLN  38           2HB      GLN  38   1.499  -4.801  -2.274
  225    HG2  GLN  38           1HG      GLN  38   1.428  -4.875  -4.717
  226    HG3  GLN  38           2HG      GLN  38   2.110  -6.507  -4.677
  227   HE21  GLN  38          1HE2      GLN  38  -0.606  -4.637  -3.383
  228   HE22  GLN  38          2HE2      GLN  38  -1.763  -5.914  -3.492
  229    H    SER  39           H        SER  39   2.455  -2.631  -2.847
  230    HA   SER  39           HA       SER  39   3.554  -1.830  -5.460
  231    HB2  SER  39           1HB      SER  39   1.042  -2.445  -5.405
  232    HB3  SER  39           2HB      SER  39   0.841  -0.928  -4.511
  233    HG   SER  39           HG       SER  39   0.628  -0.818  -6.879
  234    H    GLN  40           H        GLN  40   3.831   0.460  -5.757
  235    HA   GLN  40           HA       GLN  40   4.615   2.496  -5.116
  236    HB2  GLN  40           1HB      GLN  40   2.545   2.020  -2.969
  237    HB3  GLN  40           2HB      GLN  40   3.446   3.537  -3.118
  238    HG2  GLN  40           1HG      GLN  40   1.447   3.975  -4.218
  239    HG3  GLN  40           2HG      GLN  40   2.584   3.604  -5.522
  240   HE21  GLN  40          1HE2      GLN  40   1.514   2.597  -7.063
  241   HE22  GLN  40          2HE2      GLN  40   0.416   1.281  -6.845
  242    H    CYS  41           H        CYS  41   6.280   0.449  -4.452
  243    HA   CYS  41           HA       CYS  41   7.056   0.623  -1.680
  244    HB2  CYS  41           1HB      CYS  41   8.252  -0.748  -4.087
  245    HB3  CYS  41           2HB      CYS  41   9.007  -0.796  -2.484
  246    H    ARG  42           H        ARG  42   7.198   3.085  -2.054
  247    HA   ARG  42           HA       ARG  42   9.965   3.783  -2.031
  248    HB2  ARG  42           1HB      ARG  42   9.350   3.653  -4.511
  249    HB3  ARG  42           2HB      ARG  42   8.356   5.089  -4.218
  250    HG2  ARG  42           1HG      ARG  42  10.139   6.475  -4.007
  251    HG3  ARG  42           2HG      ARG  42  11.166   5.210  -3.311
  252    HD2  ARG  42           1HD      ARG  42  12.091   5.642  -5.436
  253    HD3  ARG  42           2HD      ARG  42  11.167   4.143  -5.617
  254    HE   ARG  42           HE       ARG  42   9.412   6.121  -6.315
  255   HH11  ARG  42          1HH1      ARG  42  12.577   5.130  -7.374
  256   HH12  ARG  42          2HH1      ARG  42  12.343   5.666  -9.004
  257   HH21  ARG  42          1HH2      ARG  42   9.092   6.832  -8.458
  258   HH22  ARG  42          2HH2      ARG  42  10.360   6.636  -9.620
  259    H    GLY  43           H        GLY  43   7.444   3.994  -0.456
  260    HA2  GLY  43           2HA      GLY  43   6.617   6.710  -0.388
  261    HA3  GLY  43           3HA      GLY  43   6.343   5.515   0.871
  262    H    CYS  44           H        CYS  44   6.742   7.843   1.894
  263    HA   CYS  44           HA       CYS  44   9.594   8.257   2.382
  264    HB2  CYS  44           1HB      CYS  44   7.306   9.899   3.460
  265    HB3  CYS  44           2HB      CYS  44   9.005  10.376   3.303
  Start of MODEL   20
    1    H1   ALA   1           H        ALA   1  -3.584   6.158   7.364
    2    HA   ALA   1           HA       ALA   1  -3.838   4.018   6.585
