*HEADER    TRANSPORT PROTEIN                       20-APR-06   2GQE              
*TITLE     MOLECULAR CHARACTERIZATION OF THE RAN BINDING ZINC FINGER             
*TITLE    2 DOMAIN                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUCLEAR PORE COMPLEX PROTEIN NUP153;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SECOND ZINC FINGER, RESIDUES 722-750;                      
*COMPND   5 SYNONYM: NUCLEOPORIN NUP153, 153 KDA NUCLEOPORIN;                    
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: NUP153;                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) CODON PLUS;                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX2T VARIANT WITH TEV                   
*SOURCE  10 CLEAVAGE SITE                                                        
*KEYWDS    ZINC FINGER, RAN, NUCLEAR PORE, ZINC KNUCKLE, NUCLEOPORIN,            
*KEYWDS   2 PORE, TRANSPORT, NUP153, NUP358, RANBP2                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.M.HIGA, S.L.ALAM, W.I.SUNDQUIST, K.S.ULLMAN                         
*REVDAT   1   10-APR-07 2GQE    0                                                


  7 THR  HB     19 PRO  HA      5.43            #peak     5 #SUP  0.60  #QF  0.60
  9 ASP  HA     17 ASN  QD2     4.23            #peak    86 #SUP  0.49  #QF  0.49
  9 ASP  HA     16 GLN  HA      3.64            #peak    88 #SUP  0.74  #QF  0.74
  2 HIS  HA      2 HIS  HD2     4.49            #peak    96 #SUP  0.52  #QF  0.52
 26 ALA  HA     27 CYS- HB3     5.50            #peak   106 #SUP  0.80  #QF  0.80
  8 TRP  HZ2    21 ALA  HA      5.23            #peak   124 #SUP  0.93  #QF  0.93
 10 CYS- HA     12 THR  H       4.44            #peak   135 #SUP  0.88  #QF  0.88
 29 THR  HA     30 PRO  HD2     3.12            #peak   157 #SUP  0.72  #QF  0.72
 29 THR  HA     30 PRO  HD3     3.12            #peak   158 #SUP  0.93  #QF  0.93
 23 LYS  HB3    30 PRO  HA      3.47            #peak   159 #SUP  0.98  #QF  0.70
 23 LYS  HA     30 PRO  HA      4.00            #peak   162 #SUP  0.76  #QF  0.76
 22 ILE  HA     22 ILE  QG2     3.12            #peak   176 #SUP  0.96  #QF  0.96
 22 ILE  HA     31 LYS  HB2     3.81            #peak   177 #SUP  0.71  #QF  0.60
  7 THR  QG2    18 LYS  HA      3.97            #peak   179 #SUP  0.43  #QF  0.43
 18 LYS  HA     19 PRO  HD2     3.25            #peak   182 #SUP  0.98  #QF  0.98
 18 LYS  HA     19 PRO  HD3     2.98            #peak   183 #SUP  0.95  #QF  0.95
  7 THR  HA      8 TRP  HD1     4.37            #peak   188 #SUP  0.53  #QF  0.53
  7 THR  HA     19 PRO  HB3     4.60            #peak   192 #SUP  0.97  #QF  0.80
  7 THR  HA     19 PRO  HG3     5.08            #peak   192 #SUP  0.97  #QF  0.80
  7 THR  HA      7 THR  QG2     3.30            #peak   193 #SUP  0.88  #QF  0.88
 10 CYS- HB3    14 LEU  HA      4.35            #peak   198 #SUP  0.58  #QF  0.58
 20 GLU  HA     20 GLU  QG      3.25            #peak   205 #SUP  0.95  #QF  0.95
 20 GLU  HA     20 GLU  QB      2.89            #peak   206 #SUP  0.96  #QF  0.96
  5 ILE  HA      5 ILE  QG2     3.47            #peak   223 #SUP  0.84  #QF  0.84
 24 CYS- HA     26 ALA  H       4.62            #peak   237 #SUP  0.84  #QF  0.68
 26 ALA  H      28 GLU  HA      5.18            #peak   237 #SUP  0.84  #QF  0.68
 24 CYS- H      28 GLU  HA      4.30            #peak   239 #SUP  0.96  #QF  0.94
  8 TRP  HH2    24 CYS- HA      3.73            #peak   241 #SUP  0.80  #QF  0.80
 24 CYS- HB3    28 GLU  HA      4.61            #peak   244 #SUP  0.93  #QF  0.76
 28 GLU  HA     28 GLU  HG3     3.84            #peak   249 #SUP  0.93  #QF  0.93
 23 LYS  QD     28 GLU  HA      4.21            #peak   250 #SUP  0.85  #QF  0.85
 25 VAL  HA     25 VAL  QG1     3.40            #peak   256 #SUP  0.65  #QF  0.65
 31 LYS  HA     32 PRO  HD2     3.13            #peak   258 #SUP  0.99  #QF  0.99
 31 LYS  HG3    32 PRO  HD2     4.23            #peak   263 #SUP  0.83  #QF  0.83
 18 LYS  HB2    19 PRO  HD2     4.00            #peak   272 #SUP  0.79  #QF  0.79
  7 THR  HA     19 PRO  HD3     3.09            #peak   301 #SUP  1.00  #QF  0.45
  8 TRP  HZ3    31 LYS  HA      4.45            #peak   306 #SUP  0.43  #QF  0.43
  8 TRP  HH2    31 LYS  HA      4.30            #peak   309 #SUP  0.88  #QF  0.88
 31 LYS  HA     32 PRO  QG      4.41            #peak   313 #SUP  1.00
 31 LYS  HA     31 LYS  HG2     3.77            #peak   314 #SUP  0.99  #QF  0.99
 31 LYS  HA     31 LYS  HG3     3.41            #peak   316 #SUP  0.97  #QF  0.97
 31 LYS  HA     32 PRO  HD3     3.13            #peak   319 #SUP  0.99  #QF  0.99
 31 LYS  HG3    32 PRO  HD3     4.23            #peak   324 #SUP  0.92  #QF  0.92
  6 GLY  HA3    19 PRO  HB2     4.15            #peak   328 #SUP  0.58  #QF  0.58
 18 LYS  HG3    18 LYS  QE      3.81            #peak   341 #SUP  0.81  #QF  0.81
 23 LYS  HG2    23 LYS  QE      3.99            #peak   344 #SUP  0.90  #QF  0.90
 23 LYS  HG3    23 LYS  QE      3.99            #peak   345 #SUP  0.99  #QF  0.99
 11 ASP  H      11 ASP  HB3     3.83            #peak   349 #SUP  1.00
 31 LYS  HG3    31 LYS  HE2     4.08            #peak   362 #SUP  1.00
 31 LYS  HG3    31 LYS  HE3     4.08            #peak   367 #SUP  0.99  #QF  0.99
 17 ASN  HB2    18 LYS  H       3.99            #peak   370 #SUP  0.99  #QF  0.99
  8 TRP  HZ2    17 ASN  HB2     4.48            #peak   371 #SUP  0.62  #QF  0.62
 17 ASN  HB2    21 ALA  QB      4.01            #peak   372 #SUP  0.94  #QF  0.94
 22 ILE  HB     23 LYS  HG2     4.42            #peak   382 #SUP  1.00
  5 ILE  HB      5 ILE  QD1     3.60            #peak   393 #SUP  0.64  #QF  0.64
 14 LEU  HB3    14 LEU  QD1     4.11            #peak   396 #SUP  1.00  #QF  0.99
 20 GLU  H      20 GLU  QG      3.97            #peak   402 #SUP  0.99  #QF  0.99
 18 LYS  HG2    20 GLU  QG      4.77            #peak   407 #SUP  0.48  #QF  0.48
 28 GLU  HA     28 GLU  HG2     3.84            #peak   423 #SUP  0.99  #QF  0.99
 23 LYS  HB3    28 GLU  HA      4.73            #peak   447 #SUP  0.96  #QF  0.96
 19 PRO  HB3    20 GLU  H       4.41            #peak   490 #SUP  0.89  #QF  0.89
 15 VAL  HB     16 GLN  H       4.41            #peak   493 #SUP  0.95  #QF  0.95
 18 LYS  H      18 LYS  HB2     3.68            #peak   517 #SUP  0.98  #QF  0.98
  3 MET  HB2    18 LYS  HB2     4.30            #peak   526 #SUP  0.71  #QF  0.71
  3 MET  HB3    18 LYS  HB2     4.30            #peak   527 #SUP  0.80  #QF  0.80
 18 LYS  HB3    19 PRO  HD2     3.80            #peak   535 #SUP  0.97  #QF  0.97
 17 ASN  HB3    18 LYS  HB3     5.18            #peak   542 #SUP  0.41  #QF  0.41
 26 ALA  QB     27 CYS- HB3     4.38            #peak   558 #SUP  0.75  #QF  0.75
 12 THR  QG2    13 CYS- HB3     4.34            #peak   568 #SUP  0.95  #QF  0.95
 27 CYS- H      27 CYS- HB2     4.05            #peak   591 #SUP  0.93  #QF  0.93
  8 TRP  HH2    24 CYS- HB3     4.76            #peak   597 #SUP  0.80  #QF  0.80
 24 CYS- HB3    29 THR  HB      4.95            #peak   598 #SUP  0.98  #QF  0.93
 12 THR  QG2    13 CYS- HB2     4.34            #peak   602 #SUP  0.94  #QF  0.94
 10 CYS- HB3    15 VAL  HB      4.24            #peak   607 #SUP  0.64  #QF  0.64
  8 TRP  HB3     8 TRP  HE3     4.14            #peak   625 #SUP  0.94  #QF  0.94
 24 CYS- HB2    29 THR  HB      3.49            #peak   627 #SUP  1.00  #QF  0.99
 10 CYS- HB2    24 CYS- HB2     4.59            #peak   629 #SUP  0.29  #QF  0.29
 23 LYS  QD     28 GLU  HB2     4.49            #peak   635 #SUP  0.85  #QF  0.85
 23 LYS  QE     28 GLU  HB3     4.28            #peak   638 #SUP  0.82  #QF  0.82
 23 LYS  QD     28 GLU  HB3     3.68            #peak   643 #SUP  0.97  #QF  0.97
 18 LYS  HG3    19 PRO  HG2     4.77            #peak   648 #SUP  0.78  #QF  0.78
 19 PRO  HG2    20 GLU  H       4.48            #peak   651 #SUP  0.95  #QF  0.95
 20 GLU  QB     20 GLU  QG      2.40            #peak   662 #SUP  0.98  #QF  0.98
 31 LYS  HG2    32 PRO  QG      4.21            #peak   673 #SUP  0.97  #QF  0.97
  6 GLY  HA3    19 PRO  HG3     4.21            #peak   678 #SUP  0.92  #QF  0.49
 14 LEU  HA     14 LEU  HG      4.27            #peak   725 #SUP  0.94  #QF  0.94
 22 ILE  H      22 ILE  HG13    4.61            #peak   738 #SUP  0.69  #QF  0.49
 18 LYS  HA     18 LYS  HG2     4.25            #peak   745 #SUP  0.99  #QF  0.99
 18 LYS  H      18 LYS  HG3     4.04            #peak   747 #SUP  0.98  #QF  0.98
 22 ILE  HB     23 LYS  HG3     4.42            #peak   770 #SUP  0.77  #QF  0.77
 18 LYS  H      21 ALA  QB      3.99            #peak   778 #SUP  0.97  #QF  0.97
 18 LYS  HG2    21 ALA  QB      3.38            #peak   783 #SUP  0.71  #QF  0.71
 17 ASN  HB3    21 ALA  QB      4.21            #peak   784 #SUP  0.94  #QF  0.94
 26 ALA  H      26 ALA  QB      3.13            #peak   786 #SUP  0.97  #QF  0.97
 15 VAL  QG2    26 ALA  QB      3.48            #peak   790 #SUP  0.76  #QF  0.76
 29 THR  HA     29 THR  QG2     3.62            #peak   793 #SUP  0.95  #QF  0.95
 12 THR  H      12 THR  QG2     4.08            #peak   808 #SUP  0.96  #QF  0.96
 12 THR  QG2    13 CYS- H       4.02            #peak   809 #SUP  0.97  #QF  0.97
 12 THR  HA     12 THR  QG2     3.19            #peak   811 #SUP  0.98  #QF  0.98
  7 THR  QG2     8 TRP  H       4.03            #peak   815 #SUP  0.74  #QF  0.74
  7 THR  H       7 THR  QG2     4.12            #peak   816 #SUP  0.69  #QF  0.69
  7 THR  QG2    19 PRO  HD3     4.21            #peak   817 #SUP  0.74  #QF  0.74
  7 THR  QG2    19 PRO  HG3     4.36            #peak   818 #SUP  0.88  #QF  0.40
 25 VAL  QG1    26 ALA  H       4.57            #peak   823 #SUP  0.98  #QF  0.98
 25 VAL  H      25 VAL  QG1     4.07            #peak   824 #SUP  0.99  #QF  0.99
 25 VAL  QG2    26 ALA  H       4.57            #peak   829 #SUP  0.90  #QF  0.90
 25 VAL  HA     25 VAL  QG2     3.40            #peak   831 #SUP  0.99  #QF  0.99
 22 ILE  QG2    22 ILE  HG12    4.02            #peak   845 #SUP  0.99  #QF  0.70
 22 ILE  QG2    22 ILE  HG13    4.02            #peak   845 #SUP  0.99  #QF  0.70
 14 LEU  HB2    14 LEU  QD2     4.11            #peak   856 #SUP  1.00
 14 LEU  HB3    14 LEU  QD2     4.11            #peak   857 #SUP  0.99  #QF  0.99
 14 LEU  HA     14 LEU  QD2     4.44            #peak   860 #SUP  0.93  #QF  0.93
 15 VAL  HA     15 VAL  QG1     3.38            #peak   865 #SUP  0.99  #QF  0.99
 15 VAL  QG1    26 ALA  QB      3.48            #peak   867 #SUP  0.99  #QF  0.99
 15 VAL  QG2    16 GLN  H       3.99            #peak   870 #SUP  0.98  #QF  0.98
 15 VAL  H      15 VAL  QG2     4.06            #peak   871 #SUP  0.96  #QF  0.96
 15 VAL  HA     15 VAL  QG2     3.38            #peak   872 #SUP  0.98  #QF  0.98
 14 LEU  HA     14 LEU  QD1     4.44            #peak   878 #SUP  1.00
 14 LEU  HB2    14 LEU  QD1     4.11            #peak   879 #SUP  0.97  #QF  0.97
 22 ILE  HB     22 ILE  QD1     3.36            #peak   885 #SUP  0.98  #QF  0.98
  5 ILE  HA      5 ILE  QD1     4.22            #peak   887 #SUP  0.99  #QF  0.99
 23 LYS  HB2    30 PRO  HA      3.98            #peak   904 #SUP  0.71  #QF  0.71
 12 THR  QG2    13 CYS- HA      4.22            #peak   918 #SUP  0.74  #QF  0.74
  8 TRP  HB2     8 TRP  HE3     3.89            #peak   924 #SUP  0.88  #QF  0.88
  7 THR  HB      8 TRP  H       3.96            #peak   941 #SUP  0.94  #QF  0.94
  7 THR  HB     19 PRO  HB3     5.50            #peak   943 #SUP  0.95  #QF  0.60
  7 THR  HB     19 PRO  HG3     5.50            #peak   943 #SUP  0.95  #QF  0.60
  8 TRP  HE1    21 ALA  H       3.88            #peak     3 #SUP  0.81  #QF  0.81
  8 TRP  HE1    19 PRO  HA      3.95            #peak     8 #SUP  0.80  #QF  0.80
  8 TRP  HE1    21 ALA  QB      3.41            #peak    10 #SUP  0.76  #QF  0.76
  8 TRP  HE1    17 ASN  HB2     3.82            #peak    11 #SUP  0.60  #QF  0.60
  8 TRP  HE1    31 LYS  HB2     4.76            #peak    13 #SUP  0.73  #QF  0.73
  8 TRP  HE1    17 ASN  HB3     4.33            #peak    14 #SUP  0.61  #QF  0.61
 11 ASP  HB2    12 THR  H       5.24            #peak    16 #SUP  0.92  #QF  0.86
 11 ASP  HB3    12 THR  H       5.24            #peak    16 #SUP  0.92  #QF  0.86
 11 ASP  H      12 THR  H       3.30            #peak    18 #SUP  0.93  #QF  0.93
 12 THR  H      13 CYS- H       3.18            #peak    19 #SUP  0.88  #QF  0.88
 12 THR  H      14 LEU  H       4.10            #peak    20 #SUP  0.85  #QF  0.85
 12 THR  H      12 THR  HB      3.13            #peak    22 #SUP  0.62  #QF  0.62
 10 CYS- HB3    12 THR  H       4.28            #peak    24 #SUP  0.47  #QF  0.47
 16 GLN  HB2    17 ASN  H       4.42            #peak    28 #SUP  0.44  #QF  0.44
  9 ASP  HA     17 ASN  H       4.32            #peak    31 #SUP  0.38  #QF  0.38
 16 GLN  HA     17 ASN  H       2.81            #peak    32 #SUP  0.65  #QF  0.65
  7 THR  HA     17 ASN  H       5.50            #peak    33 #SUP  0.90  #QF  0.76
 17 ASN  H      18 LYS  HA      5.50            #peak    33 #SUP  0.90  #QF  0.76
 17 ASN  H      17 ASN  HB2     3.99            #peak    35 #SUP  0.73  #QF  0.73
 17 ASN  H      17 ASN  HB3     3.91            #peak    37 #SUP  0.77  #QF  0.77
 25 VAL  H      26 ALA  H       3.41            #peak    39 #SUP  0.87  #QF  0.87
 17 ASN  QD2    26 ALA  H       4.96            #peak    42 #SUP  0.88  #QF  0.88
 24 CYS- HB3    26 ALA  H       4.51            #peak    48 #SUP  0.83  #QF  0.83
 24 CYS- HB2    26 ALA  H       4.58            #peak    49 #SUP  0.55  #QF  0.55
 25 VAL  HB     26 ALA  H       4.54            #peak    50 #SUP  0.90  #QF  0.90
 19 PRO  HD2    20 GLU  H       3.92            #peak    56 #SUP  0.63  #QF  0.63
 18 LYS  HB3    20 GLU  H       4.29            #peak    58 #SUP  0.50  #QF  0.50
 20 GLU  H      20 GLU  QB      3.28            #peak    59 #SUP  0.95  #QF  0.95
 19 PRO  HG3    20 GLU  H       4.98            #peak    60 #SUP  1.00  #QF  0.97
 20 GLU  H      21 ALA  QB      4.40            #peak    61 #SUP  0.89  #QF  0.89
 18 LYS  HB2    20 GLU  H       4.10            #peak    62 #SUP  0.95  #QF  0.73
 11 ASP  H      12 THR  HA      4.84            #peak    65 #SUP  0.54  #QF  0.54
 10 CYS- H      11 ASP  H       4.85            #peak    70 #SUP  0.88  #QF  0.88
 10 CYS- HA     11 ASP  H       2.69            #peak    71 #SUP  0.53  #QF  0.53
 11 ASP  H      12 THR  HB      4.46            #peak    72 #SUP  0.85  #QF  0.85
 11 ASP  H      11 ASP  HB2     3.83            #peak    74 #SUP  0.71  #QF  0.71
 25 VAL  H      27 CYS- H       4.45            #peak    77 #SUP  0.65  #QF  0.65
 24 CYS- HB2    25 VAL  H       4.44            #peak    79 #SUP  0.91  #QF  0.91
 17 ASN  QD2    25 VAL  H       3.84            #peak    82 #SUP  0.94  #QF  0.94
 24 CYS- HA     25 VAL  H       2.78            #peak    83 #SUP  0.91  #QF  0.91
 24 CYS- HB3    25 VAL  H       4.58            #peak    84 #SUP  0.79  #QF  0.79
 25 VAL  H      25 VAL  HB      3.31            #peak    85 #SUP  0.90  #QF  0.90
 25 VAL  H      25 VAL  QG2     4.07            #peak    86 #SUP  0.53  #QF  0.53
  8 TRP  HE3     9 ASP  H       4.61            #peak    89 #SUP  0.83  #QF  0.83
  9 ASP  H      16 GLN  HA      5.17            #peak    90 #SUP  0.87  #QF  0.87
  8 TRP  HB2     9 ASP  H       3.54            #peak    91 #SUP  0.77  #QF  0.77
  8 TRP  HB3     9 ASP  H       4.22            #peak    92 #SUP  0.97  #QF  0.97
  9 ASP  H       9 ASP  HB2     3.25            #peak    93 #SUP  0.83  #QF  0.83
  8 TRP  HA      9 ASP  H       2.86            #peak    95 #SUP  0.92  #QF  0.92
  9 ASP  H       9 ASP  HB3     3.93            #peak    97 #SUP  0.95  #QF  0.95
 10 CYS- HB2    13 CYS- H       4.50            #peak   100 #SUP  0.42  #QF  0.42
 12 THR  HB     13 CYS- H       3.31            #peak   105 #SUP  0.90  #QF  0.90
 10 CYS- HB3    13 CYS- H       3.98            #peak   106 #SUP  0.82  #QF  0.49
 13 CYS- H      27 CYS- HB3     5.26            #peak   107 #SUP  0.96  #QF  0.92
 27 CYS- HB3    29 THR  H       4.99            #peak   111 #SUP  0.76  #QF  0.76
 27 CYS- H      29 THR  H       4.11            #peak   114 #SUP  0.95  #QF  0.95
 28 GLU  H      29 THR  H       3.34            #peak   115 #SUP  0.88  #QF  0.88
 29 THR  H      29 THR  HB      2.89            #peak   119 #SUP  0.62  #QF  0.62
 24 CYS- HB3    29 THR  H       2.99            #peak   120 #SUP  0.60  #QF  0.60
 24 CYS- HB2    29 THR  H       3.55            #peak   121 #SUP  0.79  #QF  0.79
 28 GLU  HB3    29 THR  H       4.76            #peak   122 #SUP  0.97  #QF  0.97
 29 THR  H      29 THR  QG2     3.95            #peak   124 #SUP  0.83  #QF  0.83
 22 ILE  H      22 ILE  HG12    4.61            #peak   126 #SUP  0.88  #QF  0.36
 21 ALA  HA     22 ILE  H       2.94            #peak   130 #SUP  0.79  #QF  0.79
 21 ALA  QB     22 ILE  H       4.00            #peak   133 #SUP  0.90  #QF  0.90
 22 ILE  H      22 ILE  QG2     4.07            #peak   134 #SUP  0.81  #QF  0.81
 23 LYS  H      24 CYS- H       4.49            #peak   136 #SUP  0.86  #QF  0.86
 24 CYS- H      28 GLU  H       4.33            #peak   137 #SUP  0.44  #QF  0.44
 24 CYS- H      31 LYS  H       4.45            #peak   138 #SUP  0.85  #QF  0.85
  8 TRP  HZ3    24 CYS- H       4.44            #peak   139 #SUP  0.72  #QF  0.72
  8 TRP  HH2    24 CYS- H       3.41            #peak   141 #SUP  0.84  #QF  0.84
 23 LYS  HA     24 CYS- H       2.79            #peak   143 #SUP  0.77  #QF  0.77
 24 CYS- H      29 THR  HA      4.24            #peak   144 #SUP  0.44  #QF  0.44
 24 CYS- H      24 CYS- HB3     3.03            #peak   146 #SUP  0.63  #QF  0.63
 24 CYS- H      24 CYS- HB2     2.98            #peak   147 #SUP  0.75  #QF  0.75
 23 LYS  HB2    24 CYS- H       3.90            #peak   148 #SUP  0.91  #QF  0.91
 23 LYS  HB3    24 CYS- H       3.88            #peak   149 #SUP  0.79  #QF  0.73
 24 CYS- H      29 THR  QG2     4.08            #peak   149 #SUP  0.79  #QF  0.73
  5 ILE  HA      6 GLY  H       3.45            #peak   154 #SUP  0.63  #QF  0.63
 10 CYS- H      15 VAL  H       4.03            #peak   157 #SUP  0.95  #QF  0.95
 10 CYS- H      14 LEU  H       4.90            #peak   158 #SUP  0.77  #QF  0.77
 10 CYS- H      17 ASN  QD2     4.00            #peak   159 #SUP  0.80  #QF  0.80
  9 ASP  HA     10 CYS- H       2.76            #peak   160 #SUP  0.77  #QF  0.77
 10 CYS- H      14 LEU  HA      4.17            #peak   163 #SUP  0.83  #QF  0.83
 10 CYS- H      10 CYS- HB3     2.89            #peak   164 #SUP  0.87  #QF  0.87
 10 CYS- H      10 CYS- HB2     3.02            #peak   165 #SUP  0.86  #QF  0.86
  9 ASP  HB2    10 CYS- H       4.17            #peak   166 #SUP  0.80  #QF  0.80
  9 ASP  HB3    10 CYS- H       3.60            #peak   167 #SUP  0.93  #QF  0.93
  5 ILE  H       5 ILE  HB      3.96            #peak   173 #SUP  0.86  #QF  0.86
  5 ILE  H       5 ILE  QG2     5.24            #peak   175 #SUP  1.00  #QF  0.70
 18 LYS  H      21 ALA  H       4.95            #peak   183 #SUP  0.47  #QF  0.47
 17 ASN  HA     18 LYS  H       2.77            #peak   185 #SUP  0.66  #QF  0.66
 18 LYS  H      19 PRO  HD2     4.80            #peak   187 #SUP  0.80  #QF  0.80
 18 LYS  H      18 LYS  HB3     3.70            #peak   189 #SUP  0.84  #QF  0.84
 18 LYS  H      18 LYS  HG2     2.83            #peak   191 #SUP  0.55  #QF  0.55
 17 ASN  HB3    18 LYS  H       4.15            #peak   193 #SUP  0.72  #QF  0.72
 27 CYS- H      28 GLU  H       2.98            #peak   197 #SUP  0.92  #QF  0.92
 27 CYS- H      27 CYS- HB3     3.55            #peak   198 #SUP  0.69  #QF  0.69
 26 ALA  QB     27 CYS- H       3.34            #peak   199 #SUP  0.82  #QF  0.82
 26 ALA  H      27 CYS- H       3.03            #peak   200 #SUP  0.84  #QF  0.84
 27 CYS- H      28 GLU  HA      4.25            #peak   204 #SUP  0.80  #QF  0.80
 24 CYS- HB3    27 CYS- H       3.77            #peak   205 #SUP  0.71  #QF  0.71
 24 CYS- HB2    27 CYS- H       4.35            #peak   206 #SUP  0.94  #QF  0.94
 15 VAL  HA     16 GLN  H       2.68            #peak   210 #SUP  0.82  #QF  0.82
 16 GLN  H      16 GLN  HB2     3.11            #peak   212 #SUP  0.89  #QF  0.89
 16 GLN  H      16 GLN  HB3     3.69            #peak   213 #SUP  0.98  #QF  0.98
 15 VAL  QG1    16 GLN  H       3.99            #peak   215 #SUP  0.92  #QF  0.92
  7 THR  HA      8 TRP  H       2.84            #peak   217 #SUP  0.67  #QF  0.67
  8 TRP  H      17 ASN  H       3.74            #peak   220 #SUP  0.88  #QF  0.88
  8 TRP  H      17 ASN  HB3     5.22            #peak   226 #SUP  0.59  #QF  0.59
 14 LEU  H      15 VAL  H       3.56            #peak   237 #SUP  0.91  #QF  0.91
 10 CYS- HB3    15 VAL  H       3.32            #peak   240 #SUP  0.90  #QF  0.90
 10 CYS- HB2    15 VAL  H       4.06            #peak   241 #SUP  0.88  #QF  0.88
 15 VAL  H      15 VAL  HB      3.26            #peak   242 #SUP  0.90  #QF  0.90
 15 VAL  H      15 VAL  QG1     4.06            #peak   245 #SUP  0.61  #QF  0.61
 19 PRO  HA     21 ALA  H       4.52            #peak   248 #SUP  0.85  #QF  0.85
 20 GLU  H      21 ALA  H       3.24            #peak   250 #SUP  0.95  #QF  0.95
 20 GLU  QG     21 ALA  H       4.16            #peak   254 #SUP  0.95  #QF  0.95
 20 GLU  QB     21 ALA  H       4.20            #peak   255 #SUP  0.93  #QF  0.93
 21 ALA  H      21 ALA  QB      2.86            #peak   256 #SUP  0.86  #QF  0.86
 18 LYS  HG2    21 ALA  H       3.72            #peak   257 #SUP  0.79  #QF  0.79
 23 LYS  H      31 LYS  H       4.60            #peak   258 #SUP  0.76  #QF  0.76
 22 ILE  H      23 LYS  H       2.90            #peak   259 #SUP  0.94  #QF  0.94
  8 TRP  HZ2    23 LYS  H       3.83            #peak   261 #SUP  0.56  #QF  0.56
 21 ALA  HA     23 LYS  H       4.16            #peak   263 #SUP  0.93  #QF  0.93
 22 ILE  HB     23 LYS  H       4.50            #peak   265 #SUP  0.95  #QF  0.95
 21 ALA  QB     23 LYS  H       3.58            #peak   266 #SUP  0.78  #QF  0.78
 23 LYS  H      23 LYS  HB2     4.02            #peak   267 #SUP  0.97  #QF  0.97
 23 LYS  H      23 LYS  HB3     4.16            #peak   268 #SUP  0.88  #QF  0.88
 22 ILE  QG2    23 LYS  H       4.18            #peak   270 #SUP  0.96  #QF  0.96
 23 LYS  H      31 LYS  HB2     4.61            #peak   271 #SUP  0.89  #QF  0.89
 26 ALA  H      28 GLU  H       4.11            #peak   273 #SUP  0.60  #QF  0.60
 28 GLU  H      28 GLU  HA      2.76            #peak   278 #SUP  0.76  #QF  0.76
 24 CYS- HB3    28 GLU  H       3.42            #peak   279 #SUP  0.70  #QF  0.70
 24 CYS- HB2    28 GLU  H       4.13            #peak   280 #SUP  0.86  #QF  0.86
 23 LYS  HB2    28 GLU  H       4.84            #peak   284 #SUP  0.88  #QF  0.88
 26 ALA  QB     28 GLU  H       4.47            #peak   285 #SUP  0.90  #QF  0.90
  6 GLY  H       7 THR  H       4.39            #peak   287 #SUP  0.90  #QF  0.90
  6 GLY  HA3     7 THR  H       3.44            #peak   291 #SUP  0.60  #QF  0.60
  7 THR  H      19 PRO  HG3     4.52            #peak   293 #SUP  0.72  #QF  0.32
 13 CYS- H      14 LEU  H       2.89            #peak   296 #SUP  0.84  #QF  0.84
 14 LEU  H      14 LEU  HA      2.67            #peak   301 #SUP  0.73  #QF  0.73
 10 CYS- HB3    14 LEU  H       3.36            #peak   302 #SUP  0.83  #QF  0.83
 10 CYS- HB2    14 LEU  H       4.21            #peak   303 #SUP  0.91  #QF  0.91
 14 LEU  H      14 LEU  HB2     4.14            #peak   304 #SUP  0.90  #QF  0.90
 14 LEU  H      14 LEU  HB3     4.14            #peak   305 #SUP  0.92  #QF  0.92
 14 LEU  H      14 LEU  HG      3.90            #peak   306 #SUP  0.87  #QF  0.87
 11 ASP  HA     14 LEU  H       4.47            #peak   309 #SUP  0.82  #QF  0.82
  8 TRP  HH2    31 LYS  H       4.58            #peak   313 #SUP  0.92  #QF  0.92
 23 LYS  HA     31 LYS  H       3.08            #peak   314 #SUP  0.78  #QF  0.78
 30 PRO  HA     31 LYS  H       2.60            #peak   315 #SUP  0.76  #QF  0.76
 30 PRO  HB2    31 LYS  H       4.42            #peak   318 #SUP  0.92  #QF  0.92
 30 PRO  HB3    31 LYS  H       4.42            #peak   319 #SUP  0.89  #QF  0.89
 23 LYS  HB2    31 LYS  H       4.61            #peak   320 #SUP  0.98  #QF  0.98
 23 LYS  HB3    31 LYS  H       4.35            #peak   321 #SUP  0.64  #QF  0.64
 31 LYS  H      31 LYS  HB3     3.11            #peak   322 #SUP  0.83  #QF  0.83
 31 LYS  H      31 LYS  HB2     2.98            #peak   323 #SUP  0.83  #QF  0.83
 10 CYS- HA     17 ASN  QD2     4.96            #peak   329 #SUP  0.72  #QF  0.43
 17 ASN  HA     17 ASN  QD2     5.18            #peak   329 #SUP  0.72  #QF  0.43
 17 ASN  QD2    24 CYS- HA      3.86            #peak   330 #SUP  0.86  #QF  0.86
 17 ASN  QD2    24 CYS- HB2     4.48            #peak   331 #SUP  0.53  #QF  0.53
 10 CYS- HB2    17 ASN  QD2     3.99            #peak   334 #SUP  0.79  #QF  0.79
  8 TRP  H       8 TRP  HD1     3.54            #peak     2 #SUP  0.78  #QF  0.78
  8 TRP  HD1    19 PRO  HA      3.22            #peak     5 #SUP  0.86  #QF  0.86
  8 TRP  HB3     8 TRP  HD1     3.43            #peak     7 #SUP  0.79  #QF  0.79
  8 TRP  HH2    24 CYS- HB2     3.83            #peak    18 #SUP  0.94  #QF  0.94
  8 TRP  HH2    21 ALA  QB      4.25            #peak    19 #SUP  0.82  #QF  0.82
  8 TRP  HZ3    10 CYS- HA      3.90            #peak    23 #SUP  0.81  #QF  0.81
  8 TRP  HB2     8 TRP  HZ3     5.29            #peak    24 #SUP  0.91  #QF  0.86
  8 TRP  HZ3    24 CYS- HB3     5.50            #peak    24 #SUP  0.91  #QF  0.86
  8 TRP  HZ2    24 CYS- HA      4.21            #peak    30 #SUP  0.80  #QF  0.80
  8 TRP  HZ2    21 ALA  QB      3.15            #peak    31 #SUP  0.86  #QF  0.86
  8 TRP  HZ2    31 LYS  HB2     3.63            #peak    32 #SUP  0.80  #QF  0.80
  8 TRP  HZ2    22 ILE  H       4.74            #peak    33 #SUP  0.94  #QF  0.92
  8 TRP  HZ2    24 CYS- H       5.21            #peak    33 #SUP  0.94  #QF  0.92
  8 TRP  HZ2    31 LYS  HG3     4.52            #peak    35 #SUP  0.83  #QF  0.83
  1 GLY  QA      2 HIS  QB      4.19            #peak   929
  3 MET  QB     18 LYS  HB2     3.72            #peak   526
  4 VAL  QQG     5 ILE  H       4.73            #peak   175
  4 VAL  QQG    19 PRO  HG2     4.04            #peak   652
  4 VAL  QQG    19 PRO  HG3     4.27            #peak   683
  5 ILE  H       5 ILE  QG1     4.39            #peak   174
  5 ILE  HA      5 ILE  QG1     3.65            #peak   230
  8 TRP  HD1    31 LYS  QE      4.39            #peak     8
  8 TRP  HE1    31 LYS  QD      4.67            #peak    12
  8 TRP  HE1    31 LYS  QE      4.44            #peak     9
 10 CYS- HB3    15 VAL  QQG     4.44            #peak   609
 11 ASP  H      11 ASP  QB      2.95            #peak    74
 11 ASP  HA     14 LEU  QQD     3.87            #peak   101
 11 ASP  QB     12 THR  H       4.48            #peak    16
 12 THR  QG2    13 CYS- QB      3.65            #peak   568
 13 CYS- H      13 CYS- QB      3.48            #peak   108
 13 CYS- HA     14 LEU  QQD     4.00            #peak   915
 14 LEU  H      14 LEU  QQD     3.47            #peak   307
 14 LEU  HA     14 LEU  QQD     3.18            #peak   860
 14 LEU  QB     14 LEU  QQD     2.83            #peak   879
 15 VAL  H      15 VAL  QQG     3.41            #peak   871
 15 VAL  HA     15 VAL  QQG     2.87            #peak   872
 15 VAL  QQG    16 GLN  H       3.20            #peak   215
 15 VAL  QQG    16 GLN  HB2     4.73            #peak   689
 15 VAL  QQG    17 ASN  QD2     4.57            #peak   332
 15 VAL  QQG    25 VAL  H       4.79            #peak    87
 15 VAL  QQG    25 VAL  QQG     3.87            #peak   834
 15 VAL  QQG    26 ALA  H       4.45            #peak    46
 15 VAL  QQG    26 ALA  QB      2.94            #peak   790
 16 GLN  H      16 GLN  QG      4.15            #peak   211
 16 GLN  HA     16 GLN  QG      3.55            #peak   148
 16 GLN  QG     17 ASN  H       4.07            #peak    34
 18 LYS  HB2    18 LYS  QD      3.57            #peak   521
 18 LYS  QD     19 PRO  HG2     4.91            #peak   647
 22 ILE  H      22 ILE  QG1     3.96            #peak   126
 22 ILE  HA     31 LYS  QD      4.11            #peak   177
 22 ILE  QG2    22 ILE  QG1     3.33            #peak   845
 22 ILE  QG2    23 LYS  QG      4.35            #peak   767
 23 LYS  H      23 LYS  QG      3.28            #peak   269
 23 LYS  QG     24 CYS- H       4.74            #peak   150
 23 LYS  QG     28 GLU  HA      4.31            #peak   768
 23 LYS  QG     28 GLU  HB3     4.50            #peak   645
 24 CYS- HA     25 VAL  QQG     4.40            #peak   236
 25 VAL  H      25 VAL  QQG     3.00            #peak    86
 25 VAL  HA     25 VAL  QQG     2.76            #peak   256
 25 VAL  QQG    26 ALA  H       3.40            #peak   829
 28 GLU  H      28 GLU  QG      3.70            #peak   283
 28 GLU  HA     28 GLU  QG      3.25            #peak   249
 28 GLU  QG     29 THR  H       4.66            #peak   123
 29 THR  HA     30 PRO  QD      2.65            #peak   157
 29 THR  QG2    30 PRO  QD      3.27            #peak   795
 30 PRO  QB     31 LYS  H       3.72            #peak   318
 30 PRO  QD     31 LYS  H       4.96            #peak   316
 31 LYS  HA     32 PRO  QD      2.71            #peak   258
 31 LYS  HB2    31 LYS  QE      4.24            #peak   366
 31 LYS  HB2    32 PRO  QD      4.29            #peak   325
 31 LYS  HG2    31 LYS  QE      3.59            #peak   360
 31 LYS  HG2    32 PRO  QD      3.56            #peak   323
 31 LYS  HG3    32 PRO  QD      3.46            #peak   324

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   0          1H        GLY   0 -13.300   7.060   1.470
    2   1HA   GLY   0          1HA       GLY   0 -12.342   6.938   4.263
    3   2HA   GLY   0          2HA       GLY   0 -13.171   8.345   3.618
    4    H    HIS   1           H        HIS   1 -14.422   5.486   2.354
    5    HA   HIS   1           HA       HIS   1 -16.371   5.124   4.493
    6   1HB   HIS   1          1HB       HIS   1 -17.234   6.882   2.889
    7   2HB   HIS   1          2HB       HIS   1 -17.276   5.626   1.656
    8    HD1  HIS   1           HD1      HIS   1 -19.753   5.378   1.359
    9    HD2  HIS   1           HD2      HIS   1 -18.597   5.158   5.343
   10    HE1  HIS   1           HE1      HIS   1 -21.815   4.685   2.620
   11    H    MET   2           H        MET   2 -16.642   3.025   4.835
   12    HA   MET   2           HA       MET   2 -16.362   0.765   4.569
   13   1HB   MET   2          1HB       MET   2 -17.734  -0.167   2.757
   14   2HB   MET   2          2HB       MET   2 -18.574   1.123   3.607
   15   1HG   MET   2          1HG       MET   2 -18.055   2.672   1.814
   16   2HG   MET   2          2HG       MET   2 -17.150   1.417   0.972
   17   1HE   MET   2          1HE       MET   2 -18.420  -0.865  -0.058
   18   2HE   MET   2          2HE       MET   2 -19.616  -0.226  -1.185
   19   3HE   MET   2          3HE       MET   2 -18.051   0.570  -1.014
   20    H    VAL   3           H        VAL   3 -14.037   2.061   3.847
   21    HA   VAL   3           HA       VAL   3 -13.122   0.458   1.548
   22    HB   VAL   3           HB       VAL   3 -13.184   3.044   1.302
   23   1HG1  VAL   3          1HG1      VAL   3 -10.467   3.123   2.402
   24   2HG1  VAL   3          2HG1      VAL   3 -11.756   4.325   2.470
   25   3HG1  VAL   3          3HG1      VAL   3 -11.745   2.977   3.608
   26   1HG2  VAL   3          1HG2      VAL   3 -11.264   1.036   0.434
   27   2HG2  VAL   3          2HG2      VAL   3 -12.100   2.279  -0.496
   28   3HG2  VAL   3          3HG2      VAL   3 -10.619   2.675   0.374
   29    H    ILE   4           H        ILE   4 -13.117   0.245   4.653
   30    HA   ILE   4           HA       ILE   4 -10.560   0.383   5.674
   31    HB   ILE   4           HB       ILE   4 -11.205  -1.174   7.345
   32   1HG1  ILE   4          1HG1      ILE   4 -11.945  -3.033   6.016
   33   2HG1  ILE   4          2HG1      ILE   4 -13.272  -2.578   7.079
   34   1HG2  ILE   4          1HG2      ILE   4 -12.976   0.903   6.482
   35   2HG2  ILE   4          2HG2      ILE   4 -13.902  -0.392   7.237
   36   3HG2  ILE   4          3HG2      ILE   4 -12.586   0.381   8.121
   37   1HD1  ILE   4          1HD1      ILE   4 -14.222  -1.275   5.157
   38   2HD1  ILE   4          2HD1      ILE   4 -12.995  -2.033   4.141
   39   3HD1  ILE   4          3HD1      ILE   4 -14.202  -3.027   4.957
   40    H    GLY   5           H        GLY   5  -9.434  -1.841   6.422
   41   1HA   GLY   5          1HA       GLY   5  -8.765  -4.042   5.634
   42   2HA   GLY   5          2HA       GLY   5  -9.050  -3.476   3.995
   43    H    THR   6           H        THR   6  -7.665  -0.925   5.434
   44    HA   THR   6           HA       THR   6  -5.319  -0.910   4.039
   45    HB   THR   6           HB       THR   6  -4.420   0.659   5.755
   46    HG1  THR   6           1HG      THR   6  -5.987   1.185   7.467
   47   1HG2  THR   6          1HG2      THR   6  -5.579   2.109   4.517
   48   2HG2  THR   6          2HG2      THR   6  -6.906   1.940   5.665
   49   3HG2  THR   6          3HG2      THR   6  -6.850   0.923   4.225
   50    H    TRP   7           H        TRP   7  -3.260  -1.651   4.292
   51    HA   TRP   7           HA       TRP   7  -2.864  -3.651   6.410
   52   1HB   TRP   7          1HB       TRP   7  -0.913  -4.348   4.866
   53   2HB   TRP   7          2HB       TRP   7  -2.556  -4.718   4.348
   54    HD1  TRP   7           1HD      TRP   7  -3.621  -2.819   2.543
   55    HE1  TRP   7           1HE      TRP   7  -2.419  -1.683   0.571
   56    HE3  TRP   7           3HE      TRP   7   1.220  -3.566   4.005
   57    HZ2  TRP   7           2HZ      TRP   7   0.231  -1.171  -0.255
   58    HZ3  TRP   7           3HZ      TRP   7   3.030  -2.722   2.568
   59    HH2  TRP   7           2HH      TRP   7   2.544  -1.551   0.482
   60    H    ASP   8           H        ASP   8  -1.105  -3.589   7.756
   61    HA   ASP   8           HA       ASP   8   0.320  -1.036   7.845
   62   1HB   ASP   8          1HB       ASP   8   0.567  -3.145   9.959
   63   2HB   ASP   8          2HB       ASP   8   0.653  -1.393  10.118
   64    H    CYS   9           H        CYS   9   2.479  -0.838   7.582
   65    HA   CYS   9           HA       CYS   9   3.900  -2.867   6.225
   66   1HB   CYS   9          1HB       CYS   9   4.235  -0.276   6.239
   67   2HB   CYS   9          2HB       CYS   9   5.283  -0.598   7.616
   68    H    ASP  10           H        ASP  10   6.218  -3.443   7.023
   69    HA   ASP  10           HA       ASP  10   6.202  -4.095   9.882
   70   1HB   ASP  10          1HB       ASP  10   6.794  -6.094   7.688
   71   2HB   ASP  10          2HB       ASP  10   6.917  -6.395   9.420
   72    H    THR  11           H        THR  11   7.696  -2.406   7.710
   73    HA   THR  11           HA       THR  11  10.379  -3.046   8.737
   74    HB   THR  11           HB       THR  11   9.522  -3.084   5.989
   75    HG1  THR  11           1HG      THR  11  11.811  -3.793   5.829
   76   1HG2  THR  11          1HG2      THR  11  10.149  -0.731   5.933
   77   2HG2  THR  11          2HG2      THR  11  11.320  -1.698   5.036
   78   3HG2  THR  11          3HG3      THR  11  11.713  -1.113   6.652
   79    H    CYS  12           H        CYS  12   8.166  -0.617   7.476
   80    HA   CYS  12           HA       CYS  12   9.875   1.473   8.659
   81   1HB   CYS  12          1HB       CYS  12   9.350   2.924   6.952
   82   2HB   CYS  12          2HB       CYS  12   9.294   1.395   6.080
   83    H    LEU  13           H        LEU  13   7.008  -0.206   8.991
   84    HA   LEU  13           HA       LEU  13   5.191   0.028  10.337
   85   1HB   LEU  13          1HB       LEU  13   7.144   1.932  11.527
   86   2HB   LEU  13          2HB       LEU  13   5.474   1.979  12.089
   87    HG   LEU  13           HG       LEU  13   5.781  -0.551  12.508
   88   1HD1  LEU  13          1HD1      LEU  13   8.670   0.307  12.528
   89   2HD1  LEU  13          2HD1      LEU  13   7.929  -0.691  11.278
   90   3HD1  LEU  13          3HD1      LEU  13   8.027  -1.284  12.935
   91   1HD2  LEU  13          1HD2      LEU  13   7.310   0.294  14.614
   92   2HD2  LEU  13          2HD2      LEU  13   5.554   0.414  14.513
   93   3HD2  LEU  13          3HD2      LEU  13   6.560   1.793  14.067
   94    H    VAL  14           H        VAL  14   4.128   0.741   8.329
   95    HA   VAL  14           HA       VAL  14   2.816   3.287   8.760
   96    HB   VAL  14           HB       VAL  14   4.465   2.748   6.297
   97   1HG1  VAL  14          1HG1      VAL  14   2.640   3.542   5.203
   98   2HG1  VAL  14          2HG1      VAL  14   2.013   4.380   6.624
   99   3HG1  VAL  14          3HG1      VAL  14   3.337   5.085   5.695
  100   1HG2  VAL  14          1HG2      VAL  14   5.407   4.946   6.786
  101   2HG2  VAL  14          2HG2      VAL  14   4.342   5.102   8.182
  102   3HG2  VAL  14          3HG2      VAL  14   5.595   3.862   8.163
  103    H    GLN  15           H        GLN  15   0.723   3.177   8.212
  104    HA   GLN  15           HA       GLN  15  -0.276   0.719   7.069
  105   1HB   GLN  15          1HB       GLN  15  -1.740   3.181   8.034
  106   2HB   GLN  15          2HB       GLN  15  -2.502   1.668   7.560
  107   1HG   GLN  15          1HG       GLN  15  -0.956   0.638   9.383
  108   2HG   GLN  15          2HG       GLN  15  -0.883   2.295   9.982
  109   1HE2  GLN  15          2HE2      GLN  15  -2.222   2.561  11.606
  110   2HE2  GLN  15          1HE2      GLN  15  -3.818   1.912  11.734
  111    H    ASN  16           H        ASN  16  -1.628   0.582   5.226
  112    HA   ASN  16           HA       ASN  16  -1.742   2.882   3.444
  113   1HB   ASN  16          1HB       ASN  16  -0.754   0.343   2.225
  114   2HB   ASN  16          2HB       ASN  16  -0.493   2.008   1.713
  115   1HD2  ASN  16          2HD2      ASN  16   0.190  -0.033   4.538
  116   2HD2  ASN  16          1HD2      ASN  16   1.824   0.495   4.734
  117    H    LYS  17           H        LYS  17  -3.151   2.513   1.580
  118    HA   LYS  17           HA       LYS  17  -5.507   1.089   2.344
  119   1HB   LYS  17          1HB       LYS  17  -6.540   2.080   0.490
  120   2HB   LYS  17          2HB       LYS  17  -5.343   3.267   0.990
  121   1HG   LYS  17          1HG       LYS  17  -3.882   2.661  -0.789
  122   2HG   LYS  17          2HG       LYS  17  -4.876   1.262  -1.202
  123   1HD   LYS  17          1HD       LYS  17  -6.675   2.689  -1.923
  124   2HD   LYS  17          2HD       LYS  17  -5.819   4.124  -1.354
  125   1HE   LYS  17          1HE       LYS  17  -4.549   2.327  -3.378
  126   2HE   LYS  17          2HE       LYS  17  -5.774   3.490  -3.882
  127   1HZ   LYS  17          1HZ       LYS  17  -3.659   4.510  -4.113
  128   2HZ   LYS  17          2HZ       LYS  17  -3.189   4.071  -2.549
  129   3HZ   LYS  17          3HZ       LYS  17  -4.403   5.227  -2.774
  130    HA   PRO  18           HA       PRO  18  -4.762  -2.813   0.458
  131   1HB   PRO  18          1HB       PRO  18  -7.317  -3.583  -0.039
  132   2HB   PRO  18          2HB       PRO  18  -6.622  -3.554   1.587
  133   1HG   PRO  18          1HG       PRO  18  -8.393  -1.546   0.250
  134   2HG   PRO  18          2HG       PRO  18  -8.461  -2.168   1.909
  135   1HD   PRO  18          1HD       PRO  18  -7.371   0.234   1.297
  136   2HD   PRO  18          2HD       PRO  18  -6.777  -0.770   2.635
  137    H    GLU  19           H        GLU  19  -6.144  -0.192  -1.205
  138    HA   GLU  19           HA       GLU  19  -6.471  -1.604  -3.720
  139   1HB   GLU  19          1HB       GLU  19  -6.555   1.380  -3.453
  140   2HB   GLU  19          2HB       GLU  19  -7.448   0.340  -4.553
  141   1HG   GLU  19          1HG       GLU  19  -7.923   0.702  -1.607
  142   2HG   GLU  19          2HG       GLU  19  -8.957   1.234  -2.930
  143    H    ALA  20           H        ALA  20  -3.924  -0.306  -2.027
  144    HA   ALA  20           HA       ALA  20  -2.456   0.690  -4.329
  145   1HB   ALA  20          1HB       ALA  20  -2.199   1.881  -2.244
  146   2HB   ALA  20          2HB       ALA  20  -1.658   0.410  -1.434
  147   3HB   ALA  20          3HB       ALA  20  -0.662   1.139  -2.694
  148    H    ILE  21           H        ILE  21  -0.104  -0.091  -4.505
  149    HA   ILE  21           HA       ILE  21  -0.124  -3.035  -4.461
  150    HB   ILE  21           HB       ILE  21   0.199  -1.457  -6.641
  151   1HG1  ILE  21          1HG1      ILE  21   1.218  -4.206  -5.983
  152   2HG1  ILE  21          2HG1      ILE  21  -0.186  -3.748  -6.942
  153   1HG2  ILE  21          1HG2      ILE  21   2.986  -2.141  -5.717
  154   2HG2  ILE  21          2HG2      ILE  21   2.546  -1.427  -7.268
  155   3HG2  ILE  21          3HG2      ILE  21   2.295  -0.519  -5.777
  156   1HD1  ILE  21          1HD1      ILE  21   1.542  -2.754  -8.574
  157   2HD1  ILE  21          2HD1      ILE  21   2.699  -3.768  -7.710
  158   3HD1  ILE  21          3HD1      ILE  21   1.317  -4.503  -8.524
  159    H    LYS  22           H        LYS  22   1.478  -0.214  -3.335
  160    HA   LYS  22           HA       LYS  22   3.368  -1.877  -1.862
  161   1HB   LYS  22          1HB       LYS  22   5.252  -0.363  -2.423
  162   2HB   LYS  22          2HB       LYS  22   4.650  -1.254  -3.815
  163   1HG   LYS  22          1HG       LYS  22   3.455   0.695  -4.594
  164   2HG   LYS  22          2HG       LYS  22   3.935   1.596  -3.153
  165   1HD   LYS  22          1HD       LYS  22   5.395   2.271  -4.899
  166   2HD   LYS  22          2HD       LYS  22   6.327   1.207  -3.845
  167   1HE   LYS  22          1HE       LYS  22   5.764  -0.669  -5.422
  168   2HE   LYS  22          2HE       LYS  22   5.095   0.543  -6.513
  169   1HZ   LYS  22          1HZ       LYS  22   7.294   0.163  -7.210
  170   2HZ   LYS  22          2HZ       LYS  22   7.908   0.243  -5.636
  171   3HZ   LYS  22          3HZ       LYS  22   7.338   1.645  -6.393
  172    H    CYS  23           H        CYS  23   4.783  -0.183  -0.463
  173    HA   CYS  23           HA       CYS  23   2.889   1.039   1.286
  174   1HB   CYS  23          1HB       CYS  23   5.243  -0.035   1.779
  175   2HB   CYS  23          2HB       CYS  23   5.824   1.598   1.473
  176    H    VAL  24           H        VAL  24   2.921   3.281   1.968
  177    HA   VAL  24           HA       VAL  24   3.488   5.084  -0.286
  178    HB   VAL  24           HB       VAL  24   1.106   4.818   0.694
  179   1HG1  VAL  24          1HG1      VAL  24   1.839   6.951   2.611
  180   2HG1  VAL  24          2HG1      VAL  24   0.582   5.716   2.710
  181   3HG1  VAL  24          3HG1      VAL  24   2.261   5.298   3.056
  182   1HG2  VAL  24          1HG2      VAL  24   2.410   7.504   0.279
  183   2HG2  VAL  24          2HG2      VAL  24   1.622   6.499  -0.938
  184   3HG2  VAL  24          2HG3      VAL  24   0.666   7.247   0.341
  185    H    ALA  25           H        ALA  25   5.257   4.135   2.031
  186    HA   ALA  25           HA       ALA  25   6.214   6.818   2.745
  187   1HB   ALA  25          1HB       ALA  25   6.874   5.456   4.983
  188   2HB   ALA  25          2HB       ALA  25   5.419   6.439   4.815
  189   3HB   ALA  25          3HB       ALA  25   5.336   4.693   4.578
  190    H    CYS  26           H        CYS  26   6.936   3.349   2.608
  191    HA   CYS  26           HA       CYS  26   9.774   4.027   2.195
  192   1HB   CYS  26          1HB       CYS  26  10.383   1.940   3.136
  193   2HB   CYS  26          2HB       CYS  26   9.142   2.591   4.201
  194    H    GLU  27           H        GLU  27   6.990   2.907   0.684
  195    HA   GLU  27           HA       GLU  27   6.576   2.140  -1.419
  196   1HB   GLU  27          1HB       GLU  27   9.512   2.304  -2.040
  197   2HB   GLU  27          2HB       GLU  27   8.147   2.509  -3.129
  198   1HG   GLU  27          1HG       GLU  27   7.792   4.671  -2.508
  199   2HG   GLU  27          2HG       GLU  27   8.442   4.430  -0.887
  200    H    THR  28           H        THR  28   6.772   0.254   0.513
  201    HA   THR  28           HA       THR  28   8.541  -1.868  -0.385
  202    HB   THR  28           HB       THR  28   7.006  -1.311   2.033
  203    HG1  THR  28           1HG      THR  28   9.161  -3.106   1.521
  204   1HG2  THR  28          1HG2      THR  28   6.611  -3.677   2.614
  205   2HG2  THR  28          2HG2      THR  28   7.044  -4.137   0.968
  206   3HG2  THR  28          3HG2      THR  28   5.614  -3.147   1.260
  207    HA   PRO  29           HA       PRO  29   5.627  -3.862  -3.011
  208   1HB   PRO  29          1HB       PRO  29   6.582  -6.400  -2.886
  209   2HB   PRO  29          2HB       PRO  29   7.395  -5.110  -3.780
  210   1HG   PRO  29          1HG       PRO  29   7.989  -6.190  -1.052
  211   2HG   PRO  29          2HG       PRO  29   9.113  -5.762  -2.355
  212   1HD   PRO  29          1HD       PRO  29   8.639  -4.132  -0.245
  213   2HD   PRO  29          2HD       PRO  29   9.022  -3.512  -1.864
  214    H    LYS  30           H        LYS  30   3.592  -4.057  -2.284
  215    HA   LYS  30           HA       LYS  30   2.740  -5.053   0.151
  216   1HB   LYS  30          1HB       LYS  30   1.231  -3.774  -1.190
  217   2HB   LYS  30          2HB       LYS  30   1.332  -4.925  -2.515
  218   1HG   LYS  30          1HG       LYS  30   0.376  -6.584  -0.715
  219   2HG   LYS  30          2HG       LYS  30  -0.192  -5.089   0.031
  220   1HD   LYS  30          1HD       LYS  30  -0.669  -5.307  -2.864
  221   2HD   LYS  30          2HD       LYS  30  -1.552  -6.467  -1.869
  222   1HE   LYS  30          1HE       LYS  30  -2.384  -4.592  -0.491
  223   2HE   LYS  30          2HE       LYS  30  -1.560  -3.465  -1.567
  224   1HZ   LYS  30          1HZ       LYS  30  -3.545  -3.451  -2.590
  225   2HZ   LYS  30          2HZ       LYS  30  -4.015  -4.953  -1.975
  226   3HZ   LYS  30          3HZ       LYS  30  -2.987  -4.874  -3.316
  227    HA   PRO  31           HA       PRO  31   3.248  -9.420  -0.093
  228   1HB   PRO  31          1HB       PRO  31   1.407 -10.167   1.757
  229   2HB   PRO  31          2HB       PRO  31   2.955  -9.429   2.185
