*HEADER    TRANSCRIPTION                           30-MAR-07   2YQL              
*TITLE     SOLUTION STRUCTURE OF THE PHD DOMAIN IN PHD FINGER PROTEIN            
*TITLE    2 21A                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PHD FINGER PROTEIN 21A;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: PHD DOMAIN;                                                
*COMPND   5 SYNONYM: BRAF35-HDAC COMPLEX PROTEIN BHC80, BHC80A;                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: PHF21A;                                                        
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P061030-12;                               
*SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
*KEYWDS    NMR, PHD DOMAIN, PHD FINGER PROTEIN 21A, STRUCTURAL                   
*KEYWDS   2 GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL             
*KEYWDS   3 AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL                            
*KEYWDS   4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, TRANSCRIPTION                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.HE, Y.MUTO, M.INOUE, T.KIGAWA, M.SHIROUZU, T.TERADA,                
*AUTHOR   2 S.YOKOYAMA, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE          
*AUTHOR   3 (RSGI)                                                               
*REVDAT   1   12-MAY-09 2YQL    0                                                

**************************************************************
During the CYANA calculations automatic implicit swapping of restraints 
involving diastereotopic substitutents was applied for prochrial groups 
without stereospecific assignment. Diastereotopic substitents were 
swapped individually in each conformer to calculate the minimal target 
function and restraint violations.
The optimal swapping for a given prochiral group may differ among 
the 20 conformers that represent the solution structure. The swapping 
is therefore performed implicitly in the program and is not reflected 
in the distance restraint file deposited in the PDB.
**************************************************************

12 CYSS SG   201 ZN   ZN   2.19  5.00E+00
15 CYSS SG   201 ZN   ZN   2.19  5.00E+00
32 HIST ND1  201 ZN   ZN   1.90  5.00E+00
35 CYSS SG   201 ZN   ZN   2.19  5.00E+00

12 CYSS CB   201 ZN   ZN   3.25  5.00E+00
15 CYSS CB   201 ZN   ZN   3.25  5.00E+00
35 CYSS CB   201 ZN   ZN   3.25  5.00E+00

12 CYSS SG    15 CYSS SG   3.56  5.00E+00
12 CYSS SG    32 HIST ND1  3.32  5.00E+00
12 CYSS SG    35 CYSS SG   3.56  5.00E+00
15 CYSS SG    32 HIST ND1  3.32  5.00E+00
15 CYSS SG    35 CYSS SG   3.56  5.00E+00
32 HIST ND1   35 CYSS SG   3.32  5.00E+00


24 CYSS SG   401 ZN   ZN   2.19  5.00E+00
27 CYSS SG   401 ZN   ZN   2.19  5.00E+00
50 CYSS SG   401 ZN   ZN   2.19  5.00E+00
53 CYSS SG   401 ZN   ZN   2.19  5.00E+00

24 CYSS CB   401 ZN   ZN   3.25  5.00E+00
27 CYSS CB   401 ZN   ZN   3.25  5.00E+00
50 CYSS CB   401 ZN   ZN   3.25  5.00E+00
53 CYSS CB   401 ZN   ZN   3.25  5.00E+00

24 CYSS SG    27 CYSS SG   3.56  5.00E+00
24 CYSS SG    50 CYSS SG   3.56  5.00E+00
24 CYSS SG    53 CYSS SG   3.56  5.00E+00
27 CYSS SG    50 CYSS SG   3.56  5.00E+00
27 CYSS SG    53 CYSS SG   3.56  5.00E+00
50 CYSS SG    53 CYSS SG   3.56  5.00E+00
12 CYSS SG   201 ZN   ZN   2.39  5.00E+00
15 CYSS SG   201 ZN   ZN   2.39  5.00E+00
32 HIST ND1  201 ZN   ZN   2.10  5.00E+00
35 CYSS SG   201 ZN   ZN   2.39  5.00E+00

12 CYSS CB   201 ZN   ZN   3.51  5.00E+00
15 CYSS CB   201 ZN   ZN   3.51  5.00E+00
35 CYSS CB   201 ZN   ZN   3.51  5.00E+00

12 CYSS SG    15 CYSS SG   3.96  5.00E+00
12 CYSS SG    32 HIST ND1  3.72  5.00E+00
12 CYSS SG    35 CYSS SG   3.96  5.00E+00
15 CYSS SG    32 HIST ND1  3.72  5.00E+00
15 CYSS SG    35 CYSS SG   3.96  5.00E+00
32 HIST ND1   35 CYSS SG   3.72  5.00E+00


24 CYSS SG   401 ZN   ZN   2.39  5.00E+00
27 CYSS SG   401 ZN   ZN   2.39  5.00E+00
50 CYSS SG   401 ZN   ZN   2.39  5.00E+00
53 CYSS SG   401 ZN   ZN   2.39  5.00E+00

24 CYSS CB   401 ZN   ZN   3.51  5.00E+00
27 CYSS CB   401 ZN   ZN   3.51  5.00E+00
50 CYSS CB   401 ZN   ZN   3.51  5.00E+00
53 CYSS CB   401 ZN   ZN   3.51  5.00E+00