    3    HB1  ALA   1           1HB      ALA   1  -6.367   3.511   7.905
    4    HB2  ALA   1           2HB      ALA   1  -4.769   2.840   8.229
    5    HB3  ALA   1           3HB      ALA   1  -5.240   4.381   8.945
    6    H    GLN   2           H        GLN   2  -4.336   3.493   4.568
    7    HA   GLN   2           HA       GLN   2  -7.121   3.732   3.687
    8    HB2  GLN   2           1HB      GLN   2  -6.261   4.486   1.431
    9    HB3  GLN   2           2HB      GLN   2  -6.151   5.678   2.736
   10    HG2  GLN   2           1HG      GLN   2  -3.748   4.059   2.541
   11    HG3  GLN   2           2HG      GLN   2  -4.119   4.906   1.033
   12   HE21  GLN   2          1HE2      GLN   2  -4.764   7.260   1.370
   13   HE22  GLN   2          2HE2      GLN   2  -3.787   8.163   2.472
   14    H    ARG   3           H        ARG   3  -7.774   2.219   2.147
   15    HA   ARG   3           HA       ARG   3  -6.021  -0.117   1.961
   16    HB2  ARG   3           1HB      ARG   3  -8.985   0.303   1.663
   17    HB3  ARG   3           2HB      ARG   3  -8.210  -1.168   1.060
   18    HG2  ARG   3           1HG      ARG   3  -8.409  -2.052   3.080
   19    HG3  ARG   3           2HG      ARG   3  -7.260  -0.839   3.670
   20    HD2  ARG   3           1HD      ARG   3 -10.266  -0.504   3.513
   21    HD3  ARG   3           2HD      ARG   3  -9.328  -0.828   4.978
   22    HE   ARG   3           HE       ARG   3  -8.283   1.475   3.812
   23   HH11  ARG   3          1HH1      ARG   3 -11.253   0.399   5.276
   24   HH12  ARG   3          2HH1      ARG   3 -11.688   1.972   5.857
   25   HH21  ARG   3          1HH2      ARG   3  -8.845   3.551   4.573
   26   HH22  ARG   3          2HH2      ARG   3 -10.319   3.764   5.456
   27    H    CYS   4           H        CYS   4  -5.483  -1.091   0.023
   28    HA   CYS   4           HA       CYS   4  -6.325   0.210  -2.458
   29    HB2  CYS   4           1HB      CYS   4  -3.895   0.075  -3.232
   30    HB3  CYS   4           2HB      CYS   4  -4.313   1.379  -2.106
   31    H    GLY   5           H        GLY   5  -4.917  -1.093  -4.306
   32    HA2  GLY   5           2HA      GLY   5  -4.705  -3.083  -5.433
   33    HA3  GLY   5           3HA      GLY   5  -4.484  -3.847  -3.866
   34    H    ASP   6           H        ASP   6  -5.700  -5.657  -4.382
   35    HA   ASP   6           HA       ASP   6  -8.236  -5.660  -5.555
   36    HB2  ASP   6           1HB      ASP   6  -6.832  -7.674  -5.295
   37    HB3  ASP   6           2HB      ASP   6  -7.119  -7.631  -3.550
   38    HD2  ASP   6           HD       ASP   6 -10.084  -8.846  -5.887
   39    H    GLN   7           H        GLN   7  -7.243  -4.761  -2.397
   40    HA   GLN   7           HA       GLN   7  -9.822  -5.150  -1.164
   41    HB2  GLN   7           1HB      GLN   7  -7.207  -3.954  -0.291
   42    HB3  GLN   7           2HB      GLN   7  -8.672  -3.712   0.674
   43    HG2  GLN   7           1HG      GLN   7  -7.320  -5.586   1.494
   44    HG3  GLN   7           2HG      GLN   7  -8.933  -6.088   0.967
   45   HE21  GLN   7          1HE2      GLN   7  -8.652  -8.118   0.312
   46   HE22  GLN   7          2HE2      GLN   7  -7.516  -8.631  -0.884