  230   1HG   PRO  31          1HG       PRO  31   0.249  -8.167   1.974
  231   2HG   PRO  31          2HG       PRO  31   1.496  -7.938   3.213
  232   1HD   PRO  31          1HD       PRO  31   1.105  -6.174   1.197
  233   2HD   PRO  31          2HD       PRO  31   2.705  -6.474   1.906
  Start of MODEL    2
    1   1H    GLY   0          1H        GLY   0 -17.114   7.238   2.602
    2   1HA   GLY   0          1HA       GLY   0 -16.915   9.822   3.904
    3   2HA   GLY   0          2HA       GLY   0 -17.076   8.455   4.996
    4    H    HIS   1           H        HIS   1 -15.519   6.559   4.280
    5    HA   HIS   1           HA       HIS   1 -12.876   7.755   3.761
    6   1HB   HIS   1          1HB       HIS   1 -13.731   5.755   5.829
    7   2HB   HIS   1          2HB       HIS   1 -12.069   5.768   5.245
    8    HD1  HIS   1           HD1      HIS   1 -14.422   8.567   6.329
    9    HD2  HIS   1           HD2      HIS   1 -10.598   7.116   7.054
   10    HE1  HIS   1           HE1      HIS   1 -13.403  10.158   7.989
   11    H    MET   2           H        MET   2 -11.719   6.868   2.167
   12    HA   MET   2           HA       MET   2 -12.848   4.647   0.698
   13   1HB   MET   2          1HB       MET   2 -10.643   6.611   0.222
   14   2HB   MET   2          2HB       MET   2 -10.685   5.126  -0.718
   15   1HG   MET   2          1HG       MET   2 -12.866   7.194  -0.562
   16   2HG   MET   2          2HG       MET   2 -11.758   6.941  -1.909
   17   1HE   MET   2          1HE       MET   2 -11.703   4.077  -2.955
   18   2HE   MET   2          2HE       MET   2 -13.171   4.191  -3.926
   19   3HE   MET   2          3HE       MET   2 -12.111   5.591  -3.761
   20    H    VAL   3           H        VAL   3 -12.369   3.385   2.837
   21    HA   VAL   3           HA       VAL   3  -9.895   1.890   2.356
   22    HB   VAL   3           HB       VAL   3 -10.706   3.168   4.942
   23   1HG1  VAL   3          1HG1      VAL   3  -9.154   0.614   4.601
   24   2HG1  VAL   3          2HG1      VAL   3  -9.000   1.638   6.030
   25   3HG1  VAL   3          3HG1      VAL   3 -10.557   0.915   5.627
   26   1HG2  VAL   3          1HG2      VAL   3  -8.141   3.426   4.989
   27   2HG2  VAL   3          2HG2      VAL   3  -8.214   2.976   3.286
   28   3HG2  VAL   3          3HG2      VAL   3  -9.063   4.413   3.855
   29    H    ILE   4           H        ILE   4 -10.130  -0.268   2.504
   30    HA   ILE   4           HA       ILE   4 -12.622  -1.302   3.688
   31    HB   ILE   4           HB       ILE   4 -11.277  -2.416   1.226
   32   1HG1  ILE   4          1HG1      ILE   4 -12.361  -0.156   0.918
   33   2HG1  ILE   4          2HG1      ILE   4 -13.025  -1.443  -0.082
   34   1HG2  ILE   4          1HG2      ILE   4 -13.220  -3.465   3.041
   35   2HG2  ILE   4          2HG2      ILE   4 -13.959  -3.239   1.457
   36   3HG2  ILE   4          3HG2      ILE   4 -12.504  -4.222   1.619
   37   1HD1  ILE   4          1HD1      ILE   4 -15.031  -0.913   0.671
   38   2HD1  ILE   4          2HD1      ILE   4 -14.532  -1.433   2.280
   39   3HD1  ILE   4          3HD1      ILE   4 -14.342   0.253   1.800
   40    H    GLY   5           H        GLY   5  -9.246  -1.402   3.594
   41   1HA   GLY   5          1HA       GLY   5  -8.965  -3.161   5.723
   42   2HA   GLY   5          2HA       GLY   5  -8.789  -4.122   4.261
   43    H    THR   6           H        THR   6  -7.630  -1.008   5.560
   44    HA   THR   6           HA       THR   6  -5.292  -0.880   4.038
   45    HB   THR   6           HB       THR   6  -4.440   0.670   5.805
   46    HG1  THR   6           1HG      THR   6  -5.666  -0.514   7.516
   47   1HG2  THR   6          1HG2      THR   6  -6.898   1.969   5.657
   48   2HG2  THR   6          2HG2      THR   6  -6.854   0.939   4.227
   49   3HG2  THR   6          3HG2      THR   6  -5.562   2.105   4.514
   50    H    TRP   7           H        TRP   7  -3.267  -1.677   4.267
   51    HA   TRP   7           HA       TRP   7  -2.867  -3.649   6.408
   52   1HB   TRP   7          1HB       TRP   7  -0.922  -4.360   4.853
   53   2HB   TRP   7          2HB       TRP   7  -2.570  -4.750   4.369
   54    HD1  TRP   7           1HD      TRP   7  -3.674  -2.957   2.512
   55    HE1  TRP   7           1HE      TRP   7  -2.514  -1.821   0.516
   56    HE3  TRP   7           3HE      TRP   7   1.189  -3.487   3.995
   57    HZ2  TRP   7           2HZ      TRP   7   0.117  -1.228  -0.319
   58    HZ3  TRP   7           3HZ      TRP   7   2.968  -2.609   2.539
   59    HH2  TRP   7           2HH      TRP   7   2.441  -1.504   0.427
   60    H    ASP   8           H        ASP   8  -1.154  -3.538   7.786
   61    HA   ASP   8           HA       ASP   8   0.312  -1.011   7.813
   62   1HB   ASP   8          1HB       ASP   8   0.514  -3.087   9.968
   63   2HB   ASP   8          2HB       ASP   8   0.651  -1.335  10.095
   64    H    CYS   9           H        CYS   9   2.444  -0.839   7.450
   65    HA   CYS   9           HA       CYS   9   3.860  -2.857   6.134
   66   1HB   CYS   9          1HB       CYS   9   4.260  -0.267   6.286
   67   2HB   CYS   9          2HB       CYS   9   5.306  -0.704   7.634
   68    H    ASP  10           H        ASP  10   6.176  -3.480   6.970
   69    HA   ASP  10           HA       ASP  10   6.028  -4.315   9.781
   70   1HB   ASP  10          1HB       ASP  10   5.290  -6.226   8.454
   71   2HB   ASP  10          2HB       ASP  10   6.734  -6.111   7.452
   72    H    THR  11           H        THR  11   7.628  -2.517   7.700
   73    HA   THR  11           HA       THR  11  10.249  -3.125   8.901
   74    HB   THR  11           HB       THR  11   9.579  -2.537   6.044
   75    HG1  THR  11           1HG      THR  11  10.314  -4.648   7.245
   76   1HG2  THR  11          1HG2      THR  11  11.114  -0.862   6.106
   77   2HG2  THR  11          2HG2      THR  11  12.241  -2.213   5.988
   78   3HG2  THR  11          3HG3      THR  11  11.897  -1.486   7.557
   79    H    CYS  12           H        CYS  12   8.458  -0.583   7.150
   80    HA   CYS  12           HA       CYS  12   9.955   1.462   8.594
   81   1HB   CYS  12          1HB       CYS  12   9.328   2.947   6.948
   82   2HB   CYS  12          2HB       CYS  12   9.296   1.439   6.039
   83    H    LEU  13           H        LEU  13   6.928  -0.139   8.690
   84    HA   LEU  13           HA       LEU  13   5.214  -0.020  10.189
   85   1HB   LEU  13          1HB       LEU  13   6.461   2.345  11.523
   86   2HB   LEU  13          2HB       LEU  13   5.481   1.059  12.224
   87    HG   LEU  13           HG       LEU  13   8.392   0.992  11.475
   88   1HD1  LEU  13          1HD1      LEU  13   8.787   1.006  13.677
   89   2HD1  LEU  13          2HD1      LEU  13   7.456  -0.096  14.023
   90   3HD1  LEU  13          3HD1      LEU  13   7.141   1.627  13.814
   91   1HD2  LEU  13          1HD2      LEU  13   8.098  -1.123  10.820
   92   2HD2  LEU  13          2HD2      LEU  13   6.452  -1.186  11.453
   93   3HD2  LEU  13          3HD2      LEU  13   7.822  -1.477  12.526
   94    H    VAL  14           H        VAL  14   4.210   0.778   8.133
   95    HA   VAL  14           HA       VAL  14   2.864   3.302   8.677
   96    HB   VAL  14           HB       VAL  14   4.370   2.779   6.114
   97   1HG1  VAL  14          1HG1      VAL  14   2.636   3.807   5.127
   98   2HG1  VAL  14          2HG1      VAL  14   2.003   4.424   6.654
   99   3HG1  VAL  14          3HG1      VAL  14   3.318   5.270   5.838
  100   1HG2  VAL  14          1HG2      VAL  14   4.535   5.181   7.913
  101   2HG2  VAL  14          2HG2      VAL  14   5.555   3.761   8.141
  102   3HG2  VAL  14          3HG2      VAL  14   5.651   4.683   6.641
  103    H    GLN  15           H        GLN  15   0.759   3.222   8.162
  104    HA   GLN  15           HA       GLN  15  -0.298   0.772   7.065
  105   1HB   GLN  15          1HB       GLN  15  -1.758   3.276   7.921
  106   2HB   GLN  15          2HB       GLN  15  -2.484   1.707   7.603
  107   1HG   GLN  15          1HG       GLN  15  -2.362   1.787   9.910
  108   2HG   GLN  15          2HG       GLN  15  -0.943   0.843   9.462
  109   1HE2  GLN  15          2HE2      GLN  15  -0.227   1.467  11.621
  110   2HE2  GLN  15          1HE2      GLN  15   0.570   2.987  11.827
  111    H    ASN  16           H        ASN  16  -1.560   0.570   5.199
  112    HA   ASN  16           HA       ASN  16  -1.698   2.848   3.381
  113   1HB   ASN  16          1HB       ASN  16  -0.722   0.280   2.214
  114   2HB   ASN  16          2HB       ASN  16  -0.452   1.932   1.670
  115   1HD2  ASN  16          2HD2      ASN  16   0.280  -0.192   4.412
  116   2HD2  ASN  16          1HD2      ASN  16   1.892   0.383   4.647
  117    H    LYS  17           H        LYS  17  -3.162   2.511   1.591
  118    HA   LYS  17           HA       LYS  17  -5.495   1.069   2.369
  119   1HB   LYS  17          1HB       LYS  17  -6.551   2.059   0.525
  120   2HB   LYS  17          2HB       LYS  17  -5.356   3.250   1.020
  121   1HG   LYS  17          1HG       LYS  17  -3.903   2.642  -0.772
  122   2HG   LYS  17          2HG       LYS  17  -4.914   1.258  -1.191
  123   1HD   LYS  17          1HD       LYS  17  -6.706   2.709  -1.879
  124   2HD   LYS  17          2HD       LYS  17  -5.829   4.130  -1.306
  125   1HE   LYS  17          1HE       LYS  17  -4.738   2.303  -3.431
  126   2HE   LYS  17          2HE       LYS  17  -5.780   3.674  -3.809
  127   1HZ   LYS  17          1HZ       LYS  17  -3.016   3.664  -3.295
  128   2HZ   LYS  17          2HZ       LYS  17  -3.781   4.593  -2.107
  129   3HZ   LYS  17          3HZ       LYS  17  -4.001   4.964  -3.743
  130    HA   PRO  18           HA       PRO  18  -4.779  -2.828   0.463
  131   1HB   PRO  18          1HB       PRO  18  -7.340  -3.587  -0.025
  132   2HB   PRO  18          2HB       PRO  18  -6.636  -3.565   1.596
  133   1HG   PRO  18          1HG       PRO  18  -8.407  -1.546   0.274
  134   2HG   PRO  18          2HG       PRO  18  -8.469  -2.173   1.931
  135   1HD   PRO  18          1HD       PRO  18  -7.374   0.227   1.321
  136   2HD   PRO  18          2HD       PRO  18  -6.778  -0.784   2.654
  137    H    GLU  19           H        GLU  19  -6.149  -0.196  -1.187
  138    HA   GLU  19           HA       GLU  19  -6.496  -1.598  -3.705
  139   1HB   GLU  19          1HB       GLU  19  -6.570   1.385  -3.413
  140   2HB   GLU  19          2HB       GLU  19  -7.456   0.360  -4.534
  141   1HG   GLU  19          1HG       GLU  19  -7.942   0.503  -1.567
  142   2HG   GLU  19          2HG       GLU  19  -8.885   1.343  -2.796
  143    H    ALA  20           H        ALA  20  -3.936  -0.313  -2.018
  144    HA   ALA  20           HA       ALA  20  -2.475   0.681  -4.323
  145   1HB   ALA  20          1HB       ALA  20  -0.673   1.122  -2.694
  146   2HB   ALA  20          2HB       ALA  20  -2.205   1.868  -2.238
  147   3HB   ALA  20          3HB       ALA  20  -1.666   0.394  -1.433
  148    H    ILE  21           H        ILE  21  -0.096  -0.104  -4.444
  149    HA   ILE  21           HA       ILE  21  -0.130  -3.051  -4.410
  150    HB   ILE  21           HB       ILE  21  -0.007  -2.394  -6.670
  151   1HG1  ILE  21          1HG1      ILE  21   2.265  -3.090  -7.362
  152   2HG1  ILE  21          2HG1      ILE  21   2.820  -2.884  -5.705
  153   1HG2  ILE  21          1HG2      ILE  21   0.452  -0.195  -6.903
  154   2HG2  ILE  21          2HG2      ILE  21   1.651  -0.196  -5.610
  155   3HG2  ILE  21          3HG2      ILE  21   2.081  -0.796  -7.212
  156   1HD1  ILE  21          1HD1      ILE  21   2.435  -5.209  -6.147
  157   2HD1  ILE  21          2HD1      ILE  21   1.228  -4.630  -4.999
  158   3HD1  ILE  21          3HD1      ILE  21   0.792  -4.873  -6.690
  159    H    LYS  22           H        LYS  22   1.454  -0.227  -3.293
  160    HA   LYS  22           HA       LYS  22   3.363  -1.863  -1.825
  161   1HB   LYS  22          1HB       LYS  22   5.237  -0.308  -2.441
  162   2HB   LYS  22          2HB       LYS  22   4.682  -1.344  -3.749
  163   1HG   LYS  22          1HG       LYS  22   3.260   0.602  -4.512
  164   2HG   LYS  22          2HG       LYS  22   4.162   1.589  -3.359
  165   1HD   LYS  22          1HD       LYS  22   6.245   1.033  -4.481
  166   2HD   LYS  22          2HD       LYS  22   5.382  -0.028  -5.598
  167   1HE   LYS  22          1HE       LYS  22   4.626   2.859  -5.348
  168   2HE   LYS  22          2HE       LYS  22   6.001   2.380  -6.343
  169   1HZ   LYS  22          1HZ       LYS  22   3.447   2.472  -7.187
  170   2HZ   LYS  22          2HZ       LYS  22   3.613   0.833  -6.806
  171   3HZ   LYS  22          3HZ       LYS  22   4.667   1.553  -7.914
  172    H    CYS  23           H        CYS  23   4.758  -0.253  -0.402
  173    HA   CYS  23           HA       CYS  23   2.904   1.086   1.284
  174   1HB   CYS  23          1HB       CYS  23   5.231  -0.042   1.806
  175   2HB   CYS  23          2HB       CYS  23   5.847   1.577   1.488
  176    H    VAL  24           H        VAL  24   2.858   3.318   1.849
  177    HA   VAL  24           HA       VAL  24   3.570   5.067  -0.402
  178    HB   VAL  24           HB       VAL  24   1.148   4.858   0.473
  179   1HG1  VAL  24          1HG1      VAL  24   0.527   6.102   2.371
  180   2HG1  VAL  24          2HG1      VAL  24   1.933   5.161   2.875
  181   3HG1  VAL  24          3HG1      VAL  24   2.109   6.872   2.485
  182   1HG2  VAL  24          1HG2      VAL  24   2.510   6.832  -0.844
  183   2HG2  VAL  24          2HG2      VAL  24   0.761   6.772  -0.625
  184   3HG2  VAL  24          2HG3      VAL  24   1.758   7.716   0.483
  185    H    ALA  25           H        ALA  25   5.246   4.152   1.986
  186    HA   ALA  25           HA       ALA  25   6.179   6.842   2.712
  187   1HB   ALA  25          1HB       ALA  25   6.752   5.810   4.996
  188   2HB   ALA  25          2HB       ALA  25   5.076   6.260   4.678
  189   3HB   ALA  25          3HB       ALA  25   5.572   4.571   4.570
  190    H    CYS  26           H        CYS  26   6.941   3.374   2.653
  191    HA   CYS  26           HA       CYS  26   9.779   4.072   2.300
  192   1HB   CYS  26          1HB       CYS  26  10.370   1.983   3.244
  193   2HB   CYS  26          2HB       CYS  26   9.084   2.610   4.270
  194    H    GLU  27           H        GLU  27   7.036   2.860   0.731
  195    HA   GLU  27           HA       GLU  27   6.701   2.156  -1.412
  196   1HB   GLU  27          1HB       GLU  27   9.611   2.182  -2.058
  197   2HB   GLU  27          2HB       GLU  27   8.240   2.674  -3.042
  198   1HG   GLU  27          1HG       GLU  27   8.048   4.571  -1.230
  199   2HG   GLU  27          2HG       GLU  27   9.756   4.203  -0.997
  200    H    THR  28           H        THR  28   6.799   0.258   0.507
  201    HA   THR  28           HA       THR  28   8.576  -1.878  -0.364
  202    HB   THR  28           HB       THR  28   7.023  -1.311   2.046
  203    HG1  THR  28           1HG      THR  28   8.763  -2.987   2.694
  204   1HG2  THR  28          1HG2      THR  28   5.616  -3.114   1.495
  205   2HG2  THR  28          2HG2      THR  28   6.833  -3.811   2.564
  206   3HG2  THR  28          3HG2      THR  28   6.945  -4.055   0.821
  207    HA   PRO  29           HA       PRO  29   5.641  -3.833  -2.999
  208   1HB   PRO  29          1HB       PRO  29   6.579  -6.377  -2.890
  209   2HB   PRO  29          2HB       PRO  29   7.399  -5.089  -3.779
  210   1HG   PRO  29          1HG       PRO  29   7.992  -6.186  -1.058
  211   2HG   PRO  29          2HG       PRO  29   9.116  -5.760  -2.361
  212   1HD   PRO  29          1HD       PRO  29   8.659  -4.137  -0.242
  213   2HD   PRO  29          2HD       PRO  29   9.042  -3.511  -1.858
  214    H    LYS  30           H        LYS  30   3.600  -4.089  -2.337
  215    HA   LYS  30           HA       LYS  30   2.770  -5.106   0.125
  216   1HB   LYS  30          1HB       LYS  30   1.275  -3.736  -1.145
  217   2HB   LYS  30          2HB       LYS  30   1.318  -4.846  -2.509
  218   1HG   LYS  30          1HG       LYS  30   0.366  -6.524  -0.694
  219   2HG   LYS  30          2HG       LYS  30  -0.193  -5.017   0.034
  220   1HD   LYS  30          1HD       LYS  30  -0.658  -5.242  -2.859
  221   2HD   LYS  30          2HD       LYS  30  -1.542  -6.408  -1.872
  222   1HE   LYS  30          1HE       LYS  30  -2.352  -4.513  -0.477
  223   2HE   LYS  30          2HE       LYS  30  -1.576  -3.403  -1.606
  224   1HZ   LYS  30          1HZ       LYS  30  -3.578  -3.447  -2.588
  225   2HZ   LYS  30          2HZ       LYS  30  -4.024  -4.925  -1.896
  226   3HZ   LYS  30          3HZ       LYS  30  -3.034  -4.898  -3.268
  227    HA   PRO  31           HA       PRO  31   3.167  -9.471  -0.301
  228   1HB   PRO  31          1HB       PRO  31   1.343 -10.248   1.553
  229   2HB   PRO  31          2HB       PRO  31   2.916  -9.564   1.980
  230   1HG   PRO  31          1HG       PRO  31   0.239  -8.230   1.872
  231   2HG   PRO  31          2HG       PRO  31   1.514  -8.081   3.095
  232   1HD   PRO  31          1HD       PRO  31   1.128  -6.229   1.158
  233   2HD   PRO  31          2HD       PRO  31   2.733  -6.595   1.823
  Start of MODEL    3
    1   1H    GLY   0          1H        GLY   0 -20.982   3.538   3.893
    2   1HA   GLY   0          1HA       GLY   0 -21.921   2.225   5.790
    3   2HA   GLY   0          2HA       GLY   0 -20.622   1.078   5.493
    4    H    HIS   1           H        HIS   1 -18.419   2.587   5.237
    5    HA   HIS   1           HA       HIS   1 -18.129   4.709   7.059
    6   1HB   HIS   1          1HB       HIS   1 -16.786   3.440   8.799
    7   2HB   HIS   1          2HB       HIS   1 -18.529   3.188   8.842
    8    HD1  HIS   1           HD1      HIS   1 -15.336   1.414   8.486
    9    HD2  HIS   1           HD2      HIS   1 -19.356   0.629   7.794
   10    HE1  HIS   1           HE1      HIS   1 -15.501  -1.083   8.244
   11    H    MET   2           H        MET   2 -15.604   4.657   7.841
   12    HA   MET   2           HA       MET   2 -14.124   5.063   5.505
   13   1HB   MET   2          1HB       MET   2 -13.662   6.026   7.794
   14   2HB   MET   2          2HB       MET   2 -12.962   4.473   8.229
   15   1HG   MET   2          1HG       MET   2 -11.179   5.910   7.637
   16   2HG   MET   2          2HG       MET   2 -11.372   4.749   6.325
   17   1HE   MET   2          1HE       MET   2 -11.724   8.900   6.993
   18   2HE   MET   2          2HE       MET   2 -10.379   7.778   7.198
   19   3HE   MET   2          3HE       MET   2 -10.477   8.783   5.752
   20    H    VAL   3           H        VAL   3 -12.225   3.936   4.741
   21    HA   VAL   3           HA       VAL   3 -12.654   1.217   4.256
   22    HB   VAL   3           HB       VAL   3 -10.385   1.163   3.331
   23   1HG1  VAL   3          1HG1      VAL   3 -10.653   3.177   1.774
   24   2HG1  VAL   3          2HG1      VAL   3 -11.968   2.000   1.822
   25   3HG1  VAL   3          3HG1      VAL   3 -12.119   3.528   2.690
   26   1HG2  VAL   3          1HG2      VAL   3  -9.413   3.716   3.447
   27   2HG2  VAL   3          2HG2      VAL   3 -10.064   3.494   5.071
   28   3HG2  VAL   3          3HG2      VAL   3  -8.857   2.370   4.443
   29    H    ILE   4           H        ILE   4 -12.219  -0.568   5.374
   30    HA   ILE   4           HA       ILE   4 -10.389  -0.358   7.677
   31    HB   ILE   4           HB       ILE   4 -12.837  -0.676   8.237
   32   1HG1  ILE   4          1HG1      ILE   4 -11.276  -3.048   9.194
   33   2HG1  ILE   4          2HG1      ILE   4 -10.710  -1.428   9.583
   34   1HG2  ILE   4          1HG2      ILE   4 -12.680  -2.639   6.283
   35   2HG2  ILE   4          2HG2      ILE   4 -12.782  -3.535   7.799
   36   3HG2  ILE   4          3HG2      ILE   4 -14.026  -2.355   7.387
   37   1HD1  ILE   4          1HD1      ILE   4 -12.004  -1.697  11.390
   38   2HD1  ILE   4          2HD1      ILE   4 -13.305  -1.231  10.294
   39   3HD1  ILE   4          3HD1      ILE   4 -12.999  -2.936  10.625
   40    H    GLY   5           H        GLY   5  -9.518  -1.036   5.075
   41   1HA   GLY   5          1HA       GLY   5  -8.789  -3.868   5.501
   42   2HA   GLY   5          2HA       GLY   5  -9.160  -3.238   3.903
   43    H    THR   6           H        THR   6  -7.583  -0.900   5.687
   44    HA   THR   6           HA       THR   6  -5.308  -0.874   4.049
   45    HB   THR   6           HB       THR   6  -4.353   0.715   5.727
   46    HG1  THR   6           1HG      THR   6  -5.547   1.200   7.550
   47   1HG2  THR   6          1HG2      THR   6  -6.772   0.993   4.187
   48   2HG2  THR   6          2HG2      THR   6  -5.484   2.166   4.467
   49   3HG2  THR   6          3HG2      THR   6  -6.821   2.036   5.608
   50    H    TRP   7           H        TRP   7  -3.281  -1.689   4.251
   51    HA   TRP   7           HA       TRP   7  -2.871  -3.646   6.398
   52   1HB   TRP   7          1HB       TRP   7  -0.923  -4.349   4.847
   53   2HB   TRP   7          2HB       TRP   7  -2.569  -4.726   4.345
   54    HD1  TRP   7           1HD      TRP   7  -3.655  -2.884   2.516
   55    HE1  TRP   7           1HE      TRP   7  -2.473  -1.742   0.534
   56    HE3  TRP   7           3HE      TRP   7   1.199  -3.511   3.993
   57    HZ2  TRP   7           2HZ      TRP   7   0.167  -1.182  -0.294
   58    HZ3  TRP   7           3HZ      TRP   7   2.993  -2.644   2.549
   59    HH2  TRP   7           2HH      TRP   7   2.486  -1.504   0.451
   60    H    ASP   8           H        ASP   8  -1.146  -3.562   7.769
   61    HA   ASP   8           HA       ASP   8   0.306  -1.027   7.839
   62   1HB   ASP   8          1HB       ASP   8   0.341  -3.209   9.925
   63   2HB   ASP   8          2HB       ASP   8   0.806  -1.521  10.122
   64    H    CYS   9           H        CYS   9   2.454  -0.836   7.532
   65    HA   CYS   9           HA       CYS   9   3.868  -2.864   6.186
   66   1HB   CYS   9          1HB       CYS   9   4.222  -0.273   6.235
   67   2HB   CYS   9          2HB       CYS   9   5.275  -0.626   7.601
   68    H    ASP  10           H        ASP  10   6.183  -3.463   6.982
   69    HA   ASP  10           HA       ASP  10   6.155  -4.146   9.834
   70   1HB   ASP  10          1HB       ASP  10   6.321  -6.049   7.524
   71   2HB   ASP  10          2HB       ASP  10   7.156  -6.430   9.028
   72    H    THR  11           H        THR  11   7.665  -2.441   7.686
   73    HA   THR  11           HA       THR  11  10.341  -3.106   8.716
   74    HB   THR  11           HB       THR  11   9.501  -3.149   5.973
   75    HG1  THR  11           1HG      THR  11  11.580  -4.043   5.756
   76   1HG2  THR  11          1HG2      THR  11  10.071  -0.788   5.892
   77   2HG2  THR  11          2HG2      THR  11  11.281  -1.729   5.019
   78   3HG2  THR  11          3HG3      THR  11  11.636  -1.118   6.634
   79    H    CYS  12           H        CYS  12   8.142  -0.657   7.472
   80    HA   CYS  12           HA       CYS  12   9.858   1.416   8.673
   81   1HB   CYS  12          1HB       CYS  12   9.350   2.882   6.975
   82   2HB   CYS  12          2HB       CYS  12   9.288   1.360   6.092
   83    H    LEU  13           H        LEU  13   6.989  -0.255   8.992
   84    HA   LEU  13           HA       LEU  13   5.166  -0.021  10.329
   85   1HB   LEU  13          1HB       LEU  13   7.124   1.867  11.538
   86   2HB   LEU  13          2HB       LEU  13   5.452   1.921  12.093
   87    HG   LEU  13           HG       LEU  13   5.773  -0.635  12.467
   88   1HD1  LEU  13          1HD1      LEU  13   8.597   0.364  12.260
   89   2HD1  LEU  13          2HD1      LEU  13   7.860  -1.023  11.459
   90   3HD1  LEU  13          3HD1      LEU  13   8.165  -1.066  13.195
   91   1HD2  LEU  13          1HD2      LEU  13   5.360   0.912  14.262
   92   2HD2  LEU  13          2HD2      LEU  13   7.031   1.475  14.215
   93   3HD2  LEU  13          3HD2      LEU  13   6.669  -0.172  14.731
   94    H    VAL  14           H        VAL  14   4.101   0.704   8.332
   95    HA   VAL  14           HA       VAL  14   2.803   3.256   8.772
   96    HB   VAL  14           HB       VAL  14   4.410   2.718   6.277
   97   1HG1  VAL  14          1HG1      VAL  14   3.412   4.670   5.283
   98   2HG1  VAL  14          2HG1      VAL  14   2.133   3.541   5.734
   99   3HG1  VAL  14          3HG1      VAL  14   2.449   4.962   6.731
  100   1HG2  VAL  14          1HG2      VAL  14   5.664   3.722   8.096
  101   2HG2  VAL  14          2HG2      VAL  14   5.419   4.900   6.806
  102   3HG2  VAL  14          3HG2      VAL  14   4.441   4.981   8.272
  103    H    GLN  15           H        GLN  15   0.713   3.165   8.210
  104    HA   GLN  15           HA       GLN  15  -0.300   0.713   7.061
  105   1HB   GLN  15          1HB       GLN  15  -1.669   3.180   8.136
  106   2HB   GLN  15          2HB       GLN  15  -2.536   1.798   7.480
  107   1HG   GLN  15          1HG       GLN  15  -1.297   0.401   9.203
  108   2HG   GLN  15          2HG       GLN  15  -0.843   1.932   9.949
  109   1HE2  GLN  15          2HE2      GLN  15  -2.619   3.380  10.550
  110   2HE2  GLN  15          1HE2      GLN  15  -4.100   2.685  11.103
  111    H    ASN  16           H        ASN  16  -1.600   0.567   5.197
  112    HA   ASN  16           HA       ASN  16  -1.712   2.877   3.424
  113   1HB   ASN  16          1HB       ASN  16  -0.721   0.339   2.205
  114   2HB   ASN  16          2HB       ASN  16  -0.450   2.005   1.702
  115   1HD2  ASN  16          2HD2      ASN  16   0.223  -0.092   4.487
  116   2HD2  ASN  16          1HD2      ASN  16   1.849   0.446   4.712
  117    H    LYS  17           H        LYS  17  -3.151   2.564   1.601
  118    HA   LYS  17           HA       LYS  17  -5.503   1.137   2.330
  119   1HB   LYS  17          1HB       LYS  17  -6.516   2.138   0.481
  120   2HB   LYS  17          2HB       LYS  17  -5.285   3.305   0.947
  121   1HG   LYS  17          1HG       LYS  17  -3.876   2.673  -0.843
  122   2HG   LYS  17          2HG       LYS  17  -4.846   1.241  -1.192
  123   1HD   LYS  17          1HD       LYS  17  -5.597   2.667  -2.826
  124   2HD   LYS  17          2HD       LYS  17  -6.755   3.014  -1.540
  125   1HE   LYS  17          1HE       LYS  17  -4.220   4.590  -1.923
  126   2HE   LYS  17          2HE       LYS  17  -5.735   5.016  -2.718
  127   1HZ   LYS  17          1HZ       LYS  17  -6.705   4.973  -0.374
  128   2HZ   LYS  17          2HZ       LYS  17  -5.722   6.286  -0.790
  129   3HZ   LYS  17          3HZ       LYS  17  -5.103   5.035   0.167
  130    HA   PRO  18           HA       PRO  18  -4.760  -2.787   0.490
  131   1HB   PRO  18          1HB       PRO  18  -7.318  -3.557   0.009
  132   2HB   PRO  18          2HB       PRO  18  -6.617  -3.514   1.631
  133   1HG   PRO  18          1HG       PRO  18  -8.389  -1.515   0.280
  134   2HG   PRO  18          2HG       PRO  18  -8.452  -2.121   1.945
  135   1HD   PRO  18          1HD       PRO  18  -7.360   0.273   1.306
  136   2HD   PRO  18          2HD       PRO  18  -6.764  -0.719   2.652
  137    H    GLU  19           H        GLU  19  -6.145  -0.181  -1.195
  138    HA   GLU  19           HA       GLU  19  -6.480  -1.618  -3.695
  139   1HB   GLU  19          1HB       GLU  19  -8.086   0.016  -3.614
  140   2HB   GLU  19          2HB       GLU  19  -7.063   1.128  -2.715
  141   1HG   GLU  19          1HG       GLU  19  -5.886   1.765  -4.673
  142   2HG   GLU  19          2HG       GLU  19  -6.623   0.467  -5.612
  143    H    ALA  20           H        ALA  20  -3.929  -0.301  -2.023
  144    HA   ALA  20           HA       ALA  20  -2.469   0.677  -4.337
  145   1HB   ALA  20          1HB       ALA  20  -0.666   1.131  -2.707
  146   2HB   ALA  20          2HB       ALA  20  -2.198   1.887  -2.268
  147   3HB   ALA  20          3HB       ALA  20  -1.669   0.422  -1.442
  148    H    ILE  21           H        ILE  21  -0.102  -0.102  -4.483
  149    HA   ILE  21           HA       ILE  21  -0.123  -3.047  -4.424
  150    HB   ILE  21           HB       ILE  21   1.431  -1.218  -6.259
  151   1HG1  ILE  21          1HG1      ILE  21  -0.902  -1.205  -6.865
  152   2HG1  ILE  21          2HG1      ILE  21  -0.041  -2.218  -8.019
  153   1HG2  ILE  21          1HG2      ILE  21   2.005  -3.317  -7.444
  154   2HG2  ILE  21          2HG2      ILE  21   2.681  -3.225  -5.819
  155   3HG2  ILE  21          3HG2      ILE  21   1.261  -4.224  -6.128
  156   1HD1  ILE  21          1HD1      ILE  21  -0.758  -4.144  -6.410
  157   2HD1  ILE  21          2HD1      ILE  21  -1.988  -2.984  -5.906
  158   3HD1  ILE  21          3HD1      ILE  21  -1.891  -3.490  -7.592
  159    H    LYS  22           H        LYS  22   1.471  -0.211  -3.331
  160    HA   LYS  22           HA       LYS  22   3.373  -1.849  -1.849
  161   1HB   LYS  22          1HB       LYS  22   5.240  -0.284  -2.443
  162   2HB   LYS  22          2HB       LYS  22   4.688  -1.297  -3.770
  163   1HG   LYS  22          1HG       LYS  22   3.265   0.657  -4.502
  164   2HG   LYS  22          2HG       LYS  22   4.158   1.626  -3.328
  165   1HD   LYS  22          1HD       LYS  22   6.263   0.981  -4.457
  166   2HD   LYS  22          2HD       LYS  22   5.317   0.110  -5.667
  167   1HE   LYS  22          1HE       LYS  22   5.876   2.253  -6.567
  168   2HE   LYS  22          2HE       LYS  22   4.154   2.253  -6.192
  169   1HZ   LYS  22          1HZ       LYS  22   5.689   3.159  -3.977
  170   2HZ   LYS  22          2HZ       LYS  22   4.429   3.935  -4.794
  171   3HZ   LYS  22          3HZ       LYS  22   6.018   4.087  -5.352
  172    H    CYS  23           H        CYS  23   4.763  -0.214  -0.426
  173    HA   CYS  23           HA       CYS  23   2.894   1.076   1.283
  174   1HB   CYS  23          1HB       CYS  23   5.252  -0.005   1.776
  175   2HB   CYS  23          2HB       CYS  23   5.827   1.631   1.468
  176    H    VAL  24           H        VAL  24   2.963   3.330   1.943
  177    HA   VAL  24           HA       VAL  24   3.551   5.098  -0.336
  178    HB   VAL  24           HB       VAL  24   1.179   5.004   0.329
  179   1HG1  VAL  24          1HG1      VAL  24   0.556   4.980   2.459
  180   2HG1  VAL  24          2HG1      VAL  24   2.251   5.089   2.938
  181   3HG1  VAL  24          3HG1      VAL  24   1.297   6.558   2.722
  182   1HG2  VAL  24          1HG2      VAL  24   2.604   7.177  -0.358
  183   2HG2  VAL  24          2HG2      VAL  24   0.859   7.202  -0.102
  184   3HG2  VAL  24          2HG3      VAL  24   1.946   7.724   1.184
  185    H    ALA  25           H        ALA  25   5.267   4.171   2.039
  186    HA   ALA  25           HA       ALA  25   6.231   6.859   2.726
  187   1HB   ALA  25          1HB       ALA  25   5.169   6.364   4.719
  188   2HB   ALA  25          2HB       ALA  25   5.550   4.644   4.616
  189   3HB   ALA  25          3HB       ALA  25   6.815   5.805   5.022
  190    H    CYS  26           H        CYS  26   6.918   3.392   2.570
  191    HA   CYS  26           HA       CYS  26   9.774   4.040   2.241
  192   1HB   CYS  26          1HB       CYS  26  10.353   1.975   3.222
  193   2HB   CYS  26          2HB       CYS  26   9.055   2.604   4.234
  194    H    GLU  27           H        GLU  27   7.005   2.905   0.692
  195    HA   GLU  27           HA       GLU  27   6.627   2.139  -1.419
  196   1HB   GLU  27          1HB       GLU  27   9.568   2.286  -2.008
  197   2HB   GLU  27          2HB       GLU  27   8.213   2.521  -3.103
  198   1HG   GLU  27          1HG       GLU  27   9.337   4.399  -1.068
  199   2HG   GLU  27          2HG       GLU  27   9.055   4.658  -2.788
  200    H    THR  28           H        THR  28   6.756   0.251   0.494
  201    HA   THR  28           HA       THR  28   8.548  -1.873  -0.368
  202    HB   THR  28           HB       THR  28   6.987  -1.309   2.036
  203    HG1  THR  28           1HG      THR  28   9.209  -3.010   1.477
  204   1HG2  THR  28          1HG2      THR  28   6.755  -3.777   2.579
  205   2HG2  THR  28          2HG2      THR  28   6.954  -4.079   0.853
  206   3HG2  THR  28          3HG2      THR  28   5.588  -3.123   1.430
  207    HA   PRO  29           HA       PRO  29   5.642  -3.859  -3.012
  208   1HB   PRO  29          1HB       PRO  29   6.606  -6.394  -2.896
  209   2HB   PRO  29          2HB       PRO  29   7.416  -5.097  -3.784
  210   1HG   PRO  29          1HG       PRO  29   8.011  -6.186  -1.059
  211   2HG   PRO  29          2HG       PRO  29   9.135  -5.749  -2.360
  212   1HD   PRO  29          1HD       PRO  29   8.654  -4.128  -0.244
  213   2HD   PRO  29          2HD       PRO  29   9.036  -3.501  -1.860
  214    H    LYS  30           H        LYS  30   3.606  -4.075  -2.298
  215    HA   LYS  30           HA       LYS  30   2.779  -5.115   0.142
  216   1HB   LYS  30          1HB       LYS  30   1.272  -3.765  -1.130
  217   2HB   LYS  30          2HB       LYS  30   1.332  -4.873  -2.494
  218   1HG   LYS  30          1HG       LYS  30   0.387  -6.566  -0.699
  219   2HG   LYS  30          2HG       LYS  30  -0.175  -5.071   0.053
  220   1HD   LYS  30          1HD       LYS  30  -0.651  -5.279  -2.844
  221   2HD   LYS  30          2HD       LYS  30  -1.543  -6.433  -1.850
  222   1HE   LYS  30          1HE       LYS  30  -2.331  -4.530  -0.458
  223   2HE   LYS  30          2HE       LYS  30  -1.541  -3.429  -1.584
  224   1HZ   LYS  30          1HZ       LYS  30  -3.551  -3.446  -2.556
  225   2HZ   LYS  30          2HZ       LYS  30  -4.004  -4.929  -1.882
  226   3HZ   LYS  30          3HZ       LYS  30  -3.014  -4.891  -3.253
  227    HA   PRO  31           HA       PRO  31   3.214  -9.478  -0.264
  228   1HB   PRO  31          1HB       PRO  31   1.391 -10.261   1.589
  229   2HB   PRO  31          2HB       PRO  31   2.957  -9.564   2.018
  230   1HG   PRO  31          1HG       PRO  31   0.269  -8.253   1.897
  231   2HG   PRO  31          2HG       PRO  31   1.540  -8.087   3.122
  232   1HD   PRO  31          1HD       PRO  31   1.144  -6.247   1.176
  233   2HD   PRO  31          2HD       PRO  31   2.751  -6.597   1.847
  Start of MODEL    4
    1   1H    GLY   0          1H        GLY   0 -10.453 -11.488  -3.862
    2   1HA   GLY   0          1HA       GLY   0 -13.042 -10.847  -2.758
    3   2HA   GLY   0          2HA       GLY   0 -12.130 -11.998  -1.793
    4    H    HIS   1           H        HIS   1 -12.887  -9.545  -0.771
    5    HA   HIS   1           HA       HIS   1 -10.395  -7.982  -0.774
    6   1HB   HIS   1          1HB       HIS   1 -13.261  -7.262  -0.281
    7   2HB   HIS   1          2HB       HIS   1 -11.984  -6.284   0.438
    8    HD1  HIS   1           HD1      HIS   1 -13.527  -4.689  -1.396
    9    HD2  HIS   1           HD2      HIS   1 -10.533  -7.194  -2.818
   10    HE1  HIS   1           HE1      HIS   1 -12.912  -3.783  -3.660
   11    H    MET   2           H        MET   2 -10.184 -10.251   0.645
   12    HA   MET   2           HA       MET   2 -11.026 -10.466   3.220
   13   1HB   MET   2          1HB       MET   2  -8.548 -11.289   3.635
   14   2HB   MET   2          2HB       MET   2  -9.658 -12.210   2.629
   15   1HG   MET   2          1HG       MET   2  -8.577 -11.667   0.691
   16   2HG   MET   2          2HG       MET   2  -7.943 -10.157   1.340
   17   1HE   MET   2          1HE       MET   2  -5.357 -10.516   3.314
   18   2HE   MET   2          2HE       MET   2  -4.568 -10.727   1.751
   19   3HE   MET   2          3HE       MET   2  -5.997  -9.701   1.887
   20    H    VAL   3           H        VAL   3  -8.759  -8.144   1.941
   21    HA   VAL   3           HA       VAL   3  -7.496  -7.264   4.246
   22    HB   VAL   3           HB       VAL   3  -7.278  -5.062   3.108
   23   1HG1  VAL   3          1HG1      VAL   3  -5.618  -6.682   2.621
   24   2HG1  VAL   3          2HG1      VAL   3  -6.696  -7.563   1.536
   25   3HG1  VAL   3          3HG1      VAL   3  -6.090  -5.971   1.079
   26   1HG2  VAL   3          1HG2      VAL   3  -9.087  -4.555   1.849
   27   2HG2  VAL   3          2HG2      VAL   3  -8.149  -5.348   0.583
   28   3HG2  VAL   3          3HG2      VAL   3  -9.409  -6.240   1.437
   29    H    ILE   4           H        ILE   4  -8.326  -6.562   6.090
   30    HA   ILE   4           HA       ILE   4 -10.965  -5.958   6.605
   31    HB   ILE   4           HB       ILE   4  -8.426  -5.223   8.009
   32   1HG1  ILE   4          1HG1      ILE   4 -10.839  -6.812   8.900
   33   2HG1  ILE   4          2HG1      ILE   4  -9.419  -7.520   8.138
   34   1HG2  ILE   4          1HG2      ILE   4  -9.959  -4.368   9.875
   35   2HG2  ILE   4          2HG2      ILE   4  -9.649  -3.298   8.509
   36   3HG2  ILE   4          3HG2      ILE   4 -11.172  -4.181   8.610
   37   1HD1  ILE   4          1HD1      ILE   4  -8.153  -6.327  10.085
   38   2HD1  ILE   4          2HD1      ILE   4  -9.738  -6.369  10.860
   39   3HD1  ILE   4          3HD1      ILE   4  -8.965  -7.869  10.350
   40    H    GLY   5           H        GLY   5  -8.666  -4.057   4.956
   41   1HA   GLY   5          1HA       GLY   5  -9.957  -2.204   3.735
   42   2HA   GLY   5          2HA       GLY   5 -10.264  -1.615   5.362
   43    H    THR   6           H        THR   6  -7.286  -2.964   5.483
   44    HA   THR   6           HA       THR   6  -5.599  -1.156   4.180
   45    HB   THR   6           HB       THR   6  -4.902  -0.035   6.516
   46    HG1  THR   6           1HG      THR   6  -7.159  -1.140   7.151
   47   1HG2  THR   6          1HG2      THR   6  -7.011   1.593   5.521
   48   2HG2  THR   6          2HG2      THR   6  -6.256   0.778   4.151
   49   3HG2  THR   6          3HG2      THR   6  -5.277   1.754   5.247
   50    H    TRP   7           H        TRP   7  -3.411  -1.560   4.586
   51    HA   TRP   7           HA       TRP   7  -2.872  -3.740   6.494
   52   1HB   TRP   7          1HB       TRP   7  -1.086  -4.470   4.844
   53   2HB   TRP   7          2HB       TRP   7  -2.754  -4.735   4.340
   54    HD1  TRP   7           1HD      TRP   7  -3.744  -2.825   2.558
   55    HE1  TRP   7           1HE      TRP   7  -2.513  -1.638   0.634
   56    HE3  TRP   7           3HE      TRP   7   1.074  -3.621   4.068
   57    HZ2  TRP   7           2HZ      TRP   7   0.150  -1.111  -0.140
   58    HZ3  TRP   7           3HZ      TRP   7   2.906  -2.743   2.679
   59    HH2  TRP   7           2HH      TRP   7   2.451  -1.515   0.618
   60    H    ASP   8           H        ASP   8  -1.105  -3.547   7.775
   61    HA   ASP   8           HA       ASP   8   0.299  -0.985   7.683
   62   1HB   ASP   8          1HB       ASP   8   0.642  -3.035   9.851
   63   2HB   ASP   8          2HB       ASP   8   0.802  -1.283   9.948
   64    H    CYS   9           H        CYS   9   2.570  -0.827   7.762
   65    HA   CYS   9           HA       CYS   9   3.924  -2.812   6.205
   66   1HB   CYS   9          1HB       CYS   9   4.289  -0.239   6.246
   67   2HB   CYS   9          2HB       CYS   9   5.311  -0.567   7.641
   68    H    ASP  10           H        ASP  10   6.197  -3.507   6.935
   69    HA   ASP  10           HA       ASP  10   6.152  -4.281   9.774
   70   1HB   ASP  10          1HB       ASP  10   6.600  -6.505   9.323
   71   2HB   ASP  10          2HB       ASP  10   5.523  -6.098   7.990
   72    H    THR  11           H        THR  11   7.707  -2.541   7.533
   73    HA   THR  11           HA       THR  11  10.356  -3.058   8.723
   74    HB   THR  11           HB       THR  11   9.607  -2.353   5.903
   75    HG1  THR  11           1HG      THR  11  10.052  -4.478   6.095
   76   1HG2  THR  11          1HG2      THR  11  11.992  -1.821   5.482
   77   2HG2  THR  11          2HG2      THR  11  12.277  -1.846   7.223
   78   3HG2  THR  11          3HG3      THR  11  11.200  -0.639   6.522
   79    H    CYS  12           H        CYS  12   8.420  -0.524   7.125
   80    HA   CYS  12           HA       CYS  12   9.891   1.505   8.640
   81   1HB   CYS  12          1HB       CYS  12   9.343   3.027   7.003
   82   2HB   CYS  12          2HB       CYS  12   9.351   1.545   6.053
   83    H    LEU  13           H        LEU  13   7.042  -0.257   8.792
   84    HA   LEU  13           HA       LEU  13   5.195  -0.148  10.112
   85   1HB   LEU  13          1HB       LEU  13   7.110   1.664  11.483
   86   2HB   LEU  13          2HB       LEU  13   5.425   1.699  11.998
   87    HG   LEU  13           HG       LEU  13   5.762  -0.902  12.182
   88   1HD1  LEU  13          1HD1      LEU  13   8.116  -1.293  13.073
   89   2HD1  LEU  13          2HD1      LEU  13   8.554   0.196  12.236
   90   3HD1  LEU  13          3HD1      LEU  13   7.925  -1.175  11.323
   91   1HD2  LEU  13          1HD2      LEU  13   6.924  -0.251  14.527
   92   2HD2  LEU  13          2HD2      LEU  13   5.207  -0.041  14.188
   93   3HD2  LEU  13          3HD2      LEU  13   6.311   1.326  14.026
   94    H    VAL  14           H        VAL  14   3.990   0.632   8.295
   95    HA   VAL  14           HA       VAL  14   2.740   3.179   8.828
   96    HB   VAL  14           HB       VAL  14   4.266   2.726   6.264
   97   1HG1  VAL  14          1HG1      VAL  14   2.354   4.976   6.870
   98   2HG1  VAL  14          2HG1      VAL  14   3.248   4.707   5.372
   99   3HG1  VAL  14          3HG1      VAL  14   1.970   3.590   5.851
  100   1HG2  VAL  14          1HG2      VAL  14   4.393   4.875   8.376
  101   2HG2  VAL  14          2HG2      VAL  14   5.614   3.648   8.042
  102   3HG2  VAL  14          3HG2      VAL  14   5.282   4.907   6.853
  103    H    GLN  15           H        GLN  15   0.654   3.234   8.145
  104    HA   GLN  15           HA       GLN  15  -0.438   0.776   7.078
  105   1HB   GLN  15          1HB       GLN  15  -1.862   3.322   7.868
  106   2HB   GLN  15          2HB       GLN  15  -2.612   1.763   7.551
  107   1HG   GLN  15          1HG       GLN  15  -2.548   1.874   9.861
  108   2HG   GLN  15          2HG       GLN  15  -1.142   0.890   9.460
  109   1HE2  GLN  15          2HE2      GLN  15  -2.113   4.225  10.122
  110   2HE2  GLN  15          1HE2      GLN  15  -0.646   4.682  10.912
  111    H    ASN  16           H        ASN  16  -1.618   0.572   5.171
  112    HA   ASN  16           HA       ASN  16  -1.689   2.838   3.336
  113   1HB   ASN  16          1HB       ASN  16  -0.678   0.263   2.217
  114   2HB   ASN  16          2HB       ASN  16  -0.388   1.912   1.673
  115   1HD2  ASN  16          2HD2      ASN  16   0.218  -0.134   4.508
  116   2HD2  ASN  16          1HD2      ASN  16   1.835   0.416   4.770
  117    H    LYS  17           H        LYS  17  -3.224   2.643   1.676
  118    HA   LYS  17           HA       LYS  17  -5.537   1.173   2.329
  119   1HB   LYS  17          1HB       LYS  17  -6.535   2.172   0.470
  120   2HB   LYS  17          2HB       LYS  17  -5.303   3.335   0.940
  121   1HG   LYS  17          1HG       LYS  17  -3.883   2.689  -0.839
  122   2HG   LYS  17          2HG       LYS  17  -4.862   1.263  -1.192
  123   1HD   LYS  17          1HD       LYS  17  -5.524   2.748  -2.844
  124   2HD   LYS  17          2HD       LYS  17  -6.762   2.981  -1.607
  125   1HE   LYS  17          1HE       LYS  17  -4.292   4.690  -1.836
  126   2HE   LYS  17          2HE       LYS  17  -5.824   5.089  -2.612
  127   1HZ   LYS  17          1HZ       LYS  17  -6.581   4.620  -0.077
  128   2HZ   LYS  17          2HZ       LYS  17  -6.235   6.152  -0.704
  129   3HZ   LYS  17          3HZ       LYS  17  -5.053   5.306   0.161
  130    HA   PRO  18           HA       PRO  18  -4.797  -2.760   0.505
  131   1HB   PRO  18          1HB       PRO  18  -7.355  -3.522   0.010
  132   2HB   PRO  18          2HB       PRO  18  -6.665  -3.476   1.637
  133   1HG   PRO  18          1HG       PRO  18  -8.421  -1.475   0.268
  134   2HG   PRO  18          2HG       PRO  18  -8.497  -2.075   1.935
  135   1HD   PRO  18          1HD       PRO  18  -7.392   0.312   1.294
  136   2HD   PRO  18          2HD       PRO  18  -6.808  -0.677   2.648
  137    H    GLU  19           H        GLU  19  -6.148  -0.151  -1.198
  138    HA   GLU  19           HA       GLU  19  -6.479  -1.595  -3.695
  139   1HB   GLU  19          1HB       GLU  19  -8.083   0.062  -3.560
  140   2HB   GLU  19          2HB       GLU  19  -6.998   1.194  -2.763
  141   1HG   GLU  19          1HG       GLU  19  -7.535   1.935  -5.006
  142   2HG   GLU  19          2HG       GLU  19  -5.819   1.559  -4.862
  143    H    ALA  20           H        ALA  20  -3.929  -0.293  -2.010
  144    HA   ALA  20           HA       ALA  20  -2.448   0.671  -4.315
  145   1HB   ALA  20          1HB       ALA  20  -1.646   0.400  -1.421
  146   2HB   ALA  20          2HB       ALA  20  -0.660   1.133  -2.686
  147   3HB   ALA  20          3HB       ALA  20  -2.196   1.869  -2.227
  148    H    ILE  21           H        ILE  21  -0.096  -0.127  -4.466
  149    HA   ILE  21           HA       ILE  21  -0.133  -3.072  -4.389
  150    HB   ILE  21           HB       ILE  21   1.429  -1.265  -6.238
  151   1HG1  ILE  21          1HG1      ILE  21  -0.099  -2.552  -7.929
  152   2HG1  ILE  21          2HG1      ILE  21  -1.129  -2.805  -6.525
  153   1HG2  ILE  21          1HG2      ILE  21   2.615  -3.338  -5.713
  154   2HG2  ILE  21          2HG2      ILE  21   1.198  -4.271  -6.187
  155   3HG2  ILE  21          3HG2      ILE  21   2.068  -3.320  -7.389
  156   1HD1  ILE  21          1HD1      ILE  21  -1.512  -0.503  -6.267
  157   2HD1  ILE  21          2HD1      ILE  21  -0.196  -0.082  -7.366
  158   3HD1  ILE  21          3HD1      ILE  21  -1.667  -0.825  -7.995
  159    H    LYS  22           H        LYS  22   1.477  -0.241  -3.312
  160    HA   LYS  22           HA       LYS  22   3.382  -1.885  -1.836
  161   1HB   LYS  22          1HB       LYS  22   5.250  -0.334  -2.430
  162   2HB   LYS  22          2HB       LYS  22   4.676  -1.312  -3.775
  163   1HG   LYS  22          1HG       LYS  22   3.313   0.633  -4.520