24 CYSS SG    27 CYSS SG   3.96  5.00E+00
24 CYSS SG    50 CYSS SG   3.96  5.00E+00
24 CYSS SG    53 CYSS SG   3.96  5.00E+00
27 CYSS SG    50 CYSS SG   3.96  5.00E+00
27 CYSS SG    53 CYSS SG   3.96  5.00E+00
50 CYSS SG    53 CYSS SG   3.96  5.00E+00
 50 CYSS H      50 CYSS HB3     3.47            #peak 10000 #SUP  0.97  #QF  0.97
 48 TRP  HA     49 ILE  H       3.05            #peak     5 #SUP  0.74  #QF  0.74
 12 CYSS HA     13 SER  H       3.14            #peak     7 #SUP  0.96  #QF  0.96
 21 LEU  HA     22 LEU  H       3.21            #peak    10 #SUP  0.57  #QF  0.57
 43 ILE  H      43 ILE  HG12    3.94            #peak    14 #SUP  0.90  #QF  0.90
 14 VAL  H      15 CYSS H       3.55            #peak    16 #SUP  0.99  #QF  0.99
 32 HIST HA     33 LEU  H       3.46            #peak    19 #SUP  0.96  #QF  0.96
 33 LEU  H      33 LEU  HG      3.44            #peak    20 #SUP  0.94  #QF  0.94
 33 LEU  H      33 LEU  HB2     3.52            #peak    21 #SUP  0.99  #QF  0.99
 52 ARG  H      53 CYSS H       3.66            #peak    22 #SUP  0.81  #QF  0.81
 40 LEU  H      40 LEU  HB2     3.40            #peak    28 #SUP  0.96  #QF  0.86
 44 PRO  HA     45 LYS  H       3.03            #peak    29 #SUP  0.58  #QF  0.58
 44 PRO  HB3    45 LYS  H       4.67            #peak    30 #SUP  0.85  #QF  0.85
 47 MET  H      47 MET  HB2     4.20            #peak    32 #SUP  0.76  #QF  0.76
 35 CYSS H      36 LEU  H       3.41            #peak    34 #SUP  0.96  #QF  0.96
 36 LEU  H      36 LEU  HB3     3.93            #peak    35 #SUP  0.98  #QF  0.97
 40 LEU  HA     41 LYS  H       3.26            #peak    37 #SUP  0.89  #QF  0.89
 53 CYSS H      54 GLN  H       3.57            #peak    41 #SUP  0.98  #QF  0.98
 54 GLN  H      54 GLN  HB2     3.45            #peak    42 #SUP  0.82  #QF  0.82
 52 ARG  H      52 ARG  HB2     3.73            #peak    43 #SUP  0.98  #QF  0.98
 17 LYS  HA     18 SER  H       3.31            #peak    49 #SUP  0.91  #QF  0.91
 41 LYS  H      42 THR  H       3.44            #peak    56 #SUP  0.97  #QF  0.97
  9 GLU  H       9 GLU  HB2     3.96            #peak    57 #SUP  0.97  #QF  0.91
  8 HIST HA      9 GLU  H       3.50            #peak    61 #SUP  0.90  #QF  0.90
 10 ASP  H      10 ASP  HB2     4.02            #peak    62 #SUP  0.98  #QF  0.98
 10 ASP  H      11 PHE  H       4.41            #peak    63 #SUP  0.97  #QF  0.97
 12 CYSS H      21 LEU  QD1     4.34            #peak    65 #SUP  0.81  #QF  0.81
 12 CYSS H      32 HIST HE1     4.53            #peak    68 #SUP  0.92  #QF  0.92
 13 SER  H      21 LEU  QD1     4.61            #peak    69 #SUP  0.57  #QF  0.57
 13 SER  H      31 TYR  HA      4.52            #peak    71 #SUP  0.85  #QF  0.85
 12 CYSS HB3    14 VAL  H       4.70            #peak    75 #SUP  0.88  #QF  0.88
 13 SER  H      14 VAL  H       4.01            #peak    76 #SUP  0.94  #QF  0.94
 16 ARG  H      16 ARG  HG2     4.48            #peak    81 #SUP  0.71  #QF  0.71
 16 ARG  H      17 LYS  H       3.80            #peak    83 #SUP  0.97  #QF  0.97
 18 SER  H      18 SER  HB3     3.99            #peak    90 #SUP  0.84  #QF  0.84
 18 SER  H      18 SER  HB2     3.99            #peak    91 #SUP  0.93  #QF  0.93
 21 LEU  H      21 LEU  HG      4.13            #peak    99 #SUP  0.91  #QF  0.91
 22 LEU  H      31 TYR  H       3.94            #peak   101 #SUP  0.94  #QF  0.94
 22 LEU  HB2    23 MET  H       4.13            #peak   104 #SUP  0.98  #QF  0.98
 24 CYSS HA     25 ASP  H       3.36            #peak   110 #SUP  0.79  #QF  0.79
 25 ASP  H      26 THR  H       4.28            #peak   111 #SUP  0.89  #QF  0.89
 25 ASP  HB2    26 THR  H       4.94            #peak   112 #SUP  0.91  #QF  0.70
 25 ASP  HB3    26 THR  H       5.20            #peak   112 #SUP  0.91  #QF  0.70
 26 THR  HB     27 CYSS H       4.21            #peak   116 #SUP  0.94  #QF  0.94
 26 THR  H      27 CYSS H       3.93            #peak   118 #SUP  0.93  #QF  0.93
 27 CYSS HB2    28 SER  H       3.95            #peak   119 #SUP  0.76  #QF  0.76
 27 CYSS H      28 SER  H       4.48            #peak   124 #SUP  0.94  #QF  0.94
 28 SER  H      29 ARG  H       4.44            #peak   125 #SUP  0.88  #QF  0.88
 29 ARG  H      29 ARG  HB2     4.09            #peak   126 #SUP  1.00  #QF  0.88
 29 ARG  HB3    30 VAL  H       4.20            #peak   128 #SUP  0.98  #QF  0.98
 21 LEU  HB3    31 TYR  H       4.12            #peak   129 #SUP  0.95  #QF  0.95
 12 CYSS HB2    32 HIST H       4.52            #peak   135 #SUP  0.80  #QF  0.80
 31 TYR  HB3    32 HIST H       3.72            #peak   136 #SUP  0.87  #QF  0.87
 12 CYSS HB3    32 HIST H       5.24            #peak   137 #SUP  0.97  #QF  0.85
 32 HIST H      32 HIST HB2     3.67            #peak   138 #SUP  0.88  #QF  0.88
 33 LEU  H      33 LEU  QD1     4.30            #peak   139 #SUP  0.90  #QF  0.90
 32 HIST HB2    33 LEU  H       3.97            #peak   140 #SUP  0.74  #QF  0.74
 32 HIST HB3    34 ASP  H       3.82            #peak   146 #SUP  0.97  #QF  0.97
 33 LEU  H      34 ASP  H       3.88            #peak   148 #SUP  0.62  #QF  0.62
 32 HIST HB2    35 CYSS H       3.71            #peak   150 #SUP  0.96  #QF  0.96
 34 ASP  H      35 CYSS H       3.76            #peak   152 #SUP  0.96  #QF  0.96
 40 LEU  HB3    41 LYS  H       3.90            #peak   164 #SUP  1.00  #QF  0.96
 41 LYS  H      41 LYS  HB3     3.73            #peak   165 #SUP  0.82  #QF  0.82
 33 LEU  QD1    42 THR  H       4.81            #peak   167 #SUP  0.70  #QF  0.70
 41 LYS  HB3    42 THR  H       3.74            #peak   170 #SUP  0.87  #QF  0.87
 42 THR  H      42 THR  HB      3.96            #peak   171 #SUP  0.85  #QF  0.85
 42 THR  QG2    43 ILE  H       4.08            #peak   173 #SUP  0.99  #QF  0.87
 42 THR  HB     43 ILE  H       3.65            #peak   175 #SUP  0.93  #QF  0.93
 45 LYS  H      45 LYS  HG2     5.10            #peak   176 #SUP  0.92  #QF  0.92
 45 LYS  H      46 GLY  H       4.70            #peak   179 #SUP  0.98  #QF  0.98
 49 ILE  H      49 ILE  HG13    4.14            #peak   186 #SUP  0.73  #QF  0.73
 49 ILE  HB     50 CYSS H       4.54            #peak   188 #SUP  0.98  #QF  0.98
 24 CYSS HB2    50 CYSS H       4.12            #peak   189 #SUP  0.86  #QF  0.86
 50 CYSS H      51 PRO  HD2     4.94            #peak   190 #SUP  0.49  #QF  0.49
 52 ARG  H      52 ARG  HG2     4.32            #peak   192 #SUP  0.97  #QF  0.97
 52 ARG  HB2    53 CYSS H       4.39            #peak   195 #SUP  0.94  #QF  0.94
 49 ILE  QG2    54 GLN  H       4.25            #peak   197 #SUP  0.88  #QF  0.88
 54 GLN  H      54 GLN  HG2     4.12            #peak   198 #SUP  0.86  #QF  0.86
 53 CYSS HB2    55 ASP  H       4.83            #peak   202 #SUP  0.24  #QF  0.24
 36 LEU  QD1    48 TRP  HE1     4.57            #peak   209 #SUP  0.99  #QF  0.91
 15 CYSS H      16 ARG  HA      5.42            #peak   211 #SUP  0.82  #QF  0.65
 12 CYSS HB3    15 CYSS H       4.37            #peak   212 #SUP  0.75  #QF  0.75
 16 ARG  H      16 ARG  HD2     5.50            #peak   216 #SUP  0.93  #QF  0.83
 16 ARG  H      16 ARG  HD3     5.50            #peak   216 #SUP  0.93  #QF  0.83
 21 LEU  HB3    22 LEU  H       4.06            #peak   218 #SUP  0.91  #QF  0.60
 24 CYSS HB3    27 CYSS H       4.77            #peak   222 #SUP  0.77  #QF  0.77
 41 LYS  H      44 PRO  HB3     5.50            #peak   231 #SUP  0.56  #QF  0.56
 49 ILE  HA     50 CYSS H       3.17            #peak   232 #SUP  0.59  #QF  0.59
 43 ILE  HB     43 ILE  QD1     3.43            #peak 10000 #SUP  0.98  #QF  0.98
 49 ILE  HA     49 ILE  QD1     3.97            #peak     5 #SUP  0.96  #QF  0.96
 49 ILE  QD1    53 CYSS HB3     5.08            #peak     6 #SUP  0.96  #QF  0.85
 21 LEU  H      21 LEU  HB2     3.59            #peak    11 #SUP  0.96  #QF  0.96
 21 LEU  HB2    21 LEU  QD1     3.34            #peak    14 #SUP  0.98  #QF  0.98
 31 TYR  H      31 TYR  HB2     3.75            #peak    26 #SUP  0.97  #QF  0.97
 36 LEU  HB3    36 LEU  QD2     3.86            #peak    35 #SUP  0.99  #QF  0.99
 36 LEU  H      36 LEU  HB2     3.93            #peak    36 #SUP  0.88  #QF  0.88
 22 LEU  H      22 LEU  HB3     3.50            #peak    41 #SUP  0.99  #QF  0.99
 22 LEU  HB2    22 LEU  QD1     3.91            #peak    46 #SUP  1.00
 22 LEU  H      22 LEU  HB2     3.80            #peak    47 #SUP  0.93  #QF  0.93
 22 LEU  HB2    22 LEU  QD2     3.70            #peak    50 #SUP  1.00
 36 LEU  QD1    40 LEU  HB2     3.57            #peak    52 #SUP  1.00  #QF  0.68
 37 ASP  H      37 ASP  HB2     3.86            #peak    57 #SUP  0.78  #QF  0.78
 37 ASP  H      37 ASP  HB3     3.86            #peak    58 #SUP  0.88  #QF  0.88
 25 ASP  HB2    48 TRP  H       4.26            #peak    63 #SUP  0.92  #QF  0.92
 25 ASP  H      25 ASP  HB2     3.34            #peak    64 #SUP  0.95  #QF  0.77
 25 ASP  HB3    26 THR  QG2     4.47            #peak    65 #SUP  0.75  #QF  0.75
 25 ASP  HB3    49 ILE  QD1     4.48            #peak    66 #SUP  0.84  #QF  0.84
 12 CYSS HB3    32 HIST HE1     3.96            #peak    67 #SUP  1.00
 10 ASP  H      10 ASP  HB3     4.02            #peak    78 #SUP  1.00
 11 PHE  HB3    12 CYSS H       3.98            #peak    80 #SUP  0.99  #QF  0.99
 11 PHE  HB2    16 ARG  HA      3.95            #peak    86 #SUP  0.96  #QF  0.96
 55 ASP  H      55 ASP  HB2     4.20            #peak    88 #SUP  0.87  #QF  0.87
 33 LEU  HB2    34 ASP  H       3.86            #peak    96 #SUP  0.97  #QF  0.97
 49 ILE  H      49 ILE  HB      3.48            #peak   103 #SUP  0.98  #QF  0.98
 49 ILE  HB     49 ILE  QD1     3.48            #peak   106 #SUP  1.00
 43 ILE  H      43 ILE  HB      3.30            #peak   110 #SUP  0.97  #QF  0.97
 31 TYR  H      31 TYR  QD      3.81            #peak   114 #SUP  0.96  #QF  0.96
 31 TYR  QD     36 LEU  QD2     3.82            #peak   121 #SUP  1.00
  9 GLU  HA     11 PHE  QD      5.01            #peak   126 #SUP  1.00  #QF  0.57
 30 VAL  HB     31 TYR  H       3.67            #peak   134 #SUP  0.91  #QF  0.91