   47    H    ALA   8           H        ALA   8  -8.773  -3.022  -3.395
   48    HA   ALA   8           HA       ALA   8 -10.753  -1.026  -2.572
   49    HB1  ALA   8           1HB      ALA   8  -7.995  -0.294  -3.549
   50    HB2  ALA   8           2HB      ALA   8  -9.291   0.822  -3.119
   51    HB3  ALA   8           3HB      ALA   8  -8.545  -0.183  -1.877
   52    H    ARG   9           H        ARG   9 -10.855  -3.147  -4.520
   53    HA   ARG   9           HA       ARG   9 -11.530  -3.523  -6.660
   54    HB2  ARG   9           1HB      ARG   9 -13.040  -1.570  -5.944
   55    HB3  ARG   9           2HB      ARG   9 -11.976  -0.560  -6.935
   56    HG2  ARG   9           1HG      ARG   9 -13.022  -1.156  -8.796
   57    HG3  ARG   9           2HG      ARG   9 -12.788  -2.872  -8.424
   58    HD2  ARG   9           1HD      ARG   9 -14.760  -2.414  -6.708
   59    HD3  ARG   9           2HD      ARG   9 -15.109  -1.104  -7.845
   60    HE   ARG   9           HE       ARG   9 -15.914  -2.660  -9.301
   61   HH11  ARG   9          1HH1      ARG   9 -13.794  -4.249  -7.043
   62   HH12  ARG   9          2HH1      ARG   9 -14.128  -5.838  -7.647
   63   HH21  ARG   9          1HH2      ARG   9 -16.362  -4.748 -10.105
   64   HH22  ARG   9          2HH2      ARG   9 -15.588  -6.121  -9.389
   65    H    GLY  10           H        GLY  10  -8.726  -2.904  -6.118
   66    HA2  GLY  10           2HA      GLY  10  -6.848  -2.905  -7.480
   67    HA3  GLY  10           3HA      GLY  10  -7.885  -2.557  -8.856
   68    H    ALA  11           H        ALA  11  -8.102  -0.555  -6.042
   69    HA   ALA  11           HA       ALA  11  -7.325   1.756  -7.563
   70    HB1  ALA  11           1HB      ALA  11  -9.162   1.772  -5.890
   71    HB2  ALA  11           2HB      ALA  11  -7.952   1.590  -4.620
   72    HB3  ALA  11           3HB      ALA  11  -7.956   3.033  -5.634
   73    H    LYS  12           H        LYS  12  -5.477   2.926  -7.440
   74    HA   LYS  12           HA       LYS  12  -3.263   1.721  -5.950
   75    HB2  LYS  12           1HB      LYS  12  -3.358   3.682  -8.248
   76    HB3  LYS  12           2HB      LYS  12  -1.863   3.261  -7.397
   77    HG2  LYS  12           1HG      LYS  12  -1.797   1.128  -8.249
   78    HG3  LYS  12           2HG      LYS  12  -3.549   1.075  -8.517
   79    HD2  LYS  12           1HD      LYS  12  -3.406   2.016 -10.565
   80    HD3  LYS  12           2HD      LYS  12  -2.120   3.129 -10.063
   81    HE2  LYS  12           1HE      LYS  12  -0.717   0.859  -9.971
   82    HE3  LYS  12           2HE      LYS  12  -1.929   0.380 -11.167
   83    HZ1  LYS  12           3HZ      LYS  12   0.331   1.709 -11.740
   84    HZ2  LYS  12           1HZ      LYS  12  -0.775   2.985 -11.629
   85    HZ3  LYS  12           2HZ      LYS  12  -1.054   1.717 -12.713
   86    H    CYS  13           H        CYS  13  -1.690   3.165  -4.909
   87    HA   CYS  13           HA       CYS  13  -3.066   5.408  -3.596
   88    HB2  CYS  13           1HB      CYS  13  -0.888   3.530  -2.740
   89    HB3  CYS  13           2HB      CYS  13  -1.073   5.100  -1.941
   90    HA   PRO  14           HA       PRO  14  -0.340   8.406  -5.277