  164   2HG   LYS  22          2HG       LYS  22   4.087   1.593  -3.257
  165   1HD   LYS  22          1HD       LYS  22   5.301   2.026  -5.238
  166   2HD   LYS  22          2HD       LYS  22   6.299   0.919  -4.292
  167   1HE   LYS  22          1HE       LYS  22   6.339   0.156  -6.545
  168   2HE   LYS  22          2HE       LYS  22   5.323  -0.959  -5.634
  169   1HZ   LYS  22          1HZ       LYS  22   3.614   0.978  -6.562
  170   2HZ   LYS  22          2HZ       LYS  22   3.776  -0.595  -7.163
  171   3HZ   LYS  22          3HZ       LYS  22   4.650   0.672  -7.865
  172    H    CYS  23           H        CYS  23   4.787  -0.225  -0.433
  173    HA   CYS  23           HA       CYS  23   2.917   1.044   1.298
  174   1HB   CYS  23          1HB       CYS  23   5.283  -0.031   1.774
  175   2HB   CYS  23          2HB       CYS  23   5.847   1.609   1.474
  176    H    VAL  24           H        VAL  24   2.941   3.289   1.945
  177    HA   VAL  24           HA       VAL  24   3.517   5.066  -0.327
  178    HB   VAL  24           HB       VAL  24   1.151   4.944   0.400
  179   1HG1  VAL  24          1HG1      VAL  24   1.339   4.539   2.731
  180   2HG1  VAL  24          2HG1      VAL  24   2.284   6.009   2.977
  181   3HG1  VAL  24          3HG1      VAL  24   0.576   6.118   2.550
  182   1HG2  VAL  24          1HG2      VAL  24   2.702   7.218  -0.137
  183   2HG2  VAL  24          2HG2      VAL  24   0.962   7.028  -0.353
  184   3HG2  VAL  24          2HG3      VAL  24   1.596   7.678   1.158
  185    H    ALA  25           H        ALA  25   5.252   4.137   2.044
  186    HA   ALA  25           HA       ALA  25   6.210   6.829   2.730
  187   1HB   ALA  25          1HB       ALA  25   5.310   6.375   4.771
  188   2HB   ALA  25          2HB       ALA  25   5.471   4.629   4.578
  189   3HB   ALA  25          3HB       ALA  25   6.882   5.606   4.982
  190    H    CYS  26           H        CYS  26   6.973   3.362   2.650
  191    HA   CYS  26           HA       CYS  26   9.800   4.064   2.215
  192   1HB   CYS  26          1HB       CYS  26  10.421   1.972   3.143
  193   2HB   CYS  26          2HB       CYS  26   9.181   2.617   4.213
  194    H    GLU  27           H        GLU  27   7.021   2.892   0.711
  195    HA   GLU  27           HA       GLU  27   6.621   2.157  -1.409
  196   1HB   GLU  27          1HB       GLU  27   9.569   2.325  -1.992
  197   2HB   GLU  27          2HB       GLU  27   8.221   2.499  -3.108
  198   1HG   GLU  27          1HG       GLU  27   7.837   4.665  -2.534
  199   2HG   GLU  27          2HG       GLU  27   8.438   4.454  -0.890
  200    H    THR  28           H        THR  28   6.804   0.268   0.528
  201    HA   THR  28           HA       THR  28   8.563  -1.862  -0.374
  202    HB   THR  28           HB       THR  28   7.050  -1.293   2.053
  203    HG1  THR  28           1HG      THR  28   8.754  -2.762   2.835
  204   1HG2  THR  28          1HG2      THR  28   6.791  -3.765   2.588
  205   2HG2  THR  28          2HG2      THR  28   6.935  -4.052   0.855
  206   3HG2  THR  28          3HG2      THR  28   5.606  -3.076   1.480
  207    HA   PRO  29           HA       PRO  29   5.620  -3.843  -2.979
  208   1HB   PRO  29          1HB       PRO  29   6.565  -6.385  -2.861
  209   2HB   PRO  29          2HB       PRO  29   7.378  -5.098  -3.761
  210   1HG   PRO  29          1HG       PRO  29   7.987  -6.181  -1.038
  211   2HG   PRO  29          2HG       PRO  29   9.103  -5.758  -2.349
  212   1HD   PRO  29          1HD       PRO  29   8.652  -4.125  -0.236
  213   2HD   PRO  29          2HD       PRO  29   9.026  -3.507  -1.858
  214    H    LYS  30           H        LYS  30   3.584  -4.086  -2.293
  215    HA   LYS  30           HA       LYS  30   2.770  -5.098   0.175
  216   1HB   LYS  30          1HB       LYS  30   1.266  -3.736  -1.092
  217   2HB   LYS  30          2HB       LYS  30   1.302  -4.851  -2.451
  218   1HG   LYS  30          1HG       LYS  30   0.363  -6.522  -0.623
  219   2HG   LYS  30          2HG       LYS  30  -0.192  -5.013   0.103
  220   1HD   LYS  30          1HD       LYS  30  -0.675  -5.266  -2.788
  221   2HD   LYS  30          2HD       LYS  30  -1.566  -6.404  -1.775
  222   1HE   LYS  30          1HE       LYS  30  -2.346  -4.479  -0.408
  223   2HE   LYS  30          2HE       LYS  30  -1.562  -3.396  -1.557
  224   1HZ   LYS  30          1HZ       LYS  30  -3.571  -3.430  -2.525
  225   2HZ   LYS  30          2HZ       LYS  30  -4.029  -4.894  -1.814
  226   3HZ   LYS  30          3HZ       LYS  30  -3.046  -4.893  -3.191
  227    HA   PRO  31           HA       PRO  31   3.169  -9.465  -0.236
  228   1HB   PRO  31          1HB       PRO  31   1.358 -10.234   1.634
  229   2HB   PRO  31          2HB       PRO  31   2.933  -9.548   2.049
  230   1HG   PRO  31          1HG       PRO  31   0.254  -8.217   1.951
  231   2HG   PRO  31          2HG       PRO  31   1.537  -8.062   3.165
  232   1HD   PRO  31          1HD       PRO  31   1.137  -6.217   1.223
  233   2HD   PRO  31          2HD       PRO  31   2.746  -6.580   1.879
  Start of MODEL    5
    1   1H    GLY   0          1H        GLY   0 -16.250   7.923  13.086
    2   1HA   GLY   0          1HA       GLY   0 -15.116   5.656  12.961
    3   2HA   GLY   0          2HA       GLY   0 -16.716   5.710  12.234
    4    H    HIS   1           H        HIS   1 -13.891   4.385  11.733
    5    HA   HIS   1           HA       HIS   1 -13.254   5.145   9.057
    6   1HB   HIS   1          1HB       HIS   1 -12.460   2.792  10.771
    7   2HB   HIS   1          2HB       HIS   1 -11.892   2.991   9.116
    8    HD1  HIS   1           HD1      HIS   1 -10.950   3.727  12.480
    9    HD2  HIS   1           HD2      HIS   1 -10.522   5.655   8.824
   10    HE1  HIS   1           HE1      HIS   1  -9.089   5.387  12.808
   11    H    MET   2           H        MET   2 -13.788   4.186   7.135
   12    HA   MET   2           HA       MET   2 -16.037   2.300   7.241
   13   1HB   MET   2          1HB       MET   2 -15.210   4.433   5.327
   14   2HB   MET   2          2HB       MET   2 -16.103   3.054   4.700
   15   1HG   MET   2          1HG       MET   2 -17.744   3.573   6.648
   16   2HG   MET   2          2HG       MET   2 -16.977   5.160   6.618
   17   1HE   MET   2          1HE       MET   2 -18.053   7.116   4.939
   18   2HE   MET   2          2HE       MET   2 -16.536   6.385   4.417
   19   3HE   MET   2          3HE       MET   2 -17.838   6.641   3.253
   20    H    VAL   3           H        VAL   3 -12.942   2.893   5.627
   21    HA   VAL   3           HA       VAL   3 -13.011   0.193   4.493
   22    HB   VAL   3           HB       VAL   3 -11.028   2.419   4.000
   23   1HG1  VAL   3          1HG1      VAL   3 -10.524  -0.176   3.644
   24   2HG1  VAL   3          2HG1      VAL   3 -11.359   0.151   2.125
   25   3HG1  VAL   3          3HG1      VAL   3  -9.915   1.069   2.555
   26   1HG2  VAL   3          1HG2      VAL   3 -12.437   1.932   1.667
   27   2HG2  VAL   3          2HG2      VAL   3 -13.671   1.889   2.926
   28   3HG2  VAL   3          3HG2      VAL   3 -12.643   3.312   2.746
   29    H    ILE   4           H        ILE   4 -12.652  -0.926   6.467
   30    HA   ILE   4           HA       ILE   4 -10.143  -0.458   7.867
   31    HB   ILE   4           HB       ILE   4 -10.987  -2.486   9.234
   32   1HG1  ILE   4          1HG1      ILE   4 -13.697  -1.677   8.273
   33   2HG1  ILE   4          2HG1      ILE   4 -12.778  -2.826   7.306
   34   1HG2  ILE   4          1HG2      ILE   4 -12.286  -1.051  10.646
   35   2HG2  ILE   4          2HG2      ILE   4 -10.974  -0.103   9.948
   36   3HG2  ILE   4          3HG2      ILE   4 -12.610   0.052   9.308
   37   1HD1  ILE   4          1HD1      ILE   4 -13.807  -4.326   8.617
   38   2HD1  ILE   4          2HD1      ILE   4 -12.508  -3.931   9.743
   39   3HD1  ILE   4          3HD1      ILE   4 -14.085  -3.163   9.913
   40    H    GLY   5           H        GLY   5  -9.468  -1.148   5.391
   41   1HA   GLY   5          1HA       GLY   5  -8.728  -4.003   5.592
   42   2HA   GLY   5          2HA       GLY   5  -9.038  -3.191   4.064
   43    H    THR   6           H        THR   6  -7.593  -0.774   5.280
   44    HA   THR   6           HA       THR   6  -5.238  -0.841   3.983
   45    HB   THR   6           HB       THR   6  -4.301   0.724   5.673
   46    HG1  THR   6           1HG      THR   6  -5.852  -0.527   7.329
   47   1HG2  THR   6          1HG2      THR   6  -6.746   1.020   4.179
   48   2HG2  THR   6          2HG2      THR   6  -5.461   2.195   4.464
   49   3HG2  THR   6          3HG2      THR   6  -6.779   2.031   5.623
   50    H    TRP   7           H        TRP   7  -3.212  -1.659   4.213
   51    HA   TRP   7           HA       TRP   7  -2.858  -3.671   6.319
   52   1HB   TRP   7          1HB       TRP   7  -0.876  -4.339   4.789
   53   2HB   TRP   7          2HB       TRP   7  -2.514  -4.710   4.255
   54    HD1  TRP   7           1HD      TRP   7  -3.574  -2.836   2.444
   55    HE1  TRP   7           1HE      TRP   7  -2.365  -1.651   0.505
   56    HE3  TRP   7           3HE      TRP   7   1.257  -3.476   3.989
   57    HZ2  TRP   7           2HZ      TRP   7   0.286  -1.066  -0.267
   58    HZ3  TRP   7           3HZ      TRP   7   3.071  -2.574   2.592
   59    HH2  TRP   7           2HH      TRP   7   2.594  -1.394   0.509
   60    H    ASP   8           H        ASP   8  -1.191  -3.604   7.750
   61    HA   ASP   8           HA       ASP   8   0.237  -1.077   7.956
   62   1HB   ASP   8          1HB       ASP   8   0.534  -3.338   9.906
   63   2HB   ASP   8          2HB       ASP   8   0.622  -1.602  10.195
   64    H    CYS   9           H        CYS   9   2.433  -0.830   7.856
   65    HA   CYS   9           HA       CYS   9   3.879  -2.840   6.389
   66   1HB   CYS   9          1HB       CYS   9   4.070  -0.317   6.066
   67   2HB   CYS   9          2HB       CYS   9   5.018  -0.299   7.549
   68    H    ASP  10           H        ASP  10   5.824  -3.845   7.044
   69    HA   ASP  10           HA       ASP  10   6.133  -4.052   9.967
   70   1HB   ASP  10          1HB       ASP  10   5.299  -6.085   8.538
   71   2HB   ASP  10          2HB       ASP  10   7.000  -6.233   8.103
   72    H    THR  11           H        THR  11   7.473  -2.386   7.748
   73    HA   THR  11           HA       THR  11  10.235  -3.018   8.558
   74    HB   THR  11           HB       THR  11   9.193  -2.326   5.827
   75    HG1  THR  11           1HG      THR  11   9.596  -4.525   6.374
   76   1HG2  THR  11          1HG2      THR  11  10.892  -0.673   6.160
   77   2HG2  THR  11          2HG2      THR  11  11.587  -1.955   5.166
   78   3HG2  THR  11          3HG3      THR  11  11.980  -1.856   6.883
   79    H    CYS  12           H        CYS  12   8.115  -0.479   7.241
   80    HA   CYS  12           HA       CYS  12   9.775   1.520   8.625
   81   1HB   CYS  12          1HB       CYS  12   9.311   3.049   6.966
   82   2HB   CYS  12          2HB       CYS  12   9.274   1.556   6.035
   83    H    LEU  13           H        LEU  13   7.011  -0.187   9.021
   84    HA   LEU  13           HA       LEU  13   5.141   0.037  10.297
   85   1HB   LEU  13          1HB       LEU  13   6.356   2.426  11.616
   86   2HB   LEU  13          2HB       LEU  13   5.363   1.151  12.317
   87    HG   LEU  13           HG       LEU  13   8.146   0.596  11.340
   88   1HD1  LEU  13          1HD1      LEU  13   8.969   1.934  12.914
   89   2HD1  LEU  13          2HD1      LEU  13   8.283   0.822  14.098
   90   3HD1  LEU  13          3HD1      LEU  13   7.369   2.242  13.591
   91   1HD2  LEU  13          1HD2      LEU  13   7.974  -1.175  13.081
   92   2HD2  LEU  13          2HD2      LEU  13   6.810  -1.346  11.768
   93   3HD2  LEU  13          3HD2      LEU  13   6.291  -0.706  13.328
   94    H    VAL  14           H        VAL  14   3.726   0.662   8.668
   95    HA   VAL  14           HA       VAL  14   2.474   3.179   9.006
   96    HB   VAL  14           HB       VAL  14   4.641   3.191   7.176
   97   1HG1  VAL  14          1HG1      VAL  14   3.559   3.855   5.102
   98   2HG1  VAL  14          2HG1      VAL  14   3.095   2.211   5.541
   99   3HG1  VAL  14          3HG1      VAL  14   1.975   3.546   5.811
  100   1HG2  VAL  14          1HG2      VAL  14   2.648   5.377   7.121
  101   2HG2  VAL  14          2HG2      VAL  14   3.348   4.979   8.691
  102   3HG2  VAL  14          3HG2      VAL  14   4.395   5.439   7.349
  103    H    GLN  15           H        GLN  15   0.414   3.093   8.292
  104    HA   GLN  15           HA       GLN  15  -0.472   0.621   7.070
  105   1HB   GLN  15          1HB       GLN  15  -2.004   3.014   8.097
  106   2HB   GLN  15          2HB       GLN  15  -2.751   1.555   7.461
  107   1HG   GLN  15          1HG       GLN  15  -2.101   0.273   9.271
  108   2HG   GLN  15          2HG       GLN  15  -0.807   1.384   9.720
  109   1HE2  GLN  15          2HE2      GLN  15  -3.379   0.214  10.992
  110   2HE2  GLN  15          1HE2      GLN  15  -4.082   1.589  11.766
  111    H    ASN  16           H        ASN  16  -1.565   0.433   5.118
  112    HA   ASN  16           HA       ASN  16  -1.714   2.801   3.405
  113   1HB   ASN  16          1HB       ASN  16  -0.635   0.290   2.196
  114   2HB   ASN  16          2HB       ASN  16  -0.392   1.964   1.704
  115   1HD2  ASN  16          2HD2      ASN  16   0.198  -0.022   4.591
  116   2HD2  ASN  16          1HD2      ASN  16   1.821   0.518   4.835
  117    H    LYS  17           H        LYS  17  -3.261   2.686   1.769
  118    HA   LYS  17           HA       LYS  17  -5.559   1.191   2.308
  119   1HB   LYS  17          1HB       LYS  17  -6.506   2.205   0.437
  120   2HB   LYS  17          2HB       LYS  17  -5.260   3.351   0.912
  121   1HG   LYS  17          1HG       LYS  17  -3.825   2.656  -0.839
  122   2HG   LYS  17          2HG       LYS  17  -4.836   1.254  -1.198
  123   1HD   LYS  17          1HD       LYS  17  -5.222   2.963  -2.858
  124   2HD   LYS  17          2HD       LYS  17  -6.664   2.791  -1.854
  125   1HE   LYS  17          1HE       LYS  17  -5.941   4.740  -0.531
  126   2HE   LYS  17          2HE       LYS  17  -4.545   4.923  -1.592
  127   1HZ   LYS  17          1HZ       LYS  17  -6.616   6.332  -2.046
  128   2HZ   LYS  17          2HZ       LYS  17  -7.283   4.918  -2.690
  129   3HZ   LYS  17          3HZ       LYS  17  -5.872   5.568  -3.360
  130    HA   PRO  18           HA       PRO  18  -4.751  -2.750   0.525
  131   1HB   PRO  18          1HB       PRO  18  -7.302  -3.547   0.047
  132   2HB   PRO  18          2HB       PRO  18  -6.604  -3.482   1.670
  133   1HG   PRO  18          1HG       PRO  18  -8.392  -1.512   0.298
  134   2HG   PRO  18          2HG       PRO  18  -8.451  -2.103   1.969
  135   1HD   PRO  18          1HD       PRO  18  -7.380   0.295   1.309
  136   2HD   PRO  18          2HD       PRO  18  -6.777  -0.680   2.665
  137    H    GLU  19           H        GLU  19  -6.149  -0.170  -1.185
  138    HA   GLU  19           HA       GLU  19  -6.472  -1.631  -3.673
  139   1HB   GLU  19          1HB       GLU  19  -6.581   1.357  -3.442
  140   2HB   GLU  19          2HB       GLU  19  -7.447   0.300  -4.549
  141   1HG   GLU  19          1HG       GLU  19  -7.962   0.612  -1.600
  142   2HG   GLU  19          2HG       GLU  19  -8.960   1.227  -2.915
  143    H    ALA  20           H        ALA  20  -3.932  -0.278  -2.009
  144    HA   ALA  20           HA       ALA  20  -2.476   0.699  -4.321
  145   1HB   ALA  20          1HB       ALA  20  -1.650   0.418  -1.434
  146   2HB   ALA  20          2HB       ALA  20  -0.677   1.166  -2.701
  147   3HB   ALA  20          3HB       ALA  20  -2.215   1.887  -2.230
  148    H    ILE  21           H        ILE  21  -0.107  -0.076  -4.473
  149    HA   ILE  21           HA       ILE  21  -0.117  -3.022  -4.412
  150    HB   ILE  21           HB       ILE  21   1.364  -1.179  -6.292
  151   1HG1  ILE  21          1HG1      ILE  21  -0.118  -2.529  -7.959
  152   2HG1  ILE  21          2HG1      ILE  21  -1.107  -2.869  -6.543
  153   1HG2  ILE  21          1HG2      ILE  21   2.757  -3.046  -5.974
  154   2HG2  ILE  21          2HG2      ILE  21   1.394  -4.164  -5.964
  155   3HG2  ILE  21          3HG2      ILE  21   1.875  -3.375  -7.465
  156   1HD1  ILE  21          1HD1      ILE  21  -0.368  -0.056  -7.198
  157   2HD1  ILE  21          2HD1      ILE  21  -1.681  -0.858  -8.063
  158   3HD1  ILE  21          3HD1      ILE  21  -1.760  -0.675  -6.311
  159    H    LYS  22           H        LYS  22   1.479  -0.171  -3.362
  160    HA   LYS  22           HA       LYS  22   3.425  -1.794  -1.915
  161   1HB   LYS  22          1HB       LYS  22   5.231  -0.117  -2.529
  162   2HB   LYS  22          2HB       LYS  22   4.746  -1.233  -3.799
  163   1HG   LYS  22          1HG       LYS  22   4.820   0.741  -4.951
  164   2HG   LYS  22          2HG       LYS  22   3.121   0.699  -4.473
  165   1HD   LYS  22          1HD       LYS  22   3.583   2.169  -2.600
  166   2HD   LYS  22          2HD       LYS  22   5.307   2.153  -2.983
  167   1HE   LYS  22          1HE       LYS  22   4.526   3.026  -5.303
  168   2HE   LYS  22          2HE       LYS  22   3.048   3.460  -4.447
  169   1HZ   LYS  22          1HZ       LYS  22   5.546   4.787  -4.465
  170   2HZ   LYS  22          2HZ       LYS  22   5.142   4.355  -2.881
  171   3HZ   LYS  22          3HZ       LYS  22   4.077   5.295  -3.799
  172    H    CYS  23           H        CYS  23   4.797  -0.183  -0.477
  173    HA   CYS  23           HA       CYS  23   2.919   1.114   1.230
  174   1HB   CYS  23          1HB       CYS  23   5.246  -0.035   1.743
  175   2HB   CYS  23          2HB       CYS  23   5.856   1.597   1.486
  176    H    VAL  24           H        VAL  24   2.891   3.336   1.845
  177    HA   VAL  24           HA       VAL  24   3.594   5.121  -0.377
  178    HB   VAL  24           HB       VAL  24   1.216   5.056   0.331
  179   1HG1  VAL  24          1HG1      VAL  24   1.151   6.626   2.603
  180   2HG1  VAL  24          2HG1      VAL  24   0.816   4.896   2.520
  181   3HG1  VAL  24          3HG1      VAL  24   2.434   5.463   2.935
  182   1HG2  VAL  24          1HG2      VAL  24   0.918   7.257  -0.128
  183   2HG2  VAL  24          2HG2      VAL  24   2.090   7.783   1.079
  184   3HG2  VAL  24          2HG3      VAL  24   2.645   7.167  -0.477
  185    H    ALA  25           H        ALA  25   5.248   4.121   2.043
  186    HA   ALA  25           HA       ALA  25   6.273   6.784   2.761
  187   1HB   ALA  25          1HB       ALA  25   6.377   4.548   4.742
  188   2HB   ALA  25          2HB       ALA  25   6.450   6.291   5.011
  189   3HB   ALA  25          3HB       ALA  25   4.918   5.528   4.584
  190    H    CYS  26           H        CYS  26   6.982   3.303   2.661
  191    HA   CYS  26           HA       CYS  26   9.817   3.966   2.218
  192   1HB   CYS  26          1HB       CYS  26  10.406   1.850   3.131
  193   2HB   CYS  26          2HB       CYS  26   9.201   2.533   4.219
  194    H    GLU  27           H        GLU  27   7.034   2.920   0.680
  195    HA   GLU  27           HA       GLU  27   6.613   2.157  -1.423
  196   1HB   GLU  27          1HB       GLU  27   9.538   2.248  -2.077
  197   2HB   GLU  27          2HB       GLU  27   8.159   2.569  -3.120
  198   1HG   GLU  27          1HG       GLU  27   7.775   4.680  -2.097
  199   2HG   GLU  27          2HG       GLU  27   8.948   4.342  -0.825
  200    H    THR  28           H        THR  28   6.843   0.266   0.540
  201    HA   THR  28           HA       THR  28   8.575  -1.870  -0.367
  202    HB   THR  28           HB       THR  28   6.971  -1.332   2.022
  203    HG1  THR  28           1HG      THR  28   9.270  -2.911   1.430
  204   1HG2  THR  28          1HG2      THR  28   6.972  -4.072   0.780
  205   2HG2  THR  28          2HG2      THR  28   5.612  -3.159   1.435
  206   3HG2  THR  28          3HG2      THR  28   6.823  -3.837   2.521
  207    HA   PRO  29           HA       PRO  29   5.681  -3.809  -3.060
  208   1HB   PRO  29          1HB       PRO  29   6.638  -6.347  -2.971
  209   2HB   PRO  29          2HB       PRO  29   7.456  -5.043  -3.837
  210   1HG   PRO  29          1HG       PRO  29   8.031  -6.168  -1.124
  211   2HG   PRO  29          2HG       PRO  29   9.164  -5.716  -2.410
  212   1HD   PRO  29          1HD       PRO  29   8.673  -4.123  -0.277
  213   2HD   PRO  29          2HD       PRO  29   9.068  -3.475  -1.882
  214    H    LYS  30           H        LYS  30   3.645  -3.984  -2.315
  215    HA   LYS  30           HA       LYS  30   2.779  -5.035   0.083
  216   1HB   LYS  30          1HB       LYS  30   1.277  -3.730  -1.237
  217   2HB   LYS  30          2HB       LYS  30   1.385  -4.853  -2.585
  218   1HG   LYS  30          1HG       LYS  30   0.415  -6.551  -0.835
  219   2HG   LYS  30          2HG       LYS  30  -0.148  -5.075  -0.047
  220   1HD   LYS  30          1HD       LYS  30  -0.631  -5.138  -2.932
  221   2HD   LYS  30          2HD       LYS  30  -1.467  -6.412  -2.040
  222   1HE   LYS  30          1HE       LYS  30  -2.371  -4.688  -0.512
  223   2HE   LYS  30          2HE       LYS  30  -1.605  -3.447  -1.502
  224   1HZ   LYS  30          1HZ       LYS  30  -3.549  -3.438  -2.576
  225   2HZ   LYS  30          2HZ       LYS  30  -4.019  -4.950  -1.980
  226   3HZ   LYS  30          3HZ       LYS  30  -2.997  -4.851  -3.324
  227    HA   PRO  31           HA       PRO  31   3.280  -9.397  -0.237
  228   1HB   PRO  31          1HB       PRO  31   1.430 -10.175   1.590
  229   2HB   PRO  31          2HB       PRO  31   2.977  -9.448   2.039
  230   1HG   PRO  31          1HG       PRO  31   0.273  -8.178   1.838
  231   2HG   PRO  31          2HG       PRO  31   1.515  -7.974   3.087
  232   1HD   PRO  31          1HD       PRO  31   1.136  -6.172   1.102
  233   2HD   PRO  31          2HD       PRO  31   2.732  -6.488   1.813
  Start of MODEL    6
    1   1H    GLY   0          1H        GLY   0 -17.389  10.135   5.642
    2   1HA   GLY   0          1HA       GLY   0 -19.632   8.215   5.682
    3   2HA   GLY   0          2HA       GLY   0 -18.442   8.193   4.387
    4    H    HIS   1           H        HIS   1 -18.732   5.889   5.629
    5    HA   HIS   1           HA       HIS   1 -17.338   5.419   7.992
    6   1HB   HIS   1          1HB       HIS   1 -17.253   3.104   7.329
    7   2HB   HIS   1          2HB       HIS   1 -18.797   3.772   6.806
    8    HD1  HIS   1           HD1      HIS   1 -16.081   1.777   5.611
    9    HD2  HIS   1           HD2      HIS   1 -18.640   4.579   3.917
   10    HE1  HIS   1           HE1      HIS   1 -15.961   1.384   3.130
   11    H    MET   2           H        MET   2 -15.259   4.131   8.138
   12    HA   MET   2           HA       MET   2 -13.252   5.370   6.377
   13   1HB   MET   2          1HB       MET   2 -12.976   4.392   9.224
   14   2HB   MET   2          2HB       MET   2 -11.660   5.034   8.250
   15   1HG   MET   2          1HG       MET   2 -14.123   6.657   8.724
   16   2HG   MET   2          2HG       MET   2 -12.857   6.567   9.945
   17   1HE   MET   2          1HE       MET   2 -10.789   9.430   9.033
   18   2HE   MET   2          2HE       MET   2 -12.387   9.333   9.773
   19   3HE   MET   2          3HE       MET   2 -11.164   8.120  10.154
   20    H    VAL   3           H        VAL   3 -11.361   4.104   5.846
   21    HA   VAL   3           HA       VAL   3 -12.060   1.348   5.280
   22    HB   VAL   3           HB       VAL   3  -9.554   2.869   4.552
   23   1HG1  VAL   3          1HG1      VAL   3 -10.471   0.575   2.946
   24   2HG1  VAL   3          2HG1      VAL   3  -8.839   1.065   3.399
   25   3HG1  VAL   3          3HG1      VAL   3  -9.850   0.191   4.550
   26   1HG2  VAL   3          1HG2      VAL   3 -10.575   3.695   2.723
   27   2HG2  VAL   3          2HG2      VAL   3 -11.549   2.245   2.482
   28   3HG2  VAL   3          3HG2      VAL   3 -12.044   3.454   3.668
   29    H    ILE   4           H        ILE   4 -11.357  -0.382   6.358
   30    HA   ILE   4           HA       ILE   4  -9.256   0.014   8.383
   31    HB   ILE   4           HB       ILE   4 -11.643  -1.814   8.351
   32   1HG1  ILE   4          1HG1      ILE   4 -12.034   0.388   9.278
   33   2HG1  ILE   4          2HG1      ILE   4 -12.009  -0.785  10.589
   34   1HG2  ILE   4          1HG2      ILE   4  -9.111  -2.053   9.936
   35   2HG2  ILE   4          2HG2      ILE   4 -10.644  -2.659  10.562
   36   3HG2  ILE   4          3HG2      ILE   4  -9.991  -3.301   9.054
   37   1HD1  ILE   4          1HD1      ILE   4 -10.274   1.496  10.078
   38   2HD1  ILE   4          2HD1      ILE   4 -10.628   0.648  11.583
   39   3HD1  ILE   4          3HD1      ILE   4  -9.403   0.017  10.483
   40    H    GLY   5           H        GLY   5 -10.175  -1.721   5.564
   41   1HA   GLY   5          1HA       GLY   5  -8.719  -4.082   5.809
   42   2HA   GLY   5          2HA       GLY   5  -9.067  -3.272   4.288
   43    H    THR   6           H        THR   6  -7.600  -0.842   5.296
   44    HA   THR   6           HA       THR   6  -5.271  -0.963   3.989
   45    HB   THR   6           HB       THR   6  -4.290   0.650   5.623
   46    HG1  THR   6           1HG      THR   6  -6.375  -0.356   7.155
   47   1HG2  THR   6          1HG2      THR   6  -6.736   2.000   5.521
   48   2HG2  THR   6          2HG2      THR   6  -6.745   0.916   4.129
   49   3HG2  THR   6          3HG2      THR   6  -5.431   2.073   4.339
   50    H    TRP   7           H        TRP   7  -3.208  -1.715   4.239
   51    HA   TRP   7           HA       TRP   7  -2.823  -3.691   6.374
   52   1HB   TRP   7          1HB       TRP   7  -0.834  -4.353   4.849
   53   2HB   TRP   7          2HB       TRP   7  -2.466  -4.761   4.329
   54    HD1  TRP   7           1HD      TRP   7  -3.569  -2.876   2.524
   55    HE1  TRP   7           1HE      TRP   7  -2.387  -1.727   0.546
   56    HE3  TRP   7           3HE      TRP   7   1.286  -3.552   3.976
   57    HZ2  TRP   7           2HZ      TRP   7   0.253  -1.181  -0.288
   58    HZ3  TRP   7           3HZ      TRP   7   3.080  -2.687   2.532
   59    HH2  TRP   7           2HH      TRP   7   2.572  -1.527   0.444
   60    H    ASP   8           H        ASP   8  -1.164  -3.571   7.808
   61    HA   ASP   8           HA       ASP   8   0.280  -1.036   7.906
   62   1HB   ASP   8          1HB       ASP   8   0.342  -3.200  10.003
   63   2HB   ASP   8          2HB       ASP   8   0.677  -1.482  10.197
   64    H    CYS   9           H        CYS   9   2.383  -0.836   7.472
   65    HA   CYS   9           HA       CYS   9   3.850  -2.873   6.237
   66   1HB   CYS   9          1HB       CYS   9   4.177  -0.288   6.206
   67   2HB   CYS   9          2HB       CYS   9   5.194  -0.570   7.617
   68    H    ASP  10           H        ASP  10   6.144  -3.463   7.052
   69    HA   ASP  10           HA       ASP  10   6.121  -4.059   9.924
   70   1HB   ASP  10          1HB       ASP  10   5.282  -5.999   8.406
   71   2HB   ASP  10          2HB       ASP  10   6.979  -6.169   7.966
   72    H    THR  11           H        THR  11   7.625  -2.386   7.772
   73    HA   THR  11           HA       THR  11  10.304  -3.044   8.794
   74    HB   THR  11           HB       THR  11   9.466  -3.169   6.065
   75    HG1  THR  11           1HG      THR  11  10.953  -4.614   6.752
   76   1HG2  THR  11          1HG2      THR  11  11.191  -1.722   5.052
   77   2HG2  THR  11          2HG2      THR  11  11.538  -1.049   6.645
   78   3HG2  THR  11          3HG3      THR  11   9.957  -0.796   5.906
   79    H    CYS  12           H        CYS  12   8.111  -0.613   7.501
   80    HA   CYS  12           HA       CYS  12   9.827   1.477   8.672
   81   1HB   CYS  12          1HB       CYS  12   9.330   2.913   6.946
   82   2HB   CYS  12          2HB       CYS  12   9.267   1.376   6.090
   83    H    LEU  13           H        LEU  13   6.970  -0.190   9.035
   84    HA   LEU  13           HA       LEU  13   5.138   0.074  10.355
   85   1HB   LEU  13          1HB       LEU  13   7.105   1.968  11.532
   86   2HB   LEU  13          2HB       LEU  13   5.430   2.066  12.072
   87    HG   LEU  13           HG       LEU  13   5.625  -0.418  12.608
   88   1HD1  LEU  13          1HD1      LEU  13   7.662  -1.467  12.668
   89   2HD1  LEU  13          2HD1      LEU  13   8.564   0.046  12.764
   90   3HD1  LEU  13          3HD1      LEU  13   7.854  -0.460  11.232
   91   1HD2  LEU  13          1HD2      LEU  13   6.114   1.844  14.087
   92   2HD2  LEU  13          2HD2      LEU  13   7.541   0.857  14.400
   93   3HD2  LEU  13          3HD2      LEU  13   5.932   0.212  14.730
   94    H    VAL  14           H        VAL  14   4.053   0.754   8.363
   95    HA   VAL  14           HA       VAL  14   2.764   3.316   8.743
   96    HB   VAL  14           HB       VAL  14   4.391   2.733   6.272
   97   1HG1  VAL  14          1HG1      VAL  14   1.867   4.055   6.448
   98   2HG1  VAL  14          2HG1      VAL  14   3.114   5.238   6.048
   99   3HG1  VAL  14          3HG1      VAL  14   2.896   3.810   5.036
  100   1HG2  VAL  14          1HG2      VAL  14   5.601   3.806   8.087
  101   2HG2  VAL  14          2HG2      VAL  14   5.371   4.933   6.750
  102   3HG2  VAL  14          3HG2      VAL  14   4.365   5.059   8.193
  103    H    GLN  15           H        GLN  15   0.671   3.189   8.215
  104    HA   GLN  15           HA       GLN  15  -0.329   0.724   7.081
  105   1HB   GLN  15          1HB       GLN  15  -1.684   3.178   8.197
  106   2HB   GLN  15          2HB       GLN  15  -2.574   1.834   7.493
  107   1HG   GLN  15          1HG       GLN  15  -2.645   1.261   9.695
  108   2HG   GLN  15          2HG       GLN  15  -1.174   0.424   9.202
  109   1HE2  GLN  15          2HE2      GLN  15   0.686   0.902  10.189
  110   2HE2  GLN  15          1HE2      GLN  15   0.896   2.163  11.350
  111    H    ASN  16           H        ASN  16  -1.545   0.521   5.196
  112    HA   ASN  16           HA       ASN  16  -1.723   2.838   3.424
  113   1HB   ASN  16          1HB       ASN  16  -0.712   0.296   2.224
  114   2HB   ASN  16          2HB       ASN  16  -0.468   1.959   1.697
  115   1HD2  ASN  16          2HD2      ASN  16   0.262  -0.116   4.482
  116   2HD2  ASN  16          1HD2      ASN  16   1.878   0.456   4.699
  117    H    LYS  17           H        LYS  17  -3.168   2.506   1.611
  118    HA   LYS  17           HA       LYS  17  -5.499   1.046   2.358
  119   1HB   LYS  17          1HB       LYS  17  -6.543   2.041   0.514
  120   2HB   LYS  17          2HB       LYS  17  -5.346   3.231   1.008
  121   1HG   LYS  17          1HG       LYS  17  -3.921   2.694  -0.790
  122   2HG   LYS  17          2HG       LYS  17  -4.824   1.225  -1.164
  123   1HD   LYS  17          1HD       LYS  17  -5.341   2.972  -2.773
  124   2HD   LYS  17          2HD       LYS  17  -6.763   2.594  -1.797
  125   1HE   LYS  17          1HE       LYS  17  -6.401   4.551  -0.434
  126   2HE   LYS  17          2HE       LYS  17  -4.886   4.895  -1.268
  127   1HZ   LYS  17          1HZ       LYS  17  -7.602   5.448  -2.077
  128   2HZ   LYS  17          2HZ       LYS  17  -6.636   4.794  -3.302
  129   3HZ   LYS  17          3HZ       LYS  17  -6.161   6.218  -2.520
  130    HA   PRO  18           HA       PRO  18  -4.735  -2.844   0.457
  131   1HB   PRO  18          1HB       PRO  18  -7.287  -3.626  -0.038
  132   2HB   PRO  18          2HB       PRO  18  -6.588  -3.599   1.586
  133   1HG   PRO  18          1HG       PRO  18  -8.375  -1.597   0.260
  134   2HG   PRO  18          2HG       PRO  18  -8.434  -2.225   1.917
  135   1HD   PRO  18          1HD       PRO  18  -7.360   0.185   1.311
  136   2HD   PRO  18          2HD       PRO  18  -6.758  -0.821   2.644
  137    H    GLU  19           H        GLU  19  -6.145  -0.228  -1.194
  138    HA   GLU  19           HA       GLU  19  -6.460  -1.633  -3.714
  139   1HB   GLU  19          1HB       GLU  19  -6.563   1.342  -3.518
  140   2HB   GLU  19          2HB       GLU  19  -7.525   0.254  -4.508
  141   1HG   GLU  19          1HG       GLU  19  -8.678  -0.496  -2.426
  142   2HG   GLU  19          2HG       GLU  19  -7.816   0.776  -1.561
  143    H    ALA  20           H        ALA  20  -3.926  -0.315  -2.021
  144    HA   ALA  20           HA       ALA  20  -2.475   0.727  -4.309
  145   1HB   ALA  20          1HB       ALA  20  -1.594   0.358  -1.448
  146   2HB   ALA  20          2HB       ALA  20  -0.699   1.212  -2.705
  147   3HB   ALA  20          3HB       ALA  20  -2.251   1.838  -2.148
  148    H    ILE  21           H        ILE  21  -0.100  -0.033  -4.474
  149    HA   ILE  21           HA       ILE  21  -0.091  -2.982  -4.466
  150    HB   ILE  21           HB       ILE  21   1.301  -1.082  -6.356
  151   1HG1  ILE  21          1HG1      ILE  21  -0.729  -3.207  -7.025
  152   2HG1  ILE  21          2HG1      ILE  21  -1.208  -1.567  -6.603
  153   1HG2  ILE  21          1HG2      ILE  21   1.471  -4.072  -6.080
  154   2HG2  ILE  21          2HG2      ILE  21   1.956  -3.208  -7.538
  155   3HG2  ILE  21          3HG2      ILE  21   2.784  -2.898  -6.013
  156   1HD1  ILE  21          1HD1      ILE  21   0.678  -1.130  -8.520
  157   2HD1  ILE  21          2HD1      ILE  21  -0.090  -2.617  -9.079
  158   3HD1  ILE  21          3HD1      ILE  21  -1.064  -1.176  -8.788
  159    H    LYS  22           H        LYS  22   1.363  -0.205  -3.204
  160    HA   LYS  22           HA       LYS  22   3.379  -1.802  -1.871
  161   1HB   LYS  22          1HB       LYS  22   5.213  -0.227  -2.481
  162   2HB   LYS  22          2HB       LYS  22   4.617  -1.177  -3.836
  163   1HG   LYS  22          1HG       LYS  22   3.182   0.805  -4.441
  164   2HG   LYS  22          2HG       LYS  22   4.092   1.720  -3.237
  165   1HD   LYS  22          1HD       LYS  22   5.005   2.040  -5.486
  166   2HD   LYS  22          2HD       LYS  22   6.168   1.240  -4.426
  167   1HE   LYS  22          1HE       LYS  22   5.887   0.320  -6.798
  168   2HE   LYS  22          2HE       LYS  22   5.863  -0.832  -5.463
  169   1HZ   LYS  22          1HZ       LYS  22   3.332   0.301  -6.440
  170   2HZ   LYS  22          2HZ       LYS  22   3.620  -1.188  -5.692
  171   3HZ   LYS  22          3HZ       LYS  22   4.067  -0.953  -7.306
  172    H    CYS  23           H        CYS  23   4.793  -0.110  -0.492
  173    HA   CYS  23           HA       CYS  23   2.900   1.141   1.256
  174   1HB   CYS  23          1HB       CYS  23   5.232  -0.016   1.753
  175   2HB   CYS  23          2HB       CYS  23   5.836   1.622   1.520
  176    H    VAL  24           H        VAL  24   2.815   3.350   1.842
  177    HA   VAL  24           HA       VAL  24   3.548   5.146  -0.358
  178    HB   VAL  24           HB       VAL  24   1.159   5.037   0.406
  179   1HG1  VAL  24          1HG1      VAL  24   2.063   4.989   2.898
  180   2HG1  VAL  24          2HG1      VAL  24   1.848   6.733   2.743
  181   3HG1  VAL  24          3HG1      VAL  24   0.480   5.649   2.492
  182   1HG2  VAL  24          1HG2      VAL  24   2.207   7.794   0.902
  183   2HG2  VAL  24          2HG2      VAL  24   2.400   7.046  -0.682
  184   3HG2  VAL  24          2HG3      VAL  24   0.787   7.283  -0.010
  185    H    ALA  25           H        ALA  25   5.289   4.156   1.938
  186    HA   ALA  25           HA       ALA  25   6.290   6.809   2.694
  187   1HB   ALA  25          1HB       ALA  25   6.819   5.905   4.968
  188   2HB   ALA  25          2HB       ALA  25   5.099   6.116   4.636
  189   3HB   ALA  25          3HB       ALA  25   5.819   4.506   4.575
  190    H    CYS  26           H        CYS  26   6.961   3.320   2.625
  191    HA   CYS  26           HA       CYS  26   9.806   3.948   2.195
  192   1HB   CYS  26          1HB       CYS  26  10.370   1.846   3.136
  193   2HB   CYS  26          2HB       CYS  26   9.140   2.526   4.197
  194    H    GLU  27           H        GLU  27   7.010   2.872   0.670
  195    HA   GLU  27           HA       GLU  27   6.611   2.163  -1.459
  196   1HB   GLU  27          1HB       GLU  27   9.578   2.164  -1.969
  197   2HB   GLU  27          2HB       GLU  27   8.273   2.375  -3.128
  198   1HG   GLU  27          1HG       GLU  27   8.908   4.532  -2.946
  199   2HG   GLU  27          2HG       GLU  27   7.775   4.484  -1.596
  200    H    THR  28           H        THR  28   6.945   0.326   0.681
  201    HA   THR  28           HA       THR  28   8.517  -1.908  -0.158
  202    HB   THR  28           HB       THR  28   6.770  -1.273   2.100
  203    HG1  THR  28           1HG      THR  28   8.793  -3.239   2.050
  204   1HG2  THR  28          1HG2      THR  28   5.383  -3.055   1.396
  205   2HG2  THR  28          2HG2      THR  28   6.443  -3.740   2.629
  206   3HG2  THR  28          3HG2      THR  28   6.763  -4.043   0.922
  207    HA   PRO  29           HA       PRO  29   5.761  -3.785  -3.032
  208   1HB   PRO  29          1HB       PRO  29   6.608  -6.356  -2.835
  209   2HB   PRO  29          2HB       PRO  29   7.540  -5.098  -3.655
  210   1HG   PRO  29          1HG       PRO  29   7.866  -6.197  -0.890
  211   2HG   PRO  29          2HG       PRO  29   9.109  -5.810  -2.094
  212   1HD   PRO  29          1HD       PRO  29   8.521  -4.164  -0.026
  213   2HD   PRO  29          2HD       PRO  29   9.060  -3.559  -1.606
  214    H    LYS  30           H        LYS  30   3.668  -3.889  -2.460
  215    HA   LYS  30           HA       LYS  30   2.551  -4.807  -0.128
  216   1HB   LYS  30          1HB       LYS  30   1.210  -3.582  -1.685
  217   2HB   LYS  30          2HB       LYS  30   1.430  -4.803  -2.930
  218   1HG   LYS  30          1HG       LYS  30   0.257  -6.370  -1.210
  219   2HG   LYS  30          2HG       LYS  30  -0.319  -4.852  -0.517
  220   1HD   LYS  30          1HD       LYS  30  -0.766  -4.514  -3.211
  221   2HD   LYS  30          2HD       LYS  30  -1.127  -6.223  -2.962
  222   1HE   LYS  30          1HE       LYS  30  -2.776  -5.734  -1.340
  223   2HE   LYS  30          2HE       LYS  30  -2.248  -4.058  -1.201
  224   1HZ   LYS  30          1HZ       LYS  30  -3.600  -3.477  -2.839
  225   2HZ   LYS  30          2HZ       LYS  30  -4.246  -5.041  -2.825
  226   3HZ   LYS  30          3HZ       LYS  30  -2.974  -4.659  -3.874
  227    HA   PRO  31           HA       PRO  31   3.033  -9.184  -0.115
  228   1HB   PRO  31          1HB       PRO  31   1.004  -9.831   1.567
  229   2HB   PRO  31          2HB       PRO  31   2.507  -9.083   2.119
  230   1HG   PRO  31          1HG       PRO  31  -0.148  -7.815   1.570
  231   2HG   PRO  31          2HG       PRO  31   0.967  -7.535   2.921
  232   1HD   PRO  31          1HD       PRO  31   0.805  -5.866   0.794
  233   2HD   PRO  31          2HD       PRO  31   2.320  -6.142   1.678
  Start of MODEL    7
    1   1H    GLY   0          1H        GLY   0 -17.901   4.674   2.140
    2   1HA   GLY   0          1HA       GLY   0 -19.831   6.679   1.484
    3   2HA   GLY   0          2HA       GLY   0 -19.946   6.199   3.171
    4    H    HIS   1           H        HIS   1 -17.770   6.178   4.345
    5    HA   HIS   1           HA       HIS   1 -16.158   8.481   3.461
    6   1HB   HIS   1          1HB       HIS   1 -17.092   7.801   6.254
    7   2HB   HIS   1          2HB       HIS   1 -15.853   9.004   5.905
    8    HD1  HIS   1           HD1      HIS   1 -16.763  11.290   5.910
    9    HD2  HIS   1           HD2      HIS   1 -19.578   8.524   4.609
   10    HE1  HIS   1           HE1      HIS   1 -18.843  12.620   5.431
   11    H    MET   2           H        MET   2 -16.257   5.289   4.780
   12    HA   MET   2           HA       MET   2 -13.314   5.217   4.739
   13   1HB   MET   2          1HB       MET   2 -13.521   3.455   6.564
   14   2HB   MET   2          2HB       MET   2 -13.837   5.117   7.041
   15   1HG   MET   2          1HG       MET   2 -16.065   3.284   6.250
   16   2HG   MET   2          2HG       MET   2 -15.403   3.272   7.883
   17   1HE   MET   2          1HE       MET   2 -18.969   5.241   7.560
   18   2HE   MET   2          2HE       MET   2 -18.388   4.614   6.018
   19   3HE   MET   2          3HE       MET   2 -18.290   3.615   7.469
   20    H    VAL   3           H        VAL   3 -12.477   2.933   4.530
   21    HA   VAL   3           HA       VAL   3 -14.199   1.428   2.669
   22    HB   VAL   3           HB       VAL   3 -11.210   1.181   2.691
   23   1HG1  VAL   3          1HG1      VAL   3 -12.579  -0.452   1.450
   24   2HG1  VAL   3          2HG1      VAL   3 -13.255   0.869   0.495
   25   3HG1  VAL   3          3HG1      VAL   3 -11.534   0.496   0.393
   26   1HG2  VAL   3          1HG2      VAL   3 -11.811   3.595   2.496
   27   2HG2  VAL   3          2HG2      VAL   3 -10.985   2.940   1.081
   28   3HG2  VAL   3          3HG2      VAL   3 -12.729   3.196   1.044
   29    H    ILE   4           H        ILE   4 -12.878   1.364   5.711
   30    HA   ILE   4           HA       ILE   4 -12.491  -0.252   7.272
   31    HB   ILE   4           HB       ILE   4 -14.261  -2.081   5.681
   32   1HG1  ILE   4          1HG1      ILE   4 -15.077   0.354   7.273
   33   2HG1  ILE   4          2HG1      ILE   4 -15.399   0.034   5.573
   34   1HG2  ILE   4          1HG2      ILE   4 -14.639  -1.723   8.566
   35   2HG2  ILE   4          2HG2      ILE   4 -14.539  -3.199   7.608
   36   3HG2  ILE   4          3HG2      ILE   4 -13.064  -2.368   8.103
   37   1HD1  ILE   4          1HD1      ILE   4 -16.758  -0.980   7.988
   38   2HD1  ILE   4          2HD1      ILE   4 -17.414  -0.535   6.413
   39   3HD1  ILE   4          3HD1      ILE   4 -16.609  -2.089   6.625
   40    H    GLY   5           H        GLY   5 -10.578  -0.154   5.192
   41   1HA   GLY   5          1HA       GLY   5  -9.486  -2.831   5.460
   42   2HA   GLY   5          2HA       GLY   5  -9.828  -2.327   3.811
   43    H    THR   6           H        THR   6  -7.315  -2.839   5.539
   44    HA   THR   6           HA       THR   6  -5.598  -1.098   4.177
   45    HB   THR   6           HB       THR   6  -4.826   0.043   6.470
   46    HG1  THR   6           1HG      THR   6  -6.400  -0.543   7.848
   47   1HG2  THR   6          1HG2      THR   6  -6.197   0.854   4.133
   48   2HG2  THR   6          2HG2      THR   6  -5.234   1.846   5.229
   49   3HG2  THR   6          3HG2      THR   6  -6.967   1.665   5.496
   50    H    TRP   7           H        TRP   7  -3.400  -1.513   4.603
   51    HA   TRP   7           HA       TRP   7  -2.903  -3.714   6.498
   52   1HB   TRP   7          1HB       TRP   7  -1.130  -4.470   4.842
   53   2HB   TRP   7          2HB       TRP   7  -2.802  -4.709   4.344
   54    HD1  TRP   7           1HD      TRP   7  -3.771  -2.780   2.568
   55    HE1  TRP   7           1HE      TRP   7  -2.527  -1.611   0.642
   56    HE3  TRP   7           3HE      TRP   7   1.041  -3.655   4.058
   57    HZ2  TRP   7           2HZ      TRP   7   0.140  -1.125  -0.143
   58    HZ3  TRP   7           3HZ      TRP   7   2.880  -2.806   2.664
   59    HH2  TRP   7           2HH      TRP   7   2.438  -1.567   0.606
   60    H    ASP   8           H        ASP   8  -1.159  -3.533   7.802
   61    HA   ASP   8           HA       ASP   8   0.270  -0.997   7.749
   62   1HB   ASP   8          1HB       ASP   8   0.771  -3.082   9.830
   63   2HB   ASP   8          2HB       ASP   8   0.735  -1.327   9.988
   64    H    CYS   9           H        CYS   9   2.577  -0.877   7.920
   65    HA   CYS   9           HA       CYS   9   3.892  -2.821   6.236
   66   1HB   CYS   9          1HB       CYS   9   4.218  -0.268   6.181
   67   2HB   CYS   9          2HB       CYS   9   5.228  -0.496   7.606
   68    H    ASP  10           H        ASP  10   6.099  -3.617   6.853
   69    HA   ASP  10           HA       ASP  10   6.196  -4.311   9.715
   70   1HB   ASP  10          1HB       ASP  10   5.484  -6.207   8.219
   71   2HB   ASP  10          2HB       ASP  10   7.066  -6.113   7.450
   72    H    THR  11           H        THR  11   7.678  -2.624   7.346
   73    HA   THR  11           HA       THR  11  10.372  -3.107   8.441
   74    HB   THR  11           HB       THR  11   9.488  -2.237   5.701
   75    HG1  THR  11           1HG      THR  11   9.867  -4.481   6.154
   76   1HG2  THR  11          1HG2      THR  11  12.057  -1.644   7.106
   77   2HG2  THR  11          2HG2      THR  11  11.140  -0.651   5.974
   78   3HG2  THR  11          3HG3      THR  11  12.085  -2.017   5.383
   79    H    CYS  12           H        CYS  12   8.388  -0.512   7.003
   80    HA   CYS  12           HA       CYS  12   9.882   1.447   8.589
   81   1HB   CYS  12          1HB       CYS  12   9.310   3.047   7.030
   82   2HB   CYS  12          2HB       CYS  12   9.342   1.609   6.014
   83    H    LEU  13           H        LEU  13   7.027  -0.310   8.686
   84    HA   LEU  13           HA       LEU  13   5.198  -0.255  10.035
   85   1HB   LEU  13          1HB       LEU  13   6.341   2.013  11.597
   86   2HB   LEU  13          2HB       LEU  13   5.417   0.620  12.156
   87    HG   LEU  13           HG       LEU  13   8.342   0.799  11.504
   88   1HD1  LEU  13          1HD1      LEU  13   6.676   0.493  13.886
   89   2HD1  LEU  13          2HD1      LEU  13   8.331   1.080  13.721
   90   3HD1  LEU  13          3HD1      LEU  13   8.014  -0.654  13.789
   91   1HD2  LEU  13          1HD2      LEU  13   8.242  -1.740  12.013
   92   2HD2  LEU  13          2HD2      LEU  13   7.869  -1.173  10.385
   93   3HD2  LEU  13          3HD2      LEU  13   6.564  -1.607  11.489
   94    H    VAL  14           H        VAL  14   3.795   0.513   8.455
   95    HA   VAL  14           HA       VAL  14   2.588   3.040   9.017
   96    HB   VAL  14           HB       VAL  14   4.677   3.195   7.212
   97   1HG1  VAL  14          1HG1      VAL  14   3.794   3.480   5.034