 21 LEU  HB2    30 VAL  HB      3.88            #peak   136 #SUP  0.97  #QF  0.97
 21 LEU  HB3    30 VAL  HB      3.24            #peak   137 #SUP  0.98  #QF  0.79
 49 ILE  QG2    54 GLN  HG3     3.99            #peak   144 #SUP  1.00
 14 VAL  HB     15 CYSS H       3.40            #peak   156 #SUP  0.58  #QF  0.58
 13 SER  H      13 SER  HB3     3.97            #peak   167 #SUP  0.91  #QF  0.91
 13 SER  H      13 SER  HB2     3.56            #peak   170 #SUP  0.91  #QF  0.91
 39 PRO  HB3    40 LEU  H       4.17            #peak   174 #SUP  0.98  #QF  0.98
 15 CYSS H      15 CYSS HB3     3.73            #peak   194 #SUP  0.76  #QF  0.76
 24 CYSS H      24 CYSS HB3     3.97            #peak   202 #SUP  0.87  #QF  0.87
 12 CYSS H      12 CYSS HB3     3.35            #peak   205 #SUP  0.97  #QF  0.95
 12 CYSS HB3    17 LYS  H       3.60            #peak   205 #SUP  0.97  #QF  0.95
 12 CYSS HB3    21 LEU  QD2     4.01            #peak   208 #SUP  1.00
 12 CYSS HB3    16 ARG  H       3.85            #peak   209 #SUP  0.96  #QF  0.96
 24 CYSS HB2    50 CYSS HB3     3.45            #peak   212 #SUP  0.99  #QF  0.99
 23 MET  HG2    30 VAL  QG1     4.08            #peak   213 #SUP  1.00
 12 CYSS H      12 CYSS HB2     3.23            #peak   214 #SUP  0.97  #QF  0.97
 32 HIST H      32 HIST HB3     4.02            #peak   222 #SUP  0.78  #QF  0.78
 32 HIST HB3    35 CYSS H       3.87            #peak   223 #SUP  0.92  #QF  0.92
 32 HIST HB3    35 CYSS HB2     3.88            #peak   225 #SUP  0.98  #QF  0.98
 39 PRO  HA     40 LEU  H       3.00            #peak   230 #SUP  0.90  #QF  0.90
 36 LEU  HB3    39 PRO  HA      3.94            #peak   232 #SUP  1.00  #QF  0.92
 36 LEU  HB2    39 PRO  HA      3.94            #peak   233 #SUP  0.91  #QF  0.91
 50 CYSS H      50 CYSS HB2     3.87            #peak   240 #SUP  0.99  #QF  0.99
 24 CYSS HB2    50 CYSS HB2     4.21            #peak   242 #SUP  0.99  #QF  0.99
 31 TYR  QE     50 CYSS HB3     3.82            #peak   244 #SUP  1.00
 48 TRP  HA     48 TRP  HD1     3.71            #peak   251 #SUP  0.92  #QF  0.92
 48 TRP  HB2    48 TRP  HD1     3.78            #peak   252 #SUP  1.00
 48 TRP  H      48 TRP  HB3     3.82            #peak   257 #SUP  1.00
 48 TRP  H      48 TRP  HB2     3.98            #peak   261 #SUP  1.00
 35 CYSS H      35 CYSS HB3     3.85            #peak   268 #SUP  0.98  #QF  0.98
 32 HIST HB2    35 CYSS HB3     4.05            #peak   270 #SUP  0.98  #QF  0.98
 14 VAL  HB     35 CYSS HB3     3.20            #peak   272 #SUP  1.00
 35 CYSS H      35 CYSS HB2     3.37            #peak   275 #SUP  0.97  #QF  0.97
 32 HIST HB2    35 CYSS HB2     3.62            #peak   277 #SUP  0.99  #QF  0.99
 14 VAL  HB     35 CYSS HB2     3.70            #peak   279 #SUP  1.00
 32 HIST H      35 CYSS HB2     3.82            #peak   281 #SUP  0.70  #QF  0.70
 29 ARG  HA     29 ARG  HG3     4.18            #peak   286 #SUP  1.00
 53 CYSS H      53 CYSS HB2     3.55            #peak   291 #SUP  0.98  #QF  0.98
 53 CYSS HB2    54 GLN  H       4.02            #peak   292 #SUP  0.99  #QF  0.99
 49 ILE  QG2    53 CYSS HB2     3.25            #peak   295 #SUP  1.00
 53 CYSS H      53 CYSS HB3     3.70            #peak   296 #SUP  0.98  #QF  0.98
 49 ILE  QG2    53 CYSS HB3     3.23            #peak   299 #SUP  1.00
 54 GLN  H      54 GLN  HB3     3.79            #peak   300 #SUP  0.99  #QF  0.99
 51 PRO  HA     54 GLN  HB2     3.79            #peak   303 #SUP  0.95  #QF  0.95
 43 ILE  H      43 ILE  HG13    3.94            #peak   311 #SUP  0.99  #QF  0.99
 43 ILE  HA     43 ILE  HG13    4.01            #peak   328 #SUP  1.00
 33 LEU  QD1    43 ILE  HA      3.93            #peak   330 #SUP  0.99  #QF  0.99
 42 THR  HA     42 THR  QG2     3.41            #peak   340 #SUP  1.00
 42 THR  HA     43 ILE  H       3.07            #peak   341 #SUP  0.95  #QF  0.95
 22 LEU  QD2    44 PRO  HG2     4.15            #peak   346 #SUP  1.00  #QF  0.38
 40 LEU  H      40 LEU  HG      3.85            #peak   347 #SUP  0.97  #QF  0.97
 36 LEU  QD1    40 LEU  HG      3.30            #peak   348 #SUP  1.00  #QF  0.53
 33 LEU  HA     33 LEU  HG      3.66            #peak   355 #SUP  0.99  #QF  0.99
 33 LEU  HA     36 LEU  QD1     3.41            #peak   357 #SUP  0.96  #QF  0.96
 33 LEU  HA     33 LEU  QD1     4.56            #peak   358 #SUP  1.00  #QF  0.97
 33 LEU  HA     40 LEU  QD1     4.72            #peak   358 #SUP  1.00  #QF  0.97
 49 ILE  QG2    49 ILE  HG12    3.62            #peak   364 #SUP  1.00  #QF  0.98
 36 LEU  HB3    36 LEU  QD1     3.37            #peak   367 #SUP  0.99  #QF  0.79
 36 LEU  HB2    36 LEU  QD1     3.37            #peak   368 #SUP  0.94  #QF  0.94
 31 TYR  QD     48 TRP  HH2     3.54            #peak   370 #SUP  1.00  #QF  0.76
 48 TRP  HH2    50 CYSS HA      3.94            #peak   372 #SUP  0.86  #QF  0.86
 48 TRP  HH2    50 CYSS HB2     3.90            #peak   373 #SUP  1.00
 36 LEU  QD2    48 TRP  HH2     3.58            #peak   374 #SUP  0.99  #QF  0.99
 12 CYSS HA     21 LEU  QD1     3.78            #peak   379 #SUP  1.00  #QF  0.95
 12 CYSS HA     21 LEU  QD2     3.93            #peak   380 #SUP  1.00
 29 ARG  HA     30 VAL  H       3.30            #peak   392 #SUP  0.91  #QF  0.91
 30 VAL  HA     31 TYR  H       3.06            #peak   395 #SUP  0.90  #QF  0.90
 30 VAL  HA     31 TYR  QD      3.88            #peak   396 #SUP  0.97  #QF  0.97
 30 VAL  HA     30 VAL  QG1     3.33            #peak   398 #SUP  1.00
 21 LEU  QD1    30 VAL  HB      3.91            #peak   403 #SUP  1.00
 21 LEU  HB3    21 LEU  QD1     3.45            #peak   405 #SUP  0.99  #QF  0.99
 48 TRP  HB3    48 TRP  HE3     3.50            #peak   408 #SUP  0.95  #QF  0.95
 52 ARG  HA     52 ARG  HD2     5.01            #peak   409 #SUP  1.00  #QF  0.79
 52 ARG  HA     52 ARG  HD3     5.01            #peak   409 #SUP  1.00  #QF  0.79
 52 ARG  HA     52 ARG  HG2     4.18            #peak   411 #SUP  0.98  #QF  0.98
 11 PHE  HB3    16 ARG  HA      3.67            #peak   415 #SUP  0.75  #QF  0.75
 31 TYR  HA     32 HIST H       3.10            #peak   426 #SUP  0.73  #QF  0.73
 12 CYSS HA     31 TYR  HA      3.95            #peak   427 #SUP  0.98  #QF  0.98
 48 TRP  HZ2    50 CYSS HA      3.78            #peak   432 #SUP  0.98  #QF  0.98
 40 LEU  QD1    48 TRP  HE1     3.84            #peak   436 #SUP  0.97  #QF  0.97
 40 LEU  HB2    40 LEU  QD1     3.19            #peak   438 #SUP  1.00  #QF  0.95
 40 LEU  HB3    40 LEU  QD1     3.46            #peak   438 #SUP  1.00  #QF  0.95
 22 LEU  QD2    40 LEU  QD1     3.33            #peak   439 #SUP  0.98  #QF  0.98
 54 GLN  HA     54 GLN  HG2     3.90            #peak   442 #SUP  0.99  #QF  0.99
 54 GLN  HA     54 GLN  HG3     3.90            #peak   443 #SUP  0.99  #QF  0.99
 40 LEU  QD1    44 PRO  HA      4.61            #peak   455 #SUP  0.99  #QF  0.98
 33 LEU  HB3    33 LEU  QD1     3.35            #peak   456 #SUP  0.98  #QF  0.98
 40 LEU  HB3    41 LYS  HA      4.55            #peak   460 #SUP  1.00  #QF  0.84
 22 LEU  HB3    22 LEU  QD2     3.53            #peak   464 #SUP  1.00
 47 MET  HA     48 TRP  H       3.02            #peak   469 #SUP  0.93  #QF  0.93
  9 GLU  HA     10 ASP  H       3.11            #peak   470 #SUP  0.82  #QF  0.82
  9 GLU  HA      9 GLU  HG2     3.89            #peak   471 #SUP  0.93  #QF  0.49
  9 GLU  HA      9 GLU  HG3     3.89            #peak   471 #SUP  0.93  #QF  0.49
 20 GLN  HA     21 LEU  H       2.84            #peak   477 #SUP  0.75  #QF  0.75
 31 TYR  QD     48 TRP  HZ3     3.68            #peak   481 #SUP  0.98  #QF  0.98
 33 LEU  QD2    43 ILE  HA      3.58            #peak   482 #SUP  1.00
 33 LEU  HA     33 LEU  QD2     3.17            #peak   483 #SUP  1.00
 33 LEU  HB3    33 LEU  QD2     3.48            #peak   484 #SUP  1.00
 33 LEU  QD2    40 LEU  HB3     3.34            #peak   486 #SUP  0.98  #QF  0.84
 33 LEU  QD2    40 LEU  QD1     3.70            #peak   487 #SUP  1.00
 22 LEU  QD2    33 LEU  QD2     3.34            #peak   488 #SUP  0.99  #QF  0.99
 22 LEU  QD1    23 MET  H       3.56            #peak   489 #SUP  0.99  #QF  0.99
 22 LEU  HA     22 LEU  QD1     3.36            #peak   490 #SUP  0.99  #QF  0.99
 22 LEU  QD1    44 PRO  HD2     3.56            #peak   491 #SUP  0.99  #QF  0.99
 22 LEU  QD1    44 PRO  HG2     4.31            #peak   492 #SUP  1.00  #QF  0.28
 22 LEU  QD1    44 PRO  HG3     4.31            #peak   492 #SUP  1.00  #QF  0.28
  8 HIST HB3    30 VAL  QG1     4.18            #peak   496 #SUP  0.98  #QF  0.98
 23 MET  HG3    30 VAL  QG1     4.08            #peak   498 #SUP  0.94  #QF  0.94
 36 LEU  QD2    48 TRP  HZ2     3.31            #peak   501 #SUP  1.00  #QF  0.74
 36 LEU  QD2    51 PRO  HD3     3.81            #peak   504 #SUP  0.99  #QF  0.99
 31 TYR  HB3    36 LEU  QD2     3.93            #peak   505 #SUP  1.00
 36 LEU  QD2    51 PRO  HG3     3.53            #peak   506 #SUP  1.00
 36 LEU  HB2    36 LEU  QD2     3.86            #peak   508 #SUP  1.00
 21 LEU  QD2    32 HIST HD2     3.96            #peak   510 #SUP  0.95  #QF  0.95
 40 LEU  HA     40 LEU  QD2     3.17            #peak   511 #SUP  0.95  #QF  0.95
 40 LEU  HB3    40 LEU  QD2     3.31            #peak   513 #SUP  1.00
 29 ARG  HB3    31 TYR  QE      3.92            #peak   516 #SUP  0.98  #QF  0.98
 14 VAL  QG2    31 TYR  QE      3.66            #peak   517 #SUP  1.00
 29 ARG  HB2    31 TYR  QE      3.91            #peak   518 #SUP  0.99  #QF  0.99
 11 PHE  HA     12 CYSS H       3.16            #peak   519 #SUP  0.97  #QF  0.97
 11 PHE  HA     11 PHE  QD      3.97            #peak   520 #SUP  0.99  #QF  0.99
 11 PHE  HA     21 LEU  QD1     3.86            #peak   522 #SUP  0.99  #QF  0.96
 36 LEU  HA     37 ASP  H       2.97            #peak   523 #SUP  0.74  #QF  0.74
 36 LEU  HA     36 LEU  HG      3.92            #peak   525 #SUP  1.00
 36 LEU  HA     36 LEU  QD2     3.14            #peak   527 #SUP  0.99  #QF  0.99