   91    HB2  PRO  14           1HB      PRO  14  -0.009  10.124  -3.169
   92    HB3  PRO  14           2HB      PRO  14  -1.509   9.986  -4.086
   93    HG2  PRO  14           1HG      PRO  14  -0.749   8.715  -1.478
   94    HG3  PRO  14           2HG      PRO  14  -2.285   9.538  -1.939
   95    HD2  PRO  14           1HD      PRO  14  -2.033   6.836  -1.870
   96    HD3  PRO  14           2HD      PRO  14  -3.068   7.671  -3.042
   97    H    ASN  15           H        ASN  15   1.712   9.778  -4.511
   98    HA   ASN  15           HA       ASN  15   3.768   7.827  -4.033
   99    HB2  ASN  15           1HB      ASN  15   4.145  10.822  -4.192
  100    HB3  ASN  15           2HB      ASN  15   5.318   9.554  -4.567
  101   HD21  ASN  15          1HD2      ASN  15   2.647  11.394  -5.718
  102   HD22  ASN  15          2HD2      ASN  15   2.674  10.819  -7.346
  103    H    CYS  16           H        CYS  16   5.612   8.486  -2.495
  104    HA   CYS  16           HA       CYS  16   6.369   8.810  -0.373
  105    HB2  CYS  16           1HB      CYS  16   5.313  11.096  -0.827
  106    HB3  CYS  16           2HB      CYS  16   3.952  10.530   0.156
  107    H    LEU  17           H        LEU  17   3.958   6.970  -1.165
  108    HA   LEU  17           HA       LEU  17   3.468   6.075   1.590
  109    HB2  LEU  17           1HB      LEU  17   1.526   7.365   0.489
  110    HB3  LEU  17           2HB      LEU  17   1.337   5.917  -0.514
  111    HG   LEU  17           HG       LEU  17   1.084   4.616   1.651
  112   HD11  LEU  17          1HD1      LEU  17   0.523   7.329   2.821
  113   HD12  LEU  17          2HD1      LEU  17   2.048   6.474   3.050
  114   HD13  LEU  17          3HD1      LEU  17   0.545   5.770   3.646
  115   HD21  LEU  17          3HD2      LEU  17  -0.799   5.128   0.197
  116   HD22  LEU  17          1HD2      LEU  17  -0.975   6.710   0.956
  117   HD23  LEU  17          2HD2      LEU  17  -1.274   5.245   1.892
  118    H    CYS  18           H        CYS  18   2.846   3.805   1.749
  119    HA   CYS  18           HA       CYS  18   3.838   2.213  -0.524
  120    HB2  CYS  18           1HB      CYS  18   4.122   1.589   2.420
  121    HB3  CYS  18           2HB      CYS  18   4.733   0.598   1.084
  122    H    CYS  19           H        CYS  19   2.615   0.539  -1.199
  123    HA   CYS  19           HA       CYS  19   0.051   0.136   0.168
  124    HB2  CYS  19           1HB      CYS  19   0.031   0.813  -2.218
  125    HB3  CYS  19           2HB      CYS  19   0.865  -0.697  -2.623
  126    H    GLY  20           H        GLY  20   0.127  -1.475   1.603
  127    HA2  GLY  20           2HA      GLY  20   1.961  -3.624   1.517
  128    HA3  GLY  20           3HA      GLY  20   0.534  -3.532   2.537
  129    H    LYS  21           H        LYS  21   1.839  -5.665   0.757
  130    HA   LYS  21           HA       LYS  21   0.376  -6.346  -1.438
  131    HB2  LYS  21           1HB      LYS  21   2.305  -7.623  -0.497
  132    HB3  LYS  21           2HB      LYS  21   1.207  -8.298   0.716
  133    HG2  LYS  21           1HG      LYS  21  -0.068  -8.791  -1.705