   98   2HG1  VAL  14          2HG1      VAL  14   3.175   1.934   5.619
   99   3HG1  VAL  14          3HG1      VAL  14   2.133   3.357   5.614
  100   1HG2  VAL  14          1HG2      VAL  14   2.328   5.062   7.155
  101   2HG2  VAL  14          2HG2      VAL  14   3.405   4.968   8.548
  102   3HG2  VAL  14          3HG2      VAL  14   4.042   5.438   6.972
  103    H    GLN  15           H        GLN  15   0.514   3.170   8.236
  104    HA   GLN  15           HA       GLN  15  -0.556   0.715   7.112
  105   1HB   GLN  15          1HB       GLN  15  -1.953   3.216   8.078
  106   2HB   GLN  15          2HB       GLN  15  -2.757   1.735   7.573
  107   1HG   GLN  15          1HG       GLN  15  -2.757   1.437   9.825
  108   2HG   GLN  15          2HG       GLN  15  -1.226   0.664   9.418
  109   1HE2  GLN  15          2HE2      GLN  15  -2.764   3.137  11.164
  110   2HE2  GLN  15          1HE2      GLN  15  -1.349   3.883  11.818
  111    H    ASN  16           H        ASN  16  -1.588   0.523   5.157
  112    HA   ASN  16           HA       ASN  16  -1.727   2.879   3.425
  113   1HB   ASN  16          1HB       ASN  16  -0.688   0.351   2.224
  114   2HB   ASN  16          2HB       ASN  16  -0.413   2.020   1.734
  115   1HD2  ASN  16          2HD2      ASN  16   0.124   0.060   4.648
  116   2HD2  ASN  16          1HD2      ASN  16   1.763   0.553   4.881
  117    H    LYS  17           H        LYS  17  -3.212   2.697   1.694
  118    HA   LYS  17           HA       LYS  17  -5.552   1.254   2.287
  119   1HB   LYS  17          1HB       LYS  17  -6.484   2.239   0.385
  120   2HB   LYS  17          2HB       LYS  17  -5.255   3.397   0.879
  121   1HG   LYS  17          1HG       LYS  17  -3.792   2.728  -0.849
  122   2HG   LYS  17          2HG       LYS  17  -4.757   1.294  -1.208
  123   1HD   LYS  17          1HD       LYS  17  -5.194   2.932  -2.900
  124   2HD   LYS  17          2HD       LYS  17  -6.626   2.807  -1.876
  125   1HE   LYS  17          1HE       LYS  17  -6.345   5.103  -2.138
  126   2HE   LYS  17          2HE       LYS  17  -5.604   4.776  -0.573
  127   1HZ   LYS  17          1HZ       LYS  17  -4.329   5.475  -3.122
  128   2HZ   LYS  17          2HZ       LYS  17  -3.470   4.523  -2.018
  129   3HZ   LYS  17          3HZ       LYS  17  -4.014   6.060  -1.565
  130    HA   PRO  18           HA       PRO  18  -4.775  -2.713   0.548
  131   1HB   PRO  18          1HB       PRO  18  -7.331  -3.488   0.062
  132   2HB   PRO  18          2HB       PRO  18  -6.643  -3.414   1.688
  133   1HG   PRO  18          1HG       PRO  18  -8.403  -1.441   0.285
  134   2HG   PRO  18          2HG       PRO  18  -8.478  -2.013   1.962
  135   1HD   PRO  18          1HD       PRO  18  -7.378   0.366   1.283
  136   2HD   PRO  18          2HD       PRO  18  -6.794  -0.600   2.654
  137    H    GLU  19           H        GLU  19  -6.147  -0.139  -1.199
  138    HA   GLU  19           HA       GLU  19  -6.461  -1.624  -3.672
  139   1HB   GLU  19          1HB       GLU  19  -6.544   1.364  -3.524
  140   2HB   GLU  19          2HB       GLU  19  -7.460   0.275  -4.555
  141   1HG   GLU  19          1HG       GLU  19  -7.876   0.723  -1.610
  142   2HG   GLU  19          2HG       GLU  19  -8.907   1.297  -2.918
  143    H    ALA  20           H        ALA  20  -3.923  -0.278  -2.007
  144    HA   ALA  20           HA       ALA  20  -2.446   0.666  -4.321
  145   1HB   ALA  20          1HB       ALA  20  -0.657   1.147  -2.697
  146   2HB   ALA  20          2HB       ALA  20  -2.195   1.885  -2.247
  147   3HB   ALA  20          3HB       ALA  20  -1.644   0.426  -1.425
  148    H    ILE  21           H        ILE  21  -0.102  -0.125  -4.489
  149    HA   ILE  21           HA       ILE  21  -0.119  -3.068  -4.369
  150    HB   ILE  21           HB       ILE  21   1.348  -1.244  -6.276
  151   1HG1  ILE  21          1HG1      ILE  21  -0.074  -2.582  -7.945
  152   2HG1  ILE  21          2HG1      ILE  21  -1.024  -3.083  -6.550
  153   1HG2  ILE  21          1HG2      ILE  21   2.840  -2.965  -6.147
  154   2HG2  ILE  21          2HG2      ILE  21   1.613  -4.139  -5.675
  155   3HG2  ILE  21          3HG2      ILE  21   1.740  -3.625  -7.357
  156   1HD1  ILE  21          1HD1      ILE  21  -2.206  -1.228  -6.713
  157   2HD1  ILE  21          2HD1      ILE  21  -0.750  -0.275  -6.426
  158   3HD1  ILE  21          3HD1      ILE  21  -1.215  -0.701  -8.073
  159    H    LYS  22           H        LYS  22   1.503  -0.206  -3.374
  160    HA   LYS  22           HA       LYS  22   3.425  -1.818  -1.884
  161   1HB   LYS  22          1HB       LYS  22   5.246  -0.162  -2.520
  162   2HB   LYS  22          2HB       LYS  22   4.761  -1.304  -3.767
  163   1HG   LYS  22          1HG       LYS  22   4.849   0.641  -4.965
  164   2HG   LYS  22          2HG       LYS  22   3.149   0.623  -4.489
  165   1HD   LYS  22          1HD       LYS  22   3.540   2.190  -2.740
  166   2HD   LYS  22          2HD       LYS  22   5.290   2.045  -2.917
  167   1HE   LYS  22          1HE       LYS  22   4.825   4.042  -4.001
  168   2HE   LYS  22          2HE       LYS  22   4.880   2.882  -5.327
  169   1HZ   LYS  22          1HZ       LYS  22   2.979   4.338  -5.539
  170   2HZ   LYS  22          2HZ       LYS  22   2.423   3.897  -4.005
  171   3HZ   LYS  22          3HZ       LYS  22   2.459   2.754  -5.252
  172    H    CYS  23           H        CYS  23   4.756  -0.274  -0.404
  173    HA   CYS  23           HA       CYS  23   2.918   1.060   1.278
  174   1HB   CYS  23          1HB       CYS  23   5.297  -0.009   1.744
  175   2HB   CYS  23          2HB       CYS  23   5.842   1.640   1.457
  176    H    VAL  24           H        VAL  24   2.950   3.310   1.916
  177    HA   VAL  24           HA       VAL  24   3.511   5.073  -0.371
  178    HB   VAL  24           HB       VAL  24   1.138   4.844   0.605
  179   1HG1  VAL  24          1HG1      VAL  24   0.625   5.685   2.638
  180   2HG1  VAL  24          2HG1      VAL  24   2.318   5.320   2.974
  181   3HG1  VAL  24          3HG1      VAL  24   1.838   6.960   2.537
  182   1HG2  VAL  24          1HG2      VAL  24   1.583   6.526  -1.000
  183   2HG2  VAL  24          2HG2      VAL  24   0.760   7.329   0.337
  184   3HG2  VAL  24          2HG3      VAL  24   2.507   7.486   0.156
  185    H    ALA  25           H        ALA  25   5.229   4.148   2.043
  186    HA   ALA  25           HA       ALA  25   6.221   6.843   2.681
  187   1HB   ALA  25          1HB       ALA  25   6.269   4.623   4.701
  188   2HB   ALA  25          2HB       ALA  25   6.517   6.351   4.952
  189   3HB   ALA  25          3HB       ALA  25   4.908   5.738   4.570
  190    H    CYS  26           H        CYS  26   6.970   3.368   2.672
  191    HA   CYS  26           HA       CYS  26   9.797   4.048   2.209
  192   1HB   CYS  26          1HB       CYS  26  10.409   1.971   3.164
  193   2HB   CYS  26          2HB       CYS  26   9.155   2.617   4.218
  194    H    GLU  27           H        GLU  27   7.015   2.929   0.696
  195    HA   GLU  27           HA       GLU  27   6.602   2.150  -1.402
  196   1HB   GLU  27          1HB       GLU  27   9.528   2.292  -2.053
  197   2HB   GLU  27          2HB       GLU  27   8.148   2.550  -3.110
  198   1HG   GLU  27          1HG       GLU  27   7.797   4.699  -2.355
  199   2HG   GLU  27          2HG       GLU  27   8.630   4.409  -0.829
  200    H    THR  28           H        THR  28   6.797   0.267   0.529
  201    HA   THR  28           HA       THR  28   8.574  -1.851  -0.362
  202    HB   THR  28           HB       THR  28   7.030  -1.296   2.055
  203    HG1  THR  28           1HG      THR  28   9.458  -1.801   1.479
  204   1HG2  THR  28          1HG2      THR  28   6.974  -4.051   0.847
  205   2HG2  THR  28          2HG2      THR  28   5.633  -3.111   1.498
  206   3HG2  THR  28          3HG2      THR  28   6.846  -3.786   2.585
  207    HA   PRO  29           HA       PRO  29   5.662  -3.865  -2.974
  208   1HB   PRO  29          1HB       PRO  29   6.617  -6.402  -2.834
  209   2HB   PRO  29          2HB       PRO  29   7.431  -5.117  -3.736
  210   1HG   PRO  29          1HG       PRO  29   8.024  -6.181  -1.001
  211   2HG   PRO  29          2HG       PRO  29   9.148  -5.759  -2.306
  212   1HD   PRO  29          1HD       PRO  29   8.673  -4.118  -0.206
  213   2HD   PRO  29          2HD       PRO  29   9.056  -3.507  -1.829
  214    H    LYS  30           H        LYS  30   3.620  -4.123  -2.310
  215    HA   LYS  30           HA       LYS  30   2.804  -5.140   0.162
  216   1HB   LYS  30          1HB       LYS  30   1.305  -3.757  -1.088
  217   2HB   LYS  30          2HB       LYS  30   1.336  -4.856  -2.459
  218   1HG   LYS  30          1HG       LYS  30   0.389  -6.545  -0.653
  219   2HG   LYS  30          2HG       LYS  30  -0.159  -5.042   0.092
  220   1HD   LYS  30          1HD       LYS  30  -0.646  -5.224  -2.796
  221   2HD   LYS  30          2HD       LYS  30  -1.519  -6.413  -1.827
  222   1HE   LYS  30          1HE       LYS  30  -2.339  -4.558  -0.394
  223   2HE   LYS  30          2HE       LYS  30  -1.560  -3.416  -1.487
  224   1HZ   LYS  30          1HZ       LYS  30  -3.546  -3.432  -2.493
  225   2HZ   LYS  30          2HZ       LYS  30  -4.013  -4.912  -1.822
  226   3HZ   LYS  30          3HZ       LYS  30  -3.017  -4.880  -3.189
  227    HA   PRO  31           HA       PRO  31   3.179  -9.504  -0.293
  228   1HB   PRO  31          1HB       PRO  31   1.364 -10.283   1.570
  229   2HB   PRO  31          2HB       PRO  31   2.943  -9.609   1.990
  230   1HG   PRO  31          1HG       PRO  31   0.270  -8.264   1.908
  231   2HG   PRO  31          2HG       PRO  31   1.555  -8.127   3.123
  232   1HD   PRO  31          1HD       PRO  31   1.165  -6.261   1.199
  233   2HD   PRO  31          2HD       PRO  31   2.772  -6.639   1.852
  Start of MODEL    8
    1   1H    GLY   0          1H        GLY   0 -20.014   7.110  13.173
    2   1HA   GLY   0          1HA       GLY   0 -20.919   6.437  10.667
    3   2HA   GLY   0          2HA       GLY   0 -19.281   6.981  10.996
    4    H    HIS   1           H        HIS   1 -18.757   5.583   9.154
    5    HA   HIS   1           HA       HIS   1 -18.405   2.792  10.029
    6   1HB   HIS   1          1HB       HIS   1 -18.917   3.722   7.197
    7   2HB   HIS   1          2HB       HIS   1 -18.684   2.056   7.718
    8    HD1  HIS   1           HD1      HIS   1 -21.295   3.848   6.517
    9    HD2  HIS   1           HD2      HIS   1 -20.811   1.833  10.118
   10    HE1  HIS   1           HE1      HIS   1 -23.624   3.373   7.340
   11    H    MET   2           H        MET   2 -16.345   2.238  10.220
   12    HA   MET   2           HA       MET   2 -14.346   3.706   8.628
   13   1HB   MET   2          1HB       MET   2 -13.843   4.287  10.820
   14   2HB   MET   2          2HB       MET   2 -14.311   2.714  11.453
   15   1HG   MET   2          1HG       MET   2 -12.309   1.722  10.817
   16   2HG   MET   2          2HG       MET   2 -11.931   3.003   9.667
   17   1HE   MET   2          1HE       MET   2  -9.793   5.359  11.496
   18   2HE   MET   2          2HE       MET   2  -9.589   4.017  10.371
   19   3HE   MET   2          3HE       MET   2 -10.908   5.165  10.144
   20    H    VAL   3           H        VAL   3 -13.527   2.506   7.052
   21    HA   VAL   3           HA       VAL   3 -13.767  -0.332   6.974
   22    HB   VAL   3           HB       VAL   3 -13.657   1.306   4.989
   23   1HG1  VAL   3          1HG1      VAL   3 -11.264   2.000   5.995
   24   2HG1  VAL   3          2HG1      VAL   3 -10.760   0.764   4.840
   25   3HG1  VAL   3          3HG1      VAL   3 -11.685   2.162   4.291
   26   1HG2  VAL   3          1HG2      VAL   3 -13.531  -0.547   3.758
   27   2HG2  VAL   3          2HG2      VAL   3 -11.851  -0.824   4.216
   28   3HG2  VAL   3          3HG2      VAL   3 -13.155  -1.411   5.249
   29    H    ILE   4           H        ILE   4 -12.247  -1.911   7.273
   30    HA   ILE   4           HA       ILE   4  -9.663  -1.045   8.398
   31    HB   ILE   4           HB       ILE   4  -9.692  -3.126   9.759
   32   1HG1  ILE   4          1HG1      ILE   4 -12.530  -3.300   8.725
   33   2HG1  ILE   4          2HG1      ILE   4 -11.238  -4.466   8.465
   34   1HG2  ILE   4          1HG2      ILE   4 -10.873  -0.708  10.265
   35   2HG2  ILE   4          2HG2      ILE   4 -12.153  -1.850  10.673
   36   3HG2  ILE   4          3HG2      ILE   4 -10.579  -1.973  11.458
   37   1HD1  ILE   4          1HD1      ILE   4 -13.083  -4.204  10.673
   38   2HD1  ILE   4          2HD1      ILE   4 -12.059  -5.562  10.206
   39   3HD1  ILE   4          3HD1      ILE   4 -11.405  -4.270  11.213
   40    H    GLY   5           H        GLY   5  -9.585  -1.308   5.785
   41   1HA   GLY   5          1HA       GLY   5  -8.736  -4.062   5.189
   42   2HA   GLY   5          2HA       GLY   5  -9.159  -2.846   3.993
   43    H    THR   6           H        THR   6  -7.564  -0.797   5.466
   44    HA   THR   6           HA       THR   6  -5.242  -0.840   3.999
   45    HB   THR   6           HB       THR   6  -4.286   0.718   5.707
   46    HG1  THR   6           1HG      THR   6  -5.091   0.594   7.652
   47   1HG2  THR   6          1HG2      THR   6  -5.387   2.186   4.438
   48   2HG2  THR   6          2HG2      THR   6  -6.726   2.079   5.581
   49   3HG2  THR   6          3HG2      THR   6  -6.698   1.040   4.157
   50    H    TRP   7           H        TRP   7  -3.220  -1.668   4.212
   51    HA   TRP   7           HA       TRP   7  -2.858  -3.683   6.311
   52   1HB   TRP   7          1HB       TRP   7  -0.854  -4.311   4.789
   53   2HB   TRP   7          2HB       TRP   7  -2.483  -4.695   4.241
   54    HD1  TRP   7           1HD      TRP   7  -3.556  -2.814   2.444
   55    HE1  TRP   7           1HE      TRP   7  -2.350  -1.594   0.525
   56    HE3  TRP   7           3HE      TRP   7   1.274  -3.416   4.009
   57    HZ2  TRP   7           2HZ      TRP   7   0.298  -0.970  -0.226
   58    HZ3  TRP   7           3HZ      TRP   7   3.085  -2.478   2.632
   59    HH2  TRP   7           2HH      TRP   7   2.605  -1.281   0.559
   60    H    ASP   8           H        ASP   8  -1.176  -3.642   7.737
   61    HA   ASP   8           HA       ASP   8   0.237  -1.103   7.974
   62   1HB   ASP   8          1HB       ASP   8   0.254  -3.430   9.902
   63   2HB   ASP   8          2HB       ASP   8   0.759  -1.774  10.225
   64    H    CYS   9           H        CYS   9   2.385  -0.843   7.712
   65    HA   CYS   9           HA       CYS   9   3.855  -2.864   6.341
   66   1HB   CYS   9          1HB       CYS   9   4.066  -0.314   6.100
   67   2HB   CYS   9          2HB       CYS   9   5.050  -0.381   7.558
   68    H    ASP  10           H        ASP  10   5.915  -3.747   7.014
   69    HA   ASP  10           HA       ASP  10   6.131  -4.052   9.937
   70   1HB   ASP  10          1HB       ASP  10   5.268  -6.108   8.930
   71   2HB   ASP  10          2HB       ASP  10   6.632  -6.149   7.815
   72    H    THR  11           H        THR  11   7.505  -2.366   7.755
   73    HA   THR  11           HA       THR  11  10.248  -2.996   8.616
   74    HB   THR  11           HB       THR  11   9.262  -2.402   5.846
   75    HG1  THR  11           1HG      THR  11   9.776  -4.464   5.848
   76   1HG2  THR  11          1HG2      THR  11  11.748  -2.075   5.293
   77   2HG2  THR  11          2HG2      THR  11  11.946  -1.708   7.007
   78   3HG2  THR  11          3HG3      THR  11  10.883  -0.716   6.010
   79    H    CYS  12           H        CYS  12   8.108  -0.505   7.258
   80    HA   CYS  12           HA       CYS  12   9.779   1.544   8.555
   81   1HB   CYS  12          1HB       CYS  12   9.253   3.024   6.874
   82   2HB   CYS  12          2HB       CYS  12   9.186   1.511   5.978
   83    H    LEU  13           H        LEU  13   7.008  -0.177   9.015
   84    HA   LEU  13           HA       LEU  13   5.177   0.052  10.343
   85   1HB   LEU  13          1HB       LEU  13   7.142   1.953  11.511
   86   2HB   LEU  13          2HB       LEU  13   5.479   2.015  12.091
   87    HG   LEU  13           HG       LEU  13   5.802  -0.541  12.476
   88   1HD1  LEU  13          1HD1      LEU  13   8.643   0.448  12.338
   89   2HD1  LEU  13          2HD1      LEU  13   7.906  -0.837  11.383
   90   3HD1  LEU  13          3HD1      LEU  13   8.154  -1.058  13.114
   91   1HD2  LEU  13          1HD2      LEU  13   7.207   1.461  14.240
   92   2HD2  LEU  13          2HD2      LEU  13   6.559  -0.106  14.726
   93   3HD2  LEU  13          3HD2      LEU  13   5.466   1.182  14.216
   94    H    VAL  14           H        VAL  14   3.839   0.692   8.601
   95    HA   VAL  14           HA       VAL  14   2.538   3.194   9.003
   96    HB   VAL  14           HB       VAL  14   4.710   3.271   7.213
   97   1HG1  VAL  14          1HG1      VAL  14   3.239   2.176   5.564
   98   2HG1  VAL  14          2HG1      VAL  14   2.086   3.501   5.741
   99   3HG1  VAL  14          3HG1      VAL  14   3.695   3.810   5.084
  100   1HG2  VAL  14          1HG2      VAL  14   3.630   5.574   6.709
  101   2HG2  VAL  14          2HG2      VAL  14   2.458   5.104   7.942
  102   3HG2  VAL  14          3HG2      VAL  14   4.170   5.218   8.351
  103    H    GLN  15           H        GLN  15   0.479   3.121   8.269
  104    HA   GLN  15           HA       GLN  15  -0.405   0.644   7.055
  105   1HB   GLN  15          1HB       GLN  15  -2.044   3.031   7.917
  106   2HB   GLN  15          2HB       GLN  15  -2.652   1.427   7.530
  107   1HG   GLN  15          1HG       GLN  15  -2.645   1.429   9.835
  108   2HG   GLN  15          2HG       GLN  15  -1.123   0.630   9.444
  109   1HE2  GLN  15          2HE2      GLN  15  -2.234   3.992   9.722
  110   2HE2  GLN  15          1HE2      GLN  15  -0.952   4.509  10.759
  111    H    ASN  16           H        ASN  16  -1.598   0.486   5.129
  112    HA   ASN  16           HA       ASN  16  -1.705   2.836   3.400
  113   1HB   ASN  16          1HB       ASN  16  -0.634   0.330   2.180
  114   2HB   ASN  16          2HB       ASN  16  -0.374   2.007   1.707
  115   1HD2  ASN  16          2HD2      ASN  16   0.173   0.022   4.603
  116   2HD2  ASN  16          1HD2      ASN  16   1.806   0.530   4.846
  117    H    LYS  17           H        LYS  17  -3.244   2.709   1.751
  118    HA   LYS  17           HA       LYS  17  -5.545   1.220   2.299
  119   1HB   LYS  17          1HB       LYS  17  -6.480   2.186   0.376
  120   2HB   LYS  17          2HB       LYS  17  -5.298   3.369   0.920
  121   1HG   LYS  17          1HG       LYS  17  -3.788   2.803  -0.792
  122   2HG   LYS  17          2HG       LYS  17  -4.665   1.322  -1.182
  123   1HD   LYS  17          1HD       LYS  17  -5.092   3.042  -2.853
  124   2HD   LYS  17          2HD       LYS  17  -6.567   2.662  -1.960
  125   1HE   LYS  17          1HE       LYS  17  -6.019   5.131  -2.399
  126   2HE   LYS  17          2HE       LYS  17  -6.503   4.666  -0.770
  127   1HZ   LYS  17          1HZ       LYS  17  -4.137   4.577  -0.171
  128   2HZ   LYS  17          2HZ       LYS  17  -4.613   6.121  -0.671
  129   3HZ   LYS  17          3HZ       LYS  17  -3.727   5.129  -1.717
  130    HA   PRO  18           HA       PRO  18  -4.732  -2.732   0.541
  131   1HB   PRO  18          1HB       PRO  18  -7.284  -3.536   0.074
  132   2HB   PRO  18          2HB       PRO  18  -6.581  -3.461   1.694
  133   1HG   PRO  18          1HG       PRO  18  -8.376  -1.502   0.316
  134   2HG   PRO  18          2HG       PRO  18  -8.430  -2.082   1.990
  135   1HD   PRO  18          1HD       PRO  18  -7.364   0.313   1.313
  136   2HD   PRO  18          2HD       PRO  18  -6.757  -0.653   2.674
  137    H    GLU  19           H        GLU  19  -6.141  -0.165  -1.182
  138    HA   GLU  19           HA       GLU  19  -6.468  -1.642  -3.659
  139   1HB   GLU  19          1HB       GLU  19  -6.561   1.339  -3.551
  140   2HB   GLU  19          2HB       GLU  19  -7.531   0.223  -4.503
  141   1HG   GLU  19          1HG       GLU  19  -8.651  -0.466  -2.366
  142   2HG   GLU  19          2HG       GLU  19  -7.814   0.873  -1.583
  143    H    ALA  20           H        ALA  20  -3.925  -0.279  -2.011
  144    HA   ALA  20           HA       ALA  20  -2.478   0.686  -4.336
  145   1HB   ALA  20          1HB       ALA  20  -2.211   1.905  -2.271
  146   2HB   ALA  20          2HB       ALA  20  -1.661   0.448  -1.443
  147   3HB   ALA  20          3HB       ALA  20  -0.674   1.164  -2.717
  148    H    ILE  21           H        ILE  21  -0.136  -0.087  -4.544
  149    HA   ILE  21           HA       ILE  21  -0.129  -3.030  -4.440
  150    HB   ILE  21           HB       ILE  21   1.409  -1.220  -6.307
  151   1HG1  ILE  21          1HG1      ILE  21  -0.784  -1.100  -7.085
  152   2HG1  ILE  21          2HG1      ILE  21  -0.136  -2.458  -7.997
  153   1HG2  ILE  21          1HG2      ILE  21   1.428  -3.729  -7.391
  154   2HG2  ILE  21          2HG2      ILE  21   2.748  -3.005  -6.472
  155   3HG2  ILE  21          3HG2      ILE  21   1.589  -4.065  -5.668
  156   1HD1  ILE  21          1HD1      ILE  21  -1.937  -2.555  -5.596
  157   2HD1  ILE  21          2HD1      ILE  21  -2.299  -3.062  -7.247
  158   3HD1  ILE  21          3HD1      ILE  21  -1.139  -3.971  -6.279
  159    H    LYS  22           H        LYS  22   1.501  -0.160  -3.450
  160    HA   LYS  22           HA       LYS  22   3.444  -1.785  -1.990
  161   1HB   LYS  22          1HB       LYS  22   5.254  -0.157  -2.588
  162   2HB   LYS  22          2HB       LYS  22   4.702  -1.156  -3.926
  163   1HG   LYS  22          1HG       LYS  22   3.214   0.771  -4.591
  164   2HG   LYS  22          2HG       LYS  22   4.093   1.740  -3.406
  165   1HD   LYS  22          1HD       LYS  22   6.188   1.283  -4.571
  166   2HD   LYS  22          2HD       LYS  22   5.329   0.276  -5.740
  167   1HE   LYS  22          1HE       LYS  22   4.928   3.232  -5.289
  168   2HE   LYS  22          2HE       LYS  22   5.757   2.489  -6.656
  169   1HZ   LYS  22          1HZ       LYS  22   3.791   2.503  -7.659
  170   2HZ   LYS  22          2HZ       LYS  22   2.963   2.894  -6.236
  171   3HZ   LYS  22          3HZ       LYS  22   3.308   1.278  -6.597
  172    H    CYS  23           H        CYS  23   4.813  -0.140  -0.560
  173    HA   CYS  23           HA       CYS  23   2.908   1.114   1.163
  174   1HB   CYS  23          1HB       CYS  23   5.224  -0.048   1.689
  175   2HB   CYS  23          2HB       CYS  23   5.844   1.583   1.457
  176    H    VAL  24           H        VAL  24   2.871   3.327   1.799
  177    HA   VAL  24           HA       VAL  24   3.627   5.139  -0.386
  178    HB   VAL  24           HB       VAL  24   1.200   4.940   0.466
  179   1HG1  VAL  24          1HG1      VAL  24   2.262   5.330   2.899
  180   2HG1  VAL  24          2HG1      VAL  24   1.865   6.997   2.479
  181   3HG1  VAL  24          3HG1      VAL  24   0.603   5.764   2.487
  182   1HG2  VAL  24          1HG2      VAL  24   0.788   7.291   0.034
  183   2HG2  VAL  24          2HG2      VAL  24   2.488   7.666   0.325
  184   3HG2  VAL  24          2HG3      VAL  24   2.027   6.683  -1.065
  185    H    ALA  25           H        ALA  25   5.246   4.118   2.025
  186    HA   ALA  25           HA       ALA  25   6.223   6.774   2.825
  187   1HB   ALA  25          1HB       ALA  25   6.250   4.486   4.758
  188   2HB   ALA  25          2HB       ALA  25   6.389   6.217   5.076
  189   3HB   ALA  25          3HB       ALA  25   4.836   5.528   4.603
  190    H    CYS  26           H        CYS  26   6.943   3.306   2.611
  191    HA   CYS  26           HA       CYS  26   9.787   3.992   2.264
  192   1HB   CYS  26          1HB       CYS  26  10.377   1.870   3.165
  193   2HB   CYS  26          2HB       CYS  26   9.155   2.539   4.241
  194    H    GLU  27           H        GLU  27   7.027   2.874   0.698
  195    HA   GLU  27           HA       GLU  27   6.654   2.152  -1.430
  196   1HB   GLU  27          1HB       GLU  27   9.559   2.183  -2.107
  197   2HB   GLU  27          2HB       GLU  27   8.178   2.664  -3.081
  198   1HG   GLU  27          1HG       GLU  27   7.978   4.571  -1.296
  199   2HG   GLU  27          2HG       GLU  27   9.681   4.205  -1.032
  200    H    THR  28           H        THR  28   6.811   0.245   0.501
  201    HA   THR  28           HA       THR  28   8.562  -1.888  -0.410
  202    HB   THR  28           HB       THR  28   7.008  -1.343   2.009
  203    HG1  THR  28           1HG      THR  28   8.742  -2.804   2.790
  204   1HG2  THR  28          1HG2      THR  28   7.122  -4.170   0.948
  205   2HG2  THR  28          2HG2      THR  28   5.664  -3.208   1.194
  206   3HG2  THR  28          3HG2      THR  28   6.635  -3.706   2.579
  207    HA   PRO  29           HA       PRO  29   5.612  -3.809  -3.054
  208   1HB   PRO  29          1HB       PRO  29   6.569  -6.349  -2.996
  209   2HB   PRO  29          2HB       PRO  29   7.371  -5.041  -3.872
  210   1HG   PRO  29          1HG       PRO  29   7.999  -6.179  -1.175
  211   2HG   PRO  29          2HG       PRO  29   9.106  -5.723  -2.483
  212   1HD   PRO  29          1HD       PRO  29   8.660  -4.139  -0.334
  213   2HD   PRO  29          2HD       PRO  29   9.023  -3.483  -1.943
  214    H    LYS  30           H        LYS  30   3.589  -4.008  -2.293
  215    HA   LYS  30           HA       LYS  30   2.767  -5.058   0.126
  216   1HB   LYS  30          1HB       LYS  30   1.242  -3.754  -1.177
  217   2HB   LYS  30          2HB       LYS  30   1.324  -4.887  -2.519
  218   1HG   LYS  30          1HG       LYS  30   0.396  -6.568  -0.716
  219   2HG   LYS  30          2HG       LYS  30  -0.174  -5.076   0.038
  220   1HD   LYS  30          1HD       LYS  30  -0.674  -5.256  -2.848
  221   2HD   LYS  30          2HD       LYS  30  -1.520  -6.465  -1.880
  222   1HE   LYS  30          1HE       LYS  30  -2.422  -4.676  -0.461
  223   2HE   LYS  30          2HE       LYS  30  -1.593  -3.478  -1.455
  224   1HZ   LYS  30          1HZ       LYS  30  -3.534  -3.435  -2.546
  225   2HZ   LYS  30          2HZ       LYS  30  -4.025  -4.954  -1.985
  226   3HZ   LYS  30          3HZ       LYS  30  -2.967  -4.839  -3.300
  227    HA   PRO  31           HA       PRO  31   3.278  -9.419  -0.207
  228   1HB   PRO  31          1HB       PRO  31   1.464 -10.203   1.654
  229   2HB   PRO  31          2HB       PRO  31   3.017  -9.470   2.075
  230   1HG   PRO  31          1HG       PRO  31   0.306  -8.209   1.924
  231   2HG   PRO  31          2HG       PRO  31   1.570  -8.002   3.151
  232   1HD   PRO  31          1HD       PRO  31   1.149  -6.200   1.173
  233   2HD   PRO  31          2HD       PRO  31   2.758  -6.511   1.855
  Start of MODEL    9
    1   1H    GLY   0          1H        GLY   0 -15.954   7.196  11.573
    2   1HA   GLY   0          1HA       GLY   0 -17.364   9.374  10.837
    3   2HA   GLY   0          2HA       GLY   0 -15.709   9.957  10.740
    4    H    HIS   1           H        HIS   1 -15.691  10.237   8.529
    5    HA   HIS   1           HA       HIS   1 -16.336   7.976   6.812
    6   1HB   HIS   1          1HB       HIS   1 -17.151   9.936   5.860
    7   2HB   HIS   1          2HB       HIS   1 -15.748  10.878   6.352
    8    HD1  HIS   1           HD1      HIS   1 -13.564  10.571   4.895
    9    HD2  HIS   1           HD2      HIS   1 -16.990   8.794   3.358
   10    HE1  HIS   1           HE1      HIS   1 -13.035  10.058   2.491
   11    H    MET   2           H        MET   2 -14.866   6.566   6.141
   12    HA   MET   2           HA       MET   2 -12.224   7.316   5.386
   13   1HB   MET   2          1HB       MET   2 -12.045   7.265   7.890
   14   2HB   MET   2          2HB       MET   2 -12.444   5.553   7.831
   15   1HG   MET   2          1HG       MET   2 -10.148   5.521   7.954
   16   2HG   MET   2          2HG       MET   2 -10.432   5.382   6.221
   17   1HE   MET   2          1HE       MET   2  -8.689   7.854   4.591
   18   2HE   MET   2          2HE       MET   2  -7.620   6.804   5.520
   19   3HE   MET   2          3HE       MET   2  -9.127   6.167   4.861
   20    H    VAL   3           H        VAL   3 -11.270   5.782   4.104
   21    HA   VAL   3           HA       VAL   3 -12.835   3.876   2.846
   22    HB   VAL   3           HB       VAL   3 -10.564   4.856   2.121
   23   1HG1  VAL   3          1HG1      VAL   3  -8.596   3.704   2.678
   24   2HG1  VAL   3          2HG1      VAL   3  -9.441   3.917   4.213
   25   3HG1  VAL   3          3HG1      VAL   3  -9.484   2.357   3.390
   26   1HG2  VAL   3          1HG2      VAL   3 -11.529   3.476   0.556
   27   2HG2  VAL   3          2HG2      VAL   3 -10.049   2.586   0.916
   28   3HG2  VAL   3          3HG2      VAL   3 -11.575   2.091   1.647
   29    H    ILE   4           H        ILE   4 -12.899   1.603   2.919
   30    HA   ILE   4           HA       ILE   4 -12.442   0.518   5.596
   31    HB   ILE   4           HB       ILE   4 -13.943  -0.718   3.284
   32   1HG1  ILE   4          1HG1      ILE   4 -15.885  -0.113   4.993
   33   2HG1  ILE   4          2HG1      ILE   4 -14.753   1.147   5.468
   34   1HG2  ILE   4          1HG2      ILE   4 -14.898  -1.783   5.635
   35   2HG2  ILE   4          2HG2      ILE   4 -13.772  -2.564   4.525
   36   3HG2  ILE   4          3HG2      ILE   4 -13.161  -1.671   5.918
   37   1HD1  ILE   4          1HD1      ILE   4 -15.737   0.702   2.662
   38   2HD1  ILE   4          2HD1      ILE   4 -16.392   1.889   3.790
   39   3HD1  ILE   4          3HD1      ILE   4 -14.725   2.028   3.233
   40    H    GLY   5           H        GLY   5 -10.918  -0.951   6.044
   41   1HA   GLY   5          1HA       GLY   5  -9.524  -2.804   5.607
   42   2HA   GLY   5          2HA       GLY   5  -9.755  -2.542   3.884
   43    H    THR   6           H        THR   6  -7.306  -2.894   5.565
   44    HA   THR   6           HA       THR   6  -5.608  -1.147   4.185
   45    HB   THR   6           HB       THR   6  -4.826   0.008   6.464
   46    HG1  THR   6           1HG      THR   6  -6.334  -0.011   7.939
   47   1HG2  THR   6          1HG2      THR   6  -6.221   0.801   4.141
   48   2HG2  THR   6          2HG2      THR   6  -5.274   1.810   5.235
   49   3HG2  THR   6          3HG2      THR   6  -7.004   1.599   5.506
   50    H    TRP   7           H        TRP   7  -3.392  -1.510   4.641
   51    HA   TRP   7           HA       TRP   7  -2.875  -3.718   6.522
   52   1HB   TRP   7          1HB       TRP   7  -1.099  -4.460   4.862
   53   2HB   TRP   7          2HB       TRP   7  -2.771  -4.715   4.369
   54    HD1  TRP   7           1HD      TRP   7  -3.763  -2.781   2.605
   55    HE1  TRP   7           1HE      TRP   7  -2.537  -1.611   0.667
   56    HE3  TRP   7           3HE      TRP   7   1.061  -3.652   4.054
   57    HZ2  TRP   7           2HZ      TRP   7   0.123  -1.122  -0.140
   58    HZ3  TRP   7           3HZ      TRP   7   2.888  -2.800   2.643
   59    HH2  TRP   7           2HH      TRP   7   2.426  -1.562   0.590
   60    H    ASP   8           H        ASP   8  -1.155  -3.495   7.843
   61    HA   ASP   8           HA       ASP   8   0.270  -0.956   7.759
   62   1HB   ASP   8          1HB       ASP   8   0.602  -3.088   9.859
   63   2HB   ASP   8          2HB       ASP   8   0.869  -1.353  10.006
   64    H    CYS   9           H        CYS   9   2.573  -0.826   7.939
   65    HA   CYS   9           HA       CYS   9   3.905  -2.807   6.305
   66   1HB   CYS   9          1HB       CYS   9   4.208  -0.251   6.177
   67   2HB   CYS   9          2HB       CYS   9   5.224  -0.432   7.603
   68    H    ASP  10           H        ASP  10   6.186  -3.460   6.975
   69    HA   ASP  10           HA       ASP  10   6.289  -4.063   9.854
   70   1HB   ASP  10          1HB       ASP  10   5.526  -6.019   8.418
   71   2HB   ASP  10          2HB       ASP  10   7.140  -6.015   7.714
   72    H    THR  11           H        THR  11   7.751  -2.582   7.316
   73    HA   THR  11           HA       THR  11  10.458  -3.028   8.390
   74    HB   THR  11           HB       THR  11   9.509  -3.005   5.704
   75    HG1  THR  11           1HG      THR  11  11.133  -4.362   6.013
   76   1HG2  THR  11          1HG2      THR  11  11.524  -0.831   6.285
   77   2HG2  THR  11          2HG2      THR  11   9.860  -0.572   5.760
   78   3HG2  THR  11          3HG3      THR  11  11.009  -1.372   4.688
   79    H    CYS  12           H        CYS  12   8.151  -0.582   7.320
   80    HA   CYS  12           HA       CYS  12   9.789   1.456   8.680
   81   1HB   CYS  12          1HB       CYS  12   9.336   3.008   7.043
   82   2HB   CYS  12          2HB       CYS  12   9.346   1.538   6.075
   83    H    LEU  13           H        LEU  13   7.054  -0.334   8.938
   84    HA   LEU  13           HA       LEU  13   5.121  -0.183  10.129
   85   1HB   LEU  13          1HB       LEU  13   6.260   2.115  11.654
   86   2HB   LEU  13          2HB       LEU  13   5.280   0.767  12.228
   87    HG   LEU  13           HG       LEU  13   8.070   0.275  11.271
   88   1HD1  LEU  13          1HD1      LEU  13   7.245   1.676  13.755
   89   2HD1  LEU  13          2HD1      LEU  13   8.701   1.862  12.778
   90   3HD1  LEU  13          3HD1      LEU  13   8.538   0.481  13.863
   91   1HD2  LEU  13          1HD2      LEU  13   6.107  -1.385  12.105
   92   2HD2  LEU  13          2HD2      LEU  13   6.934  -1.066  13.630
   93   3HD2  LEU  13          3HD2      LEU  13   7.829  -1.731  12.263
   94    H    VAL  14           H        VAL  14   3.732   0.546   8.538
   95    HA   VAL  14           HA       VAL  14   2.571   3.114   8.971
   96    HB   VAL  14           HB       VAL  14   4.669   3.049   7.087
   97   1HG1  VAL  14          1HG1      VAL  14   2.003   3.451   5.737
   98   2HG1  VAL  14          2HG1      VAL  14   3.597   3.637   5.004
   99   3HG1  VAL  14          3HG1      VAL  14   3.043   2.044   5.521
  100   1HG2  VAL  14          1HG2      VAL  14   2.553   5.173   7.317
  101   2HG2  VAL  14          2HG2      VAL  14   3.788   4.921   8.550
  102   3HG2  VAL  14          3HG2      VAL  14   4.257   5.369   6.911
  103    H    GLN  15           H        GLN  15   0.498   3.204   8.220
  104    HA   GLN  15           HA       GLN  15  -0.575   0.742   7.119
  105   1HB   GLN  15          1HB       GLN  15  -1.797   3.220   8.301
  106   2HB   GLN  15          2HB       GLN  15  -2.783   2.051   7.434
  107   1HG   GLN  15          1HG       GLN  15  -3.029   1.322   9.584
  108   2HG   GLN  15          2HG       GLN  15  -1.665   0.339   9.054
  109   1HE2  GLN  15          2HE2      GLN  15  -2.736   1.833  11.627
  110   2HE2  GLN  15          1HE2      GLN  15  -1.269   2.414  12.330
  111    H    ASN  16           H        ASN  16  -1.603   0.527   5.164
  112    HA   ASN  16           HA       ASN  16  -1.739   2.861   3.403
  113   1HB   ASN  16          1HB       ASN  16  -0.692   0.325   2.229
  114   2HB   ASN  16          2HB       ASN  16  -0.412   1.991   1.731
  115   1HD2  ASN  16          2HD2      ASN  16   0.121   0.010   4.631
  116   2HD2  ASN  16          1HD2      ASN  16   1.754   0.516   4.880
  117    H    LYS  17           H        LYS  17  -3.241   2.679   1.702
  118    HA   LYS  17           HA       LYS  17  -5.563   1.210   2.298
  119   1HB   LYS  17          1HB       LYS  17  -6.511   2.187   0.395
  120   2HB   LYS  17          2HB       LYS  17  -5.306   3.362   0.908
  121   1HG   LYS  17          1HG       LYS  17  -3.824   2.743  -0.820
  122   2HG   LYS  17          2HG       LYS  17  -4.757   1.293  -1.200
  123   1HD   LYS  17          1HD       LYS  17  -5.369   2.776  -2.885
  124   2HD   LYS  17          2HD       LYS  17  -6.679   2.938  -1.713
  125   1HE   LYS  17          1HE       LYS  17  -5.925   5.009  -0.974
  126   2HE   LYS  17          2HE       LYS  17  -4.296   4.746  -1.592
  127   1HZ   LYS  17          1HZ       LYS  17  -5.414   4.766  -3.871
  128   2HZ   LYS  17          2HZ       LYS  17  -5.235   6.247  -3.074
  129   3HZ   LYS  17          3HZ       LYS  17  -6.737   5.470  -3.087
  130    HA   PRO  18           HA       PRO  18  -4.767  -2.740   0.531
  131   1HB   PRO  18          1HB       PRO  18  -7.317  -3.529   0.040
  132   2HB   PRO  18          2HB       PRO  18  -6.629  -3.460   1.666
  133   1HG   PRO  18          1HG       PRO  18  -8.401  -1.489   0.276
  134   2HG   PRO  18          2HG       PRO  18  -8.473  -2.072   1.949
  135   1HD   PRO  18          1HD       PRO  18  -7.389   0.318   1.286
  136   2HD   PRO  18          2HD       PRO  18  -6.798  -0.653   2.649
  137    H    GLU  19           H        GLU  19  -6.150  -0.163  -1.199
  138    HA   GLU  19           HA       GLU  19  -6.459  -1.634  -3.683
  139   1HB   GLU  19          1HB       GLU  19  -8.077  -0.005  -3.614
  140   2HB   GLU  19          2HB       GLU  19  -7.049   1.132  -2.754
  141   1HG   GLU  19          1HG       GLU  19  -5.875   1.698  -4.745
  142   2HG   GLU  19          2HG       GLU  19  -6.653   0.395  -5.641
  143    H    ALA  20           H        ALA  20  -3.928  -0.281  -2.008
  144    HA   ALA  20           HA       ALA  20  -2.457   0.694  -4.311
  145   1HB   ALA  20          1HB       ALA  20  -0.659   1.135  -2.676
  146   2HB   ALA  20          2HB       ALA  20  -2.193   1.884  -2.228
  147   3HB   ALA  20          3HB       ALA  20  -1.660   0.410  -1.417
  148    H    ILE  21           H        ILE  21  -0.108  -0.089  -4.494
  149    HA   ILE  21           HA       ILE  21  -0.127  -3.034  -4.444
  150    HB   ILE  21           HB       ILE  21   0.068  -2.534  -6.685
  151   1HG1  ILE  21          1HG1      ILE  21   2.947  -2.454  -5.757
  152   2HG1  ILE  21          2HG1      ILE  21   1.982  -3.917  -5.922
  153   1HG2  ILE  21          1HG2      ILE  21   1.478  -0.081  -5.751
  154   2HG2  ILE  21          2HG2      ILE  21   1.747  -0.651  -7.397
  155   3HG2  ILE  21          3HG2      ILE  21   0.117  -0.246  -6.861
  156   1HD1  ILE  21          1HD1      ILE  21   1.818  -2.559  -8.378
  157   2HD1  ILE  21          2HD1      ILE  21   3.512  -2.542  -7.888
  158   3HD1  ILE  21          3HD1      ILE  21   2.648  -4.073  -8.019
  159    H    LYS  22           H        LYS  22   1.494  -0.201  -3.362
  160    HA   LYS  22           HA       LYS  22   3.388  -1.853  -1.884
  161   1HB   LYS  22          1HB       LYS  22   5.247  -0.254  -2.477
  162   2HB   LYS  22          2HB       LYS  22   4.721  -1.312  -3.780
  163   1HG   LYS  22          1HG       LYS  22   3.276   0.592  -4.581
  164   2HG   LYS  22          2HG       LYS  22   4.125   1.611  -3.417
  165   1HD   LYS  22          1HD       LYS  22   6.205   1.276  -4.507
  166   2HD   LYS  22          2HD       LYS  22   5.552  -0.029  -5.501
  167   1HE   LYS  22          1HE       LYS  22   4.413   2.739  -5.653
  168   2HE   LYS  22          2HE       LYS  22   5.870   2.314  -6.550
  169   1HZ   LYS  22          1HZ       LYS  22   3.839   2.045  -7.866
  170   2HZ   LYS  22          2HZ       LYS  22   3.272   0.892  -6.766
  171   3HZ   LYS  22          3HZ       LYS  22   4.663   0.580  -7.675
  172    H    CYS  23           H        CYS  23   4.769  -0.264  -0.431
  173    HA   CYS  23           HA       CYS  23   2.908   1.047   1.269
  174   1HB   CYS  23          1HB       CYS  23   5.229  -0.078   1.790
  175   2HB   CYS  23          2HB       CYS  23   5.853   1.538   1.473
  176    H    VAL  24           H        VAL  24   2.942   3.285   1.915
  177    HA   VAL  24           HA       VAL  24   3.598   5.063  -0.335
  178    HB   VAL  24           HB       VAL  24   1.199   4.904   0.454
  179   1HG1  VAL  24          1HG1      VAL  24   1.941   6.713   2.704
  180   2HG1  VAL  24          2HG1      VAL  24   0.523   5.681   2.505
  181   3HG1  VAL  24          3HG1      VAL  24   2.081   4.969   2.928
  182   1HG2  VAL  24          1HG2      VAL  24   1.668   7.708   0.876
  183   2HG2  VAL  24          2HG2      VAL  24   2.724   7.096  -0.397
  184   3HG2  VAL  24          2HG3      VAL  24   0.977   6.888  -0.524
  185    H    ALA  25           H        ALA  25   5.243   4.095   2.100
  186    HA   ALA  25           HA       ALA  25   6.215   6.774   2.830
  187   1HB   ALA  25          1HB       ALA  25   6.306   4.512   4.791
  188   2HB   ALA  25          2HB       ALA  25   6.429   6.248   5.084
  189   3HB   ALA  25          3HB       ALA  25   4.876   5.535   4.648
  190    H    CYS  26           H        CYS  26   6.967   3.316   2.610
  191    HA   CYS  26           HA       CYS  26   9.802   4.028   2.238
  192   1HB   CYS  26          1HB       CYS  26  10.415   1.900   3.110
  193   2HB   CYS  26          2HB       CYS  26   9.201   2.552   4.205
  194    H    GLU  27           H        GLU  27   7.029   2.831   0.716
  195    HA   GLU  27           HA       GLU  27   6.645   2.155  -1.427
  196   1HB   GLU  27          1HB       GLU  27   9.589   2.312  -2.009
  197   2HB   GLU  27          2HB       GLU  27   8.238   2.547  -3.108
  198   1HG   GLU  27          1HG       GLU  27   7.887   4.699  -2.444
  199   2HG   GLU  27          2HG       GLU  27   8.525   4.422  -0.826
  200    H    THR  28           H        THR  28   6.826   0.236   0.488
  201    HA   THR  28           HA       THR  28   8.580  -1.882  -0.456
  202    HB   THR  28           HB       THR  28   7.063  -1.358   1.988
  203    HG1  THR  28           1HG      THR  28   9.030  -3.298   1.934
  204   1HG2  THR  28          1HG2      THR  28   7.002  -4.091   0.734
  205   2HG2  THR  28          2HG2      THR  28   5.668  -3.170   1.430
  206   3HG2  THR  28          3HG2      THR  28   6.904  -3.861   2.479
  207    HA   PRO  29           HA       PRO  29   5.605  -3.814  -3.064
  208   1HB   PRO  29          1HB       PRO  29   6.561  -6.354  -3.012
  209   2HB   PRO  29          2HB       PRO  29   7.356  -5.047  -3.897
  210   1HG   PRO  29          1HG       PRO  29   8.009  -6.181  -1.205
  211   2HG   PRO  29          2HG       PRO  29   9.105  -5.727  -2.523
  212   1HD   PRO  29          1HD       PRO  29   8.678  -4.140  -0.372
  213   2HD   PRO  29          2HD       PRO  29   9.026  -3.487  -1.986
  214    H    LYS  30           H        LYS  30   3.579  -4.086  -2.358
  215    HA   LYS  30           HA       LYS  30   2.807  -5.151   0.102
  216   1HB   LYS  30          1HB       LYS  30   1.280  -3.766  -1.113
  217   2HB   LYS  30          2HB       LYS  30   1.298  -4.853  -2.495
  218   1HG   LYS  30          1HG       LYS  30   0.397  -6.562  -0.676
  219   2HG   LYS  30          2HG       LYS  30  -0.165  -5.064   0.071
  220   1HD   LYS  30          1HD       LYS  30  -0.668  -5.311  -2.823
  221   2HD   LYS  30          2HD       LYS  30  -1.553  -6.443  -1.797
  222   1HE   LYS  30          1HE       LYS  30  -2.341  -4.530  -0.440
  223   2HE   LYS  30          2HE       LYS  30  -1.529  -3.437  -1.558
  224   1HZ   LYS  30          1HZ       LYS  30  -3.538  -3.431  -2.538
  225   2HZ   LYS  30          2HZ       LYS  30  -4.000  -4.923  -1.887
  226   3HZ   LYS  30          3HZ       LYS  30  -2.998  -4.868  -3.248
  227    HA   PRO  31           HA       PRO  31   3.215  -9.506  -0.409
  228   1HB   PRO  31          1HB       PRO  31   1.434 -10.323   1.470
  229   2HB   PRO  31          2HB       PRO  31   3.013  -9.640   1.876
  230   1HG   PRO  31          1HG       PRO  31   0.328  -8.317   1.848
  231   2HG   PRO  31          2HG       PRO  31   1.629  -8.183   3.045
  232   1HD   PRO  31          1HD       PRO  31   1.194  -6.298   1.150
  233   2HD   PRO  31          2HD       PRO  31   2.814  -6.668   1.774
  Start of MODEL   10
    1   1H    GLY   0          1H        GLY   0 -19.407  -9.596  -4.787
    2   1HA   GLY   0          1HA       GLY   0 -18.600  -9.912  -7.372
    3   2HA   GLY   0          2HA       GLY   0 -18.377  -8.194  -7.078
    4    H    HIS   1           H        HIS   1 -16.696  -7.496  -5.815
    5    HA   HIS   1           HA       HIS   1 -14.786  -9.581  -4.996
    6   1HB   HIS   1          1HB       HIS   1 -13.016  -8.141  -5.516
    7   2HB   HIS   1          2HB       HIS   1 -14.178  -7.835  -6.804
    8    HD1  HIS   1           HD1      HIS   1 -15.383  -5.539  -6.792
    9    HD2  HIS   1           HD2      HIS   1 -12.562  -6.006  -3.778
   10    HE1  HIS   1           HE1      HIS   1 -15.004  -3.233  -5.863
   11    H    MET   2           H        MET   2 -13.159  -8.451  -3.296
   12    HA   MET   2           HA       MET   2 -14.513  -6.831  -1.335
   13   1HB   MET   2          1HB       MET   2 -14.520  -8.412   0.460
   14   2HB   MET   2          2HB       MET   2 -15.354  -9.153  -0.899
   15   1HG   MET   2          1HG       MET   2 -12.452  -9.655  -0.340
   16   2HG   MET   2          2HG       MET   2 -13.735 -10.602   0.407
   17   1HE   MET   2          1HE       MET   2 -14.798 -13.078  -1.863
   18   2HE   MET   2          2HE       MET   2 -13.232 -13.254  -1.072
   19   3HE   MET   2          3HE       MET   2 -14.547 -12.417  -0.246
   20    H    VAL   3           H        VAL   3 -13.102  -6.295   0.502
   21    HA   VAL   3           HA       VAL   3 -10.249  -6.599  -0.180
   22    HB   VAL   3           HB       VAL   3  -9.854  -4.366   0.774
   23   1HG1  VAL   3          1HG1      VAL   3  -9.996  -4.262  -1.529
   24   2HG1  VAL   3          2HG1      VAL   3 -11.704  -4.708  -1.550
   25   3HG1  VAL   3          3HG1      VAL   3 -11.219  -3.090  -1.037
   26   1HG2  VAL   3          1HG2      VAL   3 -11.598  -2.912   1.433
   27   2HG2  VAL   3          2HG2      VAL   3 -12.841  -3.999   0.813
   28   3HG2  VAL   3          3HG2      VAL   3 -11.913  -4.447   2.244
   29    H    ILE   4           H        ILE   4  -8.765  -6.434   1.643
   30    HA   ILE   4           HA       ILE   4  -9.892  -7.724   4.010
   31    HB   ILE   4           HB       ILE   4  -7.319  -7.849   4.563