 26 THR  HA     26 THR  QG2     3.19            #peak   528 #SUP  0.98  #QF  0.72
 26 THR  QG2    53 CYSS HB3     4.16            #peak   529 #SUP  0.68  #QF  0.68
 26 THR  QG2    49 ILE  QG2     3.85            #peak   530 #SUP  0.96  #QF  0.87
 26 THR  QG2    49 ILE  QD1     4.20            #peak   530 #SUP  0.96  #QF  0.87
 12 CYSS H      21 LEU  QD2     3.99            #peak   531 #SUP  0.98  #QF  0.98
 21 LEU  HA     21 LEU  QD2     3.25            #peak   532 #SUP  0.96  #QF  0.96
 12 CYSS HB2    21 LEU  QD2     3.45            #peak   534 #SUP  1.00
 21 LEU  HB2    21 LEU  QD2     3.86            #peak   535 #SUP  1.00
 21 LEU  HB3    21 LEU  QD2     3.40            #peak   537 #SUP  1.00
 21 LEU  QD2    30 VAL  QG2     3.43            #peak   538 #SUP  1.00
 22 LEU  HA     23 MET  H       2.98            #peak   546 #SUP  0.95  #QF  0.95
 14 VAL  H      14 VAL  QG2     3.37            #peak   549 #SUP  0.86  #QF  0.86
 14 VAL  QG2    31 TYR  QD      3.29            #peak   550 #SUP  0.97  #QF  0.97
 14 VAL  HA     14 VAL  QG2     3.10            #peak   552 #SUP  0.99  #QF  0.99
 14 VAL  QG2    35 CYSS HB3     3.52            #peak   553 #SUP  1.00
 14 VAL  QG2    35 CYSS HB2     3.97            #peak   554 #SUP  1.00
 14 VAL  QG1    15 CYSS H       3.82            #peak   559 #SUP  0.87  #QF  0.87
 14 VAL  HA     14 VAL  QG1     3.09            #peak   560 #SUP  0.99  #QF  0.99
 14 VAL  QG1    35 CYSS HB3     3.44            #peak   561 #SUP  1.00
 14 VAL  QG1    15 CYSS HB3     3.71            #peak   562 #SUP  0.91  #QF  0.91
 30 VAL  H      30 VAL  QG2     3.66            #peak   565 #SUP  0.83  #QF  0.83
 12 CYSS HA     30 VAL  QG2     3.67            #peak   566 #SUP  0.95  #QF  0.95
  9 GLU  HB2    30 VAL  QG2     3.93            #peak   567 #SUP  0.99  #QF  0.95
 43 ILE  HA     44 PRO  HD3     2.83            #peak   571 #SUP  0.99  #QF  0.99
 43 ILE  QG2    44 PRO  HD3     3.76            #peak   574 #SUP  0.98  #QF  0.98
 40 LEU  QD1    44 PRO  HD3     3.64            #peak   575 #SUP  0.99  #QF  0.99
 22 LEU  QD1    44 PRO  HD3     4.06            #peak   576 #SUP  0.97  #QF  0.97
 22 LEU  QD2    44 PRO  HD3     3.81            #peak   577 #SUP  1.00
 43 ILE  HA     44 PRO  HD2     3.00            #peak   578 #SUP  0.99  #QF  0.99
 43 ILE  QG2    44 PRO  HD2     3.36            #peak   581 #SUP  0.99  #QF  0.99
 22 LEU  QD2    44 PRO  HD2     3.74            #peak   583 #SUP  0.99  #QF  0.99
 49 ILE  QG2    50 CYSS H       3.88            #peak   584 #SUP  0.97  #QF  0.97
 49 ILE  HA     49 ILE  QG2     3.46            #peak   585 #SUP  0.98  #QF  0.98
 49 ILE  QG2    54 GLN  HG2     3.99            #peak   588 #SUP  0.98  #QF  0.98
 49 ILE  QG2    49 ILE  HG13    3.62            #peak   590 #SUP  1.00
 48 TRP  HZ2    51 PRO  HD3     3.69            #peak   593 #SUP  0.55  #QF  0.55
 36 LEU  QD1    48 TRP  HZ2     3.37            #peak   594 #SUP  0.99  #QF  0.99
 38 PRO  HA     39 PRO  HD2     3.28            #peak   596 #SUP  1.00
 38 PRO  HA     39 PRO  HD3     3.28            #peak   601 #SUP  1.00
 38 PRO  HB3    39 PRO  HD3     3.98            #peak   605 #SUP  1.00
 50 CYSS HB3    51 PRO  HD2     3.90            #peak   612 #SUP  0.92  #QF  0.92
 36 LEU  QD2    51 PRO  HD2     3.93            #peak   614 #SUP  1.00
 43 ILE  HA     43 ILE  QG2     3.25            #peak   616 #SUP  1.00
 43 ILE  QG2    43 ILE  HG12    3.72            #peak   618 #SUP  0.99  #QF  0.99
 22 LEU  QD1    43 ILE  QG2     3.68            #peak   619 #SUP  0.95  #QF  0.95
  9 GLU  HG2    10 ASP  H       5.50            #peak   622 #SUP  1.00  #QF  0.94
  9 GLU  HG3    10 ASP  H       5.50            #peak   622 #SUP  1.00  #QF  0.94
 10 ASP  HA     21 LEU  QD1     4.70            #peak   623 #SUP  0.98  #QF  0.61
 11 PHE  HA     21 LEU  QD2     4.88            #peak   627 #SUP  0.94  #QF  0.94
 11 PHE  HA     12 CYSS HA      4.97            #peak   629 #SUP  0.89  #QF  0.89
 11 PHE  HB3    16 ARG  H       5.10            #peak   634 #SUP  0.86  #QF  0.86
 12 CYSS HB3    21 LEU  QD1     4.80            #peak   637 #SUP  0.96  #QF  0.96
 12 CYSS HB3    16 ARG  HA      4.55            #peak   638 #SUP  0.97  #QF  0.97
 12 CYSS HB2    21 LEU  QD1     4.51            #peak   640 #SUP  0.95  #QF  0.94
 12 CYSS HB2    16 ARG  H       4.28            #peak   641 #SUP  0.84  #QF  0.84
 12 CYSS HB2    13 SER  H       4.89            #peak   642 #SUP  0.93  #QF  0.93
 12 CYSS HB2    32 HIST HE1     4.03            #peak   643 #SUP  0.92  #QF  0.92
 13 SER  HB3    29 ARG  HB3     5.01            #peak   646 #SUP  0.80  #QF  0.80
 13 SER  HB3    31 TYR  QE      4.91            #peak   647 #SUP  0.98  #QF  0.98
 13 SER  HB3    14 VAL  H       4.95            #peak   648 #SUP  0.70  #QF  0.70
 13 SER  HB2    14 VAL  QG2     4.82            #peak   649 #SUP  0.97  #QF  0.97
 13 SER  HB2    29 ARG  HB3     4.51            #peak   650 #SUP  0.92  #QF  0.92
 13 SER  HB2    29 ARG  HB2     5.50            #peak   651 #SUP  0.97  #QF  0.97
 13 SER  HB2    30 VAL  H       5.11            #peak   654 #SUP  0.82  #QF  0.82
 13 SER  HB2    14 VAL  H       4.72            #peak   655 #SUP  0.61  #QF  0.61
 51 PRO  HA     54 GLN  HE21    5.50            #peak   658 #SUP  0.89  #QF  0.89
 51 PRO  HA     54 GLN  H       4.14            #peak   659 #SUP  0.94  #QF  0.94
 14 VAL  H      14 VAL  HB      3.48            #peak   661 #SUP  0.78  #QF  0.78
 14 VAL  HB     15 CYSS HB3     4.54            #peak   662 #SUP  0.97  #QF  0.65
 14 VAL  QG2    36 LEU  QD2     4.62            #peak   663 #SUP  0.94  #QF  0.94
 14 VAL  QG2    31 TYR  HA      4.86            #peak   664 #SUP  0.85  #QF  0.85
 14 VAL  QG2    15 CYSS H       4.34            #peak   665 #SUP  0.82  #QF  0.82
 14 VAL  QG1    35 CYSS HA      4.30            #peak   666 #SUP  1.00
 14 VAL  H      14 VAL  QG1     4.28            #peak   667 #SUP  0.85  #QF  0.85
 14 VAL  QG1    15 CYSS HB2     4.98            #peak   669 #SUP  0.99  #QF  0.99
 15 CYSS H      15 CYSS HB2     4.11            #peak   672 #SUP  0.73  #QF  0.73
 15 CYSS HB2    17 LYS  H       5.50            #peak   673 #SUP  0.90  #QF  0.90
 16 ARG  HA     16 ARG  HD2     5.45            #peak   676 #SUP  0.99  #QF  0.92
 16 ARG  HA     16 ARG  HD3     5.45            #peak   676 #SUP  0.99  #QF  0.92
 11 PHE  QD     16 ARG  HA      4.87            #peak   677 #SUP  0.97  #QF  0.97
 16 ARG  H      16 ARG  HG3     4.48            #peak   691 #SUP  0.84  #QF  0.84
 17 LYS  H      17 LYS  HG2     4.75            #peak   701 #SUP  0.87  #QF  0.87
 17 LYS  H      17 LYS  HG3     4.75            #peak   702 #SUP  0.97  #QF  0.97
 11 PHE  QE     18 SER  HB2     5.00            #peak   704 #SUP  0.99  #QF  0.99
 11 PHE  QE     18 SER  HB3     5.00            #peak   708 #SUP  0.94  #QF  0.94
 20 GLN  HA     21 LEU  HG      5.03            #peak   712 #SUP  0.97  #QF  0.97
 20 GLN  HA     21 LEU  HB3     5.50            #peak   713 #SUP  0.97  #QF  0.97
 20 GLN  HA     21 LEU  HB2     4.95            #peak   714 #SUP  0.98  #QF  0.98
 20 GLN  HA     20 GLN  HG3     4.06            #peak   715 #SUP  0.95  #QF  0.95
 20 GLN  HA     20 GLN  HG2     4.06            #peak   716 #SUP  0.99  #QF  0.99
 21 LEU  HB2    22 LEU  H       4.38            #peak   723 #SUP  0.95  #QF  0.95
 21 LEU  H      21 LEU  QD1     4.42            #peak   732 #SUP  0.97  #QF  0.97
 20 GLN  H      21 LEU  QD1     5.50            #peak   734 #SUP  0.62  #QF  0.62
 21 LEU  QD2    30 VAL  HB      4.08            #peak   735 #SUP  0.99  #QF  0.99
 21 LEU  QD2    32 HIST HA      4.38            #peak   737 #SUP  0.86  #QF  0.86
 21 LEU  QD2    32 HIST H       4.24            #peak   740 #SUP  0.91  #QF  0.91
 13 SER  H      21 LEU  QD2     4.74            #peak   741 #SUP  0.62  #QF  0.62
 21 LEU  QD2    22 LEU  H       4.18            #peak   742 #SUP  0.95  #QF  0.95
 22 LEU  HA     22 LEU  QD2     4.36            #peak   743 #SUP  0.99  #QF  0.99
 22 LEU  HB3    23 MET  H       4.62            #peak   745 #SUP  0.97  #QF  0.97
 22 LEU  HB3    31 TYR  H       4.92            #peak   746 #SUP  0.75  #QF  0.75
 22 LEU  HG     23 MET  H       4.65            #peak   751 #SUP  0.99  #QF  0.99
 22 LEU  H      22 LEU  HG      4.64            #peak   752 #SUP  1.00
 22 LEU  HB3    22 LEU  QD1     4.08            #peak   753 #SUP  0.96  #QF  0.96
 22 LEU  QD1    43 ILE  HA      4.60            #peak   755 #SUP  0.96  #QF  0.96
 22 LEU  QD2    48 TRP  HZ2     4.60            #peak   760 #SUP  1.00
 22 LEU  QD2    48 TRP  HD1     4.98            #peak   761 #SUP  0.99  #QF  0.99
 22 LEU  H      22 LEU  QD2     4.87            #peak   763 #SUP  1.00
 22 LEU  QD2    23 MET  H       5.06            #peak   764 #SUP  1.00
 22 LEU  QD2    48 TRP  HE1     4.71            #peak   765 #SUP  0.96  #QF  0.96
 22 LEU  H      30 VAL  HB      4.88            #peak   771 #SUP  0.99  #QF  0.99
 24 CYSS HB3    48 TRP  HZ3     4.92            #peak   774 #SUP  0.99  #QF  0.99
 24 CYSS HB3    31 TYR  QE      4.85            #peak   775 #SUP  0.93  #QF  0.93
 24 CYSS HB3    28 SER  H       5.09            #peak   776 #SUP  0.97  #QF  0.97
 24 CYSS HB3    29 ARG  H       4.55            #peak   777 #SUP  0.81  #QF  0.81
 24 CYSS HB3    50 CYSS H       4.80            #peak   778 #SUP  0.97  #QF  0.97
 24 CYSS HB2    48 TRP  HZ3     4.19            #peak   780 #SUP  0.99  #QF  0.99
 24 CYSS HB2    31 TYR  QE      4.17            #peak   781 #SUP  0.98  #QF  0.98
 24 CYSS H      24 CYSS HB2     4.03            #peak   782 #SUP  0.86  #QF  0.86
 24 CYSS HB2    29 ARG  H       4.77            #peak   784 #SUP  0.82  #QF  0.82
 24 CYSS HB2    48 TRP  HE3     5.05            #peak   785 #SUP  0.97  #QF  0.97
 24 CYSS HB2    27 CYSS H       4.76            #peak   786 #SUP  0.42  #QF  0.42
 25 ASP  HB2    47 MET  HA      4.57            #peak   790 #SUP  0.93  #QF  0.93
 25 ASP  HB3    26 THR  HA      5.50            #peak   791 #SUP  0.97  #QF  0.85
 25 ASP  HB2    49 ILE  HA      5.50            #peak   791 #SUP  0.97  #QF  0.85