  134    HG3  LYS  21           2HG      LYS  21   1.648  -9.100  -2.024
  135    HD2  LYS  21           1HD      LYS  21   0.884 -11.168  -1.273
  136    HD3  LYS  21           2HD      LYS  21   1.583 -10.443   0.186
  137    HE2  LYS  21           1HE      LYS  21  -0.503  -9.977   1.123
  138    HE3  LYS  21           2HE      LYS  21  -1.321 -10.078  -0.443
  139    HZ1  LYS  21           3HZ      LYS  21  -0.850 -12.484  -0.445
  140    HZ2  LYS  21           1HZ      LYS  21  -1.838 -12.012   0.844
  141    HZ3  LYS  21           2HZ      LYS  21  -0.202 -12.346   1.111
  142    H    TYR  22           H        TYR  22  -0.631  -6.494   1.902
  143    HA   TYR  22           HA       TYR  22  -3.035  -7.988   1.320
  144    HB2  TYR  22           1HB      TYR  22  -1.981  -6.638   3.809
  145    HB3  TYR  22           2HB      TYR  22  -3.565  -7.411   3.747
  146    HD1  TYR  22           2HD      TYR  22  -3.392  -9.885   2.551
  147    HD2  TYR  22           1HD      TYR  22  -0.351  -7.942   4.805
  148    HE1  TYR  22           2HE      TYR  22  -2.381 -12.069   3.059
  149    HE2  TYR  22           1HE      TYR  22   0.669 -10.120   5.318
  150    HH   TYR  22           HH       TYR  22   0.604 -12.312   4.969
  151    H    GLY  23           H        GLY  23  -2.796  -5.626  -0.214
  152    HA2  GLY  23           2HA      GLY  23  -3.922  -3.697  -0.778
  153    HA3  GLY  23           3HA      GLY  23  -5.314  -4.565  -0.149
  154    H    PHE  24           H        PHE  24  -2.474  -3.315   1.570
  155    HA   PHE  24           HA       PHE  24  -4.248  -1.455   3.002
  156    HB2  PHE  24           1HB      PHE  24  -3.619  -3.612   4.271
  157    HB3  PHE  24           2HB      PHE  24  -2.003  -2.913   4.379
  158    HD1  PHE  24           1HD      PHE  24  -1.624  -0.810   5.614
  159    HD2  PHE  24           2HD      PHE  24  -5.390  -2.794   5.642
  160    HE1  PHE  24           1HE      PHE  24  -2.291   0.490   7.595
  161    HE2  PHE  24           2HE      PHE  24  -6.063  -1.497   7.621
  162    HZ   PHE  24           HZ       PHE  24  -4.513   0.148   8.600
  163    H    CYS  25           H        CYS  25  -3.585   0.474   2.280
  164    HA   CYS  25           HA       CYS  25  -0.767   0.991   1.798
  165    HB2  CYS  25           1HB      CYS  25  -3.320   2.482   1.294
  166    HB3  CYS  25           2HB      CYS  25  -1.767   3.332   1.218
  167    H    GLY  26           H        GLY  26   0.557   1.840   3.259
  168    HA2  GLY  26           2HA      GLY  26  -0.486   3.711   5.247
  169    HA3  GLY  26           3HA      GLY  26   0.269   2.243   5.851
  170    H    SER  27           H        SER  27   1.794   3.646   6.916
  171    HA   SER  27           HA       SER  27   3.963   4.448   5.103
  172    HB2  SER  27           1HB      SER  27   2.602   6.431   5.928
  173    HB3  SER  27           2HB      SER  27   3.203   6.048   7.551
  174    HG   SER  27           HG       SER  27   4.452   7.631   6.293
  175    H    GLY  28           H        GLY  28   5.895   5.171   6.783
  176    HA2  GLY  28           2HA      GLY  28   7.422   4.453   8.353
  177    HA3  GLY  28           3HA      GLY  28   6.138   3.506   9.091