   32   1HG1  ILE   4          1HG1      ILE   4  -7.210  -7.787   1.552
   33   2HG1  ILE   4          2HG1      ILE   4  -6.842  -6.368   2.526
   34   1HG2  ILE   4          1HG2      ILE   4  -8.137  -9.640   2.334
   35   2HG2  ILE   4          2HG2      ILE   4  -7.381 -10.029   3.879
   36   3HG2  ILE   4          3HG2      ILE   4  -9.100  -9.638   3.811
   37   1HD1  ILE   4          1HD1      ILE   4  -5.229  -8.710   1.956
   38   2HD1  ILE   4          2HD1      ILE   4  -4.750  -7.109   2.521
   39   3HD1  ILE   4          3HD1      ILE   4  -5.298  -8.324   3.675
   40    H    GLY   5           H        GLY   5  -8.735  -4.685   2.972
   41   1HA   GLY   5          1HA       GLY   5  -9.182  -2.757   4.353
   42   2HA   GLY   5          2HA       GLY   5  -8.796  -3.736   5.762
   43    H    THR   6           H        THR   6  -7.672  -1.219   5.301
   44    HA   THR   6           HA       THR   6  -5.280  -1.017   4.001
   45    HB   THR   6           HB       THR   6  -4.543   0.528   5.843
   46    HG1  THR   6           1HG      THR   6  -5.452   0.093   7.708
   47   1HG2  THR   6          1HG2      THR   6  -5.644   1.935   4.499
   48   2HG2  THR   6          2HG2      THR   6  -7.023   1.754   5.584
   49   3HG2  THR   6          3HG2      THR   6  -6.889   0.736   4.150
   50    H    TRP   7           H        TRP   7  -3.254  -1.782   4.218
   51    HA   TRP   7           HA       TRP   7  -2.783  -3.723   6.370
   52   1HB   TRP   7          1HB       TRP   7  -0.814  -4.378   4.833
   53   2HB   TRP   7          2HB       TRP   7  -2.445  -4.803   4.319
   54    HD1  TRP   7           1HD      TRP   7  -3.564  -2.973   2.484
   55    HE1  TRP   7           1HE      TRP   7  -2.395  -1.817   0.504
   56    HE3  TRP   7           3HE      TRP   7   1.294  -3.519   3.978
   57    HZ2  TRP   7           2HZ      TRP   7   0.238  -1.215  -0.316
   58    HZ3  TRP   7           3HZ      TRP   7   3.078  -2.625   2.538
   59    HH2  TRP   7           2HH      TRP   7   2.559  -1.497   0.436
   60    H    ASP   8           H        ASP   8  -1.078  -3.549   7.754
   61    HA   ASP   8           HA       ASP   8   0.320  -0.978   7.749
   62   1HB   ASP   8          1HB       ASP   8   0.225  -3.059   9.940
   63   2HB   ASP   8          2HB       ASP   8   0.809  -1.403  10.077
   64    H    CYS   9           H        CYS   9   2.467  -0.785   7.467
   65    HA   CYS   9           HA       CYS   9   3.944  -2.838   6.264
   66   1HB   CYS   9          1HB       CYS   9   4.295  -0.233   6.310
   67   2HB   CYS   9          2HB       CYS   9   5.319  -0.596   7.696
   68    H    ASP  10           H        ASP  10   6.208  -3.453   7.158
   69    HA   ASP  10           HA       ASP  10   6.026  -4.121  10.013
   70   1HB   ASP  10          1HB       ASP  10   6.652  -6.389   9.644
   71   2HB   ASP  10          2HB       ASP  10   5.327  -6.054   8.533
   72    H    THR  11           H        THR  11   7.658  -2.435   7.864
   73    HA   THR  11           HA       THR  11  10.263  -2.984   9.126
   74    HB   THR  11           HB       THR  11   9.652  -2.417   6.239
   75    HG1  THR  11           1HG      THR  11  11.364  -4.277   7.565
   76   1HG2  THR  11          1HG2      THR  11  11.297  -0.817   6.479
   77   2HG2  THR  11          2HG2      THR  11  12.266  -2.248   6.125
   78   3HG2  THR  11          3HG3      THR  11  12.099  -1.686   7.789
   79    H    CYS  12           H        CYS  12   8.520  -0.510   7.234
   80    HA   CYS  12           HA       CYS  12   9.988   1.589   8.623
   81   1HB   CYS  12          1HB       CYS  12   9.401   2.999   6.905
   82   2HB   CYS  12          2HB       CYS  12   9.353   1.455   6.059
   83    H    LEU  13           H        LEU  13   6.989  -0.031   8.789
   84    HA   LEU  13           HA       LEU  13   5.241   0.159  10.237
   85   1HB   LEU  13          1HB       LEU  13   6.457   2.571  11.507
   86   2HB   LEU  13          2HB       LEU  13   5.495   1.289  12.238
   87    HG   LEU  13           HG       LEU  13   8.383   1.101  11.382
   88   1HD1  LEU  13          1HD1      LEU  13   6.999   1.420  14.014
   89   2HD1  LEU  13          2HD1      LEU  13   8.396   2.283  13.373
   90   3HD1  LEU  13          3HD1      LEU  13   8.563   0.612  13.913
   91   1HD2  LEU  13          1HD2      LEU  13   8.373  -1.130  11.812
   92   2HD2  LEU  13          2HD2      LEU  13   6.711  -0.960  11.247
   93   3HD2  LEU  13          3HD2      LEU  13   7.054  -1.016  12.977
   94    H    VAL  14           H        VAL  14   4.195   0.857   8.201
   95    HA   VAL  14           HA       VAL  14   2.883   3.417   8.615
   96    HB   VAL  14           HB       VAL  14   4.385   2.779   6.075
   97   1HG1  VAL  14          1HG1      VAL  14   2.582   3.746   5.107
   98   2HG1  VAL  14          2HG1      VAL  14   2.081   4.557   6.592
   99   3HG1  VAL  14          3HG1      VAL  14   3.392   5.225   5.619
  100   1HG2  VAL  14          1HG2      VAL  14   5.646   4.742   6.517
  101   2HG2  VAL  14          2HG2      VAL  14   4.578   5.213   7.839
  102   3HG2  VAL  14          3HG2      VAL  14   5.626   3.805   8.011
  103    H    GLN  15           H        GLN  15   0.776   3.298   8.139
  104    HA   GLN  15           HA       GLN  15  -0.276   0.818   7.098
  105   1HB   GLN  15          1HB       GLN  15  -1.656   3.334   8.048
  106   2HB   GLN  15          2HB       GLN  15  -2.486   1.858   7.573
  107   1HG   GLN  15          1HG       GLN  15  -1.130   0.691   9.368
  108   2HG   GLN  15          2HG       GLN  15  -0.686   2.302   9.931
  109   1HE2  GLN  15          2HE2      GLN  15  -3.549   0.405   9.043
  110   2HE2  GLN  15          1HE2      GLN  15  -4.563   1.031  10.295
  111    H    ASN  16           H        ASN  16  -1.589   0.592   5.263
  112    HA   ASN  16           HA       ASN  16  -1.782   2.837   3.417
  113   1HB   ASN  16          1HB       ASN  16  -0.746   0.287   2.261
  114   2HB   ASN  16          2HB       ASN  16  -0.527   1.942   1.702
  115   1HD2  ASN  16          2HD2      ASN  16   0.299  -0.155   4.437
  116   2HD2  ASN  16          1HD2      ASN  16   1.894   0.473   4.657
  117    H    LYS  17           H        LYS  17  -3.209   2.386   1.588
  118    HA   LYS  17           HA       LYS  17  -5.493   0.861   2.422
  119   1HB   LYS  17          1HB       LYS  17  -6.620   1.812   0.576
  120   2HB   LYS  17          2HB       LYS  17  -5.539   3.070   1.162
  121   1HG   LYS  17          1HG       LYS  17  -3.994   2.658  -0.623
  122   2HG   LYS  17          2HG       LYS  17  -4.916   1.250  -1.153
  123   1HD   LYS  17          1HD       LYS  17  -6.729   2.597  -1.873
  124   2HD   LYS  17          2HD       LYS  17  -6.082   4.025  -1.059
  125   1HE   LYS  17          1HE       LYS  17  -4.483   4.382  -2.671
  126   2HE   LYS  17          2HE       LYS  17  -4.438   2.687  -3.155
  127   1HZ   LYS  17          1HZ       LYS  17  -6.894   3.262  -3.878
  128   2HZ   LYS  17          2HZ       LYS  17  -5.576   3.543  -4.899
  129   3HZ   LYS  17          3HZ       LYS  17  -6.242   4.818  -4.011
  130    HA   PRO  18           HA       PRO  18  -4.673  -2.945   0.386
  131   1HB   PRO  18          1HB       PRO  18  -7.206  -3.770  -0.132
  132   2HB   PRO  18          2HB       PRO  18  -6.509  -3.775   1.491
  133   1HG   PRO  18          1HG       PRO  18  -8.340  -1.775   0.224
  134   2HG   PRO  18          2HG       PRO  18  -8.385  -2.453   1.862
  135   1HD   PRO  18          1HD       PRO  18  -7.366  -0.002   1.328
  136   2HD   PRO  18          2HD       PRO  18  -6.741  -1.034   2.632
  137    H    GLU  19           H        GLU  19  -6.135  -0.313  -1.188
  138    HA   GLU  19           HA       GLU  19  -6.427  -1.649  -3.747
  139   1HB   GLU  19          1HB       GLU  19  -6.575   1.318  -3.478
  140   2HB   GLU  19          2HB       GLU  19  -7.532   0.236  -4.480
  141   1HG   GLU  19          1HG       GLU  19  -8.583  -0.593  -2.325
  142   2HG   GLU  19          2HG       GLU  19  -7.822   0.795  -1.548
  143    H    ALA  20           H        ALA  20  -3.913  -0.334  -2.017
  144    HA   ALA  20           HA       ALA  20  -2.482   0.803  -4.269
  145   1HB   ALA  20          1HB       ALA  20  -1.577   0.336  -1.429
  146   2HB   ALA  20          2HB       ALA  20  -0.713   1.264  -2.656
  147   3HB   ALA  20          3HB       ALA  20  -2.273   1.829  -2.059
  148    H    ILE  21           H        ILE  21  -0.115   0.082  -4.504
  149    HA   ILE  21           HA       ILE  21  -0.076  -2.859  -4.640
  150    HB   ILE  21           HB       ILE  21   1.372  -2.723  -6.526
  151   1HG1  ILE  21          1HG1      ILE  21   1.629   0.147  -5.715
  152   2HG1  ILE  21          2HG1      ILE  21   2.888  -1.007  -6.139
  153   1HG2  ILE  21          1HG2      ILE  21  -0.639  -0.552  -7.032
  154   2HG2  ILE  21          2HG2      ILE  21  -0.059  -1.797  -8.137
  155   3HG2  ILE  21          3HG2      ILE  21  -1.116  -2.233  -6.795
  156   1HD1  ILE  21          1HD1      ILE  21   0.955   0.231  -8.083
  157   2HD1  ILE  21          2HD1      ILE  21   2.616   0.760  -7.813
  158   3HD1  ILE  21          3HD1      ILE  21   2.298  -0.845  -8.472
  159    H    LYS  22           H        LYS  22   1.357  -0.154  -3.186
  160    HA   LYS  22           HA       LYS  22   3.248  -1.812  -1.787
  161   1HB   LYS  22          1HB       LYS  22   5.167  -0.218  -2.375
  162   2HB   LYS  22          2HB       LYS  22   4.706  -1.410  -3.583
  163   1HG   LYS  22          1HG       LYS  22   3.342   0.345  -4.701
  164   2HG   LYS  22          2HG       LYS  22   4.000   1.515  -3.555
  165   1HD   LYS  22          1HD       LYS  22   5.326   1.689  -5.505
  166   2HD   LYS  22          2HD       LYS  22   6.295   0.790  -4.335
  167   1HE   LYS  22          1HE       LYS  22   6.596  -0.623  -6.065
  168   2HE   LYS  22          2HE       LYS  22   5.021  -1.241  -5.570
  169   1HZ   LYS  22          1HZ       LYS  22   5.759   0.087  -7.979
  170   2HZ   LYS  22          2HZ       LYS  22   4.461   0.867  -7.226
  171   3HZ   LYS  22          3HZ       LYS  22   4.349  -0.775  -7.618
  172    H    CYS  23           H        CYS  23   4.586  -0.389  -0.235
  173    HA   CYS  23           HA       CYS  23   2.834   1.013   1.425
  174   1HB   CYS  23          1HB       CYS  23   5.237  -0.024   1.833
  175   2HB   CYS  23          2HB       CYS  23   5.755   1.628   1.518
  176    H    VAL  24           H        VAL  24   2.984   3.289   2.096
  177    HA   VAL  24           HA       VAL  24   3.425   5.034  -0.236
  178    HB   VAL  24           HB       VAL  24   1.075   4.821   0.742
  179   1HG1  VAL  24          1HG1      VAL  24   1.613   6.862   2.745
  180   2HG1  VAL  24          2HG1      VAL  24   0.633   5.398   2.853
  181   3HG1  VAL  24          3HG1      VAL  24   2.374   5.316   3.120
  182   1HG2  VAL  24          1HG2      VAL  24   0.555   6.967   0.078
  183   2HG2  VAL  24          2HG2      VAL  24   1.992   7.663   0.828
  184   3HG2  VAL  24          2HG3      VAL  24   2.137   6.743  -0.671
  185    H    ALA  25           H        ALA  25   5.332   4.157   1.944
  186    HA   ALA  25           HA       ALA  25   6.305   6.846   2.572
  187   1HB   ALA  25          1HB       ALA  25   5.863   6.668   4.738
  188   2HB   ALA  25          2HB       ALA  25   5.204   5.050   4.499
  189   3HB   ALA  25          3HB       ALA  25   6.924   5.262   4.819
  190    H    CYS  26           H        CYS  26   6.988   3.362   2.643
  191    HA   CYS  26           HA       CYS  26   9.825   3.971   2.150
  192   1HB   CYS  26          1HB       CYS  26  10.394   1.891   3.126
  193   2HB   CYS  26          2HB       CYS  26   9.163   2.579   4.181
  194    H    GLU  27           H        GLU  27   6.998   2.817   0.704
  195    HA   GLU  27           HA       GLU  27   6.573   2.090  -1.417
  196   1HB   GLU  27          1HB       GLU  27   9.505   2.013  -2.042
  197   2HB   GLU  27          2HB       GLU  27   8.154   2.367  -3.111
  198   1HG   GLU  27          1HG       GLU  27   7.849   4.446  -1.569
  199   2HG   GLU  27          2HG       GLU  27   9.532   4.136  -1.150
  200    H    THR  28           H        THR  28   6.746   0.263   0.643
  201    HA   THR  28           HA       THR  28   8.391  -1.972  -0.083
  202    HB   THR  28           HB       THR  28   6.802  -1.244   2.164
  203    HG1  THR  28           1HG      THR  28   8.934  -2.066   2.241
  204   1HG2  THR  28          1HG2      THR  28   6.210  -4.037   1.183
  205   2HG2  THR  28          2HG2      THR  28   5.069  -2.694   1.105
  206   3HG2  THR  28          3HG2      THR  28   5.632  -3.285   2.668
  207    HA   PRO  29           HA       PRO  29   5.769  -3.881  -3.059
  208   1HB   PRO  29          1HB       PRO  29   6.587  -6.455  -2.780
  209   2HB   PRO  29          2HB       PRO  29   7.569  -5.215  -3.570
  210   1HG   PRO  29          1HG       PRO  29   7.745  -6.275  -0.776
  211   2HG   PRO  29          2HG       PRO  29   9.050  -5.916  -1.920
  212   1HD   PRO  29          1HD       PRO  29   8.370  -4.234   0.089
  213   2HD   PRO  29          2HD       PRO  29   8.994  -3.655  -1.469
  214    H    LYS  30           H        LYS  30   3.649  -4.011  -2.640
  215    HA   LYS  30           HA       LYS  30   2.425  -4.904  -0.327
  216   1HB   LYS  30          1HB       LYS  30   1.163  -3.624  -1.900
  217   2HB   LYS  30          2HB       LYS  30   1.419  -4.813  -3.170
  218   1HG   LYS  30          1HG       LYS  30   0.153  -6.407  -1.538
  219   2HG   LYS  30          2HG       LYS  30  -0.438  -4.896  -0.842
  220   1HD   LYS  30          1HD       LYS  30  -0.832  -4.402  -3.465
  221   2HD   LYS  30          2HD       LYS  30  -1.039  -6.156  -3.442
  222   1HE   LYS  30          1HE       LYS  30  -2.865  -6.048  -2.016
  223   2HE   LYS  30          2HE       LYS  30  -2.426  -4.450  -1.414
  224   1HZ   LYS  30          1HZ       LYS  30  -3.573  -3.462  -3.027
  225   2HZ   LYS  30          2HZ       LYS  30  -4.296  -4.965  -3.310
  226   3HZ   LYS  30          3HZ       LYS  30  -2.963  -4.481  -4.232
  227    HA   PRO  31           HA       PRO  31   2.811  -9.289  -0.378
  228   1HB   PRO  31          1HB       PRO  31   0.698  -9.922   1.204
  229   2HB   PRO  31          2HB       PRO  31   2.192  -9.218   1.834
  230   1HG   PRO  31          1HG       PRO  31  -0.410  -7.883   1.198
  231   2HG   PRO  31          2HG       PRO  31   0.652  -7.652   2.598
  232   1HD   PRO  31          1HD       PRO  31   0.616  -5.941   0.500
  233   2HD   PRO  31          2HD       PRO  31   2.086  -6.267   1.442
  Start of MODEL   11
    1   1H    GLY   0          1H        GLY   0 -15.521  -7.584  -9.464
    2   1HA   GLY   0          1HA       GLY   0 -14.391  -6.067  -8.164
    3   2HA   GLY   0          2HA       GLY   0 -15.404  -6.591  -6.826
    4    H    HIS   1           H        HIS   1 -13.444  -6.221  -5.554
    5    HA   HIS   1           HA       HIS   1 -11.787  -8.642  -5.513
    6   1HB   HIS   1          1HB       HIS   1  -9.787  -7.271  -5.006
    7   2HB   HIS   1          2HB       HIS   1 -10.431  -6.952  -6.614
    8    HD1  HIS   1           HD1      HIS   1  -9.127  -5.213  -3.832
    9    HD2  HIS   1           HD2      HIS   1 -12.303  -4.544  -6.425
   10    HE1  HIS   1           HE1      HIS   1  -9.641  -2.759  -3.645
   11    H    MET   2           H        MET   2 -11.474  -9.481  -3.530
   12    HA   MET   2           HA       MET   2 -13.025  -8.758  -1.364
   13   1HB   MET   2          1HB       MET   2 -11.827 -10.345  -0.101
   14   2HB   MET   2          2HB       MET   2 -11.747 -10.931  -1.757
   15   1HG   MET   2          1HG       MET   2  -9.564  -9.304  -0.493
   16   2HG   MET   2          2HG       MET   2  -9.621 -11.064  -0.423
   17   1HE   MET   2          1HE       MET   2  -6.830  -9.837  -3.079
   18   2HE   MET   2          2HE       MET   2  -7.513  -8.655  -1.962
   19   3HE   MET   2          3HE       MET   2  -7.082 -10.267  -1.388
   20    H    VAL   3           H        VAL   3 -12.769  -7.491   0.425
   21    HA   VAL   3           HA       VAL   3 -10.408  -5.727   0.443
   22    HB   VAL   3           HB       VAL   3 -13.290  -5.186   1.005
   23   1HG1  VAL   3          1HG1      VAL   3 -12.661  -3.108   2.189
   24   2HG1  VAL   3          2HG1      VAL   3 -12.242  -4.567   3.090
   25   3HG1  VAL   3          3HG1      VAL   3 -10.990  -3.669   2.230
   26   1HG2  VAL   3          1HG2      VAL   3 -11.523  -4.523  -1.014
   27   2HG2  VAL   3          2HG2      VAL   3 -13.092  -3.775  -0.714
   28   3HG2  VAL   3          3HG2      VAL   3 -11.629  -3.050  -0.049
   29    H    ILE   4           H        ILE   4  -9.059  -6.129   2.057
   30    HA   ILE   4           HA       ILE   4 -10.090  -7.370   4.509
   31    HB   ILE   4           HB       ILE   4  -7.172  -7.043   3.900
   32   1HG1  ILE   4          1HG1      ILE   4  -7.491  -9.504   3.007
   33   2HG1  ILE   4          2HG1      ILE   4  -9.118  -8.940   2.646
   34   1HG2  ILE   4          1HG2      ILE   4  -8.142  -7.836   6.134
   35   2HG2  ILE   4          2HG2      ILE   4  -8.553  -9.323   5.278
   36   3HG2  ILE   4          3HG2      ILE   4  -6.869  -8.812   5.399
   37   1HD1  ILE   4          1HD1      ILE   4  -6.811  -8.632   1.100
   38   2HD1  ILE   4          2HD1      ILE   4  -8.407  -7.937   0.812
   39   3HD1  ILE   4          3HD1      ILE   4  -7.201  -7.028   1.722
   40    H    GLY   5           H        GLY   5  -8.870  -4.426   3.271
   41   1HA   GLY   5          1HA       GLY   5  -9.164  -2.416   4.567
   42   2HA   GLY   5          2HA       GLY   5  -8.782  -3.344   6.010
   43    H    THR   6           H        THR   6  -7.566  -0.892   5.302
   44    HA   THR   6           HA       THR   6  -5.207  -0.887   3.954
   45    HB   THR   6           HB       THR   6  -4.336   0.714   5.696
   46    HG1  THR   6           1HG      THR   6  -5.233   0.384   7.596
   47   1HG2  THR   6          1HG2      THR   6  -5.384   2.111   4.301
   48   2HG2  THR   6          2HG2      THR   6  -6.760   2.051   5.403
   49   3HG2  THR   6          3HG2      THR   6  -6.688   0.956   4.022
   50    H    TRP   7           H        TRP   7  -3.277  -1.848   4.094
   51    HA   TRP   7           HA       TRP   7  -2.830  -3.716   6.293
   52   1HB   TRP   7          1HB       TRP   7  -0.834  -4.378   4.784
   53   2HB   TRP   7          2HB       TRP   7  -2.460  -4.784   4.245
   54    HD1  TRP   7           1HD      TRP   7  -3.529  -3.034   2.352
   55    HE1  TRP   7           1HE      TRP   7  -2.327  -1.832   0.419
   56    HE3  TRP   7           3HE      TRP   7   1.281  -3.387   4.046
   57    HZ2  TRP   7           2HZ      TRP   7   0.313  -1.127  -0.293
   58    HZ3  TRP   7           3HZ      TRP   7   3.086  -2.424   2.679
   59    HH2  TRP   7           2HH      TRP   7   2.611  -1.318   0.555
   60    H    ASP   8           H        ASP   8  -1.211  -3.548   7.756
   61    HA   ASP   8           HA       ASP   8   0.225  -1.009   7.833
   62   1HB   ASP   8          1HB       ASP   8   0.037  -3.197   9.914
   63   2HB   ASP   8          2HB       ASP   8   0.763  -1.609  10.147
   64    H    CYS   9           H        CYS   9   2.339  -0.800   7.445
   65    HA   CYS   9           HA       CYS   9   3.828  -2.856   6.252
   66   1HB   CYS   9          1HB       CYS   9   4.132  -0.271   6.157
   67   2HB   CYS   9          2HB       CYS   9   5.138  -0.504   7.582
   68    H    ASP  10           H        ASP  10   6.000  -3.600   7.045
   69    HA   ASP  10           HA       ASP  10   6.004  -4.055   9.951
   70   1HB   ASP  10          1HB       ASP  10   6.492  -6.364   9.697
   71   2HB   ASP  10          2HB       ASP  10   5.135  -6.039   8.621
   72    H    THR  11           H        THR  11   7.530  -2.437   7.770
   73    HA   THR  11           HA       THR  11  10.207  -3.116   8.793
   74    HB   THR  11           HB       THR  11   9.329  -2.746   5.983
   75    HG1  THR  11           1HG      THR  11  10.086  -4.760   6.779
   76   1HG2  THR  11          1HG2      THR  11  10.668  -0.825   6.010
   77   2HG2  THR  11          2HG2      THR  11  11.759  -2.092   5.447
   78   3HG2  THR  11          3HG3      THR  11  11.833  -1.543   7.121
   79    H    CYS  12           H        CYS  12   8.139  -0.610   7.376
   80    HA   CYS  12           HA       CYS  12   9.839   1.428   8.653
   81   1HB   CYS  12          1HB       CYS  12   9.361   2.897   6.946
   82   2HB   CYS  12          2HB       CYS  12   9.289   1.372   6.070
   83    H    LEU  13           H        LEU  13   6.951  -0.197   8.980
   84    HA   LEU  13           HA       LEU  13   5.130   0.072  10.315
   85   1HB   LEU  13          1HB       LEU  13   7.111   1.949  11.491
   86   2HB   LEU  13          2HB       LEU  13   5.437   2.072  12.026
   87    HG   LEU  13           HG       LEU  13   5.716  -0.512  12.433
   88   1HD1  LEU  13          1HD1      LEU  13   7.969  -0.598  11.430
   89   2HD1  LEU  13          2HD1      LEU  13   7.944  -1.138  13.108
   90   3HD1  LEU  13          3HD1      LEU  13   8.553   0.468  12.709
   91   1HD2  LEU  13          1HD2      LEU  13   6.123  -0.059  14.707
   92   2HD2  LEU  13          2HD2      LEU  13   5.309   1.377  14.082
   93   3HD2  LEU  13          3HD2      LEU  13   7.055   1.391  14.336
   94    H    VAL  14           H        VAL  14   3.952   0.726   8.415
   95    HA   VAL  14           HA       VAL  14   2.701   3.297   8.767
   96    HB   VAL  14           HB       VAL  14   4.405   2.745   6.350
   97   1HG1  VAL  14          1HG1      VAL  14   1.887   4.303   6.542
   98   2HG1  VAL  14          2HG1      VAL  14   3.215   5.002   5.613
   99   3HG1  VAL  14          3HG1      VAL  14   2.572   3.418   5.180
  100   1HG2  VAL  14          1HG2      VAL  14   4.169   5.004   8.324
  101   2HG2  VAL  14          2HG2      VAL  14   5.560   3.963   8.020
  102   3HG2  VAL  14          3HG2      VAL  14   5.062   5.145   6.809
  103    H    GLN  15           H        GLN  15   0.617   3.223   8.156
  104    HA   GLN  15           HA       GLN  15  -0.390   0.744   7.054
  105   1HB   GLN  15          1HB       GLN  15  -1.869   3.228   7.938
  106   2HB   GLN  15          2HB       GLN  15  -2.607   1.686   7.527
  107   1HG   GLN  15          1HG       GLN  15  -1.227   0.681   9.391
  108   2HG   GLN  15          2HG       GLN  15  -0.856   2.334   9.875
  109   1HE2  GLN  15          2HE2      GLN  15  -2.969   3.736   9.892
  110   2HE2  GLN  15          1HE2      GLN  15  -4.274   3.040  10.784
  111    H    ASN  16           H        ASN  16  -1.532   0.509   5.141
  112    HA   ASN  16           HA       ASN  16  -1.708   2.806   3.345
  113   1HB   ASN  16          1HB       ASN  16  -0.618   0.276   2.190
  114   2HB   ASN  16          2HB       ASN  16  -0.393   1.940   1.657
  115   1HD2  ASN  16          2HD2      ASN  16   0.316  -0.113   4.463
  116   2HD2  ASN  16          1HD2      ASN  16   1.911   0.497   4.720
  117    H    LYS  17           H        LYS  17  -3.272   2.610   1.728
  118    HA   LYS  17           HA       LYS  17  -5.525   1.056   2.362
  119   1HB   LYS  17          1HB       LYS  17  -6.561   2.040   0.515
  120   2HB   LYS  17          2HB       LYS  17  -5.362   3.235   0.989
  121   1HG   LYS  17          1HG       LYS  17  -3.925   2.630  -0.798
  122   2HG   LYS  17          2HG       LYS  17  -4.885   1.198  -1.169
  123   1HD   LYS  17          1HD       LYS  17  -5.700   2.596  -2.771
  124   2HD   LYS  17          2HD       LYS  17  -6.793   3.025  -1.453
  125   1HE   LYS  17          1HE       LYS  17  -5.230   4.879  -0.864
  126   2HE   LYS  17          2HE       LYS  17  -4.304   4.494  -2.315
  127   1HZ   LYS  17          1HZ       LYS  17  -5.855   5.398  -3.652
  128   2HZ   LYS  17          2HZ       LYS  17  -6.261   6.281  -2.268
  129   3HZ   LYS  17          3HZ       LYS  17  -7.157   4.910  -2.688
  130    HA   PRO  18           HA       PRO  18  -4.684  -2.839   0.501
  131   1HB   PRO  18          1HB       PRO  18  -7.223  -3.671   0.015
  132   2HB   PRO  18          2HB       PRO  18  -6.523  -3.618   1.638
  133   1HG   PRO  18          1HG       PRO  18  -8.345  -1.657   0.296
  134   2HG   PRO  18          2HG       PRO  18  -8.392  -2.273   1.959
  135   1HD   PRO  18          1HD       PRO  18  -7.360   0.151   1.332
  136   2HD   PRO  18          2HD       PRO  18  -6.740  -0.833   2.673
  137    H    GLU  19           H        GLU  19  -6.147  -0.264  -1.170
  138    HA   GLU  19           HA       GLU  19  -6.433  -1.698  -3.678
  139   1HB   GLU  19          1HB       GLU  19  -8.100  -0.104  -3.512
  140   2HB   GLU  19          2HB       GLU  19  -7.050   1.065  -2.724
  141   1HG   GLU  19          1HG       GLU  19  -7.663   1.766  -4.975
  142   2HG   GLU  19          2HG       GLU  19  -5.926   1.513  -4.821
  143    H    ALA  20           H        ALA  20  -3.925  -0.315  -1.998
  144    HA   ALA  20           HA       ALA  20  -2.499   0.763  -4.278
  145   1HB   ALA  20          1HB       ALA  20  -0.694   1.187  -2.653
  146   2HB   ALA  20          2HB       ALA  20  -2.239   1.869  -2.144
  147   3HB   ALA  20          3HB       ALA  20  -1.649   0.378  -1.411
  148    H    ILE  21           H        ILE  21  -0.121   0.035  -4.485
  149    HA   ILE  21           HA       ILE  21  -0.074  -2.911  -4.525
  150    HB   ILE  21           HB       ILE  21   0.957  -2.931  -6.560
  151   1HG1  ILE  21          1HG1      ILE  21   2.071  -0.221  -5.838
  152   2HG1  ILE  21          2HG1      ILE  21   2.948  -1.734  -6.032
  153   1HG2  ILE  21          1HG2      ILE  21  -0.600  -0.357  -6.524
  154   2HG2  ILE  21          2HG2      ILE  21   0.023  -1.089  -8.001
  155   3HG2  ILE  21          3HG2      ILE  21  -1.155  -1.957  -7.018
  156   1HD1  ILE  21          1HD1      ILE  21   3.469  -0.686  -7.987
  157   2HD1  ILE  21          2HD1      ILE  21   2.029  -1.575  -8.483
  158   3HD1  ILE  21          3HD1      ILE  21   1.915   0.139  -8.089
  159    H    LYS  22           H        LYS  22   1.331  -0.157  -3.191
  160    HA   LYS  22           HA       LYS  22   3.377  -1.739  -1.903
  161   1HB   LYS  22          1HB       LYS  22   5.206  -0.162  -2.519
  162   2HB   LYS  22          2HB       LYS  22   4.602  -1.106  -3.875
  163   1HG   LYS  22          1HG       LYS  22   3.179   0.860  -4.493
  164   2HG   LYS  22          2HG       LYS  22   4.039   1.782  -3.257
  165   1HD   LYS  22          1HD       LYS  22   4.964   2.096  -5.537
  166   2HD   LYS  22          2HD       LYS  22   6.137   1.441  -4.392
  167   1HE   LYS  22          1HE       LYS  22   6.102  -0.659  -5.361
  168   2HE   LYS  22          2HE       LYS  22   4.513  -0.412  -6.084
  169   1HZ   LYS  22          1HZ       LYS  22   6.957   1.035  -6.945
  170   2HZ   LYS  22          2HZ       LYS  22   5.449   1.030  -7.709
  171   3HZ   LYS  22          3HZ       LYS  22   6.389  -0.376  -7.688
  172    H    CYS  23           H        CYS  23   4.790  -0.066  -0.516
  173    HA   CYS  23           HA       CYS  23   2.909   1.181   1.244
  174   1HB   CYS  23          1HB       CYS  23   5.245   0.029   1.725
  175   2HB   CYS  23          2HB       CYS  23   5.845   1.668   1.488
  176    H    VAL  24           H        VAL  24   2.934   3.405   1.906
  177    HA   VAL  24           HA       VAL  24   3.598   5.207  -0.317
  178    HB   VAL  24           HB       VAL  24   1.217   5.067   0.560
  179   1HG1  VAL  24          1HG1      VAL  24   2.357   6.680   2.836
  180   2HG1  VAL  24          2HG1      VAL  24   0.668   6.230   2.590
  181   3HG1  VAL  24          3HG1      VAL  24   1.869   4.991   2.958
  182   1HG2  VAL  24          1HG2      VAL  24   2.784   7.283  -0.274
  183   2HG2  VAL  24          2HG2      VAL  24   1.060   7.001  -0.518
  184   3HG2  VAL  24          2HG3      VAL  24   1.619   7.852   0.922
  185    H    ALA  25           H        ALA  25   5.348   4.185   1.979
  186    HA   ALA  25           HA       ALA  25   6.401   6.827   2.705
  187   1HB   ALA  25          1HB       ALA  25   5.657   4.613   4.563
  188   2HB   ALA  25          2HB       ALA  25   7.003   5.678   4.966
  189   3HB   ALA  25          3HB       ALA  25   5.391   6.349   4.719
  190    H    CYS  26           H        CYS  26   7.006   3.329   2.624
  191    HA   CYS  26           HA       CYS  26   9.861   3.903   2.183
  192   1HB   CYS  26          1HB       CYS  26  10.397   1.802   3.132
  193   2HB   CYS  26          2HB       CYS  26   9.174   2.496   4.193
  194    H    GLU  27           H        GLU  27   7.039   2.898   0.670
  195    HA   GLU  27           HA       GLU  27   6.609   2.181  -1.450
  196   1HB   GLU  27          1HB       GLU  27   9.568   2.114  -1.995
  197   2HB   GLU  27          2HB       GLU  27   8.253   2.375  -3.131
  198   1HG   GLU  27          1HG       GLU  27   8.938   4.512  -2.940
  199   2HG   GLU  27          2HG       GLU  27   7.848   4.481  -1.555
  200    H    THR  28           H        THR  28   6.967   0.347   0.711
  201    HA   THR  28           HA       THR  28   8.485  -1.914  -0.125
  202    HB   THR  28           HB       THR  28   6.742  -1.244   2.121
  203    HG1  THR  28           1HG      THR  28   8.291  -2.776   3.093
  204   1HG2  THR  28          1HG2      THR  28   5.295  -2.972   1.444
  205   2HG2  THR  28          2HG2      THR  28   6.362  -3.721   2.632
  206   3HG2  THR  28          3HG2      THR  28   6.629  -3.995   0.911
  207    HA   PRO  29           HA       PRO  29   5.736  -3.775  -3.013
  208   1HB   PRO  29          1HB       PRO  29   6.516  -6.363  -2.766
  209   2HB   PRO  29          2HB       PRO  29   7.494  -5.140  -3.584
  210   1HG   PRO  29          1HG       PRO  29   7.739  -6.209  -0.799
  211   2HG   PRO  29          2HG       PRO  29   9.015  -5.870  -1.984
  212   1HD   PRO  29          1HD       PRO  29   8.429  -4.182   0.051
  213   2HD   PRO  29          2HD       PRO  29   9.012  -3.611  -1.526
  214    H    LYS  30           H        LYS  30   3.629  -3.836  -2.497
  215    HA   LYS  30           HA       LYS  30   2.460  -4.713  -0.162
  216   1HB   LYS  30          1HB       LYS  30   1.169  -3.426  -1.702
  217   2HB   LYS  30          2HB       LYS  30   1.376  -4.620  -2.976
  218   1HG   LYS  30          1HG       LYS  30   0.137  -6.194  -1.298
  219   2HG   LYS  30          2HG       LYS  30  -0.423  -4.671  -0.603
  220   1HD   LYS  30          1HD       LYS  30  -0.951  -4.124  -3.136
  221   2HD   LYS  30          2HD       LYS  30  -1.008  -5.884  -3.257
  222   1HE   LYS  30          1HE       LYS  30  -3.209  -5.309  -2.780
  223   2HE   LYS  30          2HE       LYS  30  -2.559  -5.757  -1.204
  224   1HZ   LYS  30          1HZ       LYS  30  -3.367  -3.139  -2.206
  225   2HZ   LYS  30          2HZ       LYS  30  -2.031  -3.180  -1.170
  226   3HZ   LYS  30          3HZ       LYS  30  -3.519  -3.798  -0.655
  227    HA   PRO  31           HA       PRO  31   2.776  -9.104  -0.190
  228   1HB   PRO  31          1HB       PRO  31   0.698  -9.694   1.454
  229   2HB   PRO  31          2HB       PRO  31   2.219  -9.008   2.036
  230   1HG   PRO  31          1HG       PRO  31  -0.379  -7.637   1.463
  231   2HG   PRO  31          2HG       PRO  31   0.725  -7.414   2.832
  232   1HD   PRO  31          1HD       PRO  31   0.657  -5.717   0.723
  233   2HD   PRO  31          2HD       PRO  31   2.147  -6.058   1.626
  Start of MODEL   12
    1   1H    GLY   0          1H        GLY   0 -17.152  -4.029   8.209
    2   1HA   GLY   0          1HA       GLY   0 -19.673  -2.642   8.389
    3   2HA   GLY   0          2HA       GLY   0 -18.087  -1.978   8.753
    4    H    HIS   1           H        HIS   1 -20.253  -0.736   7.280
    5    HA   HIS   1           HA       HIS   1 -20.270  -0.702   4.608
    6   1HB   HIS   1          1HB       HIS   1 -19.988   1.746   6.362
    7   2HB   HIS   1          2HB       HIS   1 -20.521   1.771   4.684
    8    HD1  HIS   1           HD1      HIS   1 -22.469   2.921   6.574
    9    HD2  HIS   1           HD2      HIS   1 -22.331  -1.161   5.813
   10    HE1  HIS   1           HE1      HIS   1 -24.740   2.042   7.201
   11    H    MET   2           H        MET   2 -17.884   1.266   6.394
   12    HA   MET   2           HA       MET   2 -16.304   1.886   4.169
   13   1HB   MET   2          1HB       MET   2 -14.816   2.852   5.656
   14   2HB   MET   2          2HB       MET   2 -16.308   2.864   6.587
   15   1HG   MET   2          1HG       MET   2 -13.968   1.007   6.862
   16   2HG   MET   2          2HG       MET   2 -14.603   2.147   8.045
   17   1HE   MET   2          1HE       MET   2 -16.971   0.448  10.056
   18   2HE   MET   2          2HE       MET   2 -15.246   0.122  10.231
   19   3HE   MET   2          3HE       MET   2 -15.796   1.724   9.734
   20    H    VAL   3           H        VAL   3 -13.904   1.225   4.060
   21    HA   VAL   3           HA       VAL   3 -13.776  -1.715   4.182
   22    HB   VAL   3           HB       VAL   3 -12.151  -1.619   2.365
   23   1HG1  VAL   3          1HG1      VAL   3 -14.296   0.091   1.271
   24   2HG1  VAL   3          2HG1      VAL   3 -13.723  -1.492   0.742
   25   3HG1  VAL   3          3HG1      VAL   3 -14.811  -1.363   2.124
   26   1HG2  VAL   3          1HG2      VAL   3 -12.127   0.758   1.192
   27   2HG2  VAL   3          2HG2      VAL   3 -12.374   1.304   2.851
   28   3HG2  VAL   3          3HG2      VAL   3 -10.962   0.328   2.445
   29    H    ILE   4           H        ILE   4 -12.795  -2.137   6.093
   30    HA   ILE   4           HA       ILE   4 -10.408  -0.632   6.848
   31    HB   ILE   4           HB       ILE   4 -10.598  -2.283   8.887
   32   1HG1  ILE   4          1HG1      ILE   4 -13.483  -2.195   8.014
   33   2HG1  ILE   4          2HG1      ILE   4 -12.438  -3.567   7.655
   34   1HG2  ILE   4          1HG2      ILE   4 -12.332   0.105   8.327
   35   2HG2  ILE   4          2HG2      ILE   4 -12.285  -0.677   9.905
   36   3HG2  ILE   4          3HG2      ILE   4 -10.819   0.032   9.230
   37   1HD1  ILE   4          1HD1      ILE   4 -12.198  -2.973  10.417
   38   2HD1  ILE   4          2HD1      ILE   4 -13.911  -3.037  10.005
   39   3HD1  ILE   4          3HD1      ILE   4 -12.866  -4.412   9.647
   40    H    GLY   5           H        GLY   5  -9.756  -1.950   4.660
   41   1HA   GLY   5          1HA       GLY   5  -8.564  -4.515   5.453
   42   2HA   GLY   5          2HA       GLY   5  -8.762  -3.941   3.803
   43    H    THR   6           H        THR   6  -7.714  -1.265   5.122
   44    HA   THR   6           HA       THR   6  -5.294  -1.038   4.004
   45    HB   THR   6           HB       THR   6  -4.608   0.484   5.888
   46    HG1  THR   6           1HG      THR   6  -5.617  -0.435   7.645
   47   1HG2  THR   6          1HG2      THR   6  -6.980   0.687   4.196
   48   2HG2  THR   6          2HG2      THR   6  -5.687   1.854   4.477
   49   3HG2  THR   6          3HG2      THR   6  -7.036   1.742   5.607
   50    H    TRP   7           H        TRP   7  -3.268  -1.791   4.228
   51    HA   TRP   7           HA       TRP   7  -2.792  -3.738   6.375
   52   1HB   TRP   7          1HB       TRP   7  -0.816  -4.379   4.841
   53   2HB   TRP   7          2HB       TRP   7  -2.442  -4.815   4.325
   54    HD1  TRP   7           1HD      TRP   7  -3.573  -2.959   2.507
   55    HE1  TRP   7           1HE      TRP   7  -2.408  -1.807   0.522
   56    HE3  TRP   7           3HE      TRP   7   1.290  -3.552   3.964
   57    HZ2  TRP   7           2HZ      TRP   7   0.225  -1.227  -0.316
   58    HZ3  TRP   7           3HZ      TRP   7   3.073  -2.671   2.515
   59    HH2  TRP   7           2HH      TRP   7   2.549  -1.534   0.419
   60    H    ASP   8           H        ASP   8  -1.081  -3.561   7.755
   61    HA   ASP   8           HA       ASP   8   0.302  -0.979   7.751
   62   1HB   ASP   8          1HB       ASP   8   0.506  -2.942  10.001
   63   2HB   ASP   8          2HB       ASP   8   0.540  -1.181  10.048
   64    H    CYS   9           H        CYS   9   2.456  -0.779   7.500
   65    HA   CYS   9           HA       CYS   9   3.942  -2.843   6.313
   66   1HB   CYS   9          1HB       CYS   9   4.272  -0.231   6.327
   67   2HB   CYS   9          2HB       CYS   9   5.312  -0.576   7.705
   68    H    ASP  10           H        ASP  10   6.168  -3.497   7.195
   69    HA   ASP  10           HA       ASP  10   5.997  -4.102  10.068
   70   1HB   ASP  10          1HB       ASP  10   5.399  -6.020   8.377
   71   2HB   ASP  10          2HB       ASP  10   7.146  -6.116   8.174
   72    H    THR  11           H        THR  11   7.632  -2.447   7.879
   73    HA   THR  11           HA       THR  11  10.237  -2.955   9.165
   74    HB   THR  11           HB       THR  11   9.617  -2.411   6.277
   75    HG1  THR  11           1HG      THR  11  11.283  -4.113   6.142
   76   1HG2  THR  11          1HG2      THR  11  12.045  -1.980   5.941
   77   2HG2  THR  11          2HG2      THR  11  12.230  -1.877   7.693
   78   3HG2  THR  11          3HG3      THR  11  11.225  -0.705   6.841
   79    H    CYS  12           H        CYS  12   8.583  -0.484   7.186
   80    HA   CYS  12           HA       CYS  12  10.000   1.623   8.592
   81   1HB   CYS  12          1HB       CYS  12   9.384   3.024   6.875
   82   2HB   CYS  12          2HB       CYS  12   9.338   1.476   6.037
   83    H    LEU  13           H        LEU  13   6.985   0.009   8.758
   84    HA   LEU  13           HA       LEU  13   5.259   0.190  10.236
   85   1HB   LEU  13          1HB       LEU  13   6.524   2.602  11.474
   86   2HB   LEU  13          2HB       LEU  13   5.510   1.370  12.224
   87    HG   LEU  13           HG       LEU  13   8.396   1.076  11.398
   88   1HD1  LEU  13          1HD1      LEU  13   7.115   1.967  13.799
   89   2HD1  LEU  13          2HD1      LEU  13   8.835   1.840  13.431
   90   3HD1  LEU  13          3HD1      LEU  13   7.973   0.457  14.103
   91   1HD2  LEU  13          1HD2      LEU  13   6.999  -1.004  12.977
   92   2HD2  LEU  13          2HD2      LEU  13   8.308  -1.155  11.804
   93   3HD2  LEU  13          3HD2      LEU  13   6.648  -0.933  11.251
   94    H    VAL  14           H        VAL  14   4.181   0.874   8.217
   95    HA   VAL  14           HA       VAL  14   2.864   3.429   8.633
   96    HB   VAL  14           HB       VAL  14   4.326   2.803   6.065
   97   1HG1  VAL  14          1HG1      VAL  14   3.397   5.220   5.579
   98   2HG1  VAL  14          2HG1      VAL  14   2.433   3.784   5.228
   99   3HG1  VAL  14          3HG1      VAL  14   2.132   4.712   6.697
  100   1HG2  VAL  14          1HG2      VAL  14   5.641   3.764   7.976
  101   2HG2  VAL  14          2HG2      VAL  14   5.630   4.746   6.511
  102   3HG2  VAL  14          3HG2      VAL  14   4.611   5.191   7.879
  103    H    GLN  15           H        GLN  15   0.758   3.321   8.130
  104    HA   GLN  15           HA       GLN  15  -0.288   0.827   7.111
  105   1HB   GLN  15          1HB       GLN  15  -1.633   3.342   8.104
  106   2HB   GLN  15          2HB       GLN  15  -2.509   1.924   7.546
  107   1HG   GLN  15          1HG       GLN  15  -2.381   1.942   9.955
  108   2HG   GLN  15          2HG       GLN  15  -1.460   0.587   9.303
  109   1HE2  GLN  15          2HE2      GLN  15  -1.375   3.442  11.166
  110   2HE2  GLN  15          1HE2      GLN  15   0.308   3.414  11.554
  111    H    ASN  16           H        ASN  16  -1.614   0.594   5.282
  112    HA   ASN  16           HA       ASN  16  -1.811   2.827   3.424
  113   1HB   ASN  16          1HB       ASN  16  -0.762   0.277   2.280
  114   2HB   ASN  16          2HB       ASN  16  -0.552   1.932   1.712
  115   1HD2  ASN  16          2HD2      ASN  16   0.278  -0.132   4.473
  116   2HD2  ASN  16          1HD2      ASN  16   1.872   0.500   4.683
  117    H    LYS  17           H        LYS  17  -3.231   2.357   1.593
  118    HA   LYS  17           HA       LYS  17  -5.506   0.817   2.434
  119   1HB   LYS  17          1HB       LYS  17  -6.657   1.793   0.634
  120   2HB   LYS  17          2HB       LYS  17  -5.535   3.039   1.163
  121   1HG   LYS  17          1HG       LYS  17  -4.099   2.661  -0.675
  122   2HG   LYS  17          2HG       LYS  17  -4.930   1.165  -1.106
  123   1HD   LYS  17          1HD       LYS  17  -5.599   2.906  -2.633
  124   2HD   LYS  17          2HD       LYS  17  -6.966   2.491  -1.598
  125   1HE   LYS  17          1HE       LYS  17  -6.587   4.439  -0.235
  126   2HE   LYS  17          2HE       LYS  17  -5.104   4.812  -1.112
  127   1HZ   LYS  17          1HZ       LYS  17  -7.890   5.183  -1.927
  128   2HZ   LYS  17          2HZ       LYS  17  -6.760   4.821  -3.131
  129   3HZ   LYS  17          3HZ       LYS  17  -6.553   6.192  -2.163
  130    HA   PRO  18           HA       PRO  18  -4.666  -2.973   0.376
  131   1HB   PRO  18          1HB       PRO  18  -7.195  -3.810  -0.149
  132   2HB   PRO  18          2HB       PRO  18  -6.497  -3.820   1.475
  133   1HG   PRO  18          1HG       PRO  18  -8.339  -1.824   0.217
  134   2HG   PRO  18          2HG       PRO  18  -8.381  -2.510   1.851
  135   1HD   PRO  18          1HD       PRO  18  -7.376  -0.051   1.331
  136   2HD   PRO  18          2HD       PRO  18  -6.746  -1.085   2.630
  137    H    GLU  19           H        GLU  19  -6.128  -0.336  -1.186
  138    HA   GLU  19           HA       GLU  19  -6.414  -1.661  -3.753
  139   1HB   GLU  19          1HB       GLU  19  -6.598   1.306  -3.391
  140   2HB   GLU  19          2HB       GLU  19  -7.474   0.265  -4.505
  141   1HG   GLU  19          1HG       GLU  19  -7.904   0.447  -1.532
  142   2HG   GLU  19          2HG       GLU  19  -8.943   1.125  -2.782
  143    H    ALA  20           H        ALA  20  -3.912  -0.341  -2.011
  144    HA   ALA  20           HA       ALA  20  -2.485   0.823  -4.251
  145   1HB   ALA  20          1HB       ALA  20  -1.560   0.325  -1.424
  146   2HB   ALA  20          2HB       ALA  20  -0.726   1.293  -2.640
  147   3HB   ALA  20          3HB       ALA  20  -2.291   1.816  -2.017
  148    H    ILE  21           H        ILE  21  -0.124   0.117  -4.517
  149    HA   ILE  21           HA       ILE  21  -0.071  -2.822  -4.684
  150    HB   ILE  21           HB       ILE  21   0.053  -1.929  -6.876
  151   1HG1  ILE  21          1HG1      ILE  21   2.264  -2.647  -7.635
  152   2HG1  ILE  21          2HG1      ILE  21   2.889  -2.510  -5.994
  153   1HG2  ILE  21          1HG2      ILE  21   1.486   0.210  -5.572
  154   2HG2  ILE  21          2HG2      ILE  21   2.326  -0.333  -7.024
  155   3HG2  ILE  21          3HG2      ILE  21   0.648   0.199  -7.124
  156   1HD1  ILE  21          1HD1      ILE  21   0.918  -4.499  -7.067
  157   2HD1  ILE  21          2HD1      ILE  21   2.511  -4.797  -6.372
  158   3HD1  ILE  21          3HD1      ILE  21   1.187  -4.254  -5.342
  159    H    LYS  22           H        LYS  22   1.380  -0.114  -3.222
  160    HA   LYS  22           HA       LYS  22   3.242  -1.787  -1.805
  161   1HB   LYS  22          1HB       LYS  22   5.171  -0.177  -2.407
  162   2HB   LYS  22          2HB       LYS  22   4.741  -1.436  -3.557
  163   1HG   LYS  22          1HG       LYS  22   4.927   0.361  -4.950
  164   2HG   LYS  22          2HG       LYS  22   3.207   0.437  -4.561
  165   1HD   LYS  22          1HD       LYS  22   3.639   2.120  -2.866
  166   2HD   LYS  22          2HD       LYS  22   5.376   2.004  -3.162
  167   1HE   LYS  22          1HE       LYS  22   4.660   3.917  -4.335
  168   2HE   LYS  22          2HE       LYS  22   4.865   2.662  -5.557
  169   1HZ   LYS  22          1HZ       LYS  22   2.459   4.007  -4.677
  170   2HZ   LYS  22          2HZ       LYS  22   2.298   2.337  -4.889
  171   3HZ   LYS  22          3HZ       LYS  22   2.823   3.305  -6.172
  172    H    CYS  23           H        CYS  23   4.533  -0.441  -0.202
  173    HA   CYS  23           HA       CYS  23   2.820   1.020   1.420
  174   1HB   CYS  23          1HB       CYS  23   5.212  -0.039   1.837
  175   2HB   CYS  23          2HB       CYS  23   5.746   1.608   1.515
  176    H    VAL  24           H        VAL  24   2.978   3.297   2.073
  177    HA   VAL  24           HA       VAL  24   3.454   5.026  -0.264
  178    HB   VAL  24           HB       VAL  24   1.093   4.792   0.787
  179   1HG1  VAL  24          1HG1      VAL  24   2.212   5.284   3.107
  180   2HG1  VAL  24          2HG1      VAL  24   1.995   6.967   2.617
  181   3HG1  VAL  24          3HG1      VAL  24   0.599   5.895   2.740
  182   1HG2  VAL  24          1HG2      VAL  24   2.431   7.412   0.157
  183   2HG2  VAL  24          2HG2      VAL  24   1.477   6.391  -0.918
  184   3HG2  VAL  24          2HG3      VAL  24   0.691   7.259   0.401
  185    H    ALA  25           H        ALA  25   5.334   4.150   1.938
  186    HA   ALA  25           HA       ALA  25   6.306   6.838   2.574
  187   1HB   ALA  25          1HB       ALA  25   5.626   6.603   4.691
  188   2HB   ALA  25          2HB       ALA  25   5.348   4.871   4.506
  189   3HB   ALA  25          3HB       ALA  25   6.970   5.472   4.852
  190    H    CYS  26           H        CYS  26   6.985   3.354   2.638
  191    HA   CYS  26           HA       CYS  26   9.827   3.962   2.172
  192   1HB   CYS  26          1HB       CYS  26  10.384   1.874   3.143
  193   2HB   CYS  26          2HB       CYS  26   9.152   2.566   4.192
  194    H    GLU  27           H        GLU  27   7.009   2.812   0.700
  195    HA   GLU  27           HA       GLU  27   6.598   2.082  -1.421
  196   1HB   GLU  27          1HB       GLU  27   9.544   2.065  -2.009
  197   2HB   GLU  27          2HB       GLU  27   8.203   2.346  -3.110
  198   1HG   GLU  27          1HG       GLU  27   7.967   4.531  -2.498