 25 ASP  HB3    49 ILE  HA      5.50            #peak   791 #SUP  0.97  #QF  0.85
 26 THR  HB     49 ILE  QG2     4.90            #peak   794 #SUP  0.79  #QF  0.79
 26 THR  H      26 THR  QG2     4.49            #peak   798 #SUP  0.97  #QF  0.97
  8 HIST HD2    28 SER  HA      4.55            #peak   799 #SUP  0.96  #QF  0.96
 29 ARG  HA     30 VAL  QG2     4.40            #peak   806 #SUP  0.94  #QF  0.94
 29 ARG  HA     30 VAL  QG1     4.57            #peak   807 #SUP  0.95  #QF  0.95
  9 GLU  HB2    29 ARG  HA      4.42            #peak   808 #SUP  0.41  #QF  0.41
 29 ARG  HB2    30 VAL  H       5.06            #peak   811 #SUP  0.89  #QF  0.89
 29 ARG  HA     29 ARG  HG2     4.18            #peak   820 #SUP  0.98  #QF  0.98
 29 ARG  HA     29 ARG  HD2     5.50            #peak   824 #SUP  1.00  #QF  0.96
 29 ARG  HA     29 ARG  HD3     5.50            #peak   824 #SUP  1.00  #QF  0.96
 29 ARG  H      29 ARG  HD2     5.50            #peak   826 #SUP  0.99  #QF  0.90
 29 ARG  H      29 ARG  HD3     5.50            #peak   826 #SUP  0.99  #QF  0.90
 30 VAL  HA     30 VAL  QG2     4.05            #peak   827 #SUP  1.00
  8 HIST HB2    30 VAL  QG1     4.18            #peak   829 #SUP  0.99  #QF  0.99
 23 MET  HA     30 VAL  QG1     4.07            #peak   830 #SUP  0.66  #QF  0.66
  8 HIST HD2    30 VAL  QG1     4.16            #peak   831 #SUP  0.97  #QF  0.97
 30 VAL  H      30 VAL  QG1     4.51            #peak   832 #SUP  0.96  #QF  0.96
 23 MET  H      30 VAL  QG1     4.86            #peak   833 #SUP  0.97  #QF  0.97
 30 VAL  QG1    31 TYR  H       4.37            #peak   834 #SUP  0.81  #QF  0.81
 21 LEU  HB2    30 VAL  QG2     4.52            #peak   835 #SUP  0.97  #QF  0.97
  9 GLU  HG2    30 VAL  QG2     5.24            #peak   836 #SUP  0.87  #QF  0.50
  9 GLU  HG3    30 VAL  QG2     5.24            #peak   836 #SUP  0.87  #QF  0.50
 10 ASP  HA     30 VAL  QG2     4.65            #peak   838 #SUP  0.83  #QF  0.83
 11 PHE  H      30 VAL  QG2     4.57            #peak   840 #SUP  0.88  #QF  0.88
 12 CYSS H      30 VAL  QG2     4.75            #peak   841 #SUP  0.99  #QF  0.99
 13 SER  H      30 VAL  QG2     4.28            #peak   842 #SUP  0.72  #QF  0.72
 21 LEU  QD2    31 TYR  HA      4.39            #peak   843 #SUP  0.99  #QF  0.99
 30 VAL  QG2    31 TYR  HA      4.97            #peak   844 #SUP  1.00  #QF  0.85
 12 CYSS HB2    31 TYR  HA      4.85            #peak   845 #SUP  0.97  #QF  0.97
 31 TYR  HA     31 TYR  QD      4.04            #peak   846 #SUP  0.99  #QF  0.99
 31 TYR  HB3    36 LEU  QD1     4.41            #peak   847 #SUP  0.99  #QF  0.99
 22 LEU  HB3    31 TYR  HB3     5.50            #peak   848 #SUP  0.94  #QF  0.94
 31 TYR  HB3    36 LEU  HG      4.13            #peak   849 #SUP  0.99  #QF  0.99
 31 TYR  HB3    48 TRP  HH2     4.81            #peak   850 #SUP  0.99  #QF  0.99
 31 TYR  H      31 TYR  HB3     4.13            #peak   852 #SUP  0.97  #QF  0.97
 31 TYR  HB2    36 LEU  QD2     4.03            #peak   853 #SUP  0.99  #QF  0.99
 31 TYR  HB2    36 LEU  QD1     4.30            #peak   854 #SUP  0.98  #QF  0.98
 22 LEU  HB3    31 TYR  HB2     4.64            #peak   855 #SUP  0.89  #QF  0.89
 31 TYR  HB2    36 LEU  HG      4.45            #peak   856 #SUP  0.99  #QF  0.99
 31 TYR  HB2    32 HIST H       4.51            #peak   858 #SUP  0.80  #QF  0.80
 22 LEU  H      31 TYR  HB2     5.20            #peak   859 #SUP  0.81  #QF  0.81
 32 HIST HB2    34 ASP  H       4.06            #peak   864 #SUP  0.95  #QF  0.95
 32 HIST HB3    33 LEU  H       4.21            #peak   867 #SUP  1.00
 22 LEU  QD2    33 LEU  HA      4.73            #peak   868 #SUP  0.93  #QF  0.93
 33 LEU  HA     35 CYSS H       4.80            #peak   869 #SUP  0.99  #QF  0.76
 33 LEU  HA     40 LEU  H       5.12            #peak   869 #SUP  0.99  #QF  0.76
 33 LEU  HB2    35 CYSS H       5.32            #peak   872 #SUP  0.53  #QF  0.53
 33 LEU  HB3    40 LEU  H       4.78            #peak   873 #SUP  0.90  #QF  0.90
 33 LEU  HB3    34 ASP  H       4.37            #peak   874 #SUP  0.97  #QF  0.97
 33 LEU  H      33 LEU  HB3     4.09            #peak   875 #SUP  0.99  #QF  0.99
 22 LEU  QD2    44 PRO  HG3     4.15            #peak   876 #SUP  0.95  #QF  0.74
 44 PRO  HG3    48 TRP  HB2     4.55            #peak   877 #SUP  0.77  #QF  0.77
 33 LEU  HG     34 ASP  H       5.07            #peak   880 #SUP  0.94  #QF  0.94
 40 LEU  HA     40 LEU  QD1     4.43            #peak   885 #SUP  0.98  #QF  0.98
 40 LEU  QD1    48 TRP  HZ2     4.49            #peak   886 #SUP  0.97  #QF  0.97
 40 LEU  QD1    48 TRP  HD1     4.15            #peak   887 #SUP  0.97  #QF  0.97
 40 LEU  H      40 LEU  QD1     4.59            #peak   888 #SUP  0.97  #QF  0.97
 33 LEU  QD1    43 ILE  H       4.61            #peak   889 #SUP  0.89  #QF  0.89
 33 LEU  QD2    42 THR  HA      4.66            #peak   891 #SUP  0.99  #QF  0.99
 33 LEU  QD2    44 PRO  HD2     4.46            #peak   892 #SUP  0.96  #QF  0.96
 33 LEU  QD2    44 PRO  HD3     4.12            #peak   893 #SUP  1.00
 33 LEU  QD2    40 LEU  H       4.83            #peak   894 #SUP  0.94  #QF  0.94
 33 LEU  QD2    43 ILE  H       4.85            #peak   895 #SUP  0.76  #QF  0.76
 33 LEU  H      33 LEU  QD2     4.46            #peak   896 #SUP  1.00
 14 VAL  HB     35 CYSS HA      4.97            #peak   898 #SUP  0.99  #QF  0.99
 35 CYSS HB2    36 LEU  H       4.47            #peak   901 #SUP  0.90  #QF  0.90
 33 LEU  H      35 CYSS HB2     5.24            #peak   902 #SUP  0.86  #QF  0.86
 32 HIST H      35 CYSS HB3     4.78            #peak   903 #SUP  0.75  #QF  0.75
 31 TYR  QD     36 LEU  HA      4.88            #peak   905 #SUP  0.81  #QF  0.81
 36 LEU  HB3    37 ASP  H       4.28            #peak   907 #SUP  0.89  #QF  0.89
 36 LEU  HB2    37 ASP  H       4.28            #peak   908 #SUP  0.92  #QF  0.92
 33 LEU  HA     36 LEU  HG      4.62            #peak   910 #SUP  0.96  #QF  0.96
 36 LEU  H      36 LEU  HG      3.94            #peak   912 #SUP  0.86  #QF  0.86
 36 LEU  HG     48 TRP  HZ2     4.91            #peak   913 #SUP  0.96  #QF  0.96
 36 LEU  H      36 LEU  QD1     4.41            #peak   918 #SUP  0.75  #QF  0.75
 36 LEU  QD1    40 LEU  H       4.22            #peak   919 #SUP  0.93  #QF  0.93
 22 LEU  QD2    36 LEU  QD2     4.79            #peak   921 #SUP  0.86  #QF  0.86
 36 LEU  QD2    37 ASP  H       4.18            #peak   922 #SUP  0.76  #QF  0.76
 36 LEU  QD1    39 PRO  HA      4.53            #peak   929 #SUP  0.98  #QF  0.98
 36 LEU  H      39 PRO  HA      4.25            #peak   931 #SUP  0.76  #QF  0.76
 34 ASP  HA     39 PRO  HB2     4.16            #peak   938 #SUP  0.81  #QF  0.81
 39 PRO  HB2    40 LEU  H       4.17            #peak   939 #SUP  0.95  #QF  0.95
 34 ASP  HA     39 PRO  HB3     4.16            #peak   943 #SUP  0.86  #QF  0.86
 38 PRO  HB3    39 PRO  HD2     3.98            #peak   951 #SUP  1.00
 40 LEU  HB3    42 THR  H       4.43            #peak   959 #SUP  0.79  #QF  0.79
 33 LEU  HB3    40 LEU  HB3     3.64            #peak   960 #SUP  0.84  #QF  0.84
 22 LEU  QD2    40 LEU  QD2     4.77            #peak   961 #SUP  1.00
 40 LEU  QD2    44 PRO  HD3     4.35            #peak   962 #SUP  1.00
 40 LEU  H      40 LEU  QD2     4.33            #peak   963 #SUP  0.98  #QF  0.98
 40 LEU  QD2    48 TRP  HE1     4.26            #peak   964 #SUP  0.99  #QF  0.99
 40 LEU  QD2    41 LYS  H       4.61            #peak   965 #SUP  0.99  #QF  0.99
 33 LEU  QD1    41 LYS  HA      4.75            #peak   966 #SUP  0.49  #QF  0.49
 41 LYS  HB2    42 THR  H       5.13            #peak   972 #SUP  0.89  #QF  0.89
 41 LYS  H      41 LYS  HG2     5.17            #peak   984 #SUP  0.82  #QF  0.82
 41 LYS  H      41 LYS  HG3     5.17            #peak   985 #SUP  0.96  #QF  0.96
 33 LEU  QD1    42 THR  HA      4.02            #peak   986 #SUP  0.95  #QF  0.95
 41 LYS  HB3    42 THR  HA      4.59            #peak   987 #SUP  0.79  #QF  0.79
 41 LYS  HB3    42 THR  HB      5.50            #peak   990 #SUP  0.99  #QF  0.97
 42 THR  HB     43 ILE  HB      5.50            #peak   990 #SUP  0.99  #QF  0.97
 42 THR  H      42 THR  QG2     4.23            #peak   994 #SUP  0.89  #QF  0.89
 41 LYS  HB3    42 THR  QG2     4.19            #peak   995 #SUP  0.95  #QF  0.93
 41 LYS  HB2    42 THR  QG2     4.25            #peak   996 #SUP  0.96  #QF  0.96
 43 ILE  HB     44 PRO  HD2     4.52            #peak   997 #SUP  0.99  #QF  0.99
 43 ILE  HB     44 PRO  HD3     5.17            #peak   998 #SUP  0.95  #QF  0.95
 42 THR  HA     43 ILE  HB      5.50            #peak   999 #SUP  1.00  #QF  0.92
 43 ILE  HB     44 PRO  HA      5.50            #peak   999 #SUP  1.00  #QF  0.92
 22 LEU  QD2    43 ILE  HA      4.69            #peak  1000 #SUP  0.99  #QF  0.99
 43 ILE  HA     43 ILE  HG12    4.01            #peak  1001 #SUP  0.99  #QF  0.99
 42 THR  HA     43 ILE  HA      5.10            #peak  1002 #SUP  1.00  #QF  0.98
 22 LEU  QD2    43 ILE  QG2     4.87            #peak  1006 #SUP  1.00
 43 ILE  QG2    44 PRO  HA      4.25            #peak  1008 #SUP  0.93  #QF  0.93
 43 ILE  H      43 ILE  QG2     3.96            #peak  1009 #SUP  0.97  #QF  0.97
 43 ILE  HA     43 ILE  QD1     4.16            #peak  1010 #SUP  0.94  #QF  0.94
 43 ILE  H      43 ILE  QD1     4.55            #peak  1011 #SUP  0.91  #QF  0.91
 43 ILE  QG2    44 PRO  HB3     5.10            #peak  1012 #SUP  0.91  #QF  0.91
 22 LEU  QD1    44 PRO  HB3     5.46            #peak  1013 #SUP  1.00
 22 LEU  QD2    44 PRO  HB3     4.92            #peak  1014 #SUP  0.99  #QF  0.99
 44 PRO  HB3    48 TRP  HB2     4.40            #peak  1016 #SUP  0.99  #QF  0.99
 44 PRO  HB3    48 TRP  HD1     4.49            #peak  1017 #SUP  0.99  #QF  0.99
 44 PRO  HB2    48 TRP  HD1     4.38            #peak  1020 #SUP  0.99  #QF  0.99
 44 PRO  HB2    48 TRP  HB2     4.58            #peak  1022 #SUP  0.99  #QF  0.99
 40 LEU  QD1    44 PRO  HB2     4.90            #peak  1023 #SUP  0.97  #QF  0.97