  178    H    ASP  29           H        ASP  29   8.808   2.635   8.827
  179    HA   ASP  29           HA       ASP  29   9.235   0.980   6.592
  180    HB2  ASP  29           1HB      ASP  29  10.419   1.287   9.295
  181    HB3  ASP  29           2HB      ASP  29  10.678  -0.272   8.501
  182    HD2  ASP  29           HD       ASP  29  12.863   1.080   6.198
  183    H    ALA  30           H        ALA  30   7.131   0.662   9.245
  184    HA   ALA  30           HA       ALA  30   7.022  -2.117   9.580
  185    HB1  ALA  30           1HB      ALA  30   5.968  -0.437  11.080
  186    HB2  ALA  30           2HB      ALA  30   4.717  -0.196   9.859
  187    HB3  ALA  30           3HB      ALA  30   4.898  -1.768  10.637
  188    H    TYR  31           H        TYR  31   5.587  -0.010   7.178
  189    HA   TYR  31           HA       TYR  31   4.416  -2.379   5.871
  190    HB2  TYR  31           1HB      TYR  31   3.472   0.500   5.784
  191    HB3  TYR  31           2HB      TYR  31   2.783  -0.815   4.830
  192    HD1  TYR  31           2HD      TYR  31   1.647  -2.731   5.997
  193    HD2  TYR  31           1HD      TYR  31   2.795   0.819   8.042
  194    HE1  TYR  31           2HE      TYR  31   0.107  -3.295   7.830
  195    HE2  TYR  31           1HE      TYR  31   1.260   0.265   9.880
  196    HH   TYR  31           HH       TYR  31  -0.795  -1.091  10.218
  197    H    CYS  32           H        CYS  32   6.616   0.215   5.638
  198    HA   CYS  32           HA       CYS  32   6.746   0.146   2.732
  199    HB2  CYS  32           1HB      CYS  32   8.054   1.785   4.878
  200    HB3  CYS  32           2HB      CYS  32   8.721   1.775   3.237
  201    H    GLY  33           H        GLY  33   8.349  -1.213   5.478
  202    HA2  GLY  33           2HA      GLY  33  10.870  -1.781   4.408
  203    HA3  GLY  33           3HA      GLY  33  10.072  -2.717   5.662
  204    H    ALA  34           H        ALA  34  11.716  -3.924   3.802
  205    HA   ALA  34           HA       ALA  34  10.144  -5.025   1.656
  206    HB1  ALA  34           1HB      ALA  34  12.929  -5.038   2.465
  207    HB2  ALA  34           2HB      ALA  34  12.384  -6.622   1.912
  208    HB3  ALA  34           3HB      ALA  34  12.215  -5.215   0.861
  209    H    GLY  35           H        GLY  35   8.627  -6.506   2.006
  210    HA2  GLY  35           2HA      GLY  35   8.875  -9.042   2.819
  211    HA3  GLY  35           3HA      GLY  35   8.745  -8.208   4.360
  212    H    SER  36           H        SER  36   6.947  -6.172   3.052
  213    HA   SER  36           HA       SER  36   4.550  -7.792   2.599
  214    HB2  SER  36           1HB      SER  36   4.654  -7.238   5.030
  215    HB3  SER  36           2HB      SER  36   4.645  -5.519   4.597
  216    HG   SER  36           HG       SER  36   2.569  -5.637   4.377
  217    H    CYS  37           H        CYS  37   6.473  -5.707   1.272
  218    HA   CYS  37           HA       CYS  37   4.552  -3.677   0.465
  219    HB2  CYS  37           1HB      CYS  37   7.002  -3.224   0.974
  220    HB3  CYS  37           2HB      CYS  37   7.365  -4.014  -0.571
  221    H    GLN  38           H        GLN  38   3.524  -3.598  -1.453