  199   2HG   GLU  27          2HG       GLU  27   8.623   4.265  -0.883
  200    H    THR  28           H        THR  28   6.703   0.235   0.579
  201    HA   THR  28           HA       THR  28   8.395  -1.981  -0.146
  202    HB   THR  28           HB       THR  28   6.818  -1.274   2.118
  203    HG1  THR  28           1HG      THR  28   8.018  -3.555   2.565
  204   1HG2  THR  28          1HG2      THR  28   6.228  -4.056   1.103
  205   2HG2  THR  28          2HG2      THR  28   5.078  -2.718   1.087
  206   3HG2  THR  28          3HG2      THR  28   5.682  -3.343   2.620
  207    HA   PRO  29           HA       PRO  29   5.760  -3.900  -3.102
  208   1HB   PRO  29          1HB       PRO  29   6.567  -6.476  -2.817
  209   2HB   PRO  29          2HB       PRO  29   7.554  -5.244  -3.611
  210   1HG   PRO  29          1HG       PRO  29   7.727  -6.295  -0.814
  211   2HG   PRO  29          2HG       PRO  29   9.034  -5.945  -1.961
  212   1HD   PRO  29          1HD       PRO  29   8.363  -4.254   0.045
  213   2HD   PRO  29          2HD       PRO  29   8.987  -3.684  -1.517
  214    H    LYS  30           H        LYS  30   3.640  -4.025  -2.686
  215    HA   LYS  30           HA       LYS  30   2.418  -4.908  -0.364
  216   1HB   LYS  30          1HB       LYS  30   1.157  -3.615  -1.925
  217   2HB   LYS  30          2HB       LYS  30   1.405  -4.797  -3.204
  218   1HG   LYS  30          1HG       LYS  30   0.137  -6.390  -1.557
  219   2HG   LYS  30          2HG       LYS  30  -0.460  -4.871  -0.886
  220   1HD   LYS  30          1HD       LYS  30  -0.840  -4.403  -3.509
  221   2HD   LYS  30          2HD       LYS  30  -1.030  -6.159  -3.482
  222   1HE   LYS  30          1HE       LYS  30  -2.884  -6.067  -2.109
  223   2HE   LYS  30          2HE       LYS  30  -2.448  -4.490  -1.451
  224   1HZ   LYS  30          1HZ       LYS  30  -3.566  -3.446  -3.050
  225   2HZ   LYS  30          2HZ       LYS  30  -4.295  -4.935  -3.384
  226   3HZ   LYS  30          3HZ       LYS  30  -2.949  -4.435  -4.277
  227    HA   PRO  31           HA       PRO  31   2.771  -9.296  -0.431
  228   1HB   PRO  31          1HB       PRO  31   0.658  -9.920   1.155
  229   2HB   PRO  31          2HB       PRO  31   2.159  -9.229   1.782
  230   1HG   PRO  31          1HG       PRO  31  -0.436  -7.872   1.158
  231   2HG   PRO  31          2HG       PRO  31   0.633  -7.654   2.556
  232   1HD   PRO  31          1HD       PRO  31   0.603  -5.936   0.464
  233   2HD   PRO  31          2HD       PRO  31   2.072  -6.276   1.401
  Start of MODEL   13
    1   1H    GLY   0          1H        GLY   0 -14.080  11.459   3.962
    2   1HA   GLY   0          1HA       GLY   0 -12.174  11.569   1.819
    3   2HA   GLY   0          2HA       GLY   0 -11.861  11.043   3.466
    4    H    HIS   1           H        HIS   1 -13.198   8.876   3.926
    5    HA   HIS   1           HA       HIS   1 -13.173   7.065   1.664
    6   1HB   HIS   1          1HB       HIS   1 -11.594   5.487   2.724
    7   2HB   HIS   1          2HB       HIS   1 -10.826   7.019   2.320
    8    HD1  HIS   1           HD1      HIS   1 -10.914   4.651   4.935
    9    HD2  HIS   1           HD2      HIS   1 -10.919   8.803   4.803
   10    HE1  HIS   1           HE1      HIS   1 -10.150   5.397   7.212
   11    H    MET   2           H        MET   2 -14.670   5.513   1.894
   12    HA   MET   2           HA       MET   2 -15.746   5.027   4.593
   13   1HB   MET   2          1HB       MET   2 -17.164   6.400   2.868
   14   2HB   MET   2          2HB       MET   2 -17.482   4.822   2.162
   15   1HG   MET   2          1HG       MET   2 -19.274   5.230   3.609
   16   2HG   MET   2          2HG       MET   2 -18.233   4.094   4.463
   17   1HE   MET   2          1HE       MET   2 -20.173   7.423   4.803
   18   2HE   MET   2          2HE       MET   2 -18.956   8.507   5.476
   19   3HE   MET   2          3HE       MET   2 -18.765   7.872   3.841
   20    H    VAL   3           H        VAL   3 -14.302   3.204   4.681
   21    HA   VAL   3           HA       VAL   3 -15.526   0.775   3.942
   22    HB   VAL   3           HB       VAL   3 -14.762   1.184   1.709
   23   1HG1  VAL   3          1HG1      VAL   3 -12.513   1.722   1.117
   24   2HG1  VAL   3          2HG1      VAL   3 -13.025   2.861   2.365
   25   3HG1  VAL   3          3HG1      VAL   3 -11.966   1.512   2.780
   26   1HG2  VAL   3          1HG2      VAL   3 -14.549  -1.107   2.478
   27   2HG2  VAL   3          2HG2      VAL   3 -13.235  -0.718   1.367
   28   3HG2  VAL   3          3HG2      VAL   3 -12.934  -0.771   3.104
   29    H    ILE   4           H        ILE   4 -14.391  -1.080   4.734
   30    HA   ILE   4           HA       ILE   4 -12.367  -0.376   6.748
   31    HB   ILE   4           HB       ILE   4 -14.378  -2.610   6.626
   32   1HG1  ILE   4          1HG1      ILE   4 -13.785  -0.725   8.901
   33   2HG1  ILE   4          2HG1      ILE   4 -14.872  -0.276   7.591
   34   1HG2  ILE   4          1HG2      ILE   4 -12.797  -3.930   7.518
   35   2HG2  ILE   4          2HG2      ILE   4 -11.754  -2.570   7.929
   36   3HG2  ILE   4          3HG2      ILE   4 -13.094  -3.005   8.990
   37   1HD1  ILE   4          1HD1      ILE   4 -16.118  -2.441   8.152
   38   2HD1  ILE   4          2HD1      ILE   4 -15.204  -2.408   9.660
   39   3HD1  ILE   4          3HD1      ILE   4 -16.281  -1.073   9.252
   40    H    GLY   5           H        GLY   5 -10.463  -0.566   5.634
   41   1HA   GLY   5          1HA       GLY   5  -9.392  -3.162   5.286
   42   2HA   GLY   5          2HA       GLY   5  -9.818  -2.486   3.720
   43    H    THR   6           H        THR   6  -7.259  -3.030   5.503
   44    HA   THR   6           HA       THR   6  -5.583  -1.211   4.194
   45    HB   THR   6           HB       THR   6  -4.895  -0.069   6.512
   46    HG1  THR   6           1HG      THR   6  -6.556  -0.927   7.752
   47   1HG2  THR   6          1HG2      THR   6  -5.350   1.732   5.282
   48   2HG2  THR   6          2HG2      THR   6  -7.079   1.484   5.518
   49   3HG2  THR   6          3HG2      THR   6  -6.255   0.717   4.161
   50    H    TRP   7           H        TRP   7  -3.392  -1.594   4.607
   51    HA   TRP   7           HA       TRP   7  -2.839  -3.768   6.520
   52   1HB   TRP   7          1HB       TRP   7  -1.035  -4.475   4.872
   53   2HB   TRP   7          2HB       TRP   7  -2.698  -4.771   4.374
   54    HD1  TRP   7           1HD      TRP   7  -3.731  -2.818   2.628
   55    HE1  TRP   7           1HE      TRP   7  -2.524  -1.646   0.680
   56    HE3  TRP   7           3HE      TRP   7   1.109  -3.686   4.028
   57    HZ2  TRP   7           2HZ      TRP   7   0.127  -1.155  -0.154
   58    HZ3  TRP   7           3HZ      TRP   7   2.921  -2.832   2.600
   59    HH2  TRP   7           2HH      TRP   7   2.438  -1.593   0.552
   60    H    ASP   8           H        ASP   8  -1.096  -3.542   7.822
   61    HA   ASP   8           HA       ASP   8   0.307  -0.980   7.704
   62   1HB   ASP   8          1HB       ASP   8   0.536  -3.008   9.917
   63   2HB   ASP   8          2HB       ASP   8   0.826  -1.272   9.987
   64    H    CYS   9           H        CYS   9   2.546  -0.800   7.685
   65    HA   CYS   9           HA       CYS   9   3.929  -2.826   6.241
   66   1HB   CYS   9          1HB       CYS   9   4.298  -0.246   6.263
   67   2HB   CYS   9          2HB       CYS   9   5.318  -0.573   7.660
   68    H    ASP  10           H        ASP  10   6.211  -3.480   7.027
   69    HA   ASP  10           HA       ASP  10   6.115  -4.222   9.872
   70   1HB   ASP  10          1HB       ASP  10   7.191  -6.097   7.780
   71   2HB   ASP  10          2HB       ASP  10   6.708  -6.454   9.436
   72    H    THR  11           H        THR  11   7.722  -2.567   7.572
   73    HA   THR  11           HA       THR  11  10.347  -3.045   8.830
   74    HB   THR  11           HB       THR  11   9.615  -2.476   5.988
   75    HG1  THR  11           1HG      THR  11  11.444  -3.996   5.780
   76   1HG2  THR  11          1HG2      THR  11  11.963  -1.791   5.553
   77   2HG2  THR  11          2HG2      THR  11  12.220  -1.688   7.295
   78   3HG2  THR  11          3HG3      THR  11  11.063  -0.615   6.509
   79    H    CYS  12           H        CYS  12   8.448  -0.536   7.150
   80    HA   CYS  12           HA       CYS  12   9.905   1.521   8.637
   81   1HB   CYS  12          1HB       CYS  12   9.354   3.009   6.972
   82   2HB   CYS  12          2HB       CYS  12   9.356   1.509   6.050
   83    H    LEU  13           H        LEU  13   7.039  -0.229   8.800
   84    HA   LEU  13           HA       LEU  13   5.196  -0.099  10.125
   85   1HB   LEU  13          1HB       LEU  13   6.408   2.218  11.578
   86   2HB   LEU  13          2HB       LEU  13   5.381   0.927  12.201
   87    HG   LEU  13           HG       LEU  13   8.164   0.354  11.244
   88   1HD1  LEU  13          1HD1      LEU  13   7.861   0.677  14.125
   89   2HD1  LEU  13          2HD1      LEU  13   7.685   2.185  13.227
   90   3HD1  LEU  13          3HD1      LEU  13   9.150   1.219  13.050
   91   1HD2  LEU  13          1HD2      LEU  13   7.218  -1.669  11.639
   92   2HD2  LEU  13          2HD2      LEU  13   6.046  -1.023  12.788
   93   3HD2  LEU  13          3HD2      LEU  13   7.716  -1.297  13.290
   94    H    VAL  14           H        VAL  14   3.987   0.657   8.307
   95    HA   VAL  14           HA       VAL  14   2.747   3.214   8.802
   96    HB   VAL  14           HB       VAL  14   4.268   2.729   6.242
   97   1HG1  VAL  14          1HG1      VAL  14   3.290   4.820   5.425
   98   2HG1  VAL  14          2HG1      VAL  14   2.052   3.595   5.713
   99   3HG1  VAL  14          3HG1      VAL  14   2.280   4.910   6.868
  100   1HG2  VAL  14          1HG2      VAL  14   5.298   4.911   6.813
  101   2HG2  VAL  14          2HG2      VAL  14   4.423   4.888   8.344
  102   3HG2  VAL  14          3HG2      VAL  14   5.633   3.653   8.001
  103    H    GLN  15           H        GLN  15   0.654   3.231   8.167
  104    HA   GLN  15           HA       GLN  15  -0.431   0.774   7.096
  105   1HB   GLN  15          1HB       GLN  15  -1.808   3.322   7.960
  106   2HB   GLN  15          2HB       GLN  15  -2.621   1.824   7.528
  107   1HG   GLN  15          1HG       GLN  15  -1.615   0.690   9.405
  108   2HG   GLN  15          2HG       GLN  15  -0.682   2.131   9.808
  109   1HE2  GLN  15          2HE2      GLN  15  -2.175   1.072  11.744
  110   2HE2  GLN  15          1HE2      GLN  15  -3.569   2.042  12.061
  111    H    ASN  16           H        ASN  16  -1.597   0.552   5.189
  112    HA   ASN  16           HA       ASN  16  -1.695   2.819   3.354
  113   1HB   ASN  16          1HB       ASN  16  -0.681   0.246   2.233
  114   2HB   ASN  16          2HB       ASN  16  -0.395   1.896   1.687
  115   1HD2  ASN  16          2HD2      ASN  16   0.242  -0.189   4.485
  116   2HD2  ASN  16          1HD2      ASN  16   1.851   0.380   4.756
  117    H    LYS  17           H        LYS  17  -3.212   2.589   1.665
  118    HA   LYS  17           HA       LYS  17  -5.522   1.108   2.343
  119   1HB   LYS  17          1HB       LYS  17  -6.538   2.101   0.484
  120   2HB   LYS  17          2HB       LYS  17  -5.333   3.282   0.978
  121   1HG   LYS  17          1HG       LYS  17  -3.891   2.694  -0.801
  122   2HG   LYS  17          2HG       LYS  17  -4.835   1.252  -1.181
  123   1HD   LYS  17          1HD       LYS  17  -5.323   2.965  -2.805
  124   2HD   LYS  17          2HD       LYS  17  -6.742   2.719  -1.784
  125   1HE   LYS  17          1HE       LYS  17  -4.722   4.847  -1.160
  126   2HE   LYS  17          2HE       LYS  17  -6.014   5.130  -2.325
  127   1HZ   LYS  17          1HZ       LYS  17  -7.149   4.001  -0.037
  128   2HZ   LYS  17          2HZ       LYS  17  -7.370   5.561  -0.650
  129   3HZ   LYS  17          3HZ       LYS  17  -6.139   5.259   0.471
  130    HA   PRO  18           HA       PRO  18  -4.765  -2.803   0.480
  131   1HB   PRO  18          1HB       PRO  18  -7.319  -3.574  -0.024
  132   2HB   PRO  18          2HB       PRO  18  -6.629  -3.539   1.603
  133   1HG   PRO  18          1HG       PRO  18  -8.396  -1.536   0.251
  134   2HG   PRO  18          2HG       PRO  18  -8.469  -2.152   1.913
  135   1HD   PRO  18          1HD       PRO  18  -7.377   0.248   1.294
  136   2HD   PRO  18          2HD       PRO  18  -6.789  -0.751   2.639
  137    H    GLU  19           H        GLU  19  -6.147  -0.191  -1.200
  138    HA   GLU  19           HA       GLU  19  -6.457  -1.614  -3.711
  139   1HB   GLU  19          1HB       GLU  19  -6.549   1.368  -3.492
  140   2HB   GLU  19          2HB       GLU  19  -7.469   0.299  -4.543
  141   1HG   GLU  19          1HG       GLU  19  -8.524  -0.527  -2.309
  142   2HG   GLU  19          2HG       GLU  19  -7.942   1.017  -1.691
  143    H    ALA  20           H        ALA  20  -3.922  -0.301  -2.013
  144    HA   ALA  20           HA       ALA  20  -2.452   0.711  -4.301
  145   1HB   ALA  20          1HB       ALA  20  -2.212   1.866  -2.184
  146   2HB   ALA  20          2HB       ALA  20  -1.632   0.386  -1.417
  147   3HB   ALA  20          3HB       ALA  20  -0.668   1.165  -2.671
  148    H    ILE  21           H        ILE  21  -0.096  -0.065  -4.477
  149    HA   ILE  21           HA       ILE  21  -0.099  -3.013  -4.425
  150    HB   ILE  21           HB       ILE  21   1.105  -1.077  -6.383
  151   1HG1  ILE  21          1HG1      ILE  21   0.019  -2.907  -7.918
  152   2HG1  ILE  21          2HG1      ILE  21  -0.876  -3.326  -6.461
  153   1HG2  ILE  21          1HG2      ILE  21   1.926  -3.903  -5.814
  154   2HG2  ILE  21          2HG2      ILE  21   2.121  -3.196  -7.416
  155   3HG2  ILE  21          3HG2      ILE  21   2.938  -2.476  -6.029
  156   1HD1  ILE  21          1HD1      ILE  21  -0.988  -0.845  -8.105
  157   2HD1  ILE  21          2HD1      ILE  21  -2.300  -1.855  -7.496
  158   3HD1  ILE  21          3HD1      ILE  21  -1.426  -0.788  -6.398
  159    H    LYS  22           H        LYS  22   1.400  -0.210  -3.238
  160    HA   LYS  22           HA       LYS  22   3.384  -1.806  -1.852
  161   1HB   LYS  22          1HB       LYS  22   5.195  -0.125  -2.492
  162   2HB   LYS  22          2HB       LYS  22   4.728  -1.295  -3.720
  163   1HG   LYS  22          1HG       LYS  22   4.778   0.616  -4.962
  164   2HG   LYS  22          2HG       LYS  22   3.086   0.611  -4.461
  165   1HD   LYS  22          1HD       LYS  22   3.580   2.163  -2.667
  166   2HD   LYS  22          2HD       LYS  22   5.300   2.108  -3.059
  167   1HE   LYS  22          1HE       LYS  22   4.509   4.092  -4.039
  168   2HE   LYS  22          2HE       LYS  22   4.638   2.942  -5.369
  169   1HZ   LYS  22          1HZ       LYS  22   2.555   4.261  -5.355
  170   2HZ   LYS  22          2HZ       LYS  22   2.116   3.502  -3.909
  171   3HZ   LYS  22          3HZ       LYS  22   2.297   2.589  -5.322
  172    H    CYS  23           H        CYS  23   4.717  -0.288  -0.360
  173    HA   CYS  23           HA       CYS  23   2.893   1.050   1.329
  174   1HB   CYS  23          1HB       CYS  23   5.267  -0.036   1.782
  175   2HB   CYS  23          2HB       CYS  23   5.819   1.614   1.512
  176    H    VAL  24           H        VAL  24   2.895   3.290   1.958
  177    HA   VAL  24           HA       VAL  24   3.481   5.065  -0.311
  178    HB   VAL  24           HB       VAL  24   1.121   4.950   0.468
  179   1HG1  VAL  24          1HG1      VAL  24   2.334   6.034   2.998
  180   2HG1  VAL  24          2HG1      VAL  24   0.621   6.203   2.609
  181   3HG1  VAL  24          3HG1      VAL  24   1.330   4.599   2.797
  182   1HG2  VAL  24          1HG2      VAL  24   2.625   7.161  -0.242
  183   2HG2  VAL  24          2HG2      VAL  24   0.865   7.048  -0.245
  184   3HG2  VAL  24          2HG3      VAL  24   1.703   7.706   1.159
  185    H    ALA  25           H        ALA  25   5.246   4.123   2.030
  186    HA   ALA  25           HA       ALA  25   6.237   6.808   2.698
  187   1HB   ALA  25          1HB       ALA  25   6.910   5.695   4.956
  188   2HB   ALA  25          2HB       ALA  25   5.270   6.303   4.728
  189   3HB   ALA  25          3HB       ALA  25   5.600   4.577   4.578
  190    H    CYS  26           H        CYS  26   6.963   3.332   2.626
  191    HA   CYS  26           HA       CYS  26   9.790   4.002   2.150
  192   1HB   CYS  26          1HB       CYS  26  10.400   1.906   3.079
  193   2HB   CYS  26          2HB       CYS  26   9.185   2.572   4.163
  194    H    GLU  27           H        GLU  27   6.982   2.865   0.682
  195    HA   GLU  27           HA       GLU  27   6.557   2.152  -1.442
  196   1HB   GLU  27          1HB       GLU  27   9.511   2.194  -2.018
  197   2HB   GLU  27          2HB       GLU  27   8.175   2.406  -3.142
  198   1HG   GLU  27          1HG       GLU  27   8.778   4.568  -2.958
  199   2HG   GLU  27          2HG       GLU  27   7.707   4.495  -1.560
  200    H    THR  28           H        THR  28   6.923   0.317   0.672
  201    HA   THR  28           HA       THR  28   8.532  -1.888  -0.189
  202    HB   THR  28           HB       THR  28   6.860  -1.264   2.115
  203    HG1  THR  28           1HG      THR  28   8.748  -3.316   2.141
  204   1HG2  THR  28          1HG2      THR  28   6.780  -4.051   0.966
  205   2HG2  THR  28          2HG2      THR  28   5.416  -3.016   1.385
  206   3HG2  THR  28          3HG2      THR  28   6.436  -3.686   2.656
  207    HA   PRO  29           HA       PRO  29   5.756  -3.832  -2.996
  208   1HB   PRO  29          1HB       PRO  29   6.613  -6.398  -2.769
  209   2HB   PRO  29          2HB       PRO  29   7.534  -5.147  -3.615
  210   1HG   PRO  29          1HG       PRO  29   7.887  -6.207  -0.837
  211   2HG   PRO  29          2HG       PRO  29   9.119  -5.835  -2.057
  212   1HD   PRO  29          1HD       PRO  29   8.544  -4.160  -0.009
  213   2HD   PRO  29          2HD       PRO  29   9.067  -3.575  -1.602
  214    H    LYS  30           H        LYS  30   3.675  -3.874  -2.342
  215    HA   LYS  30           HA       LYS  30   2.577  -4.770  -0.012
  216   1HB   LYS  30          1HB       LYS  30   1.219  -3.591  -1.591
  217   2HB   LYS  30          2HB       LYS  30   1.435  -4.845  -2.805
  218   1HG   LYS  30          1HG       LYS  30   0.280  -6.372  -1.046
  219   2HG   LYS  30          2HG       LYS  30  -0.288  -4.842  -0.370
  220   1HD   LYS  30          1HD       LYS  30  -0.736  -4.607  -3.103
  221   2HD   LYS  30          2HD       LYS  30  -1.184  -6.272  -2.723
  222   1HE   LYS  30          1HE       LYS  30  -2.749  -5.559  -1.080
  223   2HE   LYS  30          2HE       LYS  30  -2.159  -3.899  -1.148
  224   1HZ   LYS  30          1HZ       LYS  30  -3.594  -3.467  -2.757
  225   2HZ   LYS  30          2HZ       LYS  30  -4.218  -5.034  -2.630
  226   3HZ   LYS  30          3HZ       LYS  30  -2.965  -4.709  -3.720
  227    HA   PRO  31           HA       PRO  31   3.086  -9.142   0.107
  228   1HB   PRO  31          1HB       PRO  31   1.078  -9.756   1.827
  229   2HB   PRO  31          2HB       PRO  31   2.584  -8.987   2.344
  230   1HG   PRO  31          1HG       PRO  31  -0.085  -7.747   1.791
  231   2HG   PRO  31          2HG       PRO  31   1.044  -7.428   3.121
  232   1HD   PRO  31          1HD       PRO  31   0.850  -5.814   0.955
  233   2HD   PRO  31          2HD       PRO  31   2.375  -6.060   1.830
  Start of MODEL   14
    1   1H    GLY   0          1H        GLY   0 -23.541  -0.494  -2.342
    2   1HA   GLY   0          1HA       GLY   0 -23.799  -3.315  -2.570
    3   2HA   GLY   0          2HA       GLY   0 -22.591  -2.718  -3.698
    4    H    HIS   1           H        HIS   1 -20.685  -3.293  -2.860
    5    HA   HIS   1           HA       HIS   1 -20.027  -2.294  -0.186
    6   1HB   HIS   1          1HB       HIS   1 -19.788  -5.127  -1.148
    7   2HB   HIS   1          2HB       HIS   1 -18.664  -4.505   0.057
    8    HD1  HIS   1           HD1      HIS   1 -19.422  -4.620   2.420
    9    HD2  HIS   1           HD2      HIS   1 -22.587  -4.927  -0.253
   10    HE1  HIS   1           HE1      HIS   1 -21.446  -5.117   3.828
   11    H    MET   2           H        MET   2 -18.129  -1.267  -0.123
   12    HA   MET   2           HA       MET   2 -16.347  -1.545  -2.449
   13   1HB   MET   2          1HB       MET   2 -16.582   0.769  -0.517
   14   2HB   MET   2          2HB       MET   2 -15.552   0.710  -1.942
   15   1HG   MET   2          1HG       MET   2 -18.554   0.533  -2.013
   16   2HG   MET   2          2HG       MET   2 -17.635   2.020  -2.237
   17   1HE   MET   2          1HE       MET   2 -19.353   1.983  -4.158
   18   2HE   MET   2          2HE       MET   2 -18.893   1.454  -5.777
   19   3HE   MET   2          3HE       MET   2 -19.736   0.346  -4.694
   20    H    VAL   3           H        VAL   3 -14.404  -2.413  -2.152
   21    HA   VAL   3           HA       VAL   3 -13.476  -3.734  -0.012
   22    HB   VAL   3           HB       VAL   3 -11.095  -2.957  -0.800
   23   1HG1  VAL   3          1HG1      VAL   3 -11.535  -4.402  -2.951
   24   2HG1  VAL   3          2HG1      VAL   3 -11.621  -5.123  -1.343
   25   3HG1  VAL   3          3HG1      VAL   3 -13.102  -4.668  -2.187
   26   1HG2  VAL   3          1HG2      VAL   3 -12.301  -2.350  -3.397
   27   2HG2  VAL   3          2HG2      VAL   3 -12.574  -1.111  -2.171
   28   3HG2  VAL   3          3HG2      VAL   3 -10.929  -1.601  -2.579
   29    H    ILE   4           H        ILE   4 -13.722  -2.955   2.021
   30    HA   ILE   4           HA       ILE   4 -12.405  -0.402   2.670
   31    HB   ILE   4           HB       ILE   4 -14.737  -0.299   3.216
   32   1HG1  ILE   4          1HG1      ILE   4 -13.297  -0.853   5.812
   33   2HG1  ILE   4          2HG1      ILE   4 -13.011   0.594   4.850
   34   1HG2  ILE   4          1HG2      ILE   4 -15.841  -2.185   3.619
   35   2HG2  ILE   4          2HG2      ILE   4 -14.343  -3.056   3.943
   36   3HG2  ILE   4          3HG2      ILE   4 -15.149  -2.175   5.240
   37   1HD1  ILE   4          1HD1      ILE   4 -14.702   1.567   5.881
   38   2HD1  ILE   4          2HD1      ILE   4 -15.797   0.371   5.187
   39   3HD1  ILE   4          3HD1      ILE   4 -15.055   0.080   6.760
   40    H    GLY   5           H        GLY   5 -10.348  -0.994   3.172
   41   1HA   GLY   5          1HA       GLY   5  -9.951  -2.348   5.682
   42   2HA   GLY   5          2HA       GLY   5  -9.379  -3.275   4.303
   43    H    THR   6           H        THR   6  -7.290  -3.057   5.412
   44    HA   THR   6           HA       THR   6  -5.626  -1.199   4.166
   45    HB   THR   6           HB       THR   6  -4.995  -0.073   6.518
   46    HG1  THR   6           1HG      THR   6  -6.872   0.389   7.674
   47   1HG2  THR   6          1HG2      THR   6  -6.331   0.720   4.136
   48   2HG2  THR   6          2HG2      THR   6  -5.394   1.714   5.251
   49   3HG2  THR   6          3HG2      THR   6  -7.127   1.508   5.497
   50    H    TRP   7           H        TRP   7  -3.451  -1.602   4.557
   51    HA   TRP   7           HA       TRP   7  -2.884  -3.743   6.502
   52   1HB   TRP   7          1HB       TRP   7  -1.099  -4.489   4.867
   53   2HB   TRP   7          2HB       TRP   7  -2.762  -4.758   4.352
   54    HD1  TRP   7           1HD      TRP   7  -3.737  -2.889   2.529
   55    HE1  TRP   7           1HE      TRP   7  -2.489  -1.713   0.609
   56    HE3  TRP   7           3HE      TRP   7   1.067  -3.617   4.119
   57    HZ2  TRP   7           2HZ      TRP   7   0.179  -1.166  -0.132
   58    HZ3  TRP   7           3HZ      TRP   7   2.909  -2.737   2.746
   59    HH2  TRP   7           2HH      TRP   7   2.473  -1.538   0.664
   60    H    ASP   8           H        ASP   8  -1.055  -3.560   7.725
   61    HA   ASP   8           HA       ASP   8   0.312  -0.971   7.592
   62   1HB   ASP   8          1HB       ASP   8   0.549  -2.987   9.820
   63   2HB   ASP   8          2HB       ASP   8   0.875  -1.257   9.873
   64    H    CYS   9           H        CYS   9   2.583  -0.813   7.683
   65    HA   CYS   9           HA       CYS   9   3.950  -2.816   6.176
   66   1HB   CYS   9          1HB       CYS   9   4.335  -0.235   6.263
   67   2HB   CYS   9          2HB       CYS   9   5.362  -0.612   7.643
   68    H    ASP  10           H        ASP  10   6.240  -3.474   6.972
   69    HA   ASP  10           HA       ASP  10   6.115  -4.283   9.798
   70   1HB   ASP  10          1HB       ASP  10   5.519  -6.092   7.999
   71   2HB   ASP  10          2HB       ASP  10   7.261  -6.139   7.742
   72    H    THR  11           H        THR  11   7.750  -2.599   7.530
   73    HA   THR  11           HA       THR  11  10.360  -3.104   8.807
   74    HB   THR  11           HB       THR  11   9.687  -2.379   5.971
   75    HG1  THR  11           1HG      THR  11  11.343  -4.321   7.235
   76   1HG2  THR  11          1HG2      THR  11  11.328  -0.822   6.101
   77   2HG2  THR  11          2HG2      THR  11  12.378  -2.232   5.967
   78   3HG2  THR  11          3HG3      THR  11  12.035  -1.534   7.550
   79    H    CYS  12           H        CYS  12   8.539  -0.551   7.102
   80    HA   CYS  12           HA       CYS  12   9.985   1.478   8.621
   81   1HB   CYS  12          1HB       CYS  12   9.404   2.986   6.985
   82   2HB   CYS  12          2HB       CYS  12   9.389   1.497   6.046
   83    H    LEU  13           H        LEU  13   7.020  -0.196   8.667
   84    HA   LEU  13           HA       LEU  13   5.236  -0.106  10.079
   85   1HB   LEU  13          1HB       LEU  13   6.462   2.203  11.530
   86   2HB   LEU  13          2HB       LEU  13   5.441   0.911  12.157
   87    HG   LEU  13           HG       LEU  13   8.317   0.594  11.296
   88   1HD1  LEU  13          1HD1      LEU  13   8.339   0.088  13.918
   89   2HD1  LEU  13          2HD1      LEU  13   7.040   1.280  13.873
   90   3HD1  LEU  13          3HD1      LEU  13   8.637   1.692  13.248
   91   1HD2  LEU  13          1HD2      LEU  13   7.937  -1.589  11.332
   92   2HD2  LEU  13          2HD2      LEU  13   6.234  -1.299  11.690
   93   3HD2  LEU  13          3HD2      LEU  13   7.396  -1.469  13.007
   94    H    VAL  14           H        VAL  14   4.091   0.687   8.195
   95    HA   VAL  14           HA       VAL  14   2.836   3.243   8.737
   96    HB   VAL  14           HB       VAL  14   4.298   2.732   6.146
   97   1HG1  VAL  14          1HG1      VAL  14   2.788   3.975   5.097
   98   2HG1  VAL  14          2HG1      VAL  14   1.874   4.170   6.594
   99   3HG1  VAL  14          3HG1      VAL  14   3.154   5.313   6.185
  100   1HG2  VAL  14          1HG2      VAL  14   5.637   3.625   8.025
  101   2HG2  VAL  14          2HG2      VAL  14   5.512   4.751   6.674
  102   3HG2  VAL  14          3HG2      VAL  14   4.536   4.999   8.122
  103    H    GLN  15           H        GLN  15   0.739   3.294   8.102
  104    HA   GLN  15           HA       GLN  15  -0.396   0.834   7.100
  105   1HB   GLN  15          1HB       GLN  15  -1.542   3.407   8.147
  106   2HB   GLN  15          2HB       GLN  15  -2.567   2.222   7.351
  107   1HG   GLN  15          1HG       GLN  15  -2.303   0.663   9.030
  108   2HG   GLN  15          2HG       GLN  15  -0.797   1.382   9.599
  109   1HE2  GLN  15          2HE2      GLN  15  -1.498   1.492  11.717
  110   2HE2  GLN  15          1HE2      GLN  15  -2.696   2.621  12.243
  111    H    ASN  16           H        ASN  16  -1.687   0.633   5.237
  112    HA   ASN  16           HA       ASN  16  -1.700   2.825   3.322
  113   1HB   ASN  16          1HB       ASN  16  -0.742   0.191   2.286
  114   2HB   ASN  16          2HB       ASN  16  -0.448   1.813   1.665
  115   1HD2  ASN  16          2HD2      ASN  16   0.234  -0.202   4.500
  116   2HD2  ASN  16          1HD2      ASN  16   1.843   0.380   4.739
  117    H    LYS  17           H        LYS  17  -3.187   2.522   1.586
  118    HA   LYS  17           HA       LYS  17  -5.533   1.101   2.345
  119   1HB   LYS  17          1HB       LYS  17  -6.563   2.087   0.483
  120   2HB   LYS  17          2HB       LYS  17  -5.358   3.269   0.978
  121   1HG   LYS  17          1HG       LYS  17  -3.884   2.595  -0.790
  122   2HG   LYS  17          2HG       LYS  17  -4.955   1.261  -1.228
  123   1HD   LYS  17          1HD       LYS  17  -6.710   2.884  -1.805
  124   2HD   LYS  17          2HD       LYS  17  -5.607   4.204  -1.405
  125   1HE   LYS  17          1HE       LYS  17  -4.663   2.174  -3.350
  126   2HE   LYS  17          2HE       LYS  17  -5.916   3.289  -3.890
  127   1HZ   LYS  17          1HZ       LYS  17  -3.820   4.235  -4.415
  128   2HZ   LYS  17          2HZ       LYS  17  -3.226   3.982  -2.851
  129   3HZ   LYS  17          3HZ       LYS  17  -4.446   5.122  -3.117
  130    HA   PRO  18           HA       PRO  18  -4.873  -2.817   0.470
  131   1HB   PRO  18          1HB       PRO  18  -7.437  -3.523  -0.080
  132   2HB   PRO  18          2HB       PRO  18  -6.776  -3.507   1.559
  133   1HG   PRO  18          1HG       PRO  18  -8.466  -1.457   0.177
  134   2HG   PRO  18          2HG       PRO  18  -8.585  -2.071   1.837
  135   1HD   PRO  18          1HD       PRO  18  -7.420   0.299   1.241
  136   2HD   PRO  18          2HD       PRO  18  -6.882  -0.715   2.595
  137    H    GLU  19           H        GLU  19  -6.201  -0.179  -1.232
  138    HA   GLU  19           HA       GLU  19  -6.471  -1.596  -3.750
  139   1HB   GLU  19          1HB       GLU  19  -8.084   0.052  -3.630
  140   2HB   GLU  19          2HB       GLU  19  -7.023   1.180  -2.798
  141   1HG   GLU  19          1HG       GLU  19  -5.793   1.554  -4.877
  142   2HG   GLU  19          2HG       GLU  19  -6.868   0.431  -5.710
  143    H    ALA  20           H        ALA  20  -3.957  -0.317  -2.002
  144    HA   ALA  20           HA       ALA  20  -2.437   0.693  -4.262
  145   1HB   ALA  20          1HB       ALA  20  -2.233   1.839  -2.133
  146   2HB   ALA  20          2HB       ALA  20  -1.668   0.355  -1.366
  147   3HB   ALA  20          3HB       ALA  20  -0.683   1.139  -2.602
  148    H    ILE  21           H        ILE  21  -0.096  -0.103  -4.420
  149    HA   ILE  21           HA       ILE  21  -0.122  -3.049  -4.373
  150    HB   ILE  21           HB       ILE  21   1.426  -1.214  -6.207
  151   1HG1  ILE  21          1HG1      ILE  21  -0.089  -2.518  -7.905
  152   2HG1  ILE  21          2HG1      ILE  21  -1.117  -2.775  -6.500
  153   1HG2  ILE  21          1HG2      ILE  21   2.017  -3.301  -7.394
  154   2HG2  ILE  21          2HG2      ILE  21   2.681  -3.222  -5.764
  155   3HG2  ILE  21          3HG2      ILE  21   1.265  -4.222  -6.092
  156   1HD1  ILE  21          1HD1      ILE  21  -1.308  -0.374  -6.187
  157   2HD1  ILE  21          2HD1      ILE  21  -0.247  -0.101  -7.571
  158   3HD1  ILE  21          3HD1      ILE  21  -1.828  -0.848  -7.805
  159    H    LYS  22           H        LYS  22   1.501  -0.212  -3.304
  160    HA   LYS  22           HA       LYS  22   3.392  -1.858  -1.815
  161   1HB   LYS  22          1HB       LYS  22   5.258  -0.277  -2.419
  162   2HB   LYS  22          2HB       LYS  22   4.722  -1.331  -3.721
  163   1HG   LYS  22          1HG       LYS  22   3.345   0.536  -4.596
  164   2HG   LYS  22          2HG       LYS  22   4.045   1.579  -3.356
  165   1HD   LYS  22          1HD       LYS  22   5.330   1.976  -5.285
  166   2HD   LYS  22          2HD       LYS  22   6.314   0.896  -4.294
  167   1HE   LYS  22          1HE       LYS  22   6.368   0.174  -6.603
  168   2HE   LYS  22          2HE       LYS  22   5.507  -1.014  -5.624
  169   1HZ   LYS  22          1HZ       LYS  22   3.658  -0.713  -6.795
  170   2HZ   LYS  22          2HZ       LYS  22   4.597   0.128  -7.922
  171   3HZ   LYS  22          3HZ       LYS  22   3.764   0.973  -6.716
  172    H    CYS  23           H        CYS  23   4.769  -0.274  -0.364
  173    HA   CYS  23           HA       CYS  23   2.927   1.039   1.339
  174   1HB   CYS  23          1HB       CYS  23   5.288  -0.034   1.818
  175   2HB   CYS  23          2HB       CYS  23   5.861   1.598   1.492
  176    H    VAL  24           H        VAL  24   2.937   3.285   1.969
  177    HA   VAL  24           HA       VAL  24   3.503   5.053  -0.312
  178    HB   VAL  24           HB       VAL  24   1.129   4.845   0.590
  179   1HG1  VAL  24          1HG1      VAL  24   2.136   5.054   3.015
  180   2HG1  VAL  24          2HG1      VAL  24   1.914   6.778   2.713
  181   3HG1  VAL  24          3HG1      VAL  24   0.533   5.682   2.634
  182   1HG2  VAL  24          1HG2      VAL  24   2.222   6.779  -0.762
  183   2HG2  VAL  24          2HG2      VAL  24   0.637   7.021  -0.027
  184   3HG2  VAL  24          2HG3      VAL  24   2.078   7.676   0.750
  185    H    ALA  25           H        ALA  25   5.253   4.135   2.056
  186    HA   ALA  25           HA       ALA  25   6.215   6.833   2.721
  187   1HB   ALA  25          1HB       ALA  25   5.097   6.147   4.696
  188   2HB   ALA  25          2HB       ALA  25   5.822   4.540   4.630
  189   3HB   ALA  25          3HB       ALA  25   6.824   5.946   4.995
  190    H    CYS  26           H        CYS  26   6.989   3.366   2.660
  191    HA   CYS  26           HA       CYS  26   9.808   4.072   2.194
  192   1HB   CYS  26          1HB       CYS  26  10.440   1.981   3.119
  193   2HB   CYS  26          2HB       CYS  26   9.207   2.626   4.198
  194    H    GLU  27           H        GLU  27   7.020   2.889   0.714
  195    HA   GLU  27           HA       GLU  27   6.605   2.149  -1.401
  196   1HB   GLU  27          1HB       GLU  27   9.547   2.333  -2.007
  197   2HB   GLU  27          2HB       GLU  27   8.191   2.494  -3.114
  198   1HG   GLU  27          1HG       GLU  27   9.295   4.467  -1.174
  199   2HG   GLU  27          2HG       GLU  27   8.890   4.670  -2.878
  200    H    THR  28           H        THR  28   6.813   0.264   0.535
  201    HA   THR  28           HA       THR  28   8.575  -1.859  -0.374
  202    HB   THR  28           HB       THR  28   7.074  -1.294   2.059
  203    HG1  THR  28           1HG      THR  28   9.161  -3.172   1.599
  204   1HG2  THR  28          1HG2      THR  28   7.072  -4.123   1.002
  205   2HG2  THR  28          2HG2      THR  28   5.654  -3.117   1.298
  206   3HG2  THR  28          3HG2      THR  28   6.655  -3.651   2.648
  207    HA   PRO  29           HA       PRO  29   5.639  -3.865  -2.966
  208   1HB   PRO  29          1HB       PRO  29   6.581  -6.407  -2.825
  209   2HB   PRO  29          2HB       PRO  29   7.397  -5.129  -3.732
  210   1HG   PRO  29          1HG       PRO  29   7.998  -6.191  -0.999
  211   2HG   PRO  29          2HG       PRO  29   9.118  -5.780  -2.309
  212   1HD   PRO  29          1HD       PRO  29   8.662  -4.131  -0.211
  213   2HD   PRO  29          2HD       PRO  29   9.041  -3.525  -1.836
  214    H    LYS  30           H        LYS  30   3.600  -4.109  -2.291
  215    HA   LYS  30           HA       LYS  30   2.782  -5.106   0.186
  216   1HB   LYS  30          1HB       LYS  30   1.286  -3.736  -1.083
  217   2HB   LYS  30          2HB       LYS  30   1.314  -4.856  -2.439
  218   1HG   LYS  30          1HG       LYS  30   0.369  -6.516  -0.600
  219   2HG   LYS  30          2HG       LYS  30  -0.183  -4.998   0.113
  220   1HD   LYS  30          1HD       LYS  30  -0.661  -5.261  -2.776
  221   2HD   LYS  30          2HD       LYS  30  -1.549  -6.405  -1.766
  222   1HE   LYS  30          1HE       LYS  30  -2.342  -4.484  -0.399
  223   2HE   LYS  30          2HE       LYS  30  -1.559  -3.397  -1.545
  224   1HZ   LYS  30          1HZ       LYS  30  -3.563  -3.438  -2.524
  225   2HZ   LYS  30          2HZ       LYS  30  -4.021  -4.900  -1.809
  226   3HZ   LYS  30          3HZ       LYS  30  -3.033  -4.904  -3.182
  227    HA   PRO  31           HA       PRO  31   3.159  -9.474  -0.219
  228   1HB   PRO  31          1HB       PRO  31   1.346 -10.233   1.652
  229   2HB   PRO  31          2HB       PRO  31   2.925  -9.554   2.065
  230   1HG   PRO  31          1HG       PRO  31   0.252  -8.210   1.968
  231   2HG   PRO  31          2HG       PRO  31   1.537  -8.059   3.181
  232   1HD   PRO  31          1HD       PRO  31   1.145  -6.216   1.236
  233   2HD   PRO  31          2HD       PRO  31   2.752  -6.585   1.893
  Start of MODEL   15
    1   1H    GLY   0          1H        GLY   0 -18.636  10.906   6.369
    2   1HA   GLY   0          1HA       GLY   0 -19.528   8.894   7.924
    3   2HA   GLY   0          2HA       GLY   0 -20.316   9.309   6.409
    4    H    HIS   1           H        HIS   1 -17.992   8.491   4.805
    5    HA   HIS   1           HA       HIS   1 -18.201   5.572   5.153
    6   1HB   HIS   1          1HB       HIS   1 -18.562   5.244   2.894
    7   2HB   HIS   1          2HB       HIS   1 -19.425   6.758   3.151
    8    HD1  HIS   1           HD1      HIS   1 -17.082   5.267   0.926
    9    HD2  HIS   1           HD2      HIS   1 -17.590   9.074   2.511
   10    HE1  HIS   1           HE1      HIS   1 -15.803   6.806  -0.597
   11    H    MET   2           H        MET   2 -16.379   4.333   4.715
   12    HA   MET   2           HA       MET   2 -13.943   5.603   3.810
   13   1HB   MET   2          1HB       MET   2 -13.699   6.209   6.077
   14   2HB   MET   2          2HB       MET   2 -14.314   4.662   6.644
   15   1HG   MET   2          1HG       MET   2 -12.296   3.560   5.813
   16   2HG   MET   2          2HG       MET   2 -11.680   5.116   5.263
   17   1HE   MET   2          1HE       MET   2 -11.961   2.614   8.116
   18   2HE   MET   2          2HE       MET   2 -11.932   3.595   9.581
   19   3HE   MET   2          3HE       MET   2 -13.352   3.614   8.535
   20    H    VAL   3           H        VAL   3 -12.157   4.032   3.585
   21    HA   VAL   3           HA       VAL   3 -13.227   1.435   2.783
   22    HB   VAL   3           HB       VAL   3 -11.943   2.504   1.078
   23   1HG1  VAL   3          1HG1      VAL   3  -9.328   2.680   1.906
   24   2HG1  VAL   3          2HG1      VAL   3 -10.454   4.030   1.750
   25   3HG1  VAL   3          3HG1      VAL   3 -10.228   3.246   3.314
   26   1HG2  VAL   3          1HG2      VAL   3 -11.622   0.021   1.543
   27   2HG2  VAL   3          2HG2      VAL   3 -10.405   0.808   0.539
   28   3HG2  VAL   3          3HG2      VAL   3 -10.062   0.466   2.235
   29    H    ILE   4           H        ILE   4 -12.519  -0.505   3.580
   30    HA   ILE   4           HA       ILE   4 -10.719  -0.374   5.911
   31    HB   ILE   4           HB       ILE   4 -13.227  -1.004   6.232
   32   1HG1  ILE   4          1HG1      ILE   4 -10.895  -2.554   7.357
   33   2HG1  ILE   4          2HG1      ILE   4 -11.688  -1.145   8.053
   34   1HG2  ILE   4          1HG2      ILE   4 -13.856  -3.230   5.831
   35   2HG2  ILE   4          2HG2      ILE   4 -13.064  -2.704   4.347
   36   3HG2  ILE   4          3HG2      ILE   4 -12.197  -3.725   5.493
   37   1HD1  ILE   4          1HD1      ILE   4 -12.241  -3.268   9.186
   38   2HD1  ILE   4          2HD1      ILE   4 -13.652  -2.429   8.541
   39   3HD1  ILE   4          3HD1      ILE   4 -12.996  -3.830   7.695
   40    H    GLY   5           H        GLY   5  -9.328  -2.175   6.277
   41   1HA   GLY   5          1HA       GLY   5  -8.594  -4.401   5.487
   42   2HA   GLY   5          2HA       GLY   5  -8.853  -3.802   3.855
   43    H    THR   6           H        THR   6  -7.672  -1.187   5.255
   44    HA   THR   6           HA       THR   6  -5.279  -1.042   3.994
   45    HB   THR   6           HB       THR   6  -4.521   0.542   5.777
   46    HG1  THR   6           1HG      THR   6  -5.654  -0.622   7.503
   47   1HG2  THR   6          1HG2      THR   6  -5.671   1.930   4.458
   48   2HG2  THR   6          2HG2      THR   6  -7.025   1.742   5.572
   49   3HG2  THR   6          3HG2      THR   6  -6.906   0.712   4.146
   50    H    TRP   7           H        TRP   7  -3.243  -1.789   4.232
   51    HA   TRP   7           HA       TRP   7  -2.786  -3.722   6.395
   52   1HB   TRP   7          1HB       TRP   7  -0.797  -4.364   4.866
   53   2HB   TRP   7          2HB       TRP   7  -2.422  -4.820   4.364
   54    HD1  TRP   7           1HD      TRP   7  -3.581  -3.003   2.528
   55    HE1  TRP   7           1HE      TRP   7  -2.439  -1.861   0.524
   56    HE3  TRP   7           3HE      TRP   7   1.296  -3.520   3.970
   57    HZ2  TRP   7           2HZ      TRP   7   0.183  -1.260  -0.333
   58    HZ3  TRP   7           3HZ      TRP   7   3.061  -2.634   2.502
   59    HH2  TRP   7           2HH      TRP   7   2.513  -1.528   0.395
   60    H    ASP   8           H        ASP   8  -1.068  -3.560   7.771
   61    HA   ASP   8           HA       ASP   8   0.317  -0.979   7.780
   62   1HB   ASP   8          1HB       ASP   8   0.376  -3.026   9.990
   63   2HB   ASP   8          2HB       ASP   8   0.694  -1.297  10.094
   64    H    CYS   9           H        CYS   9   2.459  -0.780   7.485
   65    HA   CYS   9           HA       CYS   9   3.946  -2.832   6.291
   66   1HB   CYS   9          1HB       CYS   9   4.283  -0.228   6.314
   67   2HB   CYS   9          2HB       CYS   9   5.307  -0.570   7.705
   68    H    ASP  10           H        ASP  10   6.183  -3.481   7.164
   69    HA   ASP  10           HA       ASP  10   6.018  -4.121  10.030
   70   1HB   ASP  10          1HB       ASP  10   7.042  -6.084   7.982
   71   2HB   ASP  10          2HB       ASP  10   6.641  -6.383   9.672
   72    H    THR  11           H        THR  11   7.628  -2.390   7.922
   73    HA   THR  11           HA       THR  11  10.238  -2.919   9.183
   74    HB   THR  11           HB       THR  11   9.670  -2.290   6.291
   75    HG1  THR  11           1HG      THR  11   9.944  -4.404   6.349
   76   1HG2  THR  11          1HG2      THR  11  11.426  -0.764   7.080
   77   2HG2  THR  11          2HG2      THR  11  12.071  -1.973   5.970
   78   3HG2  THR  11          3HG3      THR  11  12.335  -2.140   7.706
   79    H    CYS  12           H        CYS  12   8.580  -0.462   7.191
   80    HA   CYS  12           HA       CYS  12   9.987   1.654   8.596
   81   1HB   CYS  12          1HB       CYS  12   9.382   3.046   6.867
   82   2HB   CYS  12          2HB       CYS  12   9.342   1.494   6.036
   83    H    LEU  13           H        LEU  13   7.013   0.004   8.804
   84    HA   LEU  13           HA       LEU  13   5.262   0.196  10.248
   85   1HB   LEU  13          1HB       LEU  13   6.524   2.608  11.492
   86   2HB   LEU  13          2HB       LEU  13   5.501   1.381  12.237
   87    HG   LEU  13           HG       LEU  13   8.424   1.232  11.564
   88   1HD1  LEU  13          1HD1      LEU  13   7.485   0.181  14.099
   89   2HD1  LEU  13          2HD1      LEU  13   7.040   1.871  13.867
   90   3HD1  LEU  13          3HD1      LEU  13   8.732   1.383  13.762
   91   1HD2  LEU  13          1HD2      LEU  13   6.451  -0.987  11.877
   92   2HD2  LEU  13          2HD2      LEU  13   8.097  -1.189  12.476
   93   3HD2  LEU  13          3HD2      LEU  13   7.816  -0.843  10.769
   94    H    VAL  14           H        VAL  14   4.183   0.877   8.233
   95    HA   VAL  14           HA       VAL  14   2.862   3.430   8.644
   96    HB   VAL  14           HB       VAL  14   4.344   2.814   6.085
   97   1HG1  VAL  14          1HG1      VAL  14   2.360   4.992   6.718
   98   2HG1  VAL  14          2HG1      VAL  14   3.423   4.997   5.311
   99   3HG1  VAL  14          3HG1      VAL  14   2.211   3.730   5.496
  100   1HG2  VAL  14          1HG2      VAL  14   4.601   5.192   7.916
  101   2HG2  VAL  14          2HG2      VAL  14   5.650   3.777   7.994
  102   3HG2  VAL  14          3HG2      VAL  14   5.624   4.776   6.541
  103    H    GLN  15           H        GLN  15   0.758   3.301   8.152
  104    HA   GLN  15           HA       GLN  15  -0.272   0.814   7.111
  105   1HB   GLN  15          1HB       GLN  15  -1.453   3.253   8.368
  106   2HB   GLN  15          2HB       GLN  15  -2.499   2.198   7.427
  107   1HG   GLN  15          1HG       GLN  15  -1.422   0.330   8.922
  108   2HG   GLN  15          2HG       GLN  15  -1.109   1.687  10.003
  109   1HE2  GLN  15          2HE2      GLN  15  -2.630   2.091  11.427
  110   2HE2  GLN  15          1HE2      GLN  15  -4.304   1.688  11.278
  111    H    ASN  16           H        ASN  16  -1.602   0.587   5.279
  112    HA   ASN  16           HA       ASN  16  -1.789   2.826   3.427
  113   1HB   ASN  16          1HB       ASN  16  -0.751   0.275   2.277
  114   2HB   ASN  16          2HB       ASN  16  -0.531   1.929   1.716
  115   1HD2  ASN  16          2HD2      ASN  16   0.283  -0.148   4.470
  116   2HD2  ASN  16          1HD2      ASN  16   1.880   0.473   4.687
  117    H    LYS  17           H        LYS  17  -3.205   2.361   1.588
  118    HA   LYS  17           HA       LYS  17  -5.490   0.835   2.426
  119   1HB   LYS  17          1HB       LYS  17  -6.627   1.803   0.605
  120   2HB   LYS  17          2HB       LYS  17  -5.519   3.052   1.160
  121   1HG   LYS  17          1HG       LYS  17  -4.040   2.668  -0.655
  122   2HG   LYS  17          2HG       LYS  17  -4.898   1.198  -1.125
  123   1HD   LYS  17          1HD       LYS  17  -5.711   2.733  -2.650
  124   2HD   LYS  17          2HD       LYS  17  -6.938   2.799  -1.383
  125   1HE   LYS  17          1HE       LYS  17  -4.598   4.660  -1.313
  126   2HE   LYS  17          2HE       LYS  17  -5.970   5.006  -2.363
  127   1HZ   LYS  17          1HZ       LYS  17  -6.951   5.894  -0.603
  128   2HZ   LYS  17          2HZ       LYS  17  -5.733   5.358   0.441
  129   3HZ   LYS  17          3HZ       LYS  17  -7.046   4.353   0.088
  130    HA   PRO  18           HA       PRO  18  -4.663  -2.963   0.376
  131   1HB   PRO  18          1HB       PRO  18  -7.194  -3.790  -0.150
  132   2HB   PRO  18          2HB       PRO  18  -6.499  -3.800   1.474