 40 LEU  QD1    44 PRO  HD2     4.07            #peak  1027 #SUP  0.99  #QF  0.99
 45 LYS  H      45 LYS  HG3     5.10            #peak  1041 #SUP  0.96  #QF  0.96
 47 MET  HB2    48 TRP  H       4.70            #peak  1050 #SUP  0.99  #QF  0.99
 47 MET  HB3    48 TRP  H       4.70            #peak  1051 #SUP  0.97  #QF  0.97
 47 MET  H      47 MET  HB3     4.20            #peak  1052 #SUP  0.98  #QF  0.98
 47 MET  HG2    49 ILE  QD1     4.75            #peak  1053 #SUP  0.93  #QF  0.93
 47 MET  HG3    49 ILE  QD1     4.75            #peak  1054 #SUP  0.96  #QF  0.96
 47 MET  HG2    48 TRP  H       5.03            #peak  1058 #SUP  0.93  #QF  0.93
 47 MET  HG3    48 TRP  H       5.03            #peak  1059 #SUP  0.91  #QF  0.91
 22 LEU  QD1    48 TRP  HB2     5.50            #peak  1066 #SUP  0.97  #QF  0.97
 44 PRO  HG2    48 TRP  HB2     4.55            #peak  1067 #SUP  0.99  #QF  0.95
 48 TRP  HB2    49 ILE  H       4.51            #peak  1069 #SUP  0.98  #QF  0.98
 22 LEU  QD1    48 TRP  HB3     4.73            #peak  1071 #SUP  0.87  #QF  0.87
 48 TRP  HB3    49 ILE  H       5.21            #peak  1073 #SUP  0.98  #QF  0.98
 25 ASP  H      49 ILE  HA      4.79            #peak  1077 #SUP  0.38  #QF  0.38
 49 ILE  HB     53 CYSS HB2     4.70            #peak  1079 #SUP  0.97  #QF  0.97
 49 ILE  HB     54 GLN  HE21    4.58            #peak  1080 #SUP  0.69  #QF  0.69
 25 ASP  HB2    49 ILE  HG12    5.50            #peak  1082 #SUP  1.00  #QF  0.97
 49 ILE  H      49 ILE  HG12    4.14            #peak  1084 #SUP  0.98  #QF  0.98
 25 ASP  HB2    49 ILE  HG13    5.50            #peak  1087 #SUP  0.97  #QF  0.63
 49 ILE  QG2    54 GLN  HB2     4.70            #peak  1088 #SUP  0.96  #QF  0.96
 49 ILE  QG2    54 GLN  HA      4.19            #peak  1089 #SUP  0.94  #QF  0.94
 49 ILE  H      49 ILE  QG2     4.43            #peak  1090 #SUP  0.97  #QF  0.97
 49 ILE  QG2    54 GLN  HE21    4.84            #peak  1091 #SUP  0.96  #QF  0.96
 49 ILE  QG2    53 CYSS H       4.63            #peak  1093 #SUP  0.95  #QF  0.95
 49 ILE  H      49 ILE  QD1     4.59            #peak  1095 #SUP  0.97  #QF  0.97
 49 ILE  QD1    50 CYSS H       5.38            #peak  1096 #SUP  0.98  #QF  0.98
 25 ASP  H      49 ILE  QD1     5.28            #peak  1097 #SUP  0.73  #QF  0.73
 49 ILE  QD1    54 GLN  HA      4.80            #peak  1098 #SUP  0.93  #QF  0.93
 36 LEU  QD2    50 CYSS HB2     4.90            #peak  1100 #SUP  0.97  #QF  0.97
 48 TRP  HZ3    50 CYSS HB2     4.55            #peak  1102 #SUP  0.98  #QF  0.98
 50 CYSS HB2    52 ARG  H       4.93            #peak  1103 #SUP  0.74  #QF  0.74
 31 TYR  QD     50 CYSS HB2     4.52            #peak  1104 #SUP  0.80  #QF  0.80
 24 CYSS HB3    50 CYSS HB3     4.21            #peak  1105 #SUP  0.97  #QF  0.97
 48 TRP  HH2    50 CYSS HB3     4.26            #peak  1106 #SUP  0.98  #QF  0.98
 48 TRP  HZ3    50 CYSS HB3     4.11            #peak  1107 #SUP  0.98  #QF  0.98
 50 CYSS HA     51 PRO  HG2     5.09            #peak  1108 #SUP  0.86  #QF  0.47
 50 CYSS HA     51 PRO  HG3     5.45            #peak  1108 #SUP  0.86  #QF  0.47
 48 TRP  HZ3    50 CYSS HA      4.85            #peak  1109 #SUP  0.96  #QF  0.96
 37 ASP  H      51 PRO  HG3     4.43            #peak  1117 #SUP  0.98  #QF  0.35
 48 TRP  HH2    51 PRO  HD2     4.39            #peak  1120 #SUP  0.99  #QF  0.99
 31 TYR  QE     51 PRO  HD2     4.39            #peak  1121 #SUP  0.98  #QF  0.98
 31 TYR  QD     51 PRO  HD2     4.54            #peak  1122 #SUP  1.00  #QF  0.60
 51 PRO  HD2    52 ARG  H       4.36            #peak  1123 #SUP  0.91  #QF  0.91
 48 TRP  HH2    51 PRO  HD3     4.21            #peak  1127 #SUP  0.97  #QF  0.97
 37 ASP  H      51 PRO  HD3     4.93            #peak  1129 #SUP  0.96  #QF  0.61
 51 PRO  HD3    52 ARG  H       5.31            #peak  1129 #SUP  0.96  #QF  0.61
 49 ILE  QG2    53 CYSS HA      4.54            #peak  1134 #SUP  0.99  #QF  0.99
 50 CYSS H      53 CYSS HB2     4.57            #peak  1138 #SUP  0.83  #QF  0.83
 26 THR  HB     53 CYSS HB3     4.91            #peak  1139 #SUP  0.89  #QF  0.89
 49 ILE  HB     53 CYSS HB3     5.23            #peak  1141 #SUP  0.92  #QF  0.92
 54 GLN  HB3    55 ASP  H       4.58            #peak  1147 #SUP  0.86  #QF  0.86
 55 ASP  H      55 ASP  HB3     4.20            #peak  1152 #SUP  0.91  #QF  0.91
 56 GLN  H      56 GLN  HG2     5.24            #peak  1156 #SUP  0.94  #QF  0.47
 56 GLN  H      56 GLN  HG3     5.24            #peak  1156 #SUP  0.94  #QF  0.47
 37 ASP  HA     38 PRO  HA      3.55            #peak  1165 #SUP  0.96  #QF  0.96
 30 VAL  QG1    31 TYR  QD      5.50            #peak  1166 #SUP  0.94  #QF  0.74
 31 TYR  QD     36 LEU  QD1     5.50            #peak  1166 #SUP  0.94  #QF  0.74
 30 VAL  HB     31 TYR  QD      5.50            #peak  1167 #SUP  0.98  #QF  0.66
 31 TYR  QD     36 LEU  HG      5.50            #peak  1167 #SUP  0.98  #QF  0.66
 31 TYR  QE     36 LEU  QD2     4.70            #peak  1168 #SUP  0.97  #QF  0.97
 31 TYR  QE     50 CYSS HA      4.95            #peak  1170 #SUP  0.91  #QF  0.91
 13 SER  HB2    31 TYR  QE      4.33            #peak  1171 #SUP  0.94  #QF  0.94
 31 TYR  QE     48 TRP  HH2     4.63            #peak  1172 #SUP  0.95  #QF  0.95
 40 LEU  QD2    48 TRP  HD1     4.86            #peak  1174 #SUP  0.94  #QF  0.94
 48 TRP  HD1    49 ILE  H       4.39            #peak  1178 #SUP  0.83  #QF  0.83
 48 TRP  HZ2    51 PRO  HG3     4.78            #peak  1181 #SUP  0.94  #QF  0.94
 48 TRP  HZ2    51 PRO  HD2     4.40            #peak  1182 #SUP  0.96  #QF  0.96
 22 LEU  QD2    48 TRP  HH2     5.00            #peak  1184 #SUP  0.98  #QF  0.98
 36 LEU  QD1    48 TRP  HH2     4.14            #peak  1185 #SUP  0.99  #QF  0.99
 31 TYR  HB2    48 TRP  HH2     4.33            #peak  1187 #SUP  0.98  #QF  0.98
 22 LEU  QD2    48 TRP  HZ3     4.84            #peak  1188 #SUP  1.00
 22 LEU  HG     48 TRP  HZ3     4.32            #peak  1189 #SUP  1.00
 24 CYSS HA     48 TRP  HZ3     4.50            #peak  1193 #SUP  0.96  #QF  0.96
 22 LEU  QD2    48 TRP  HE3     4.67            #peak  1194 #SUP  0.98  #QF  0.98
 22 LEU  QD1    48 TRP  HE3     4.68            #peak  1195 #SUP  0.98  #QF  0.98
 22 LEU  HG     48 TRP  HE3     4.14            #peak  1196 #SUP  0.98  #QF  0.98
 48 TRP  HB2    48 TRP  HE3     4.16            #peak  1197 #SUP  0.98  #QF  0.98
 25 ASP  HB2    48 TRP  HE3     5.50            #peak  1198 #SUP  0.98  #QF  0.97
 25 ASP  H      48 TRP  HE3     4.54            #peak  1199 #SUP  0.49  #QF  0.49
  9 GLU  HB3    11 PHE  QD      4.94            #peak  1201 #SUP  0.95  #QF  0.63
 11 PHE  QD     17 LYS  HA      4.74            #peak  1203 #SUP  0.65  #QF  0.65
 11 PHE  QD     12 CYSS H       5.14            #peak  1204 #SUP  0.99  #QF  0.96
 11 PHE  QD     17 LYS  H       5.50            #peak  1204 #SUP  0.99  #QF  0.96
 10 ASP  H      11 PHE  QD      4.93            #peak  1205 #SUP  0.86  #QF  0.86
 11 PHE  QD     18 SER  H       5.30            #peak  1206 #SUP  0.95  #QF  0.95
 32 HIST HA     32 HIST HD2     4.31            #peak  1208 #SUP  0.86  #QF  0.86
 32 HIST HD2    33 LEU  H       5.10            #peak  1209 #SUP  0.96  #QF  0.96
 21 LEU  QD2    32 HIST HE1     4.51            #peak  1221 #SUP  0.97  #QF  0.97
 17 LYS  HG2    32 HIST HE1     5.18            #peak  1222 #SUP  0.84  #QF  0.84
 43 ILE  QG2    43 ILE  HG13    3.72            #peak  1226 #SUP  0.94  #QF  0.94
  9 GLU  HB2    30 VAL  QG1     4.82            #peak  1229 #SUP  0.98  #QF  0.91
  9 GLU  HB2    11 PHE  H       4.88            #peak  1231 #SUP  0.71  #QF  0.42
  9 GLU  HB3    11 PHE  H       5.08            #peak  1231 #SUP  0.71  #QF  0.42
  9 GLU  HB3    11 PHE  QE      5.03            #peak  1232 #SUP  0.44  #QF  0.44
  9 GLU  HB3    10 ASP  H       3.88            #peak  1233 #SUP  0.99  #QF  0.91
 11 PHE  HB2    12 CYSS H       4.17            #peak  1238 #SUP  0.99  #QF  0.99
 11 PHE  HA     12 CYSS HB3     4.89            #peak  1239 #SUP  0.95  #QF  0.95
 11 PHE  HA     12 CYSS HB2     4.93            #peak  1242 #SUP  0.94  #QF  0.94
 12 CYSS HB2    16 ARG  HA      4.85            #peak  1243 #SUP  0.94  #QF  0.94
 51 PRO  HA     54 GLN  HG2     4.61            #peak  1244 #SUP  0.86  #QF  0.86
 51 PRO  HA     54 GLN  HG3     4.61            #peak  1245 #SUP  0.99  #QF  0.99
 13 SER  HB3    14 VAL  QG2     4.84            #peak  1246 #SUP  0.63  #QF  0.63
 14 VAL  QG1    15 CYSS HA      5.00            #peak  1247 #SUP  0.92  #QF  0.92
 17 LYS  H      17 LYS  HD2     5.50            #peak  1252 #SUP  0.75  #QF  0.48
 17 LYS  H      17 LYS  HD3     5.50            #peak  1252 #SUP  0.75  #QF  0.48
 21 LEU  HB3    30 VAL  QG2     4.06            #peak  1258 #SUP  0.99  #QF  0.94
 21 LEU  H      21 LEU  QD2     4.89            #peak  1260 #SUP  0.95  #QF  0.92
 21 LEU  QD2    30 VAL  H       5.31            #peak  1260 #SUP  0.95  #QF  0.92
 22 LEU  HA     23 MET  HG2     4.64            #peak  1267 #SUP  0.60  #QF  0.60
 22 LEU  HA     23 MET  HG3     4.64            #peak  1271 #SUP  0.48  #QF  0.48
 23 MET  QE     30 VAL  QG1     3.68            #peak  1274 #SUP  0.93  #QF  0.93
 27 CYSS HB3    28 SER  H       3.95            #peak  1276 #SUP  0.94  #QF  0.94
 22 LEU  H      30 VAL  HA      4.83            #peak  1278 #SUP  0.73  #QF  0.73
 21 LEU  QD2    30 VAL  QG1     4.76            #peak  1279 #SUP  0.92  #QF  0.92
 21 LEU  HB2    30 VAL  QG1     4.41            #peak  1281 #SUP  0.98  #QF  0.98
 12 CYSS HA     30 VAL  QG1     5.39            #peak  1283 #SUP  0.99  #QF  0.99
 13 SER  HB2    31 TYR  QD      5.11            #peak  1284 #SUP  0.89  #QF  0.89
 31 TYR  QD     50 CYSS HA      5.14            #peak  1285 #SUP  0.82  #QF  0.82
 31 TYR  QD     50 CYSS HB3     4.46            #peak  1286 #SUP  0.94  #QF  0.94
 31 TYR  QE     50 CYSS HB2     3.62            #peak  1288 #SUP  0.96  #QF  0.96
 29 ARG  HD2    31 TYR  QE      5.50            #peak  1289 #SUP  0.96  #QF  0.88