  222    HA   GLN  38           HA       GLN  38   4.202  -5.651  -3.454
  223    HB2  GLN  38           1HB      GLN  38   2.167  -6.325  -2.333
  224    HB3  GLN  38           2HB      GLN  38   1.457  -4.725  -2.593
  225    HG2  GLN  38           1HG      GLN  38   2.201  -5.646  -5.137
  226    HG3  GLN  38           2HG      GLN  38   1.448  -7.018  -4.312
  227   HE21  GLN  38          1HE2      GLN  38  -0.617  -6.418  -3.111
  228   HE22  GLN  38          2HE2      GLN  38  -1.725  -5.405  -3.964
  229    H    SER  39           H        SER  39   2.424  -2.597  -2.994
  230    HA   SER  39           HA       SER  39   3.455  -1.719  -5.610
  231    HB2  SER  39           1HB      SER  39   0.951  -2.370  -5.524
  232    HB3  SER  39           2HB      SER  39   0.750  -0.877  -4.589
  233    HG   SER  39           HG       SER  39   2.191  -0.711  -6.969
  234    H    GLN  40           H        GLN  40   3.686   0.585  -5.856
  235    HA   GLN  40           HA       GLN  40   4.453   2.616  -5.179
  236    HB2  GLN  40           1HB      GLN  40   2.444   2.048  -2.996
  237    HB3  GLN  40           2HB      GLN  40   3.319   3.583  -3.122
  238    HG2  GLN  40           1HG      GLN  40   1.275   4.007  -4.157
  239    HG3  GLN  40           2HG      GLN  40   2.399   3.723  -5.493
  240   HE21  GLN  40          1HE2      GLN  40   1.351   2.733  -7.059
  241   HE22  GLN  40          2HE2      GLN  40   0.286   1.385  -6.878
  242    H    CYS  41           H        CYS  41   6.143   0.542  -4.592
  243    HA   CYS  41           HA       CYS  41   6.993   0.671  -1.843
  244    HB2  CYS  41           1HB      CYS  41   8.149  -0.623  -4.310
  245    HB3  CYS  41           2HB      CYS  41   8.938  -0.706  -2.726
  246    H    ARG  42           H        ARG  42   7.104   3.139  -2.141
  247    HA   ARG  42           HA       ARG  42   9.861   3.869  -2.181
  248    HB2  ARG  42           1HB      ARG  42   9.176   3.807  -4.643
  249    HB3  ARG  42           2HB      ARG  42   8.170   5.218  -4.277
  250    HG2  ARG  42           1HG      ARG  42   9.911   6.618  -4.273
  251    HG3  ARG  42           2HG      ARG  42  10.917   5.494  -3.343
  252    HD2  ARG  42           1HD      ARG  42  11.718   4.416  -5.231
  253    HD3  ARG  42           2HD      ARG  42  10.326   4.900  -6.207
  254    HE   ARG  42           HE       ARG  42  11.709   7.216  -5.502
  255   HH11  ARG  42          1HH1      ARG  42  12.193   4.342  -7.406
  256   HH12  ARG  42          2HH1      ARG  42  13.275   5.107  -8.522
  257   HH21  ARG  42          1HH2      ARG  42  13.132   8.234  -6.965
  258   HH22  ARG  42          2HH2      ARG  42  13.808   7.320  -8.271
  259    H    GLY  43           H        GLY  43   7.386   4.002  -0.526
  260    HA2  GLY  43           2HA      GLY  43   6.547   6.712  -0.348
  261    HA3  GLY  43           3HA      GLY  43   6.298   5.471   0.871
  262    H    CYS  44           H        CYS  44   6.713   7.754   1.978
  263    HA   CYS  44           HA       CYS  44   9.573   8.162   2.420
  264    HB2  CYS  44           1HB      CYS  44   7.301   9.747   3.612
  265    HB3  CYS  44           2HB      CYS  44   8.995  10.239   3.438