  133   1HG   PRO  18          1HG       PRO  18  -8.331  -1.799   0.212
  134   2HG   PRO  18          2HG       PRO  18  -8.377  -2.482   1.847
  135   1HD   PRO  18          1HD       PRO  18  -7.361  -0.028   1.324
  136   2HD   PRO  18          2HD       PRO  18  -6.737  -1.063   2.625
  137    H    GLU  19           H        GLU  19  -6.131  -0.327  -1.191
  138    HA   GLU  19           HA       GLU  19  -6.410  -1.656  -3.756
  139   1HB   GLU  19          1HB       GLU  19  -8.078  -0.077  -3.547
  140   2HB   GLU  19          2HB       GLU  19  -7.048   1.052  -2.679
  141   1HG   GLU  19          1HG       GLU  19  -7.605   1.900  -4.877
  142   2HG   GLU  19          2HG       GLU  19  -5.874   1.587  -4.747
  143    H    ALA  20           H        ALA  20  -3.908  -0.338  -2.014
  144    HA   ALA  20           HA       ALA  20  -2.479   0.820  -4.258
  145   1HB   ALA  20          1HB       ALA  20  -0.637   1.051  -2.524
  146   2HB   ALA  20          2HB       ALA  20  -2.122   1.956  -2.228
  147   3HB   ALA  20          3HB       ALA  20  -1.813   0.458  -1.350
  148    H    ILE  21           H        ILE  21  -0.135   0.113  -4.549
  149    HA   ILE  21           HA       ILE  21  -0.078  -2.824  -4.704
  150    HB   ILE  21           HB       ILE  21   1.539  -0.850  -6.318
  151   1HG1  ILE  21          1HG1      ILE  21   0.039  -1.554  -8.193
  152   2HG1  ILE  21          2HG1      ILE  21  -0.957  -2.408  -7.020
  153   1HG2  ILE  21          1HG2      ILE  21   1.672  -3.716  -5.952
  154   2HG2  ILE  21          2HG2      ILE  21   1.414  -3.285  -7.641
  155   3HG2  ILE  21          3HG2      ILE  21   2.798  -2.630  -6.767
  156   1HD1  ILE  21          1HD1      ILE  21  -1.565   0.009  -7.820
  157   2HD1  ILE  21          2HD1      ILE  21  -1.813  -0.483  -6.143
  158   3HD1  ILE  21          3HD1      ILE  21  -0.400   0.477  -6.582
  159    H    LYS  22           H        LYS  22   1.418  -0.096  -3.280
  160    HA   LYS  22           HA       LYS  22   3.244  -1.794  -1.826
  161   1HB   LYS  22          1HB       LYS  22   5.180  -0.185  -2.407
  162   2HB   LYS  22          2HB       LYS  22   4.756  -1.438  -3.566
  163   1HG   LYS  22          1HG       LYS  22   3.395   0.252  -4.790
  164   2HG   LYS  22          2HG       LYS  22   4.028   1.480  -3.690
  165   1HD   LYS  22          1HD       LYS  22   5.377   1.555  -5.640
  166   2HD   LYS  22          2HD       LYS  22   6.339   0.752  -4.397
  167   1HE   LYS  22          1HE       LYS  22   6.518  -0.380  -6.564
  168   2HE   LYS  22          2HE       LYS  22   5.786  -1.417  -5.341
  169   1HZ   LYS  22          1HZ       LYS  22   4.631  -1.537  -7.476
  170   2HZ   LYS  22          2HZ       LYS  22   4.284   0.117  -7.393
  171   3HZ   LYS  22          3HZ       LYS  22   3.619  -0.944  -6.256
  172    H    CYS  23           H        CYS  23   4.515  -0.468  -0.199
  173    HA   CYS  23           HA       CYS  23   2.807   0.976   1.426
  174   1HB   CYS  23          1HB       CYS  23   5.214  -0.048   1.829
  175   2HB   CYS  23          2HB       CYS  23   5.726   1.604   1.500
  176    H    VAL  24           H        VAL  24   2.994   3.261   2.111
  177    HA   VAL  24           HA       VAL  24   3.398   5.004  -0.232
  178    HB   VAL  24           HB       VAL  24   1.060   4.861   0.603
  179   1HG1  VAL  24          1HG1      VAL  24   2.127   6.261   3.050
  180   2HG1  VAL  24          2HG1      VAL  24   0.449   5.828   2.721
  181   3HG1  VAL  24          3HG1      VAL  24   1.650   4.565   2.994
  182   1HG2  VAL  24          1HG2      VAL  24   2.333   6.981  -0.369
  183   2HG2  VAL  24          2HG2      VAL  24   0.642   7.049   0.128
  184   3HG2  VAL  24          2HG3      VAL  24   1.903   7.640   1.210
  185    H    ALA  25           H        ALA  25   5.311   4.135   1.952
  186    HA   ALA  25           HA       ALA  25   6.275   6.830   2.575
  187   1HB   ALA  25          1HB       ALA  25   6.972   5.514   4.854
  188   2HB   ALA  25          2HB       ALA  25   5.575   6.579   4.691
  189   3HB   ALA  25          3HB       ALA  25   5.378   4.834   4.523
  190    H    CYS  26           H        CYS  26   6.973   3.349   2.647
  191    HA   CYS  26           HA       CYS  26   9.807   3.969   2.154
  192   1HB   CYS  26          1HB       CYS  26  10.382   1.885   3.122
  193   2HB   CYS  26          2HB       CYS  26   9.153   2.572   4.180
  194    H    GLU  27           H        GLU  27   6.983   2.799   0.708
  195    HA   GLU  27           HA       GLU  27   6.560   2.073  -1.413
  196   1HB   GLU  27          1HB       GLU  27   9.510   2.071  -1.999
  197   2HB   GLU  27          2HB       GLU  27   8.171   2.309  -3.113
  198   1HG   GLU  27          1HG       GLU  27   9.502   4.229  -1.308
  199   2HG   GLU  27          2HG       GLU  27   8.858   4.454  -2.933
  200    H    THR  28           H        THR  28   6.699   0.233   0.606
  201    HA   THR  28           HA       THR  28   8.381  -1.984  -0.118
  202    HB   THR  28           HB       THR  28   6.810  -1.273   2.140
  203    HG1  THR  28           1HG      THR  28   7.995  -3.146   2.988
  204   1HG2  THR  28          1HG2      THR  28   5.615  -3.301   2.636
  205   2HG2  THR  28          2HG2      THR  28   6.176  -4.051   1.142
  206   3HG2  THR  28          3HG2      THR  28   5.053  -2.693   1.080
  207    HA   PRO  29           HA       PRO  29   5.769  -3.906  -3.092
  208   1HB   PRO  29          1HB       PRO  29   6.588  -6.478  -2.810
  209   2HB   PRO  29          2HB       PRO  29   7.570  -5.238  -3.598
  210   1HG   PRO  29          1HG       PRO  29   7.739  -6.296  -0.803
  211   2HG   PRO  29          2HG       PRO  29   9.048  -5.936  -1.943
  212   1HD   PRO  29          1HD       PRO  29   8.361  -4.253   0.063
  213   2HD   PRO  29          2HD       PRO  29   8.988  -3.676  -1.494
  214    H    LYS  30           H        LYS  30   3.646  -4.046  -2.688
  215    HA   LYS  30           HA       LYS  30   2.411  -4.924  -0.378
  216   1HB   LYS  30          1HB       LYS  30   1.162  -3.669  -1.986
  217   2HB   LYS  30          2HB       LYS  30   1.422  -4.886  -3.229
  218   1HG   LYS  30          1HG       LYS  30   0.148  -6.446  -1.578
  219   2HG   LYS  30          2HG       LYS  30  -0.438  -4.925  -0.898
  220   1HD   LYS  30          1HD       LYS  30  -0.829  -4.468  -3.532
  221   2HD   LYS  30          2HD       LYS  30  -1.056  -6.218  -3.475
  222   1HE   LYS  30          1HE       LYS  30  -2.893  -6.066  -2.088
  223   2HE   LYS  30          2HE       LYS  30  -2.412  -4.495  -1.450
  224   1HZ   LYS  30          1HZ       LYS  30  -3.547  -3.447  -3.031
  225   2HZ   LYS  30          2HZ       LYS  30  -4.282  -4.931  -3.378
  226   3HZ   LYS  30          3HZ       LYS  30  -2.931  -4.428  -4.265
  227    HA   PRO  31           HA       PRO  31   2.832  -9.308  -0.376
  228   1HB   PRO  31          1HB       PRO  31   0.718  -9.937   1.207
  229   2HB   PRO  31          2HB       PRO  31   2.206  -9.215   1.832
  230   1HG   PRO  31          1HG       PRO  31  -0.403  -7.905   1.174
  231   2HG   PRO  31          2HG       PRO  31   0.653  -7.651   2.575
  232   1HD   PRO  31          1HD       PRO  31   0.611  -5.965   0.457
  233   2HD   PRO  31          2HD       PRO  31   2.080  -6.270   1.406
  Start of MODEL   16
    1   1H    GLY   0          1H        GLY   0 -18.864  -4.717  -3.298
    2   1HA   GLY   0          1HA       GLY   0 -18.998  -4.693  -6.203
    3   2HA   GLY   0          2HA       GLY   0 -19.349  -3.159  -5.419
    4    H    HIS   1           H        HIS   1 -17.571  -3.021  -3.398
    5    HA   HIS   1           HA       HIS   1 -14.934  -3.795  -4.032
    6   1HB   HIS   1          1HB       HIS   1 -14.270  -1.246  -4.442
    7   2HB   HIS   1          2HB       HIS   1 -14.677  -2.329  -5.771
    8    HD1  HIS   1           HD1      HIS   1 -15.843  -0.855  -7.395
    9    HD2  HIS   1           HD2      HIS   1 -17.222  -0.303  -3.514
   10    HE1  HIS   1           HE1      HIS   1 -17.789   0.727  -7.591
   11    H    MET   2           H        MET   2 -14.288  -4.068  -1.998
   12    HA   MET   2           HA       MET   2 -15.119  -2.203   0.074
   13   1HB   MET   2          1HB       MET   2 -14.293  -3.797   1.644
   14   2HB   MET   2          2HB       MET   2 -15.155  -4.697   0.404
   15   1HG   MET   2          1HG       MET   2 -13.010  -5.238  -0.666
   16   2HG   MET   2          2HG       MET   2 -12.171  -4.383   0.626
   17   1HE   MET   2          1HE       MET   2 -12.378  -7.228  -0.775
   18   2HE   MET   2          2HE       MET   2 -12.033  -8.417   0.482
   19   3HE   MET   2          3HE       MET   2 -13.682  -8.213  -0.111
   20    H    VAL   3           H        VAL   3 -13.870  -0.653   0.917
   21    HA   VAL   3           HA       VAL   3 -11.064  -0.524   0.037
   22    HB   VAL   3           HB       VAL   3 -13.023   1.639   0.771
   23   1HG1  VAL   3          1HG1      VAL   3 -10.946   3.137   0.271
   24   2HG1  VAL   3          2HG1      VAL   3 -11.182   2.466   1.886
   25   3HG1  VAL   3          3HG1      VAL   3 -10.038   1.711   0.775
   26   1HG2  VAL   3          1HG2      VAL   3 -13.233   1.785  -1.435
   27   2HG2  VAL   3          2HG2      VAL   3 -11.529   2.226  -1.545
   28   3HG2  VAL   3          3HG2      VAL   3 -12.011   0.534  -1.666
   29    H    ILE   4           H        ILE   4 -12.984  -1.164   2.699
   30    HA   ILE   4           HA       ILE   4 -11.201  -0.046   4.691
   31    HB   ILE   4           HB       ILE   4 -13.586  -0.107   5.177
   32   1HG1  ILE   4          1HG1      ILE   4 -13.465  -0.974   7.404
   33   2HG1  ILE   4          2HG1      ILE   4 -12.203  -2.117   6.958
   34   1HG2  ILE   4          1HG2      ILE   4 -13.852  -2.942   5.679
   35   2HG2  ILE   4          2HG2      ILE   4 -14.896  -1.856   4.764
   36   3HG2  ILE   4          3HG2      ILE   4 -13.508  -2.610   3.981
   37   1HD1  ILE   4          1HD1      ILE   4 -10.617  -0.347   6.692
   38   2HD1  ILE   4          2HD1      ILE   4 -11.870   0.871   6.930
   39   3HD1  ILE   4          3HD1      ILE   4 -11.396  -0.180   8.264
   40    H    GLY   5           H        GLY   5  -9.247  -1.132   4.168
   41   1HA   GLY   5          1HA       GLY   5  -8.858  -3.550   5.615
   42   2HA   GLY   5          2HA       GLY   5  -8.864  -3.859   3.885
   43    H    THR   6           H        THR   6  -7.638  -0.969   5.495
   44    HA   THR   6           HA       THR   6  -5.274  -0.844   4.037
   45    HB   THR   6           HB       THR   6  -4.442   0.686   5.820
   46    HG1  THR   6           1HG      THR   6  -5.877   1.114   7.566
   47   1HG2  THR   6          1HG2      THR   6  -6.848   0.968   4.242
   48   2HG2  THR   6          2HG2      THR   6  -5.576   2.147   4.570
   49   3HG2  THR   6          3HG2      THR   6  -6.920   1.962   5.697
   50    H    TRP   7           H        TRP   7  -3.240  -1.623   4.299
   51    HA   TRP   7           HA       TRP   7  -2.875  -3.632   6.412
   52   1HB   TRP   7          1HB       TRP   7  -0.922  -4.343   4.875
   53   2HB   TRP   7          2HB       TRP   7  -2.567  -4.706   4.356
   54    HD1  TRP   7           1HD      TRP   7  -3.618  -2.847   2.522
   55    HE1  TRP   7           1HE      TRP   7  -2.408  -1.705   0.558
   56    HE3  TRP   7           3HE      TRP   7   1.215  -3.519   4.048
   57    HZ2  TRP   7           2HZ      TRP   7   0.246  -1.162  -0.239
   58    HZ3  TRP   7           3HZ      TRP   7   3.030  -2.659   2.627
   59    HH2  TRP   7           2HH      TRP   7   2.554  -1.507   0.528
   60    H    ASP   8           H        ASP   8  -1.218  -3.506   7.840
   61    HA   ASP   8           HA       ASP   8   0.266  -0.995   7.900
   62   1HB   ASP   8          1HB       ASP   8   0.386  -3.122  10.022
   63   2HB   ASP   8          2HB       ASP   8   0.632  -1.385  10.185
   64    H    CYS   9           H        CYS   9   2.394  -0.819   7.531
   65    HA   CYS   9           HA       CYS   9   3.818  -2.882   6.263
   66   1HB   CYS   9          1HB       CYS   9   4.167  -0.280   6.264
   67   2HB   CYS   9          2HB       CYS   9   5.238  -0.619   7.619
   68    H    ASP  10           H        ASP  10   6.154  -3.416   7.098
   69    HA   ASP  10           HA       ASP  10   6.101  -4.046   9.960
   70   1HB   ASP  10          1HB       ASP  10   6.375  -6.006   7.697
   71   2HB   ASP  10          2HB       ASP  10   7.096  -6.340   9.269
   72    H    THR  11           H        THR  11   7.630  -2.446   7.690
   73    HA   THR  11           HA       THR  11  10.299  -3.040   8.787
   74    HB   THR  11           HB       THR  11   9.483  -3.193   6.057
   75    HG1  THR  11           1HG      THR  11  11.950  -3.447   7.448
   76   1HG2  THR  11          1HG2      THR  11  11.100  -1.706   5.003
   77   2HG2  THR  11          2HG2      THR  11  11.571  -1.074   6.580
   78   3HG2  THR  11          3HG3      THR  11   9.947  -0.778   5.960
   79    H    CYS  12           H        CYS  12   8.101  -0.628   7.463
   80    HA   CYS  12           HA       CYS  12   9.804   1.481   8.620
   81   1HB   CYS  12          1HB       CYS  12   9.260   2.907   6.898
   82   2HB   CYS  12          2HB       CYS  12   9.201   1.366   6.047
   83    H    LEU  13           H        LEU  13   6.988  -0.222   9.061
   84    HA   LEU  13           HA       LEU  13   5.164   0.034  10.393
   85   1HB   LEU  13          1HB       LEU  13   7.131   1.945  11.550
   86   2HB   LEU  13          2HB       LEU  13   5.467   1.997  12.128
   87    HG   LEU  13           HG       LEU  13   5.873  -0.595  12.459
   88   1HD1  LEU  13          1HD1      LEU  13   8.528   0.487  11.933
   89   2HD1  LEU  13          2HD1      LEU  13   7.964  -1.184  11.944
   90   3HD1  LEU  13          3HD1      LEU  13   8.416  -0.397  13.455
   91   1HD2  LEU  13          1HD2      LEU  13   5.274   1.025  14.201
   92   2HD2  LEU  13          2HD2      LEU  13   6.968   1.500  14.333
   93   3HD2  LEU  13          3HD2      LEU  13   6.474  -0.136  14.768
   94    H    VAL  14           H        VAL  14   4.142   0.757   8.337
   95    HA   VAL  14           HA       VAL  14   2.814   3.302   8.782
   96    HB   VAL  14           HB       VAL  14   4.410   2.739   6.286
   97   1HG1  VAL  14          1HG1      VAL  14   3.376   5.067   5.664
   98   2HG1  VAL  14          2HG1      VAL  14   2.497   3.575   5.323
   99   3HG1  VAL  14          3HG1      VAL  14   2.080   4.543   6.737
  100   1HG2  VAL  14          1HG2      VAL  14   5.587   3.791   8.191
  101   2HG2  VAL  14          2HG2      VAL  14   5.493   4.840   6.777
  102   3HG2  VAL  14          3HG2      VAL  14   4.420   5.111   8.149
  103    H    GLN  15           H        GLN  15   0.723   3.232   8.191
  104    HA   GLN  15           HA       GLN  15  -0.292   0.756   7.083
  105   1HB   GLN  15          1HB       GLN  15  -1.495   3.148   8.407
  106   2HB   GLN  15          2HB       GLN  15  -2.524   2.122   7.417
  107   1HG   GLN  15          1HG       GLN  15  -1.732   0.178   8.799
  108   2HG   GLN  15          2HG       GLN  15  -0.980   1.355   9.875
  109   1HE2  GLN  15          2HE2      GLN  15  -2.148   1.775  11.594
  110   2HE2  GLN  15          1HE2      GLN  15  -3.873   1.801  11.681
  111    H    ASN  16           H        ASN  16  -1.526   0.565   5.203
  112    HA   ASN  16           HA       ASN  16  -1.693   2.880   3.432
  113   1HB   ASN  16          1HB       ASN  16  -0.686   0.345   2.220
  114   2HB   ASN  16          2HB       ASN  16  -0.430   2.011   1.709
  115   1HD2  ASN  16          2HD2      ASN  16   0.239  -0.003   4.557
  116   2HD2  ASN  16          1HD2      ASN  16   1.873   0.525   4.753
  117    H    LYS  17           H        LYS  17  -3.141   2.555   1.623
  118    HA   LYS  17           HA       LYS  17  -5.473   1.101   2.364
  119   1HB   LYS  17          1HB       LYS  17  -6.501   2.064   0.481
  120   2HB   LYS  17          2HB       LYS  17  -5.344   3.273   1.020
  121   1HG   LYS  17          1HG       LYS  17  -3.841   2.749  -0.737
  122   2HG   LYS  17          2HG       LYS  17  -4.752   1.300  -1.169
  123   1HD   LYS  17          1HD       LYS  17  -5.346   2.907  -2.782
  124   2HD   LYS  17          2HD       LYS  17  -6.702   2.865  -1.653
  125   1HE   LYS  17          1HE       LYS  17  -6.293   5.147  -2.040
  126   2HE   LYS  17          2HE       LYS  17  -5.573   4.810  -0.467
  127   1HZ   LYS  17          1HZ       LYS  17  -4.308   5.586  -2.947
  128   2HZ   LYS  17          2HZ       LYS  17  -3.518   4.340  -2.120
  129   3HZ   LYS  17          3HZ       LYS  17  -3.798   5.820  -1.351
  130    HA   PRO  18           HA       PRO  18  -4.709  -2.804   0.493
  131   1HB   PRO  18          1HB       PRO  18  -7.262  -3.588   0.006
  132   2HB   PRO  18          2HB       PRO  18  -6.561  -3.551   1.628
  133   1HG   PRO  18          1HG       PRO  18  -8.348  -1.556   0.289
  134   2HG   PRO  18          2HG       PRO  18  -8.407  -2.173   1.951
  135   1HD   PRO  18          1HD       PRO  18  -7.332   0.233   1.327
  136   2HD   PRO  18          2HD       PRO  18  -6.729  -0.764   2.667
  137    H    GLU  19           H        GLU  19  -6.121  -0.199  -1.175
  138    HA   GLU  19           HA       GLU  19  -6.442  -1.621  -3.685
  139   1HB   GLU  19          1HB       GLU  19  -8.058  -0.001  -3.608
  140   2HB   GLU  19          2HB       GLU  19  -7.056   1.107  -2.681
  141   1HG   GLU  19          1HG       GLU  19  -5.806   1.698  -4.655
  142   2HG   GLU  19          2HG       GLU  19  -6.687   0.504  -5.606
  143    H    ALA  20           H        ALA  20  -3.899  -0.302  -2.005
  144    HA   ALA  20           HA       ALA  20  -2.447   0.694  -4.318
  145   1HB   ALA  20          1HB       ALA  20  -1.618   0.442  -1.430
  146   2HB   ALA  20          2HB       ALA  20  -0.666   1.205  -2.704
  147   3HB   ALA  20          3HB       ALA  20  -2.216   1.897  -2.226
  148    H    ILE  21           H        ILE  21  -0.165  -0.081  -4.638
  149    HA   ILE  21           HA       ILE  21  -0.133  -3.018  -4.522
  150    HB   ILE  21           HB       ILE  21   0.145  -1.499  -6.716
  151   1HG1  ILE  21          1HG1      ILE  21   0.346  -4.148  -6.116
  152   2HG1  ILE  21          2HG1      ILE  21   0.531  -3.483  -7.736
  153   1HG2  ILE  21          1HG2      ILE  21   2.966  -1.936  -5.746
  154   2HG2  ILE  21          2HG2      ILE  21   2.499  -1.332  -7.335
  155   3HG2  ILE  21          3HG2      ILE  21   2.152  -0.379  -5.893
  156   1HD1  ILE  21          1HD1      ILE  21   2.296  -5.100  -7.051
  157   2HD1  ILE  21          2HD1      ILE  21   2.902  -3.522  -7.557
  158   3HD1  ILE  21          3HD1      ILE  21   2.822  -3.929  -5.843
  159    H    LYS  22           H        LYS  22   1.525  -0.163  -3.495
  160    HA   LYS  22           HA       LYS  22   3.393  -1.819  -1.973
  161   1HB   LYS  22          1HB       LYS  22   5.235  -0.170  -2.549
  162   2HB   LYS  22          2HB       LYS  22   4.761  -1.282  -3.827
  163   1HG   LYS  22          1HG       LYS  22   4.886   0.688  -4.982
  164   2HG   LYS  22          2HG       LYS  22   3.179   0.673  -4.537
  165   1HD   LYS  22          1HD       LYS  22   3.632   2.136  -2.651
  166   2HD   LYS  22          2HD       LYS  22   5.359   2.101  -3.014
  167   1HE   LYS  22          1HE       LYS  22   4.230   4.153  -3.818
  168   2HE   LYS  22          2HE       LYS  22   4.992   3.227  -5.110
  169   1HZ   LYS  22          1HZ       LYS  22   2.254   2.494  -4.647
  170   2HZ   LYS  22          2HZ       LYS  22   3.039   2.876  -6.094
  171   3HZ   LYS  22          3HZ       LYS  22   2.433   4.111  -5.110
  172    H    CYS  23           H        CYS  23   4.707  -0.310  -0.443
  173    HA   CYS  23           HA       CYS  23   2.840   1.023   1.215
  174   1HB   CYS  23          1HB       CYS  23   5.135  -0.122   1.778
  175   2HB   CYS  23          2HB       CYS  23   5.789   1.483   1.463
  176    H    VAL  24           H        VAL  24   2.751   3.236   1.805
  177    HA   VAL  24           HA       VAL  24   3.488   5.032  -0.395
  178    HB   VAL  24           HB       VAL  24   1.087   4.899   0.322
  179   1HG1  VAL  24          1HG1      VAL  24   2.160   6.234   2.805
  180   2HG1  VAL  24          2HG1      VAL  24   0.453   6.096   2.384
  181   3HG1  VAL  24          3HG1      VAL  24   1.402   4.645   2.709
  182   1HG2  VAL  24          1HG2      VAL  24   0.802   6.999  -0.406
  183   2HG2  VAL  24          2HG2      VAL  24   1.751   7.687   0.911
  184   3HG2  VAL  24          2HG3      VAL  24   2.563   7.043  -0.516
  185    H    ALA  25           H        ALA  25   5.115   4.052   2.043
  186    HA   ALA  25           HA       ALA  25   6.070   6.728   2.807
  187   1HB   ALA  25          1HB       ALA  25   5.029   6.099   4.776
  188   2HB   ALA  25          2HB       ALA  25   5.458   4.398   4.580
  189   3HB   ALA  25          3HB       ALA  25   6.692   5.572   5.040
  190    H    CYS  26           H        CYS  26   6.873   3.267   2.669
  191    HA   CYS  26           HA       CYS  26   9.694   4.007   2.277
  192   1HB   CYS  26          1HB       CYS  26  10.314   1.871   3.129
  193   2HB   CYS  26          2HB       CYS  26   9.090   2.507   4.224
  194    H    GLU  27           H        GLU  27   6.943   2.803   0.720
  195    HA   GLU  27           HA       GLU  27   6.580   2.140  -1.431
  196   1HB   GLU  27          1HB       GLU  27   9.536   2.385  -1.952
  197   2HB   GLU  27          2HB       GLU  27   8.213   2.526  -3.101
  198   1HG   GLU  27          1HG       GLU  27   8.660   4.720  -2.860
  199   2HG   GLU  27          2HG       GLU  27   7.563   4.542  -1.491
  200    H    THR  28           H        THR  28   6.766   0.202   0.456
  201    HA   THR  28           HA       THR  28   8.554  -1.882  -0.506
  202    HB   THR  28           HB       THR  28   7.035  -1.402   1.947
  203    HG1  THR  28           1HG      THR  28   9.364  -2.830   1.175
  204   1HG2  THR  28          1HG2      THR  28   7.003  -4.121   0.660
  205   2HG2  THR  28          2HG2      THR  28   5.664  -3.227   1.381
  206   3HG2  THR  28          3HG2      THR  28   6.919  -3.917   2.410
  207    HA   PRO  29           HA       PRO  29   5.599  -3.828  -3.126
  208   1HB   PRO  29          1HB       PRO  29   6.585  -6.358  -3.095
  209   2HB   PRO  29          2HB       PRO  29   7.362  -5.034  -3.971
  210   1HG   PRO  29          1HG       PRO  29   8.032  -6.184  -1.289
  211   2HG   PRO  29          2HG       PRO  29   9.120  -5.706  -2.604
  212   1HD   PRO  29          1HD       PRO  29   8.679  -4.142  -0.439
  213   2HD   PRO  29          2HD       PRO  29   9.017  -3.471  -2.047
  214    H    LYS  30           H        LYS  30   3.579  -4.116  -2.408
  215    HA   LYS  30           HA       LYS  30   2.824  -5.217   0.040
  216   1HB   LYS  30          1HB       LYS  30   1.282  -3.832  -1.156
  217   2HB   LYS  30          2HB       LYS  30   1.302  -4.907  -2.548
  218   1HG   LYS  30          1HG       LYS  30   0.420  -6.640  -0.745
  219   2HG   LYS  30          2HG       LYS  30  -0.143  -5.156   0.025
  220   1HD   LYS  30          1HD       LYS  30  -0.670  -5.350  -2.864
  221   2HD   LYS  30          2HD       LYS  30  -1.531  -6.521  -1.860
  222   1HE   LYS  30          1HE       LYS  30  -2.392  -4.695  -0.478
  223   2HE   LYS  30          2HE       LYS  30  -1.527  -3.527  -1.476
  224   1HZ   LYS  30          1HZ       LYS  30  -3.486  -3.440  -2.546
  225   2HZ   LYS  30          2HZ       LYS  30  -3.986  -4.968  -2.019
  226   3HZ   LYS  30          3HZ       LYS  30  -2.923  -4.831  -3.328
  227    HA   PRO  31           HA       PRO  31   3.267  -9.563  -0.521
  228   1HB   PRO  31          1HB       PRO  31   1.501 -10.416   1.356
  229   2HB   PRO  31          2HB       PRO  31   3.076  -9.724   1.764
  230   1HG   PRO  31          1HG       PRO  31   0.379  -8.424   1.760
  231   2HG   PRO  31          2HG       PRO  31   1.683  -8.291   2.955
  232   1HD   PRO  31          1HD       PRO  31   1.224  -6.391   1.082
  233   2HD   PRO  31          2HD       PRO  31   2.850  -6.753   1.695
  Start of MODEL   17
    1   1H    GLY   0          1H        GLY   0 -19.427  -3.246   7.129
    2   1HA   GLY   0          1HA       GLY   0 -21.417  -1.948   6.769
    3   2HA   GLY   0          2HA       GLY   0 -21.314  -2.213   8.503
    4    H    HIS   1           H        HIS   1 -18.828  -0.359   8.327
    5    HA   HIS   1           HA       HIS   1 -20.305   2.182   8.161
    6   1HB   HIS   1          1HB       HIS   1 -19.846   1.285  10.538
    7   2HB   HIS   1          2HB       HIS   1 -18.165   1.702  10.222
    8    HD1  HIS   1           HD1      HIS   1 -17.517   4.018  10.809
    9    HD2  HIS   1           HD2      HIS   1 -21.616   3.651  10.237
   10    HE1  HIS   1           HE1      HIS   1 -18.483   6.264  11.402
   11    H    MET   2           H        MET   2 -17.175   0.553   8.051
   12    HA   MET   2           HA       MET   2 -16.269   2.121   5.877
   13   1HB   MET   2          1HB       MET   2 -14.427   3.308   6.982
   14   2HB   MET   2          2HB       MET   2 -15.990   3.840   7.589
   15   1HG   MET   2          1HG       MET   2 -15.667   2.287   9.522
   16   2HG   MET   2          2HG       MET   2 -14.027   2.012   8.942
   17   1HE   MET   2          1HE       MET   2 -12.021   4.472   9.178
   18   2HE   MET   2          2HE       MET   2 -12.156   4.188  10.913
   19   3HE   MET   2          3HE       MET   2 -12.330   2.844   9.783
   20    H    VAL   3           H        VAL   3 -15.142   0.679   4.765
   21    HA   VAL   3           HA       VAL   3 -14.213  -1.755   5.712
   22    HB   VAL   3           HB       VAL   3 -14.547  -1.219   3.315
   23   1HG1  VAL   3          1HG1      VAL   3 -13.225   1.009   3.629
   24   2HG1  VAL   3          2HG1      VAL   3 -11.825   0.007   3.238
   25   3HG1  VAL   3          3HG1      VAL   3 -13.157   0.151   2.090
   26   1HG2  VAL   3          1HG2      VAL   3 -12.140  -2.552   4.399
   27   2HG2  VAL   3          2HG2      VAL   3 -13.443  -3.198   3.401
   28   3HG2  VAL   3          3HG2      VAL   3 -12.158  -2.244   2.661
   29    H    ILE   4           H        ILE   4 -12.316  -2.501   6.531
   30    HA   ILE   4           HA       ILE   4 -10.189  -0.520   7.013
   31    HB   ILE   4           HB       ILE   4  -9.702  -1.892   9.116
   32   1HG1  ILE   4          1HG1      ILE   4 -12.598  -2.687   8.791
   33   2HG1  ILE   4          2HG1      ILE   4 -11.256  -3.759   8.410
   34   1HG2  ILE   4          1HG2      ILE   4 -12.292  -0.356   9.107
   35   2HG2  ILE   4          2HG2      ILE   4 -11.162  -0.550  10.446
   36   3HG2  ILE   4          3HG2      ILE   4 -10.699   0.398   9.033
   37   1HD1  ILE   4          1HD1      ILE   4 -12.131  -2.714  11.069
   38   2HD1  ILE   4          2HD1      ILE   4 -11.880  -4.381  10.552
   39   3HD1  ILE   4          3HD1      ILE   4 -10.495  -3.322  10.820
   40    H    GLY   5           H        GLY   5  -9.935  -1.911   4.770
   41   1HA   GLY   5          1HA       GLY   5  -8.545  -4.409   5.190
   42   2HA   GLY   5          2HA       GLY   5  -8.788  -3.593   3.653
   43    H    THR   6           H        THR   6  -7.679  -1.100   5.112
   44    HA   THR   6           HA       THR   6  -5.239  -0.877   4.013
   45    HB   THR   6           HB       THR   6  -4.567   0.587   5.961
   46    HG1  THR   6           1HG      THR   6  -6.400   0.974   7.439
   47   1HG2  THR   6          1HG2      THR   6  -6.858   1.987   5.629
   48   2HG2  THR   6          2HG2      THR   6  -6.957   0.881   4.259
   49   3HG2  THR   6          3HG2      THR   6  -5.556   1.936   4.441
   50    H    TRP   7           H        TRP   7  -3.291  -1.788   4.174
   51    HA   TRP   7           HA       TRP   7  -2.851  -3.723   6.332
   52   1HB   TRP   7          1HB       TRP   7  -0.890  -4.404   4.796
   53   2HB   TRP   7          2HB       TRP   7  -2.527  -4.795   4.275
   54    HD1  TRP   7           1HD      TRP   7  -3.607  -2.961   2.434
   55    HE1  TRP   7           1HE      TRP   7  -2.413  -1.802   0.471
   56    HE3  TRP   7           3HE      TRP   7   1.234  -3.538   3.973
   57    HZ2  TRP   7           2HZ      TRP   7   0.231  -1.211  -0.322
   58    HZ3  TRP   7           3HZ      TRP   7   3.037  -2.648   2.555
   59    HH2  TRP   7           2HH      TRP   7   2.543  -1.509   0.452
   60    H    ASP   8           H        ASP   8  -1.176  -3.572   7.744
   61    HA   ASP   8           HA       ASP   8   0.215  -1.016   7.839
   62   1HB   ASP   8          1HB       ASP   8   0.638  -3.133   9.899
   63   2HB   ASP   8          2HB       ASP   8   0.526  -1.386  10.092
   64    H    CYS   9           H        CYS   9   2.437  -0.770   7.835
   65    HA   CYS   9           HA       CYS   9   3.894  -2.754   6.351
   66   1HB   CYS   9          1HB       CYS   9   4.130  -0.229   6.112
   67   2HB   CYS   9          2HB       CYS   9   5.032  -0.265   7.622
   68    H    ASP  10           H        ASP  10   5.994  -3.592   7.028
   69    HA   ASP  10           HA       ASP  10   6.182  -3.964   9.945
   70   1HB   ASP  10          1HB       ASP  10   5.353  -5.954   8.435
   71   2HB   ASP  10          2HB       ASP  10   7.068  -6.118   8.064
   72    H    THR  11           H        THR  11   7.571  -2.297   7.728
   73    HA   THR  11           HA       THR  11  10.310  -2.941   8.602
   74    HB   THR  11           HB       THR  11   9.323  -2.307   5.840
   75    HG1  THR  11           1HG      THR  11   9.783  -4.492   6.523
   76   1HG2  THR  11          1HG2      THR  11  10.959  -0.637   6.014
   77   2HG2  THR  11          2HG2      THR  11  11.816  -1.999   5.291
   78   3HG2  THR  11          3HG3      THR  11  12.011  -1.645   7.007
   79    H    CYS  12           H        CYS  12   8.181  -0.420   7.281
   80    HA   CYS  12           HA       CYS  12   9.846   1.593   8.642
   81   1HB   CYS  12          1HB       CYS  12   9.424   3.101   6.956
   82   2HB   CYS  12          2HB       CYS  12   9.378   1.599   6.040
   83    H    LEU  13           H        LEU  13   7.064  -0.099   9.001
   84    HA   LEU  13           HA       LEU  13   5.176   0.142  10.247
   85   1HB   LEU  13          1HB       LEU  13   6.337   2.553  11.568
   86   2HB   LEU  13          2HB       LEU  13   5.382   1.245  12.263
   87    HG   LEU  13           HG       LEU  13   8.281   1.073  11.440
   88   1HD1  LEU  13          1HD1      LEU  13   8.316   2.313  13.388
   89   2HD1  LEU  13          2HD1      LEU  13   8.446   0.663  13.995
   90   3HD1  LEU  13          3HD1      LEU  13   6.897   1.504  14.054
   91   1HD2  LEU  13          1HD2      LEU  13   6.290  -0.937  12.373
   92   2HD2  LEU  13          2HD2      LEU  13   7.968  -1.091  12.894
   93   3HD2  LEU  13          3HD2      LEU  13   7.574  -1.092  11.174
   94    H    VAL  14           H        VAL  14   3.707   0.744   8.700
   95    HA   VAL  14           HA       VAL  14   2.512   3.289   8.946
   96    HB   VAL  14           HB       VAL  14   4.608   3.099   6.967
   97   1HG1  VAL  14          1HG1      VAL  14   1.852   3.785   5.955
   98   2HG1  VAL  14          2HG1      VAL  14   3.357   4.096   5.088
   99   3HG1  VAL  14          3HG1      VAL  14   2.861   2.438   5.431
  100   1HG2  VAL  14          1HG2      VAL  14   2.879   5.496   7.336
  101   2HG2  VAL  14          2HG2      VAL  14   3.859   4.938   8.693
  102   3HG2  VAL  14          3HG2      VAL  14   4.632   5.384   7.172
  103    H    GLN  15           H        GLN  15   0.441   3.204   8.264
  104    HA   GLN  15           HA       GLN  15  -0.479   0.712   7.100
  105   1HB   GLN  15          1HB       GLN  15  -2.018   3.122   8.081
  106   2HB   GLN  15          2HB       GLN  15  -2.737   1.606   7.557
  107   1HG   GLN  15          1HG       GLN  15  -1.709   0.429   9.382
  108   2HG   GLN  15          2HG       GLN  15  -0.825   1.876   9.864
  109   1HE2  GLN  15          2HE2      GLN  15  -2.885   0.131  11.198
  110   2HE2  GLN  15          1HE2      GLN  15  -4.079   1.240  11.772
  111    H    ASN  16           H        ASN  16  -1.583   0.499   5.164
  112    HA   ASN  16           HA       ASN  16  -1.811   2.847   3.439
  113   1HB   ASN  16          1HB       ASN  16  -0.660   0.380   2.214
  114   2HB   ASN  16          2HB       ASN  16  -0.460   2.065   1.741
  115   1HD2  ASN  16          2HD2      ASN  16   0.195   0.046   4.590
  116   2HD2  ASN  16          1HD2      ASN  16   1.801   0.630   4.841
  117    H    LYS  17           H        LYS  17  -3.334   2.643   1.770
  118    HA   LYS  17           HA       LYS  17  -5.576   1.055   2.347
  119   1HB   LYS  17          1HB       LYS  17  -6.586   2.028   0.477
  120   2HB   LYS  17          2HB       LYS  17  -5.422   3.242   0.993
  121   1HG   LYS  17          1HG       LYS  17  -3.936   2.701  -0.763
  122   2HG   LYS  17          2HG       LYS  17  -4.827   1.230  -1.159
  123   1HD   LYS  17          1HD       LYS  17  -5.375   2.881  -2.799
  124   2HD   LYS  17          2HD       LYS  17  -6.783   2.672  -1.755
  125   1HE   LYS  17          1HE       LYS  17  -4.746   4.814  -1.236
  126   2HE   LYS  17          2HE       LYS  17  -6.071   5.062  -2.373
  127   1HZ   LYS  17          1HZ       LYS  17  -7.018   3.990   0.081
  128   2HZ   LYS  17          2HZ       LYS  17  -7.466   5.418  -0.706
  129   3HZ   LYS  17          3HZ       LYS  17  -6.147   5.414   0.353
  130    HA   PRO  18           HA       PRO  18  -4.622  -2.822   0.499
  131   1HB   PRO  18          1HB       PRO  18  -7.141  -3.713   0.013
  132   2HB   PRO  18          2HB       PRO  18  -6.443  -3.645   1.635
  133   1HG   PRO  18          1HG       PRO  18  -8.311  -1.728   0.295
  134   2HG   PRO  18          2HG       PRO  18  -8.344  -2.345   1.958
  135   1HD   PRO  18          1HD       PRO  18  -7.371   0.102   1.332
  136   2HD   PRO  18          2HD       PRO  18  -6.727  -0.866   2.672
  137    H    GLU  19           H        GLU  19  -6.118  -0.273  -1.173
  138    HA   GLU  19           HA       GLU  19  -6.395  -1.710  -3.680
  139   1HB   GLU  19          1HB       GLU  19  -6.594   1.267  -3.467
  140   2HB   GLU  19          2HB       GLU  19  -7.486   0.163  -4.504
  141   1HG   GLU  19          1HG       GLU  19  -7.880   0.611  -1.558
  142   2HG   GLU  19          2HG       GLU  19  -8.977   1.050  -2.866
  143    H    ALA  20           H        ALA  20  -3.902  -0.286  -2.001
  144    HA   ALA  20           HA       ALA  20  -2.487   0.810  -4.275
  145   1HB   ALA  20          1HB       ALA  20  -1.367   0.315  -1.528
  146   2HB   ALA  20          2HB       ALA  20  -0.808   1.462  -2.745
  147   3HB   ALA  20          3HB       ALA  20  -2.347   1.727  -1.926
  148    H    ILE  21           H        ILE  21  -0.105   0.097  -4.499
  149    HA   ILE  21           HA       ILE  21  -0.067  -2.845  -4.640
  150    HB   ILE  21           HB       ILE  21   0.104  -2.123  -6.844
  151   1HG1  ILE  21          1HG1      ILE  21   2.438  -2.530  -7.528
  152   2HG1  ILE  21          2HG1      ILE  21   2.961  -2.306  -5.861
  153   1HG2  ILE  21          1HG2      ILE  21   1.993  -0.268  -7.278
  154   2HG2  ILE  21          2HG2      ILE  21   0.301   0.123  -6.973
  155   3HG2  ILE  21          3HG2      ILE  21   1.476   0.204  -5.660
  156   1HD1  ILE  21          1HD1      ILE  21   1.310  -4.237  -5.356
  157   2HD1  ILE  21          2HD1      ILE  21   1.452  -4.567  -7.083
  158   3HD1  ILE  21          3HD1      ILE  21   2.888  -4.594  -6.059
  159    H    LYS  22           H        LYS  22   1.395  -0.119  -3.223
  160    HA   LYS  22           HA       LYS  22   3.269  -1.786  -1.799
  161   1HB   LYS  22          1HB       LYS  22   5.179  -0.156  -2.396
  162   2HB   LYS  22          2HB       LYS  22   4.755  -1.404  -3.559
  163   1HG   LYS  22          1HG       LYS  22   4.913   0.403  -4.937
  164   2HG   LYS  22          2HG       LYS  22   3.198   0.475  -4.527
  165   1HD   LYS  22          1HD       LYS  22   3.605   2.169  -2.874
  166   2HD   LYS  22          2HD       LYS  22   5.352   2.005  -3.072
  167   1HE   LYS  22          1HE       LYS  22   3.528   2.812  -5.325
  168   2HE   LYS  22          2HE       LYS  22   4.252   3.983  -4.223
  169   1HZ   LYS  22          1HZ       LYS  22   5.619   3.799  -6.152
  170   2HZ   LYS  22          2HZ       LYS  22   5.687   2.114  -6.027
  171   3HZ   LYS  22          3HZ       LYS  22   6.448   3.080  -4.865
  172    H    CYS  23           H        CYS  23   4.566  -0.410  -0.209
  173    HA   CYS  23           HA       CYS  23   2.818   1.033   1.412
  174   1HB   CYS  23          1HB       CYS  23   5.166  -0.059   1.892
  175   2HB   CYS  23          2HB       CYS  23   5.761   1.561   1.539
  176    H    VAL  24           H        VAL  24   3.020   3.309   2.095
  177    HA   VAL  24           HA       VAL  24   3.530   5.044  -0.231
  178    HB   VAL  24           HB       VAL  24   1.178   4.986   0.518
  179   1HG1  VAL  24          1HG1      VAL  24   0.483   5.401   2.637
  180   2HG1  VAL  24          2HG1      VAL  24   2.089   4.779   3.020
  181   3HG1  VAL  24          3HG1      VAL  24   1.805   6.519   2.971
  182   1HG2  VAL  24          1HG2      VAL  24   1.949   7.711   1.303
  183   2HG2  VAL  24          2HG2      VAL  24   2.646   7.146  -0.214
  184   3HG2  VAL  24          2HG3      VAL  24   0.897   7.159   0.001
  185    H    ALA  25           H        ALA  25   5.330   4.114   2.061
  186    HA   ALA  25           HA       ALA  25   6.342   6.793   2.712
  187   1HB   ALA  25          1HB       ALA  25   6.635   6.336   4.983
  188   2HB   ALA  25          2HB       ALA  25   5.028   5.705   4.623
  189   3HB   ALA  25          3HB       ALA  25   6.397   4.602   4.760
  190    H    CYS  26           H        CYS  26   6.994   3.313   2.585
  191    HA   CYS  26           HA       CYS  26   9.843   3.928   2.154
  192   1HB   CYS  26          1HB       CYS  26  10.394   1.783   3.037
  193   2HB   CYS  26          2HB       CYS  26   9.236   2.503   4.150
  194    H    GLU  27           H        GLU  27   7.005   2.755   0.708
  195    HA   GLU  27           HA       GLU  27   6.580   2.101  -1.439
  196   1HB   GLU  27          1HB       GLU  27   9.529   2.084  -2.023
  197   2HB   GLU  27          2HB       GLU  27   8.193   2.357  -3.134
  198   1HG   GLU  27          1HG       GLU  27   7.955   4.541  -2.539
  199   2HG   GLU  27          2HG       GLU  27   8.559   4.278  -0.904
  200    H    THR  28           H        THR  28   6.833   0.239   0.625
  201    HA   THR  28           HA       THR  28   8.444  -1.982  -0.197
  202    HB   THR  28           HB       THR  28   6.835  -1.312   2.088
  203    HG1  THR  28           1HG      THR  28   8.709  -2.042   2.747
  204   1HG2  THR  28          1HG2      THR  28   6.418  -4.097   0.991
  205   2HG2  THR  28          2HG2      THR  28   5.180  -2.850   1.145
  206   3HG2  THR  28          3HG2      THR  28   5.927  -3.534   2.589
  207    HA   PRO  29           HA       PRO  29   5.742  -3.859  -3.119
  208   1HB   PRO  29          1HB       PRO  29   6.537  -6.443  -2.874
  209   2HB   PRO  29          2HB       PRO  29   7.516  -5.209  -3.675
  210   1HG   PRO  29          1HG       PRO  29   7.735  -6.290  -0.892
  211   2HG   PRO  29          2HG       PRO  29   9.022  -5.937  -2.058
  212   1HD   PRO  29          1HD       PRO  29   8.400  -4.261  -0.025
  213   2HD   PRO  29          2HD       PRO  29   8.999  -3.680  -1.592
  214    H    LYS  30           H        LYS  30   3.629  -3.991  -2.681
  215    HA   LYS  30           HA       LYS  30   2.425  -4.854  -0.352
  216   1HB   LYS  30          1HB       LYS  30   1.160  -3.598  -1.948
  217   2HB   LYS  30          2HB       LYS  30   1.387  -4.827  -3.186
  218   1HG   LYS  30          1HG       LYS  30   0.138  -6.355  -1.463
  219   2HG   LYS  30          2HG       LYS  30  -0.448  -4.809  -0.843
  220   1HD   LYS  30          1HD       LYS  30  -0.860  -4.440  -3.476
  221   2HD   LYS  30          2HD       LYS  30  -1.052  -6.192  -3.382
  222   1HE   LYS  30          1HE       LYS  30  -2.898  -6.050  -2.014
  223   2HE   LYS  30          2HE       LYS  30  -2.440  -4.469  -1.382
  224   1HZ   LYS  30          1HZ       LYS  30  -3.566  -3.437  -2.984
  225   2HZ   LYS  30          2HZ       LYS  30  -4.310  -4.924  -3.292
  226   3HZ   LYS  30          3HZ       LYS  30  -2.967  -4.446  -4.202
  227    HA   PRO  31           HA       PRO  31   2.821  -9.240  -0.335
  228   1HB   PRO  31          1HB       PRO  31   0.729  -9.850   1.285
  229   2HB   PRO  31          2HB       PRO  31   2.231  -9.134   1.882
  230   1HG   PRO  31          1HG       PRO  31  -0.382  -7.811   1.261
  231   2HG   PRO  31          2HG       PRO  31   0.700  -7.558   2.642
  232   1HD   PRO  31          1HD       PRO  31   0.634  -5.880   0.517
  233   2HD   PRO  31          2HD       PRO  31   2.116  -6.189   1.444
  Start of MODEL   18
    1   1H    GLY   0          1H        GLY   0 -11.988   8.396   9.719
    2   1HA   GLY   0          1HA       GLY   0 -11.141   7.151   7.407
    3   2HA   GLY   0          2HA       GLY   0 -11.739   6.295   8.821
    4    H    HIS   1           H        HIS   1 -12.194   5.032   6.573
    5    HA   HIS   1           HA       HIS   1 -14.917   5.729   5.713
    6   1HB   HIS   1          1HB       HIS   1 -12.770   4.043   4.427
    7   2HB   HIS   1          2HB       HIS   1 -14.434   4.065   3.852
    8    HD1  HIS   1           HD1      HIS   1 -11.293   5.613   3.237
    9    HD2  HIS   1           HD2      HIS   1 -15.236   6.921   3.247
   10    HE1  HIS   1           HE1      HIS   1 -11.299   7.738   1.892
   11    H    MET   2           H        MET   2 -16.030   3.502   4.908
   12    HA   MET   2           HA       MET   2 -16.527   2.064   7.344
   13   1HB   MET   2          1HB       MET   2 -18.336   2.645   5.764
   14   2HB   MET   2          2HB       MET   2 -17.613   1.583   4.563
   15   1HG   MET   2          1HG       MET   2 -19.572   0.661   5.855
   16   2HG   MET   2          2HG       MET   2 -18.124  -0.343   5.796
   17   1HE   MET   2          1HE       MET   2 -16.961  -1.210   8.504
   18   2HE   MET   2          2HE       MET   2 -18.585  -1.603   9.069
   19   3HE   MET   2          3HE       MET   2 -18.183  -1.758   7.357
   20    H    VAL   3           H        VAL   3 -14.037   1.832   5.343
   21    HA   VAL   3           HA       VAL   3 -13.825  -1.089   5.667
   22    HB   VAL   3           HB       VAL   3 -14.143  -0.397   3.275
   23   1HG1  VAL   3          1HG1      VAL   3 -12.571   0.860   2.117
   24   2HG1  VAL   3          2HG1      VAL   3 -12.690   1.708   3.660
   25   3HG1  VAL   3          3HG1      VAL   3 -11.330   0.628   3.349
   26   1HG2  VAL   3          1HG2      VAL   3 -11.409  -1.528   3.418
   27   2HG2  VAL   3          2HG2      VAL   3 -12.682  -2.387   4.284
   28   3HG2  VAL   3          3HG2      VAL   3 -12.832  -2.105   2.550
   29    H    ILE   4           H        ILE   4 -12.068  -1.783   6.716
   30    HA   ILE   4           HA       ILE   4  -9.838   0.107   7.093
   31    HB   ILE   4           HB       ILE   4  -9.470  -1.009   9.315
   32   1HG1  ILE   4          1HG1      ILE   4 -12.301  -1.997   8.939
   33   2HG1  ILE   4          2HG1      ILE   4 -10.881  -3.019   8.742
   34   1HG2  ILE   4          1HG2      ILE   4 -12.167   0.297   9.227
   35   2HG2  ILE   4          2HG2      ILE   4 -10.902   0.445  10.445
   36   3HG2  ILE   4          3HG2      ILE   4 -10.697   1.200   8.864
   37   1HD1  ILE   4          1HD1      ILE   4 -11.585  -3.464  10.901
   38   2HD1  ILE   4          2HD1      ILE   4 -10.292  -2.287  11.134
   39   3HD1  ILE   4          3HD1      ILE   4 -11.978  -1.777  11.228
   40    H    GLY   5           H        GLY   5 -10.051  -1.876   5.030
   41   1HA   GLY   5          1HA       GLY   5  -8.600  -4.223   5.730
   42   2HA   GLY   5          2HA       GLY   5  -8.890  -3.632   4.101
   43    H    THR   6           H        THR   6  -7.612  -1.018   5.320
   44    HA   THR   6           HA       THR   6  -5.251  -0.970   4.027
   45    HB   THR   6           HB       THR   6  -4.397   0.630   5.752
   46    HG1  THR   6           1HG      THR   6  -6.360  -0.592   7.211
   47   1HG2  THR   6          1HG2      THR   6  -6.823   0.831   4.186
   48   2HG2  THR   6          2HG2      THR   6  -5.552   2.025   4.445
   49   3HG2  THR   6          3HG2      THR   6  -6.880   1.887   5.597
   50    H    TRP   7           H        TRP   7  -3.243  -1.794   4.204
   51    HA   TRP   7           HA       TRP   7  -2.781  -3.730   6.353
   52   1HB   TRP   7          1HB       TRP   7  -0.784  -4.341   4.821
   53   2HB   TRP   7          2HB       TRP   7  -2.408  -4.775   4.295
   54    HD1  TRP   7           1HD      TRP   7  -3.535  -2.993   2.448
   55    HE1  TRP   7           1HE      TRP   7  -2.374  -1.769   0.504
   56    HE3  TRP   7           3HE      TRP   7   1.310  -3.360   4.037
   57    HZ2  TRP   7           2HZ      TRP   7   0.248  -1.056  -0.256
   58    HZ3  TRP   7           3HZ      TRP   7   3.085  -2.382   2.642
   59    HH2  TRP   7           2HH      TRP   7   2.564  -1.254   0.540
   60    H    ASP   8           H        ASP   8  -1.148  -3.552   7.802
   61    HA   ASP   8           HA       ASP   8   0.269  -0.997   7.866
   62   1HB   ASP   8          1HB       ASP   8   0.315  -3.099  10.025
   63   2HB   ASP   8          2HB       ASP   8   0.616  -1.370  10.175
   64    H    CYS   9           H        CYS   9   2.372  -0.800   7.442
   65    HA   CYS   9           HA       CYS   9   3.872  -2.860   6.296
   66   1HB   CYS   9          1HB       CYS   9   4.183  -0.264   6.230