 29 ARG  HD3    31 TYR  QE      5.50            #peak  1289 #SUP  0.96  #QF  0.88
 30 VAL  H      31 TYR  QE      5.50            #peak  1291 #SUP  0.92  #QF  0.67
 31 TYR  QE     52 ARG  H       5.50            #peak  1291 #SUP  0.92  #QF  0.67
 31 TYR  QE     50 CYSS H       5.24            #peak  1292 #SUP  0.90  #QF  0.90
 31 TYR  H      31 TYR  QE      5.11            #peak  1293 #SUP  0.47  #QF  0.47
 17 LYS  HG3    32 HIST HE1     5.18            #peak  1294 #SUP  0.97  #QF  0.97
 17 LYS  H      32 HIST HE1     3.91            #peak  1295 #SUP  0.78  #QF  0.78
 33 LEU  HA     40 LEU  HB2     4.06            #peak  1296 #SUP  1.00  #QF  0.91
 33 LEU  HA     40 LEU  HB3     4.64            #peak  1296 #SUP  1.00  #QF  0.91
 22 LEU  HB2    33 LEU  QD2     3.51            #peak  1302 #SUP  0.62  #QF  0.62
 22 LEU  HB3    33 LEU  QD2     4.51            #peak  1304 #SUP  0.95  #QF  0.95
 14 VAL  QG1    35 CYSS HB2     4.20            #peak  1308 #SUP  0.99  #QF  0.99
 35 CYSS HB3    36 LEU  H       4.98            #peak  1309 #SUP  0.91  #QF  0.91
 35 CYSS H      36 LEU  HG      5.44            #peak  1312 #SUP  0.99  #QF  0.84
 36 LEU  HG     40 LEU  H       5.50            #peak  1312 #SUP  0.99  #QF  0.84
 36 LEU  QD1    51 PRO  HG3     5.14            #peak  1314 #SUP  0.85  #QF  0.85
 36 LEU  HA     36 LEU  QD1     4.16            #peak  1315 #SUP  0.96  #QF  0.96
 36 LEU  QD2    50 CYSS HB3     4.79            #peak  1317 #SUP  0.91  #QF  0.91
 36 LEU  QD2    48 TRP  HE1     5.12            #peak  1320 #SUP  0.97  #QF  0.97
 36 LEU  QD1    40 LEU  QD1     2.93            #peak  1331 #SUP  0.99  #QF  0.63
 33 LEU  HB2    33 LEU  QD1     3.38            #peak  1332 #SUP  0.86  #QF  0.86
 40 LEU  QD2    44 PRO  HB3     4.57            #peak  1333 #SUP  0.82  #QF  0.82
 40 LEU  QD2    48 TRP  HZ2     5.50            #peak  1334 #SUP  1.00
 40 LEU  QD2    42 THR  H       4.82            #peak  1335 #SUP  1.00  #QF  0.78
 41 LYS  HA     41 LYS  HD2     5.05            #peak  1338 #SUP  0.95  #QF  0.88
 41 LYS  HA     41 LYS  HD3     5.05            #peak  1338 #SUP  0.95  #QF  0.88
 17 LYS  HA     17 LYS  HD2     5.50            #peak  1349 #SUP  1.00  #QF  0.99
 17 LYS  HA     17 LYS  HD3     5.50            #peak  1349 #SUP  1.00  #QF  0.99
 47 MET  QE     49 ILE  QD1     3.79            #peak  1350 #SUP  0.99  #QF  0.30
 26 THR  QG2    47 MET  QE      4.00            #peak  1352 #SUP  0.91  #QF  0.91
 25 ASP  HB3    47 MET  QE      4.01            #peak  1353 #SUP  0.97  #QF  0.43
 22 LEU  HB3    48 TRP  HE3     5.13            #peak  1357 #SUP  0.98  #QF  0.98
 48 TRP  HE3    50 CYSS HB3     5.20            #peak  1358 #SUP  0.98  #QF  0.98
 24 CYSS H      48 TRP  HZ3     5.11            #peak  1361 #SUP  0.97  #QF  0.97
 47 MET  QE     49 ILE  QG2     4.38            #peak  1364 #SUP  0.78  #QF  0.78
 52 ARG  H      52 ARG  HB3     3.73            #peak  1369 #SUP  0.86  #QF  0.86
 52 ARG  HB3    53 CYSS H       4.39            #peak  1370 #SUP  0.94  #QF  0.94
 52 ARG  HA     52 ARG  HG3     4.18            #peak  1371 #SUP  1.00
 52 ARG  H      52 ARG  HG3     4.32            #peak  1372 #SUP  0.91  #QF  0.91
 53 CYSS HB3    54 GLN  H       4.16            #peak  1373 #SUP  0.99  #QF  0.99
 54 GLN  HB2    55 ASP  H       4.51            #peak  1374 #SUP  0.89  #QF  0.89
 51 PRO  HA     54 GLN  HB3     4.67            #peak  1375 #SUP  0.79  #QF  0.79
 54 GLN  H      54 GLN  HG3     4.12            #peak  1376 #SUP  0.98  #QF  0.98
  8 HIST QB      9 GLU  H       4.08            #peak    59
  8 HIST QB     30 VAL  QG1     3.37            #peak   496
  9 GLU  H       9 GLU  QG      4.07            #peak    58
  9 GLU  HA      9 GLU  QG      3.31            #peak   471
  9 GLU  QG     28 SER  QB      4.03            #peak   801
  9 GLU  QG     30 VAL  QG2     4.52            #peak   836
 10 ASP  H      10 ASP  QB      3.52            #peak    62
 10 ASP  QB     11 PHE  QD      4.51            #peak  1200
 10 ASP  QB     21 LEU  QD1     4.44            #peak   626
 10 ASP  QB     30 VAL  QG2     5.34            #peak   625
 11 PHE  HB3    16 ARG  QB      4.83            #peak   681
 11 PHE  QD     18 SER  QB      4.26            #peak   707
 11 PHE  QE     18 SER  QB      4.19            #peak   708
 15 CYSS HB2    17 LYS  QG      4.73            #peak   670
 16 ARG  HA     16 ARG  QG      3.71            #peak  1249
 16 ARG  HA     16 ARG  QD      4.70            #peak   676
 16 ARG  QB     16 ARG  QD      3.27            #peak    71
 17 LYS  H      17 LYS  QB      3.35            #peak    38
 17 LYS  H      17 LYS  QG      3.92            #peak   701
 17 LYS  HA     17 LYS  QG      3.72            #peak   699
 17 LYS  QB     18 SER  H       3.38            #peak    50
 17 LYS  QB     32 HIST HE1     3.10            #peak    68
 17 LYS  QG     32 HIST HE1     4.55            #peak  1222
 18 SER  H      18 SER  QB      3.49            #peak    90
 18 SER  QB     19 GLY  H       3.62            #peak    94
 22 LEU  HA     23 MET  QG      4.05            #peak  1271
 22 LEU  HB3    23 MET  QG      5.32            #peak  1273
 22 LEU  QD1    44 PRO  QG      3.67            #peak   492
 23 MET  H      23 MET  QB      3.41            #peak   105
 23 MET  H      23 MET  QG      3.84            #peak  1268
 23 MET  QG     24 CYSS H       5.28            #peak  1269
 23 MET  QG     30 VAL  QG1     3.49            #peak   498
 25 ASP  HB2    47 MET  QG      4.42            #peak    62
 25 ASP  HB2    49 ILE  QG1     4.79            #peak  1082
 25 ASP  HB3    47 MET  QG      4.60            #peak    62
 25 ASP  HB3    49 ILE  QG1     4.55            #peak  1275
 26 THR  HB     27 CYSS QB      5.34            #peak   795
 27 CYSS QB     28 SER  H       3.38            #peak  1276
 28 SER  H      29 ARG  QG      4.97            #peak   822
 29 ARG  H      29 ARG  QG      3.85            #peak   821
 29 ARG  HA     29 ARG  QG      3.64            #peak   286
 29 ARG  HA     29 ARG  QD      4.84            #peak   824
 29 ARG  HB3    29 ARG  QD      3.59            #peak    21
 29 ARG  QD     31 TYR  QE      4.69            #peak  1289
 34 ASP  H      34 ASP  QB      3.49            #peak   101
 34 ASP  HA     39 PRO  QB      3.60            #peak   938
 34 ASP  QB     39 PRO  QB      4.50            #peak   942
 36 LEU  H      36 LEU  QB      3.12            #peak    35
 36 LEU  QB     36 LEU  QD1     2.71            #peak   367
 36 LEU  QB     36 LEU  QD2     3.20            #peak   508
 36 LEU  QB     37 ASP  H       3.55            #peak   908
 36 LEU  QB     39 PRO  HA      3.16            #peak   232
 36 LEU  QB     40 LEU  H       3.66            #peak   163
 36 LEU  QB     48 TRP  HZ2     5.34            #peak  1180
 37 ASP  H      37 ASP  QB      3.32            #peak    57
 37 ASP  H      51 PRO  QB      4.57            #peak  1112
 37 ASP  QB     38 PRO  HA      4.78            #peak   926
 38 PRO  HA     39 PRO  QG      4.75            #peak   950
 38 PRO  HA     39 PRO  QD      2.84            #peak   596
 38 PRO  HB2    39 PRO  QD      3.00            #peak   604
 38 PRO  HB3    39 PRO  QD      3.43            #peak   605
 39 PRO  QB     40 LEU  H       3.60            #peak   174
 40 LEU  QD1    44 PRO  QG      3.64            #peak   457
 41 LYS  H      41 LYS  QG      4.51            #peak   985
 41 LYS  HA     41 LYS  QG      3.56            #peak   461
 41 LYS  HA     41 LYS  QD      4.22            #peak  1338
 41 LYS  QG     42 THR  H       5.15            #peak   169
 41 LYS  QG     42 THR  HB      5.34            #peak   991
 42 THR  HA     43 ILE  QG1     4.68            #peak   988
 43 ILE  H      43 ILE  QG1     3.33            #peak    14
 43 ILE  HA     43 ILE  QG1     3.43            #peak   328
 43 ILE  HA     44 PRO  QG      4.29            #peak  1330
 43 ILE  QG1    44 PRO  HD2     4.83            #peak  1005
 44 PRO  QG     48 TRP  HA      5.35            #peak  1061
 44 PRO  QG     48 TRP  HB2     3.93            #peak  1067
 44 PRO  QG     48 TRP  HB3     4.54            #peak  1072
 44 PRO  QG     48 TRP  HD1     3.70            #peak  1355
 45 LYS  H      45 LYS  QB      3.43            #peak   178
 45 LYS  H      45 LYS  QG      4.24            #peak   176
 45 LYS  HA     45 LYS  QG      3.71            #peak  1031
 45 LYS  HA     45 LYS  QD      4.66            #peak  1251
 45 LYS  QB     45 LYS  QD      3.24            #peak   172
 46 GLY  QA     47 MET  H       3.02            #peak    31
 47 MET  H      47 MET  QB      3.36            #peak    32
 47 MET  QG     48 TRP  H       4.26            #peak  1058
 47 MET  QG     49 ILE  QG2     5.23            #peak  1365
 47 MET  QG     49 ILE  QG1     4.68            #peak  1055
 47 MET  QG     49 ILE  QD1     4.17            #peak  1054
 47 MET  QE     49 ILE  QG1     4.32            #peak  1351
 48 TRP  HA     49 ILE  QG1     5.04            #peak  1060
 49 ILE  HA     49 ILE  QG1     3.72            #peak  1086
 49 ILE  QG2    54 GLN  QG      3.49            #peak   588
 51 PRO  HA     54 GLN  QG      3.87            #peak  1244
 51 PRO  QB     52 ARG  H       3.89            #peak  1115
 52 ARG  H      52 ARG  QB      3.12            #peak    43
 52 ARG  H      52 ARG  QG      3.78            #peak   192
 52 ARG  HA     52 ARG  QG      3.56            #peak   411
 52 ARG  HA     52 ARG  QD      4.33            #peak   409
 52 ARG  QB     52 ARG  QD      3.30            #peak    60
 52 ARG  QB     53 CYSS H       3.73            #peak   195
 54 GLN  HA     54 GLN  QG      3.27            #peak   443
 55 ASP  H      55 ASP  QB      3.57            #peak    88
 56 GLN  H      56 GLN  QB      3.56            #peak   205
 56 GLN  H      56 GLN  QG      4.50            #peak  1156
  17  LYS PHI -142.1 -82.1
  17  LYS PSI 119.2 179.2
  20  GLN PHI -119.6 -59.6
  20  GLN PSI  91.2 151.2
  21  LEU PHI -129.6 -69.6
  21  LEU PSI  95.2 155.2
  22  LEU PHI -132.1 -72.1
  22  LEU PSI  94.1 154.1
  23  MET PHI -132.1 -72.1
  23  MET PSI  88.1 148.1