   67   2HB   CYS   9          2HB       CYS   9   5.203  -0.533   7.640
   68    H    ASP  10           H        ASP  10   6.101  -3.510   7.138
   69    HA   ASP  10           HA       ASP  10   6.038  -4.016  10.031
   70   1HB   ASP  10          1HB       ASP  10   5.239  -5.992   8.580
   71   2HB   ASP  10          2HB       ASP  10   6.924  -6.136   8.086
   72    H    THR  11           H        THR  11   7.597  -2.433   7.797
   73    HA   THR  11           HA       THR  11  10.255  -3.046   8.909
   74    HB   THR  11           HB       THR  11   9.510  -2.451   6.054
   75    HG1  THR  11           1HG      THR  11  10.226  -4.623   7.415
   76   1HG2  THR  11          1HG2      THR  11  11.305  -0.902   6.640
   77   2HG2  THR  11          2HG2      THR  11  11.902  -2.170   5.569
   78   3HG2  THR  11          3HG3      THR  11  12.254  -2.234   7.296
   79    H    CYS  12           H        CYS  12   8.204  -0.581   7.393
   80    HA   CYS  12           HA       CYS  12   9.862   1.497   8.654
   81   1HB   CYS  12          1HB       CYS  12   9.354   2.929   6.927
   82   2HB   CYS  12          2HB       CYS  12   9.287   1.389   6.074
   83    H    LEU  13           H        LEU  13   6.978  -0.155   8.993
   84    HA   LEU  13           HA       LEU  13   5.164   0.107  10.337
   85   1HB   LEU  13          1HB       LEU  13   7.138   1.998  11.500
   86   2HB   LEU  13          2HB       LEU  13   5.464   2.116  12.041
   87    HG   LEU  13           HG       LEU  13   5.642  -0.369  12.592
   88   1HD1  LEU  13          1HD1      LEU  13   7.500  -1.292  11.711
   89   2HD1  LEU  13          2HD1      LEU  13   8.235  -0.717  13.207
   90   3HD1  LEU  13          3HD1      LEU  13   8.396   0.228  11.727
   91   1HD2  LEU  13          1HD2      LEU  13   5.772   1.654  14.171
   92   2HD2  LEU  13          2HD2      LEU  13   7.506   1.327  14.218
   93   3HD2  LEU  13          3HD2      LEU  13   6.360   0.099  14.759
   94    H    VAL  14           H        VAL  14   4.022   0.761   8.393
   95    HA   VAL  14           HA       VAL  14   2.750   3.328   8.753
   96    HB   VAL  14           HB       VAL  14   4.337   2.738   6.256
   97   1HG1  VAL  14          1HG1      VAL  14   3.227   5.205   5.873
   98   2HG1  VAL  14          2HG1      VAL  14   2.646   3.705   5.149
   99   3HG1  VAL  14          3HG1      VAL  14   1.905   4.317   6.627
  100   1HG2  VAL  14          1HG2      VAL  14   4.404   5.000   8.247
  101   2HG2  VAL  14          2HG2      VAL  14   5.642   3.769   8.000
  102   3HG2  VAL  14          3HG2      VAL  14   5.321   4.962   6.742
  103    H    GLN  15           H        GLN  15   0.659   3.244   8.169
  104    HA   GLN  15           HA       GLN  15  -0.350   0.756   7.084
  105   1HB   GLN  15          1HB       GLN  15  -1.616   3.196   8.292
  106   2HB   GLN  15          2HB       GLN  15  -2.593   2.015   7.430
  107   1HG   GLN  15          1HG       GLN  15  -2.283   0.391   9.015
  108   2HG   GLN  15          2HG       GLN  15  -0.756   1.072   9.570
  109   1HE2  GLN  15          2HE2      GLN  15  -4.158   2.062   9.311
  110   2HE2  GLN  15          1HE2      GLN  15  -4.254   2.750  10.893
  111    H    ASN  16           H        ASN  16  -1.556   0.533   5.196
  112    HA   ASN  16           HA       ASN  16  -1.758   2.829   3.406
  113   1HB   ASN  16          1HB       ASN  16  -0.680   0.311   2.219
  114   2HB   ASN  16          2HB       ASN  16  -0.462   1.980   1.699
  115   1HD2  ASN  16          2HD2      ASN  16   0.265  -0.063   4.510
  116   2HD2  ASN  16          1HD2      ASN  16   1.872   0.528   4.736
  117    H    LYS  17           H        LYS  17  -3.239   2.519   1.660
  118    HA   LYS  17           HA       LYS  17  -5.511   0.975   2.373
  119   1HB   LYS  17          1HB       LYS  17  -6.572   1.927   0.499
  120   2HB   LYS  17          2HB       LYS  17  -5.455   3.165   1.058
  121   1HG   LYS  17          1HG       LYS  17  -3.977   2.798  -0.718
  122   2HG   LYS  17          2HG       LYS  17  -4.711   1.245  -1.121
  123   1HD   LYS  17          1HD       LYS  17  -5.619   2.565  -2.760
  124   2HD   LYS  17          2HD       LYS  17  -6.851   2.731  -1.505
  125   1HE   LYS  17          1HE       LYS  17  -6.378   4.908  -2.373
  126   2HE   LYS  17          2HE       LYS  17  -5.694   4.809  -0.751
  127   1HZ   LYS  17          1HZ       LYS  17  -4.291   5.807  -2.646
  128   2HZ   LYS  17          2HZ       LYS  17  -4.024   4.199  -3.100
  129   3HZ   LYS  17          3HZ       LYS  17  -3.553   4.735  -1.565
  130    HA   PRO  18           HA       PRO  18  -4.644  -2.885   0.453
  131   1HB   PRO  18          1HB       PRO  18  -7.176  -3.737  -0.029
  132   2HB   PRO  18          2HB       PRO  18  -6.467  -3.698   1.590
  133   1HG   PRO  18          1HG       PRO  18  -8.318  -1.741   0.285
  134   2HG   PRO  18          2HG       PRO  18  -8.350  -2.378   1.939
  135   1HD   PRO  18          1HD       PRO  18  -7.349   0.065   1.338
  136   2HD   PRO  18          2HD       PRO  18  -6.709  -0.929   2.663
  137    H    GLU  19           H        GLU  19  -6.152  -0.305  -1.176
  138    HA   GLU  19           HA       GLU  19  -6.440  -1.707  -3.700
  139   1HB   GLU  19          1HB       GLU  19  -8.105  -0.139  -3.590
  140   2HB   GLU  19          2HB       GLU  19  -7.128   0.992  -2.664
  141   1HG   GLU  19          1HG       GLU  19  -5.934   1.662  -4.632
  142   2HG   GLU  19          2HG       GLU  19  -6.737   0.420  -5.590
  143    H    ALA  20           H        ALA  20  -3.930  -0.326  -2.018
  144    HA   ALA  20           HA       ALA  20  -2.526   0.794  -4.291
  145   1HB   ALA  20          1HB       ALA  20  -1.689   0.376  -1.426
  146   2HB   ALA  20          2HB       ALA  20  -0.694   1.158  -2.655
  147   3HB   ALA  20          3HB       ALA  20  -2.228   1.882  -2.171
  148    H    ILE  21           H        ILE  21  -0.100   0.079  -4.431
  149    HA   ILE  21           HA       ILE  21  -0.063  -2.865  -4.580
  150    HB   ILE  21           HB       ILE  21   1.070  -2.820  -6.580
  151   1HG1  ILE  21          1HG1      ILE  21   1.927  -0.001  -5.900
  152   2HG1  ILE  21          2HG1      ILE  21   2.939  -1.441  -5.911
  153   1HG2  ILE  21          1HG2      ILE  21  -1.128  -1.969  -7.005
  154   2HG2  ILE  21          2HG2      ILE  21  -0.627  -0.331  -6.588
  155   3HG2  ILE  21          3HG2      ILE  21   0.007  -1.104  -8.041
  156   1HD1  ILE  21          1HD1      ILE  21   3.499  -0.394  -7.888
  157   2HD1  ILE  21          2HD1      ILE  21   2.297  -1.578  -8.408
  158   3HD1  ILE  21          3HD1      ILE  21   1.841   0.114  -8.208
  159    H    LYS  22           H        LYS  22   1.384  -0.105  -3.235
  160    HA   LYS  22           HA       LYS  22   3.367  -1.729  -1.899
  161   1HB   LYS  22          1HB       LYS  22   5.225  -0.138  -2.505
  162   2HB   LYS  22          2HB       LYS  22   4.675  -1.178  -3.813
  163   1HG   LYS  22          1HG       LYS  22   3.219   0.753  -4.556
  164   2HG   LYS  22          2HG       LYS  22   4.126   1.746  -3.413
  165   1HD   LYS  22          1HD       LYS  22   6.220   1.039  -4.569
  166   2HD   LYS  22          2HD       LYS  22   5.222   0.225  -5.776
  167   1HE   LYS  22          1HE       LYS  22   5.751   2.326  -6.702
  168   2HE   LYS  22          2HE       LYS  22   4.086   2.464  -6.136
  169   1HZ   LYS  22          1HZ       LYS  22   5.640   3.227  -4.006
  170   2HZ   LYS  22          2HZ       LYS  22   4.745   4.244  -5.018
  171   3HZ   LYS  22          3HZ       LYS  22   6.378   3.948  -5.347
  172    H    CYS  23           H        CYS  23   4.756  -0.174  -0.436
  173    HA   CYS  23           HA       CYS  23   2.908   1.163   1.264
  174   1HB   CYS  23          1HB       CYS  23   5.222  -0.025   1.766
  175   2HB   CYS  23          2HB       CYS  23   5.848   1.604   1.530
  176    H    VAL  24           H        VAL  24   2.856   3.375   1.846
  177    HA   VAL  24           HA       VAL  24   3.626   5.157  -0.355
  178    HB   VAL  24           HB       VAL  24   1.229   5.079   0.378
  179   1HG1  VAL  24          1HG1      VAL  24   1.890   6.772   2.721
  180   2HG1  VAL  24          2HG1      VAL  24   0.530   5.677   2.459
  181   3HG1  VAL  24          3HG1      VAL  24   2.115   5.031   2.885
  182   1HG2  VAL  24          1HG2      VAL  24   1.174   7.080  -0.581
  183   2HG2  VAL  24          2HG2      VAL  24   1.643   7.826   0.946
  184   3HG2  VAL  24          2HG3      VAL  24   2.880   7.319  -0.204
  185    H    ALA  25           H        ALA  25   5.336   4.153   1.952
  186    HA   ALA  25           HA       ALA  25   6.349   6.797   2.724
  187   1HB   ALA  25          1HB       ALA  25   5.976   4.478   4.615
  188   2HB   ALA  25          2HB       ALA  25   6.802   5.988   5.001
  189   3HB   ALA  25          3HB       ALA  25   5.078   5.996   4.627
  190    H    CYS  26           H        CYS  26   7.001   3.305   2.634
  191    HA   CYS  26           HA       CYS  26   9.853   3.918   2.231
  192   1HB   CYS  26          1HB       CYS  26  10.393   1.795   3.149
  193   2HB   CYS  26          2HB       CYS  26   9.177   2.487   4.216
  194    H    GLU  27           H        GLU  27   7.052   2.816   0.701
  195    HA   GLU  27           HA       GLU  27   6.670   2.156  -1.451
  196   1HB   GLU  27          1HB       GLU  27   9.595   1.989  -2.051
  197   2HB   GLU  27          2HB       GLU  27   8.271   2.499  -3.089
  198   1HG   GLU  27          1HG       GLU  27   8.128   4.463  -1.322
  199   2HG   GLU  27          2HG       GLU  27   9.824   4.043  -1.095
  200    H    THR  28           H        THR  28   6.953   0.306   0.689
  201    HA   THR  28           HA       THR  28   8.486  -1.954  -0.159
  202    HB   THR  28           HB       THR  28   6.763  -1.291   2.111
  203    HG1  THR  28           1HG      THR  28   9.217  -1.991   1.706
  204   1HG2  THR  28          1HG2      THR  28   6.704  -4.061   0.930
  205   2HG2  THR  28          2HG2      THR  28   5.342  -3.047   1.410
  206   3HG2  THR  28          3HG2      THR  28   6.394  -3.750   2.637
  207    HA   PRO  29           HA       PRO  29   5.672  -3.760  -3.024
  208   1HB   PRO  29          1HB       PRO  29   6.488  -6.344  -2.860
  209   2HB   PRO  29          2HB       PRO  29   7.428  -5.091  -3.679
  210   1HG   PRO  29          1HG       PRO  29   7.769  -6.219  -0.927
  211   2HG   PRO  29          2HG       PRO  29   9.004  -5.839  -2.142
  212   1HD   PRO  29          1HD       PRO  29   8.461  -4.203  -0.054
  213   2HD   PRO  29          2HD       PRO  29   8.990  -3.591  -1.633
  214    H    LYS  30           H        LYS  30   3.579  -3.929  -2.518
  215    HA   LYS  30           HA       LYS  30   2.724  -5.375  -0.155
  216   1HB   LYS  30          1HB       LYS  30   1.596  -3.309  -0.551
  217   2HB   LYS  30          2HB       LYS  30   1.253  -3.742  -2.220
  218   1HG   LYS  30          1HG       LYS  30  -0.074  -5.709  -1.139
  219   2HG   LYS  30          2HG       LYS  30  -0.062  -4.671   0.288
  220   1HD   LYS  30          1HD       LYS  30  -1.336  -3.032  -0.732
  221   2HD   LYS  30          2HD       LYS  30  -0.876  -3.542  -2.358
  222   1HE   LYS  30          1HE       LYS  30  -2.152  -5.760  -1.420
  223   2HE   LYS  30          2HE       LYS  30  -3.057  -4.470  -0.629
  224   1HZ   LYS  30          1HZ       LYS  30  -3.468  -3.465  -2.767
  225   2HZ   LYS  30          2HZ       LYS  30  -3.992  -5.073  -2.791
  226   3HZ   LYS  30          3HZ       LYS  30  -2.541  -4.645  -3.549
  227    HA   PRO  31           HA       PRO  31   1.829  -9.169  -2.203
  228   1HB   PRO  31          1HB       PRO  31  -0.025 -10.156  -0.482
  229   2HB   PRO  31          2HB       PRO  31   1.700 -10.097  -0.105
  230   1HG   PRO  31          1HG       PRO  31  -0.487  -8.231   0.731
  231   2HG   PRO  31          2HG       PRO  31   0.852  -8.889   1.691
  232   1HD   PRO  31          1HD       PRO  31   0.893  -6.387   0.657
  233   2HD   PRO  31          2HD       PRO  31   2.364  -7.359   0.864
  Start of MODEL   19
    1   1H    GLY   0          1H        GLY   0 -22.361  -3.745  -4.156
    2   1HA   GLY   0          1HA       GLY   0 -21.670  -1.401  -4.114
    3   2HA   GLY   0          2HA       GLY   0 -21.400  -1.585  -2.387
    4    H    HIS   1           H        HIS   1 -19.443  -2.230  -1.672
    5    HA   HIS   1           HA       HIS   1 -17.548  -3.414  -3.551
    6   1HB   HIS   1          1HB       HIS   1 -17.233  -0.743  -2.224
    7   2HB   HIS   1          2HB       HIS   1 -15.811  -1.725  -2.568
    8    HD1  HIS   1           HD1      HIS   1 -17.749   0.867  -4.012
    9    HD2  HIS   1           HD2      HIS   1 -15.876  -2.530  -5.501
   10    HE1  HIS   1           HE1      HIS   1 -17.491   1.270  -6.481
   11    H    MET   2           H        MET   2 -15.657  -4.326  -2.500
   12    HA   MET   2           HA       MET   2 -16.036  -4.807   0.379
   13   1HB   MET   2          1HB       MET   2 -15.101  -6.902  -1.583
   14   2HB   MET   2          2HB       MET   2 -15.495  -7.129   0.117
   15   1HG   MET   2          1HG       MET   2 -17.817  -6.754  -0.303
   16   2HG   MET   2          2HG       MET   2 -17.489  -6.290  -1.971
   17   1HE   MET   2          1HE       MET   2 -18.186  -8.880   0.553
   18   2HE   MET   2          2HE       MET   2 -17.949 -10.446  -0.222
   19   3HE   MET   2          3HE       MET   2 -16.560  -9.543   0.383
   20    H    VAL   3           H        VAL   3 -14.342  -2.857  -0.700
   21    HA   VAL   3           HA       VAL   3 -11.698  -3.998  -0.071
   22    HB   VAL   3           HB       VAL   3 -10.747  -2.162  -1.528
   23   1HG1  VAL   3          1HG1      VAL   3 -11.897  -4.692  -2.247
   24   2HG1  VAL   3          2HG1      VAL   3 -11.975  -3.578  -3.615
   25   3HG1  VAL   3          3HG1      VAL   3 -10.426  -3.922  -2.844
   26   1HG2  VAL   3          1HG2      VAL   3 -12.045  -0.764  -2.707
   27   2HG2  VAL   3          2HG2      VAL   3 -13.188  -2.035  -3.138
   28   3HG2  VAL   3          3HG2      VAL   3 -13.314  -1.228  -1.575
   29    H    ILE   4           H        ILE   4 -13.249  -3.065   1.957
   30    HA   ILE   4           HA       ILE   4 -12.241  -0.360   2.522
   31    HB   ILE   4           HB       ILE   4 -14.542  -1.903   3.711
   32   1HG1  ILE   4          1HG1      ILE   4 -15.650   0.366   2.993
   33   2HG1  ILE   4          2HG1      ILE   4 -14.243   0.499   1.943
   34   1HG2  ILE   4          1HG2      ILE   4 -14.647   0.621   4.797
   35   2HG2  ILE   4          2HG2      ILE   4 -14.116  -0.841   5.627
   36   3HG2  ILE   4          3HG2      ILE   4 -12.930   0.224   4.873
   37   1HD1  ILE   4          1HD1      ILE   4 -15.094  -2.044   1.442
   38   2HD1  ILE   4          2HD1      ILE   4 -16.609  -1.181   1.706
   39   3HD1  ILE   4          3HD1      ILE   4 -15.480  -0.622   0.473
   40    H    GLY   5           H        GLY   5 -10.131  -1.516   2.901
   41   1HA   GLY   5          1HA       GLY   5  -9.949  -2.161   5.757
   42   2HA   GLY   5          2HA       GLY   5  -9.293  -3.313   4.604
   43    H    THR   6           H        THR   6  -7.215  -3.048   5.520
   44    HA   THR   6           HA       THR   6  -5.556  -1.226   4.200
   45    HB   THR   6           HB       THR   6  -4.859  -0.078   6.517
   46    HG1  THR   6           1HG      THR   6  -6.662  -1.097   7.608
   47   1HG2  THR   6          1HG2      THR   6  -5.296   1.708   5.261
   48   2HG2  THR   6          2HG2      THR   6  -7.026   1.490   5.530
   49   3HG2  THR   6          3HG2      THR   6  -6.239   0.699   4.165
   50    H    TRP   7           H        TRP   7  -3.365  -1.611   4.586
   51    HA   TRP   7           HA       TRP   7  -2.793  -3.783   6.495
   52   1HB   TRP   7          1HB       TRP   7  -0.981  -4.460   4.844
   53   2HB   TRP   7          2HB       TRP   7  -2.641  -4.766   4.342
   54    HD1  TRP   7           1HD      TRP   7  -3.689  -2.825   2.601
   55    HE1  TRP   7           1HE      TRP   7  -2.491  -1.619   0.667
   56    HE3  TRP   7           3HE      TRP   7   1.157  -3.622   4.023
   57    HZ2  TRP   7           2HZ      TRP   7   0.156  -1.079  -0.147
   58    HZ3  TRP   7           3HZ      TRP   7   2.962  -2.728   2.611
   59    HH2  TRP   7           2HH      TRP   7   2.470  -1.484   0.569
   60    H    ASP   8           H        ASP   8  -1.084  -3.530   7.826
   61    HA   ASP   8           HA       ASP   8   0.324  -0.970   7.703
   62   1HB   ASP   8          1HB       ASP   8   0.426  -3.002   9.933
   63   2HB   ASP   8          2HB       ASP   8   0.873  -1.301  10.004
   64    H    CYS   9           H        CYS   9   2.532  -0.781   7.584
   65    HA   CYS   9           HA       CYS   9   3.938  -2.834   6.234
   66   1HB   CYS   9          1HB       CYS   9   4.302  -0.246   6.235
   67   2HB   CYS   9          2HB       CYS   9   5.332  -0.572   7.626
   68    H    ASP  10           H        ASP  10   6.191  -3.513   7.034
   69    HA   ASP  10           HA       ASP  10   6.087  -4.192   9.897
   70   1HB   ASP  10          1HB       ASP  10   5.410  -6.110   8.392
   71   2HB   ASP  10          2HB       ASP  10   7.051  -6.086   7.751
   72    H    THR  11           H        THR  11   7.698  -2.548   7.619
   73    HA   THR  11           HA       THR  11  10.321  -3.038   8.876
   74    HB   THR  11           HB       THR  11   9.643  -2.369   6.023
   75    HG1  THR  11           1HG      THR  11  11.637  -4.163   6.848
   76   1HG2  THR  11          1HG2      THR  11  12.332  -2.038   7.362
   77   2HG2  THR  11          2HG2      THR  11  11.323  -0.740   6.725
   78   3HG2  THR  11          3HG3      THR  11  12.026  -1.928   5.629
   79    H    CYS  12           H        CYS  12   8.398  -0.552   7.195
   80    HA   CYS  12           HA       CYS  12   9.873   1.521   8.650
   81   1HB   CYS  12          1HB       CYS  12   9.344   2.991   6.961
   82   2HB   CYS  12          2HB       CYS  12   9.346   1.479   6.057
   83    H    LEU  13           H        LEU  13   7.042  -0.242   8.875
   84    HA   LEU  13           HA       LEU  13   5.174  -0.079  10.160
   85   1HB   LEU  13          1HB       LEU  13   7.090   1.760  11.496
   86   2HB   LEU  13          2HB       LEU  13   5.403   1.808  12.003
   87    HG   LEU  13           HG       LEU  13   5.755  -0.798  12.234
   88   1HD1  LEU  13          1HD1      LEU  13   8.441  -0.160  13.189
   89   2HD1  LEU  13          2HD1      LEU  13   8.275  -0.113  11.434
   90   3HD1  LEU  13          3HD1      LEU  13   7.847  -1.576  12.322
   91   1HD2  LEU  13          1HD2      LEU  13   6.147  -0.481  14.562
   92   2HD2  LEU  13          2HD2      LEU  13   5.175   0.879  14.002
   93   3HD2  LEU  13          3HD2      LEU  13   6.904   1.087  14.283
   94    H    VAL  14           H        VAL  14   4.017   0.671   8.287
   95    HA   VAL  14           HA       VAL  14   2.771   3.238   8.755
   96    HB   VAL  14           HB       VAL  14   4.273   2.700   6.192
   97   1HG1  VAL  14          1HG1      VAL  14   3.331   5.128   5.761
   98   2HG1  VAL  14          2HG1      VAL  14   2.402   3.691   5.330
   99   3HG1  VAL  14          3HG1      VAL  14   2.041   4.562   6.821
  100   1HG2  VAL  14          1HG2      VAL  14   4.501   4.928   8.213
  101   2HG2  VAL  14          2HG2      VAL  14   5.635   3.591   8.019
  102   3HG2  VAL  14          3HG2      VAL  14   5.440   4.777   6.729
  103    H    GLN  15           H        GLN  15   0.678   3.243   8.138
  104    HA   GLN  15           HA       GLN  15  -0.410   0.781   7.077
  105   1HB   GLN  15          1HB       GLN  15  -1.508   3.225   8.373
  106   2HB   GLN  15          2HB       GLN  15  -2.584   2.308   7.327
  107   1HG   GLN  15          1HG       GLN  15  -2.080   0.285   8.665
  108   2HG   GLN  15          2HG       GLN  15  -1.131   1.292   9.757
  109   1HE2  GLN  15          2HE2      GLN  15  -2.282   3.100  10.783
  110   2HE2  GLN  15          1HE2      GLN  15  -3.939   2.877  11.218
  111    H    ASN  16           H        ASN  16  -1.570   0.551   5.173
  112    HA   ASN  16           HA       ASN  16  -1.686   2.820   3.338
  113   1HB   ASN  16          1HB       ASN  16  -0.670   0.247   2.215
  114   2HB   ASN  16          2HB       ASN  16  -0.393   1.898   1.666
  115   1HD2  ASN  16          2HD2      ASN  16   0.264  -0.178   4.467
  116   2HD2  ASN  16          1HD2      ASN  16   1.874   0.396   4.728
  117    H    LYS  17           H        LYS  17  -3.213   2.588   1.661
  118    HA   LYS  17           HA       LYS  17  -5.514   1.097   2.348
  119   1HB   LYS  17          1HB       LYS  17  -6.544   2.092   0.497
  120   2HB   LYS  17          2HB       LYS  17  -5.337   3.274   0.983
  121   1HG   LYS  17          1HG       LYS  17  -3.898   2.670  -0.801
  122   2HG   LYS  17          2HG       LYS  17  -4.871   1.248  -1.188
  123   1HD   LYS  17          1HD       LYS  17  -6.684   2.615  -1.949
  124   2HD   LYS  17          2HD       LYS  17  -5.890   4.080  -1.366
  125   1HE   LYS  17          1HE       LYS  17  -4.607   2.310  -3.421
  126   2HE   LYS  17          2HE       LYS  17  -5.771   3.552  -3.877
  127   1HZ   LYS  17          1HZ       LYS  17  -3.097   3.918  -3.542
  128   2HZ   LYS  17          2HZ       LYS  17  -3.744   4.530  -2.104
  129   3HZ   LYS  17          3HZ       LYS  17  -4.262   5.144  -3.593
  130    HA   PRO  18           HA       PRO  18  -4.757  -2.808   0.474
  131   1HB   PRO  18          1HB       PRO  18  -7.311  -3.585  -0.020
  132   2HB   PRO  18          2HB       PRO  18  -6.615  -3.551   1.605
  133   1HG   PRO  18          1HG       PRO  18  -8.392  -1.550   0.263
  134   2HG   PRO  18          2HG       PRO  18  -8.456  -2.168   1.924
  135   1HD   PRO  18          1HD       PRO  18  -7.374   0.235   1.305
  136   2HD   PRO  18          2HD       PRO  18  -6.777  -0.764   2.646
  137    H    GLU  19           H        GLU  19  -6.137  -0.194  -1.196
  138    HA   GLU  19           HA       GLU  19  -6.462  -1.614  -3.708
  139   1HB   GLU  19          1HB       GLU  19  -6.543   1.363  -3.538
  140   2HB   GLU  19          2HB       GLU  19  -7.516   0.271  -4.511
  141   1HG   GLU  19          1HG       GLU  19  -8.706  -0.430  -2.461
  142   2HG   GLU  19          2HG       GLU  19  -7.786   0.772  -1.557
  143    H    ALA  20           H        ALA  20  -3.920  -0.308  -2.017
  144    HA   ALA  20           HA       ALA  20  -2.458   0.705  -4.312
  145   1HB   ALA  20          1HB       ALA  20  -2.201   1.873  -2.213
  146   2HB   ALA  20          2HB       ALA  20  -1.647   0.395  -1.425
  147   3HB   ALA  20          3HB       ALA  20  -0.662   1.147  -2.680
  148    H    ILE  21           H        ILE  21  -0.104  -0.071  -4.498
  149    HA   ILE  21           HA       ILE  21  -0.109  -3.017  -4.451
  150    HB   ILE  21           HB       ILE  21   0.010  -2.465  -6.705
  151   1HG1  ILE  21          1HG1      ILE  21   2.306  -2.962  -7.421
  152   2HG1  ILE  21          2HG1      ILE  21   2.899  -2.578  -5.809
  153   1HG2  ILE  21          1HG2      ILE  21   1.806  -0.671  -7.412
  154   2HG2  ILE  21          2HG2      ILE  21   0.191  -0.193  -6.889
  155   3HG2  ILE  21          3HG2      ILE  21   1.546  -0.099  -5.764
  156   1HD1  ILE  21          1HD1      ILE  21   2.775  -4.800  -5.535
  157   2HD1  ILE  21          2HD1      ILE  21   1.073  -4.465  -5.216
  158   3HD1  ILE  21          3HD1      ILE  21   1.580  -4.998  -6.818
  159    H    LYS  22           H        LYS  22   1.387  -0.225  -3.236
  160    HA   LYS  22           HA       LYS  22   3.373  -1.840  -1.866
  161   1HB   LYS  22          1HB       LYS  22   5.206  -0.238  -2.457
  162   2HB   LYS  22          2HB       LYS  22   4.645  -1.225  -3.801
  163   1HG   LYS  22          1HG       LYS  22   3.226   0.693  -4.525
  164   2HG   LYS  22          2HG       LYS  22   3.998   1.665  -3.269
  165   1HD   LYS  22          1HD       LYS  22   5.216   2.149  -5.210
  166   2HD   LYS  22          2HD       LYS  22   6.213   0.971  -4.351
  167   1HE   LYS  22          1HE       LYS  22   6.265   0.070  -6.449
  168   2HE   LYS  22          2HE       LYS  22   4.834  -0.739  -5.813
  169   1HZ   LYS  22          1HZ       LYS  22   4.643   1.806  -7.306
  170   2HZ   LYS  22          2HZ       LYS  22   3.425   0.672  -6.999
  171   3HZ   LYS  22          3HZ       LYS  22   4.658   0.312  -8.100
  172    H    CYS  23           H        CYS  23   4.778  -0.162  -0.469
  173    HA   CYS  23           HA       CYS  23   2.895   1.063   1.293
  174   1HB   CYS  23          1HB       CYS  23   5.266  -0.024   1.750
  175   2HB   CYS  23          2HB       CYS  23   5.822   1.627   1.496
  176    H    VAL  24           H        VAL  24   2.961   3.303   1.994
  177    HA   VAL  24           HA       VAL  24   3.535   5.112  -0.256
  178    HB   VAL  24           HB       VAL  24   1.151   4.873   0.686
  179   1HG1  VAL  24          1HG1      VAL  24   2.160   5.151   3.081
  180   2HG1  VAL  24          2HG1      VAL  24   2.013   6.873   2.726
  181   3HG1  VAL  24          3HG1      VAL  24   0.583   5.840   2.695
  182   1HG2  VAL  24          1HG2      VAL  24   2.579   7.035  -0.416
  183   2HG2  VAL  24          2HG2      VAL  24   0.841   6.743  -0.474
  184   3HG2  VAL  24          2HG3      VAL  24   1.529   7.706   0.833
  185    H    ALA  25           H        ALA  25   5.305   4.141   2.044
  186    HA   ALA  25           HA       ALA  25   6.280   6.811   2.776
  187   1HB   ALA  25          1HB       ALA  25   5.499   4.617   4.618
  188   2HB   ALA  25          2HB       ALA  25   6.918   5.580   5.031
  189   3HB   ALA  25          3HB       ALA  25   5.353   6.364   4.810
  190    H    CYS  26           H        CYS  26   6.944   3.353   2.502
  191    HA   CYS  26           HA       CYS  26   9.795   4.001   2.129
  192   1HB   CYS  26          1HB       CYS  26  10.396   1.911   3.070
  193   2HB   CYS  26          2HB       CYS  26   9.170   2.577   4.144
  194    H    GLU  27           H        GLU  27   6.987   2.869   0.655
  195    HA   GLU  27           HA       GLU  27   6.569   2.159  -1.472
  196   1HB   GLU  27          1HB       GLU  27   9.521   2.153  -2.040
  197   2HB   GLU  27          2HB       GLU  27   8.191   2.402  -3.162
  198   1HG   GLU  27          1HG       GLU  27   7.946   4.592  -2.611
  199   2HG   GLU  27          2HG       GLU  27   8.511   4.355  -0.957
  200    H    THR  28           H        THR  28   6.939   0.335   0.673
  201    HA   THR  28           HA       THR  28   8.513  -1.894  -0.181
  202    HB   THR  28           HB       THR  28   6.829  -1.246   2.113
  203    HG1  THR  28           1HG      THR  28   8.782  -3.268   2.068
  204   1HG2  THR  28          1HG2      THR  28   6.423  -3.671   2.670
  205   2HG2  THR  28          2HG2      THR  28   6.772  -4.040   0.981
  206   3HG2  THR  28          3HG2      THR  28   5.400  -3.011   1.394
  207    HA   PRO  29           HA       PRO  29   5.717  -3.818  -2.983
  208   1HB   PRO  29          1HB       PRO  29   6.558  -6.389  -2.754
  209   2HB   PRO  29          2HB       PRO  29   7.485  -5.147  -3.604
  210   1HG   PRO  29          1HG       PRO  29   7.836  -6.204  -0.826
  211   2HG   PRO  29          2HG       PRO  29   9.068  -5.842  -2.049
  212   1HD   PRO  29          1HD       PRO  29   8.508  -4.160  -0.002
  213   2HD   PRO  29          2HD       PRO  29   9.033  -3.582  -1.597
  214    H    LYS  30           H        LYS  30   3.641  -3.818  -2.298
  215    HA   LYS  30           HA       LYS  30   2.527  -4.688   0.018
  216   1HB   LYS  30          1HB       LYS  30   1.174  -3.555  -1.599
  217   2HB   LYS  30          2HB       LYS  30   1.406  -4.838  -2.780
  218   1HG   LYS  30          1HG       LYS  30   0.247  -6.325  -0.983
  219   2HG   LYS  30          2HG       LYS  30  -0.340  -4.779  -0.363
  220   1HD   LYS  30          1HD       LYS  30  -0.774  -4.609  -3.092
  221   2HD   LYS  30          2HD       LYS  30  -1.175  -6.284  -2.704
  222   1HE   LYS  30          1HE       LYS  30  -2.811  -5.631  -1.135
  223   2HE   LYS  30          2HE       LYS  30  -2.232  -3.966  -1.108
  224   1HZ   LYS  30          1HZ       LYS  30  -3.603  -3.466  -2.755
  225   2HZ   LYS  30          2HZ       LYS  30  -4.243  -5.029  -2.691
  226   3HZ   LYS  30          3HZ       LYS  30  -2.960  -4.684  -3.738
  227    HA   PRO  31           HA       PRO  31   3.053  -9.053   0.253
  228   1HB   PRO  31          1HB       PRO  31   1.032  -9.632   1.970
  229   2HB   PRO  31          2HB       PRO  31   2.529  -8.843   2.480
  230   1HG   PRO  31          1HG       PRO  31  -0.140  -7.630   1.872
  231   2HG   PRO  31          2HG       PRO  31   0.975  -7.272   3.205
  232   1HD   PRO  31          1HD       PRO  31   0.794  -5.715   0.997
  233   2HD   PRO  31          2HD       PRO  31   2.313  -5.931   1.890
  Start of MODEL   20
    1   1H    GLY   0          1H        GLY   0 -23.286   6.727   4.428
    2   1HA   GLY   0          1HA       GLY   0 -24.404   4.215   4.862
    3   2HA   GLY   0          2HA       GLY   0 -23.268   4.039   3.533
    4    H    HIS   1           H        HIS   1 -21.147   3.832   3.973
    5    HA   HIS   1           HA       HIS   1 -19.902   4.850   6.312
    6   1HB   HIS   1          1HB       HIS   1 -21.294   2.726   7.024
    7   2HB   HIS   1          2HB       HIS   1 -19.930   1.859   6.326
    8    HD1  HIS   1           HD1      HIS   1 -20.865   4.071   9.195
    9    HD2  HIS   1           HD2      HIS   1 -17.555   1.987   7.794
   10    HE1  HIS   1           HE1      HIS   1 -19.205   4.097  11.083
   11    H    MET   2           H        MET   2 -17.642   4.561   6.302
   12    HA   MET   2           HA       MET   2 -16.573   3.966   3.678
   13   1HB   MET   2          1HB       MET   2 -15.915   5.936   5.222
   14   2HB   MET   2          2HB       MET   2 -14.937   4.751   6.075
   15   1HG   MET   2          1HG       MET   2 -13.682   4.288   4.061
   16   2HG   MET   2          2HG       MET   2 -14.706   5.390   3.144
   17   1HE   MET   2          1HE       MET   2 -11.187   7.083   3.328
   18   2HE   MET   2          2HE       MET   2 -11.111   5.475   4.048
   19   3HE   MET   2          3HE       MET   2 -12.068   5.745   2.591
   20    H    VAL   3           H        VAL   3 -14.629   2.628   3.421
   21    HA   VAL   3           HA       VAL   3 -14.890   0.166   4.975
   22    HB   VAL   3           HB       VAL   3 -14.802   0.341   2.363
   23   1HG1  VAL   3          1HG1      VAL   3 -12.711   0.349   1.344
   24   2HG1  VAL   3          2HG1      VAL   3 -12.561   1.599   2.582
   25   3HG1  VAL   3          3HG1      VAL   3 -11.866   0.000   2.852
   26   1HG2  VAL   3          1HG2      VAL   3 -12.994  -1.779   3.391
   27   2HG2  VAL   3          2HG2      VAL   3 -14.625  -1.693   4.060
   28   3HG2  VAL   3          3HG2      VAL   3 -14.394  -1.903   2.324
   29    H    ILE   4           H        ILE   4 -13.124  -0.871   5.943
   30    HA   ILE   4           HA       ILE   4 -10.655   0.695   6.201
   31    HB   ILE   4           HB       ILE   4 -12.092  -0.560   8.543
   32   1HG1  ILE   4          1HG1      ILE   4 -13.159   1.525   7.600
   33   2HG1  ILE   4          2HG1      ILE   4 -12.635   1.651   9.276
   34   1HG2  ILE   4          1HG2      ILE   4 -10.374   0.479   9.901
   35   2HG2  ILE   4          2HG2      ILE   4  -9.640  -0.586   8.705
   36   3HG2  ILE   4          3HG2      ILE   4  -9.617   1.160   8.462
   37   1HD1  ILE   4          1HD1      ILE   4 -12.153   3.562   7.559
   38   2HD1  ILE   4          2HD1      ILE   4 -10.960   3.123   8.782
   39   3HD1  ILE   4          3HD1      ILE   4 -10.783   2.538   7.127
   40    H    GLY   5           H        GLY   5  -9.345  -0.679   5.101
   41   1HA   GLY   5          1HA       GLY   5  -8.940  -3.324   6.315
   42   2HA   GLY   5          2HA       GLY   5  -9.203  -3.221   4.580
   43    H    THR   6           H        THR   6  -7.599  -0.482   5.509
   44    HA   THR   6           HA       THR   6  -5.340  -0.777   4.072
   45    HB   THR   6           HB       THR   6  -4.208   0.822   5.568
   46    HG1  THR   6           1HG      THR   6  -5.406   1.503   7.457
   47   1HG2  THR   6          1HG2      THR   6  -5.424   2.363   4.515
   48   2HG2  THR   6          2HG2      THR   6  -6.700   2.175   5.718
   49   3HG2  THR   6          3HG2      THR   6  -6.711   1.185   4.259
   50    H    TRP   7           H        TRP   7  -3.229  -1.505   4.374
   51    HA   TRP   7           HA       TRP   7  -2.942  -3.540   6.477
   52   1HB   TRP   7          1HB       TRP   7  -1.028  -4.329   4.923
   53   2HB   TRP   7          2HB       TRP   7  -2.690  -4.635   4.428
   54    HD1  TRP   7           1HD      TRP   7  -3.699  -2.776   2.583
   55    HE1  TRP   7           1HE      TRP   7  -2.474  -1.677   0.604
   56    HE3  TRP   7           3HE      TRP   7   1.126  -3.548   4.085
   57    HZ2  TRP   7           2HZ      TRP   7   0.185  -1.203  -0.214
   58    HZ3  TRP   7           3HZ      TRP   7   2.952  -2.742   2.646
   59    HH2  TRP   7           2HH      TRP   7   2.490  -1.594   0.542
   60    H    ASP   8           H        ASP   8  -1.125  -3.606   7.771
   61    HA   ASP   8           HA       ASP   8   0.341  -1.094   7.960
   62   1HB   ASP   8          1HB       ASP   8   0.529  -3.450   9.836
   63   2HB   ASP   8          2HB       ASP   8   0.964  -1.774  10.157
   64    H    CYS   9           H        CYS   9   2.573  -0.924   7.888
   65    HA   CYS   9           HA       CYS   9   3.894  -2.838   6.204
   66   1HB   CYS   9          1HB       CYS   9   4.213  -0.295   6.195
   67   2HB   CYS   9          2HB       CYS   9   5.217  -0.529   7.622
   68    H    ASP  10           H        ASP  10   6.094  -3.667   6.760
   69    HA   ASP  10           HA       ASP  10   6.192  -4.499   9.586
   70   1HB   ASP  10          1HB       ASP  10   5.637  -6.377   8.133
   71   2HB   ASP  10          2HB       ASP  10   7.046  -6.044   7.129
   72    H    THR  11           H        THR  11   7.658  -2.587   7.364
   73    HA   THR  11           HA       THR  11  10.318  -2.951   8.581
   74    HB   THR  11           HB       THR  11   9.505  -2.365   5.787
   75    HG1  THR  11           1HG      THR  11  11.277  -3.701   5.400
   76   1HG2  THR  11          1HG2      THR  11  11.742  -0.972   7.208
   77   2HG2  THR  11          2HG2      THR  11  10.606  -0.337   6.018
   78   3HG2  THR  11          3HG3      THR  11  11.911  -1.406   5.508
   79    H    CYS  12           H        CYS  12   8.381  -0.428   6.960
   80    HA   CYS  12           HA       CYS  12   9.623   1.580   8.684
   81   1HB   CYS  12          1HB       CYS  12   9.118   3.151   7.082
   82   2HB   CYS  12          2HB       CYS  12   9.247   1.718   6.069
   83    H    LEU  13           H        LEU  13   7.188  -0.436   9.075
   84    HA   LEU  13           HA       LEU  13   5.120  -0.414  10.072
   85   1HB   LEU  13          1HB       LEU  13   6.651   1.595  11.715
   86   2HB   LEU  13          2HB       LEU  13   5.120   0.872  12.204
   87    HG   LEU  13           HG       LEU  13   7.568  -0.039  12.937
   88   1HD1  LEU  13          1HD1      LEU  13   4.836  -0.943  13.015
   89   2HD1  LEU  13          2HD1      LEU  13   6.115  -1.126  14.215
   90   3HD1  LEU  13          3HD1      LEU  13   5.946  -2.309  12.918
   91   1HD2  LEU  13          1HD2      LEU  13   6.700  -1.646  10.538
   92   2HD2  LEU  13          2HD2      LEU  13   7.893  -2.179  11.722
   93   3HD2  LEU  13          3HD2      LEU  13   8.209  -0.753  10.734
   94    H    VAL  14           H        VAL  14   3.799   0.433   8.455
   95    HA   VAL  14           HA       VAL  14   2.567   2.945   9.102
   96    HB   VAL  14           HB       VAL  14   4.676   3.139   7.340
   97   1HG1  VAL  14          1HG1      VAL  14   2.166   3.269   5.685
   98   2HG1  VAL  14          2HG1      VAL  14   3.835   3.448   5.142
   99   3HG1  VAL  14          3HG1      VAL  14   3.249   1.879   5.693
  100   1HG2  VAL  14          1HG2      VAL  14   2.505   4.783   8.317
  101   2HG2  VAL  14          2HG2      VAL  14   4.184   5.214   7.990
  102   3HG2  VAL  14          3HG2      VAL  14   2.995   5.252   6.689
  103    H    GLN  15           H        GLN  15   0.493   3.077   8.344
  104    HA   GLN  15           HA       GLN  15  -0.570   0.665   7.125
  105   1HB   GLN  15          1HB       GLN  15  -1.743   3.028   8.533
  106   2HB   GLN  15          2HB       GLN  15  -2.773   2.061   7.485
  107   1HG   GLN  15          1HG       GLN  15  -2.198   0.062   8.788
  108   2HG   GLN  15          2HG       GLN  15  -1.213   1.060   9.856
  109   1HE2  GLN  15          2HE2      GLN  15  -2.609   3.169  10.460
  110   2HE2  GLN  15          1HE2      GLN  15  -4.134   2.779  11.169
  111    H    ASN  16           H        ASN  16  -1.613   0.550   5.167
  112    HA   ASN  16           HA       ASN  16  -1.758   2.970   3.528
  113   1HB   ASN  16          1HB       ASN  16  -0.714   0.497   2.220
  114   2HB   ASN  16          2HB       ASN  16  -0.437   2.187   1.808
  115   1HD2  ASN  16          2HD2      ASN  16   0.090   0.104   4.637
  116   2HD2  ASN  16          1HD2      ASN  16   1.732   0.580   4.891
  117    H    LYS  17           H        LYS  17  -3.144   2.750   1.658
  118    HA   LYS  17           HA       LYS  17  -5.536   1.370   2.227
  119   1HB   LYS  17          1HB       LYS  17  -6.384   2.290   0.230
  120   2HB   LYS  17          2HB       LYS  17  -5.231   3.479   0.823
  121   1HG   LYS  17          1HG       LYS  17  -3.660   2.951  -0.817
  122   2HG   LYS  17          2HG       LYS  17  -4.434   1.409  -1.192
  123   1HD   LYS  17          1HD       LYS  17  -5.023   2.802  -2.979
  124   2HD   LYS  17          2HD       LYS  17  -6.445   2.812  -1.933
  125   1HE   LYS  17          1HE       LYS  17  -5.662   5.054  -2.858
  126   2HE   LYS  17          2HE       LYS  17  -5.971   4.962  -1.124
  127   1HZ   LYS  17          1HZ       LYS  17  -3.255   4.475  -2.139
  128   2HZ   LYS  17          2HZ       LYS  17  -3.745   5.064  -0.632
  129   3HZ   LYS  17          3HZ       LYS  17  -3.813   6.066  -1.992
  130    HA   PRO  18           HA       PRO  18  -4.745  -2.642   0.594
  131   1HB   PRO  18          1HB       PRO  18  -7.303  -3.423   0.128
  132   2HB   PRO  18          2HB       PRO  18  -6.612  -3.316   1.751
  133   1HG   PRO  18          1HG       PRO  18  -8.369  -1.369   0.309
  134   2HG   PRO  18          2HG       PRO  18  -8.445  -1.905   1.997
  135   1HD   PRO  18          1HD       PRO  18  -7.341   0.457   1.267
  136   2HD   PRO  18          2HD       PRO  18  -6.756  -0.481   2.656
  137    H    GLU  19           H        GLU  19  -6.127  -0.107  -1.204
  138    HA   GLU  19           HA       GLU  19  -6.436  -1.645  -3.647
  139   1HB   GLU  19          1HB       GLU  19  -6.516   1.331  -3.656
  140   2HB   GLU  19          2HB       GLU  19  -7.519   0.178  -4.527
  141   1HG   GLU  19          1HG       GLU  19  -8.396  -0.384  -2.116
  142   2HG   GLU  19          2HG       GLU  19  -7.807   1.240  -1.767
  143    H    ALA  20           H        ALA  20  -3.903  -0.251  -2.012
  144    HA   ALA  20           HA       ALA  20  -2.434   0.669  -4.336
  145   1HB   ALA  20          1HB       ALA  20  -1.657   0.456  -1.433
  146   2HB   ALA  20          2HB       ALA  20  -0.624   1.118  -2.700
  147   3HB   ALA  20          3HB       ALA  20  -2.147   1.911  -2.299
  148    H    ILE  21           H        ILE  21  -0.137  -0.133  -4.602
  149    HA   ILE  21           HA       ILE  21  -0.155  -3.072  -4.485
  150    HB   ILE  21           HB       ILE  21   1.409  -1.233  -6.301
  151   1HG1  ILE  21          1HG1      ILE  21  -0.860  -3.139  -6.914
  152   2HG1  ILE  21          2HG1      ILE  21  -1.017  -1.390  -6.797
  153   1HG2  ILE  21          1HG2      ILE  21   2.830  -2.987  -6.303
  154   2HG2  ILE  21          2HG2      ILE  21   1.609  -4.116  -5.717
  155   3HG2  ILE  21          3HG2      ILE  21   1.647  -3.665  -7.422
  156   1HD1  ILE  21          1HD1      ILE  21   0.112  -3.056  -8.948
  157   2HD1  ILE  21          2HD1      ILE  21  -0.785  -1.540  -9.031
  158   3HD1  ILE  21          3HD1      ILE  21   0.930  -1.529  -8.619
  159    H    LYS  22           H        LYS  22   1.530  -0.236  -3.458
  160    HA   LYS  22           HA       LYS  22   3.372  -1.908  -1.924
  161   1HB   LYS  22          1HB       LYS  22   5.262  -0.369  -2.502
  162   2HB   LYS  22          2HB       LYS  22   4.704  -1.366  -3.839
  163   1HG   LYS  22          1HG       LYS  22   3.315   0.612  -4.569
  164   2HG   LYS  22          2HG       LYS  22   4.209   1.561  -3.380
  165   1HD   LYS  22          1HD       LYS  22   6.238   1.282  -4.515
  166   2HD   LYS  22          2HD       LYS  22   5.627  -0.083  -5.454
  167   1HE   LYS  22          1HE       LYS  22   4.478   2.681  -5.721
  168   2HE   LYS  22          2HE       LYS  22   5.881   2.160  -6.653
  169   1HZ   LYS  22          1HZ       LYS  22   3.091   1.402  -6.921
  170   2HZ   LYS  22          2HZ       LYS  22   4.207   0.145  -7.109
  171   3HZ   LYS  22          3HZ       LYS  22   4.303   1.514  -8.098
  172    H    CYS  23           H        CYS  23   4.775  -0.282  -0.495
  173    HA   CYS  23           HA       CYS  23   2.888   1.053   1.178
  174   1HB   CYS  23          1HB       CYS  23   5.197  -0.128   1.729
  175   2HB   CYS  23          2HB       CYS  23   5.825   1.498   1.483
  176    H    VAL  24           H        VAL  24   2.784   3.264   1.702
  177    HA   VAL  24           HA       VAL  24   3.651   5.023  -0.483
  178    HB   VAL  24           HB       VAL  24   1.225   4.957   0.039
  179   1HG1  VAL  24          1HG1      VAL  24   0.810   4.706   2.245
  180   2HG1  VAL  24          2HG1      VAL  24   2.252   5.601   2.730
  181   3HG1  VAL  24          3HG1      VAL  24   0.802   6.470   2.221
  182   1HG2  VAL  24          1HG2      VAL  24   1.028   7.096  -0.601
  183   2HG2  VAL  24          2HG2      VAL  24   1.869   7.699   0.828
  184   3HG2  VAL  24          2HG3      VAL  24   2.792   7.117  -0.558
  185    H    ALA  25           H        ALA  25   5.112   4.062   2.076
  186    HA   ALA  25           HA       ALA  25   6.024   6.745   2.878
  187   1HB   ALA  25          1HB       ALA  25   6.034   6.233   5.109
  188   2HB   ALA  25          2HB       ALA  25   4.636   5.296   4.580
  189   3HB   ALA  25          3HB       ALA  25   6.190   4.500   4.824
  190    H    CYS  26           H        CYS  26   6.840   3.335   2.459
  191    HA   CYS  26           HA       CYS  26   9.676   4.114   2.250
  192   1HB   CYS  26          1HB       CYS  26  10.323   1.992   3.122
  193   2HB   CYS  26          2HB       CYS  26   9.078   2.619   4.198
  194    H    GLU  27           H        GLU  27   6.974   2.784   0.679
  195    HA   GLU  27           HA       GLU  27   6.675   2.153  -1.497
  196   1HB   GLU  27          1HB       GLU  27   9.623   2.251  -2.022
  197   2HB   GLU  27          2HB       GLU  27   8.289   2.601  -3.113
  198   1HG   GLU  27          1HG       GLU  27   7.854   4.577  -1.452
  199   2HG   GLU  27          2HG       GLU  27   9.550   4.327  -1.045
  200    H    THR  28           H        THR  28   6.808   0.245   0.451
  201    HA   THR  28           HA       THR  28   8.565  -1.885  -0.469
  202    HB   THR  28           HB       THR  28   7.045  -1.340   1.976
  203    HG1  THR  28           1HG      THR  28   9.059  -3.244   1.911
  204   1HG2  THR  28          1HG2      THR  28   7.014  -4.078   0.736
  205   2HG2  THR  28          2HG2      THR  28   5.682  -3.180   1.464
  206   3HG2  THR  28          3HG2      THR  28   6.953  -3.854   2.484
  207    HA   PRO  29           HA       PRO  29   5.561  -3.822  -3.042
  208   1HB   PRO  29          1HB       PRO  29   6.522  -6.359  -2.996
  209   2HB   PRO  29          2HB       PRO  29   7.303  -5.053  -3.894
  210   1HG   PRO  29          1HG       PRO  29   7.992  -6.179  -1.208
  211   2HG   PRO  29          2HG       PRO  29   9.070  -5.726  -2.540
  212   1HD   PRO  29          1HD       PRO  29   8.668  -4.134  -0.388
  213   2HD   PRO  29          2HD       PRO  29   8.995  -3.485  -2.008
  214    H    LYS  30           H        LYS  30   3.542  -4.126  -2.340
  215    HA   LYS  30           HA       LYS  30   2.791  -5.161   0.140
  216   1HB   LYS  30          1HB       LYS  30   1.246  -3.812  -1.096
  217   2HB   LYS  30          2HB       LYS  30   1.266  -4.929  -2.455
  218   1HG   LYS  30          1HG       LYS  30   0.386  -6.613  -0.617
  219   2HG   LYS  30          2HG       LYS  30  -0.162  -5.113   0.137
  220   1HD   LYS  30          1HD       LYS  30  -0.716  -5.413  -2.751
  221   2HD   LYS  30          2HD       LYS  30  -1.610  -6.480  -1.667
  222   1HE   LYS  30          1HE       LYS  30  -2.340  -4.512  -0.377
  223   2HE   LYS  30          2HE       LYS  30  -1.489  -3.469  -1.516
  224   1HZ   LYS  30          1HZ       LYS  30  -3.518  -3.414  -2.469
  225   2HZ   LYS  30          2HZ       LYS  30  -4.000  -4.905  -1.832
  226   3HZ   LYS  30          3HZ       LYS  30  -2.996  -4.852  -3.192
  227    HA   PRO  31           HA       PRO  31   3.254  -9.517  -0.306
  228   1HB   PRO  31          1HB       PRO  31   1.493 -10.328   1.596
  229   2HB   PRO  31          2HB       PRO  31   3.066  -9.618   1.982
  230   1HG   PRO  31          1HG       PRO  31   0.363  -8.330   1.949
  231   2HG   PRO  31          2HG       PRO  31   1.669  -8.161   3.137
  232   1HD   PRO  31          1HD       PRO  31   1.200  -6.312   1.214
  233   2HD   PRO  31          2HD       PRO  31   2.828  -6.652   1.835