  30  VAL PHI -153.0 -93.0
  30  VAL PSI 123.0 183.0
  31  TYR PHI -151.8 -91.8
  31  TYR PSI 124.5 184.5
  33  LEU PHI -91.2 -31.2
  33  LEU PSI -62.9  -2.9
  34  ASP PHI -106.6 -46.6
  34  ASP PSI -37.5  22.5
  42  THR PHI -153.8 -93.8
  42  THR PSI 128.1 188.1
  43  ILE PHI -132.1 -72.1
  43  ILE PSI  89.8 149.8

  46  GLY PHI 40.0 120.0
  49  ILE PHI -140.4 -80.5
  49  ILE PSI  98.6 158.6
  52  ARG PHI -96.1 -36.1
  52  ARG PSI -69.1  -9.1
  54  GLN PHI -98.3 -38.3
  54  GLN PSI -54.8   5.2
27  CYSS  H   26  THR   H    2.50
24  CYSS  O   26  THR   H    2.50


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -17.810   9.831  23.369
    2    HA2  GLY   1           1HA      GLY   1 -18.020  10.522  20.583
    3    HA3  GLY   1           2HA      GLY   1 -16.541  10.166  21.463
    4    H    SER   2           H        SER   2 -15.740   8.892  19.770
    5    HA   SER   2           HA       SER   2 -16.599   6.146  19.868
    6    HB2  SER   2           1HB      SER   2 -17.303   5.852  17.656
    7    HB3  SER   2           2HB      SER   2 -18.049   7.387  18.103
    8    HG   SER   2           HG       SER   2 -16.472   8.468  16.972
    9    H    SER   3           H        SER   3 -15.053   4.703  19.054
   10    HA   SER   3           HA       SER   3 -12.398   5.406  19.330
   11    HB2  SER   3           1HB      SER   3 -13.605   3.125  17.750
   12    HB3  SER   3           2HB      SER   3 -11.891   3.259  18.143
   13    HG   SER   3           HG       SER   3 -12.463   3.202  20.348
   14    H    GLY   4           H        GLY   4 -14.287   5.107  16.336
   15    HA2  GLY   4           1HA      GLY   4 -13.900   5.889  14.213
   16    HA3  GLY   4           2HA      GLY   4 -13.028   7.198  14.998
   17    H    SER   5           H        SER   5 -12.315   3.721  14.849
   18    HA   SER   5           HA       SER   5  -9.876   4.351  13.334
   19    HB2  SER   5           1HB      SER   5  -9.742   2.232  15.433
   20    HB3  SER   5           2HB      SER   5  -8.467   3.279  14.810
   21    HG   SER   5           HG       SER   5 -10.618   4.238  16.383
   22    H    SER   6           H        SER   6  -8.987   2.565  12.144
   23    HA   SER   6           HA       SER   6 -10.770   0.265  11.792
   24    HB2  SER   6           1HB      SER   6 -10.170   2.362   9.798
   25    HB3  SER   6           2HB      SER   6 -10.042   0.703   9.212
   26    HG   SER   6           HG       SER   6 -12.228   2.098   9.505
   27    H    GLY   7           H        GLY   7  -9.755  -1.531  10.638
   28    HA2  GLY   7           1HA      GLY   7  -7.103  -1.986  11.570
   29    HA3  GLY   7           2HA      GLY   7  -8.036  -3.057  10.534
   30    H    HIS   8           H        HIS   8  -8.373  -1.924   8.235
   31    HA   HIS   8           HA       HIS   8  -5.654  -1.326   7.302
   32    HB2  HIS   8           1HB      HIS   8  -8.051  -2.264   5.712
   33    HB3  HIS   8           2HB      HIS   8  -6.409  -2.075   5.103
   34    HD2  HIS   8           HD2      HIS   8  -4.968  -4.362   5.196
   35    HE1  HIS   8           HE1      HIS   8  -7.306  -6.422   8.075
   36    HE2  HIS   8           HE2      HIS   8  -5.293  -6.532   6.565
   37    H    GLU   9           H        GLU   9  -5.331   0.296   5.682
   38    HA   GLU   9           HA       GLU   9  -6.828   2.674   6.193
   39    HB2  GLU   9           1HB      GLU   9  -4.830   2.290   3.970
   40    HB3  GLU   9           2HB      GLU   9  -5.262   3.783   4.791
   41    HG2  GLU   9           1HG      GLU   9  -4.213   2.986   6.833
   42    HG3  GLU   9           2HG      GLU   9  -3.810   1.463   6.042
   43    H    ASP  10           H        ASP  10  -7.285   4.054   4.045
   44    HA   ASP  10           HA       ASP  10  -8.713   2.410   2.092
   45    HB2  ASP  10           1HB      ASP  10 -10.000   4.697   3.600
   46    HB3  ASP  10           2HB      ASP  10 -10.737   3.787   2.284
   47    H    PHE  11           H        PHE  11  -6.289   4.136   2.139
   48    HA   PHE  11           HA       PHE  11  -6.959   5.701  -0.226
   49    HB2  PHE  11           1HB      PHE  11  -5.386   6.959   2.022
   50    HB3  PHE  11           2HB      PHE  11  -5.988   7.735   0.561
   51    HD1  PHE  11           HD2      PHE  11  -8.450   8.072   0.287
   52    HD2  PHE  11           HD1      PHE  11  -6.712   6.793   3.955
   53    HE1  PHE  11           HE2      PHE  11 -10.495   8.736   1.483
   54    HE2  PHE  11           HE1      PHE  11  -8.754   7.454   5.158
   55    HZ   PHE  11           HZ       PHE  11 -10.649   8.428   3.921
   56    H    CYS  12           H        CYS  12  -5.314   5.848  -1.694
   57    HA   CYS  12           HA       CYS  12  -3.316   3.945  -1.732
   58    HB2  CYS  12           1HB      CYS  12  -4.131   5.233  -3.704
   59    HB3  CYS  12           2HB      CYS  12  -3.223   6.627  -3.127
   60    H    SER  13           H        SER  13  -1.227   3.823  -1.081
   61    HA   SER  13           HA       SER  13  -0.318   5.892   0.770
   62    HB2  SER  13           1HB      SER  13  -0.275   3.154   0.946
   63    HB3  SER  13           2HB      SER  13   1.375   3.513   0.439
   64    HG   SER  13           HG       SER  13   1.190   5.185   2.225
   65    H    VAL  14           H        VAL  14  -0.251   6.537  -1.981
   66    HA   VAL  14           HA       VAL  14   2.592   7.100  -2.256
   67    HB   VAL  14           HB       VAL  14   1.028   5.789  -4.485
   68   HG11  VAL  14          1HG1      VAL  14   3.393   5.771  -5.516
   69   HG12  VAL  14          2HG1      VAL  14   2.465   7.272  -5.554
   70   HG13  VAL  14          3HG1      VAL  14   3.741   7.051  -4.355
   71   HG21  VAL  14          3HG2      VAL  14   3.353   4.765  -2.857
   72   HG22  VAL  14          1HG2      VAL  14   1.688   4.191  -2.769
   73   HG23  VAL  14          2HG2      VAL  14   2.628   3.947  -4.241
   74    H    CYS  15           H        CYS  15  -0.643   7.468  -3.672
   75    HA   CYS  15           HA       CYS  15   0.072  10.238  -4.380
   76    HB2  CYS  15           1HB      CYS  15  -1.579  10.126  -6.163
   77    HB3  CYS  15           2HB      CYS  15  -0.427   8.806  -6.335
   78    H    ARG  16           H        ARG  16  -2.107   8.164  -2.682
   79    HA   ARG  16           HA       ARG  16  -3.802   8.567  -1.221
   80    HB2  ARG  16           1HB      ARG  16  -2.180  11.023  -1.158
   81    HB3  ARG  16           2HB      ARG  16  -3.837  11.226  -0.606
   82    HG2  ARG  16           1HG      ARG  16  -3.549   9.851   1.209
   83    HG3  ARG  16           2HG      ARG  16  -2.223   8.961   0.458
   84    HD2  ARG  16           1HD      ARG  16  -2.086  11.812   1.433
   85    HD3  ARG  16           2HD      ARG  16  -1.461  10.408   2.297
   86    HE   ARG  16           HE       ARG  16  -0.356  10.535  -0.302
   87   HH11  ARG  16          1HH1      ARG  16  -0.186  12.063   2.822
   88   HH12  ARG  16          2HH1      ARG  16   1.461  12.567   2.630
   89   HH21  ARG  16          1HH2      ARG  16   1.812  11.194  -0.566
   90   HH22  ARG  16          2HH2      ARG  16   2.596  12.073   0.702
   91    H    LYS  17           H        LYS  17  -5.399   8.119  -2.777
   92    HA   LYS  17           HA       LYS  17  -6.986  10.461  -3.515
   93    HB2  LYS  17           1HB      LYS  17  -5.787   8.485  -5.397
   94    HB3  LYS  17           2HB      LYS  17  -7.410   9.068  -5.742
   95    HG2  LYS  17           1HG      LYS  17  -6.649  11.328  -5.863
   96    HG3  LYS  17           2HG      LYS  17  -5.044  10.870  -5.286
   97    HD2  LYS  17           1HD      LYS  17  -4.532  10.836  -7.479
   98    HD3  LYS  17           2HD      LYS  17  -5.295   9.245  -7.440
   99    HE2  LYS  17           1HE      LYS  17  -7.205  11.417  -7.782
  100    HE3  LYS  17           2HE      LYS  17  -6.004  11.351  -9.071
  101    HZ1  LYS  17           3HZ      LYS  17  -7.231   8.827  -8.282
  102    HZ2  LYS  17           1HZ      LYS  17  -6.777   9.378  -9.816
  103    HZ3  LYS  17           2HZ      LYS  17  -8.216   9.922  -9.115
  104    H    SER  18           H        SER  18  -9.122   9.543  -4.629
  105    HA   SER  18           HA       SER  18 -10.150   7.535  -2.750
  106    HB2  SER  18           1HB      SER  18 -12.325   8.468  -3.096
  107    HB3  SER  18           2HB      SER  18 -11.222   9.827  -2.879
  108    HG   SER  18           HG       SER  18 -11.880  10.491  -4.748
  109    H    GLY  19           H        GLY  19 -11.344   5.763  -3.450
  110    HA2  GLY  19           1HA      GLY  19 -12.499   4.911  -5.602
  111    HA3  GLY  19           2HA      GLY  19 -10.877   5.048  -6.265
  112    H    GLN  20           H        GLN  20 -11.150   2.742  -6.710
  113    HA   GLN  20           HA       GLN  20 -11.258   0.908  -4.501
  114    HB2  GLN  20           1HB      GLN  20 -10.986  -0.829  -6.173
  115    HB3  GLN  20           2HB      GLN  20 -12.182   0.339  -6.718
  116    HG2  GLN  20           1HG      GLN  20  -9.940   1.369  -7.818
  117    HG3  GLN  20           2HG      GLN  20  -9.563  -0.353  -7.844
  118   HE21  GLN  20          1HE2      GLN  20 -11.501   2.171  -9.147
  119   HE22  GLN  20          2HE2      GLN  20 -12.290   1.235 -10.365
  120    H    LEU  21           H        LEU  21  -9.616  -0.011  -3.423
  121    HA   LEU  21           HA       LEU  21  -6.886   0.373  -4.449
  122    HB2  LEU  21           1HB      LEU  21  -8.061   1.226  -1.895
  123    HB3  LEU  21           2HB      LEU  21  -6.513   0.394  -1.759
  124    HG   LEU  21           HG       LEU  21  -6.687   2.603  -3.728
  125   HD11  LEU  21          1HD1      LEU  21  -7.884   3.271  -1.526
  126   HD12  LEU  21          2HD1      LEU  21  -6.662   4.343  -2.211
  127   HD13  LEU  21          3HD1      LEU  21  -6.253   3.294  -0.853
  128   HD21  LEU  21          3HD2      LEU  21  -4.686   1.038  -2.878
  129   HD22  LEU  21          1HD2      LEU  21  -4.536   2.358  -1.718
  130   HD23  LEU  21          2HD2      LEU  21  -4.444   2.690  -3.448
  131    H    LEU  22           H        LEU  22  -5.392  -1.245  -3.947
  132    HA   LEU  22           HA       LEU  22  -6.546  -3.847  -3.538
  133    HB2  LEU  22           1HB      LEU  22  -4.545  -3.097  -5.052
  134    HB3  LEU  22           2HB      LEU  22  -3.603  -3.357  -3.585
  135    HG   LEU  22           HG       LEU  22  -4.348  -5.697  -3.536
  136   HD11  LEU  22          1HD1      LEU  22  -6.068  -4.744  -5.724
  137   HD12  LEU  22          2HD1      LEU  22  -6.323  -6.041  -4.557
  138   HD13  LEU  22          3HD1      LEU  22  -5.313  -6.318  -5.976
  139   HD21  LEU  22          3HD2      LEU  22  -2.659  -6.315  -4.872
  140   HD22  LEU  22          1HD2      LEU  22  -2.433  -4.584  -5.123
  141   HD23  LEU  22          2HD2      LEU  22  -3.360  -5.530  -6.288
  142    H    MET  23           H        MET  23  -5.895  -5.357  -1.915
  143    HA   MET  23           HA       MET  23  -4.941  -4.079   0.563
  144    HB2  MET  23           1HB      MET  23  -6.848  -6.413   0.438
  145    HB3  MET  23           2HB      MET  23  -6.423  -5.447   1.844
  146    HG2  MET  23           1HG      MET  23  -7.481  -3.486   0.698
  147    HG3  MET  23           2HG      MET  23  -8.068  -4.610  -0.526
  148    HE1  MET  23           3HE      MET  23  -9.927  -3.588   3.403
  149    HE2  MET  23           1HE      MET  23  -8.331  -3.091   2.838
  150    HE3  MET  23           2HE      MET  23  -9.772  -2.615   1.940
  151    H    CYS  24           H        CYS  24  -3.458  -5.171   1.802
  152    HA   CYS  24           HA       CYS  24  -2.022  -7.302   0.454
  153    HB2  CYS  24           1HB      CYS  24  -0.770  -5.436   1.449
  154    HB3  CYS  24           2HB      CYS  24  -1.414  -5.845   3.035
  155    H    ASP  25           H        ASP  25  -1.666  -9.355   1.269
  156    HA   ASP  25           HA       ASP  25  -3.669 -10.267   3.192
  157    HB2  ASP  25           1HB      ASP  25  -2.901 -11.320   0.805
  158    HB3  ASP  25           2HB      ASP  25  -1.900 -12.254   1.913
  159    H    THR  26           H        THR  26  -1.589  -8.789   4.305
  160    HA   THR  26           HA       THR  26  -0.563 -10.700   6.202
  161    HB   THR  26           HB       THR  26   1.715  -9.126   5.419
  162    HG1  THR  26           HG1      THR  26   0.806 -10.907   3.398
  163   HG21  THR  26          3HG2      THR  26   1.320 -12.108   5.221
  164   HG22  THR  26          1HG2      THR  26   1.627 -11.271   6.742
  165   HG23  THR  26          2HG2      THR  26   2.832 -11.232   5.454
  166    H    CYS  27           H        CYS  27   0.344  -7.423   5.114
  167    HA   CYS  27           HA       CYS  27   0.165  -6.486   7.867
  168    HB2  CYS  27           1HB      CYS  27   1.271  -4.484   7.084
  169    HB3  CYS  27           2HB      CYS  27   2.124  -5.888   6.450
  170    H    SER  28           H        SER  28  -0.521  -3.874   7.601
  171    HA   SER  28           HA       SER  28  -3.282  -3.999   6.574
  172    HB2  SER  28           1HB      SER  28  -3.470  -2.074   8.450
  173    HB3  SER  28           2HB      SER  28  -3.749  -3.781   8.797
  174    HG   SER  28           HG       SER  28  -2.141  -3.647  10.125
  175    H    ARG  29           H        ARG  29  -2.139  -3.215   4.581
  176    HA   ARG  29           HA       ARG  29  -2.232  -0.297   4.546
  177    HB2  ARG  29           1HB      ARG  29   0.053  -1.815   3.282
  178    HB3  ARG  29           2HB      ARG  29  -0.151  -0.070   3.359
  179    HG2  ARG  29           1HG      ARG  29  -0.149  -0.512   5.950
  180    HG3  ARG  29           2HG      ARG  29   0.712  -1.976   5.468
  181    HD2  ARG  29           1HD      ARG  29   2.567  -0.843   4.883
  182    HD3  ARG  29           2HD      ARG  29   1.651   0.491   4.183
  183    HE   ARG  29           HE       ARG  29   1.462   0.499   7.014
  184   HH11  ARG  29          1HH1      ARG  29   3.609   1.269   4.384
  185   HH12  ARG  29          2HH1      ARG  29   4.469   2.484   5.270
  186   HH21  ARG  29          1HH2      ARG  29   2.587   2.097   8.191
  187   HH22  ARG  29          2HH2      ARG  29   3.888   2.953   7.436
  188    H    VAL  30           H        VAL  30  -2.544   0.596   2.423
  189    HA   VAL  30           HA       VAL  30  -3.557  -1.365   0.467
  190    HB   VAL  30           HB       VAL  30  -5.238   0.310  -0.222
  191   HG11  VAL  30          1HG1      VAL  30  -5.333  -0.467   2.691
  192   HG12  VAL  30          2HG1      VAL  30  -6.717   0.053   1.728
  193   HG13  VAL  30          3HG1      VAL  30  -5.875  -1.444   1.327
  194   HG21  VAL  30          3HG2      VAL  30  -4.785   2.430   0.345
  195   HG22  VAL  30          1HG2      VAL  30  -5.508   2.019   1.901
  196   HG23  VAL  30          2HG2      VAL  30  -3.757   1.946   1.695
  197    H    TYR  31           H        TYR  31  -3.155  -0.977  -1.694
  198    HA   TYR  31           HA       TYR  31  -1.698   1.435  -2.447
  199    HB2  TYR  31           1HB      TYR  31  -0.603  -1.326  -3.016
  200    HB3  TYR  31           2HB      TYR  31   0.122   0.207  -3.485
  201    HD1  TYR  31           HD1      TYR  31   1.068   1.707  -1.732
  202    HD2  TYR  31           HD2      TYR  31  -0.274  -2.232  -0.843
  203    HE1  TYR  31           HE1      TYR  31   2.333   1.758   0.377
  204    HE2  TYR  31           HE2      TYR  31   0.986  -2.191   1.269
  205    HH   TYR  31           HH       TYR  31   3.180   0.421   2.049
  206    H    HIS  32           H        HIS  32  -2.180   2.117  -4.453
  207    HA   HIS  32           HA       HIS  32  -4.347   1.066  -5.859
  208    HB2  HIS  32           1HB      HIS  32  -2.232   3.081  -6.453
  209    HB3  HIS  32           2HB      HIS  32  -3.205   2.491  -7.797
  210    HD2  HIS  32           HD2      HIS  32  -5.992   2.415  -5.756
  211    HE1  HIS  32           HE1      HIS  32  -5.408   6.611  -5.988
  212    HE2  HIS  32           HE2      HIS  32  -6.992   4.764  -5.338
  213    H    LEU  33           H        LEU  33  -3.999   0.679  -8.400
  214    HA   LEU  33           HA       LEU  33  -2.433  -1.773  -8.538
  215    HB2  LEU  33           1HB      LEU  33  -4.621  -0.560 -10.163
  216    HB3  LEU  33           2HB      LEU  33  -3.583  -1.783 -10.892
  217    HG   LEU  33           HG       LEU  33  -5.211  -2.194  -8.385
  218   HD11  LEU  33          1HD1      LEU  33  -5.809  -3.374 -11.074
  219   HD12  LEU  33          2HD1      LEU  33  -6.473  -1.814 -10.587
  220   HD13  LEU  33          3HD1      LEU  33  -6.847  -3.262  -9.652
  221   HD21  LEU  33          3HD2      LEU  33  -4.054  -4.069  -8.139
  222   HD22  LEU  33          1HD2      LEU  33  -3.053  -3.635  -9.525
  223   HD23  LEU  33          2HD2      LEU  33  -4.521  -4.584  -9.761
  224    H    ASP  34           H        ASP  34  -2.385   1.481  -9.716
  225    HA   ASP  34           HA       ASP  34  -0.241   0.843 -11.614
  226    HB2  ASP  34           1HB      ASP  34  -1.911   3.333 -11.227
  227    HB3  ASP  34           2HB      ASP  34  -0.554   3.233 -12.346
  228    H    CYS  35           H        CYS  35  -0.814   2.196  -8.520
  229    HA   CYS  35           HA       CYS  35   1.788   3.539  -8.475
  230    HB2  CYS  35           1HB      CYS  35  -0.283   3.484  -6.277
  231    HB3  CYS  35           2HB      CYS  35   1.071   4.596  -6.451
  232    H    LEU  36           H        LEU  36   2.392   1.043  -8.714
  233    HA   LEU  36           HA       LEU  36   2.948   0.065  -5.991
  234    HB2  LEU  36           1HB      LEU  36   2.241  -1.414  -8.496
  235    HB3  LEU  36           2HB      LEU  36   3.160  -2.203  -7.216
  236    HG   LEU  36           HG       LEU  36   0.389  -1.038  -6.946
  237   HD11  LEU  36          1HD1      LEU  36   1.340  -3.586  -7.867
  238   HD12  LEU  36          2HD1      LEU  36  -0.311  -2.975  -7.765
  239   HD13  LEU  36          3HD1      LEU  36   0.419  -3.777  -6.374
  240   HD21  LEU  36          3HD2      LEU  36   0.543  -2.388  -4.756
  241   HD22  LEU  36          1HD2      LEU  36   1.331  -0.812  -4.832
  242   HD23  LEU  36          2HD2      LEU  36   2.288  -2.284  -4.992
  243    H    ASP  37           H        ASP  37   4.834  -1.716  -6.275
  244    HA   ASP  37           HA       ASP  37   6.902  -0.780  -8.092
  245    HB2  ASP  37           1HB      ASP  37   7.083   0.640  -6.032
  246    HB3  ASP  37           2HB      ASP  37   7.398  -0.828  -5.110
  247    HA   PRO  38           HA       PRO  38   7.479  -1.686  -9.637
  248    HB2  PRO  38           1HB      PRO  38   6.705  -3.583 -11.418
  249    HB3  PRO  38           2HB      PRO  38   8.379  -3.395 -10.881
  250    HG2  PRO  38           1HG      PRO  38   6.300  -5.339  -9.955
  251    HG3  PRO  38           2HG      PRO  38   8.015  -5.618 -10.304
  252    HD2  PRO  38           1HD      PRO  38   7.072  -5.319  -7.784
  253    HD3  PRO  38           2HD      PRO  38   8.696  -4.786  -8.266
  254    HA   PRO  39           HA       PRO  39   3.213  -0.710 -10.071
  255    HB2  PRO  39           1HB      PRO  39   2.999  -0.091 -12.705
  256    HB3  PRO  39           2HB      PRO  39   3.828   0.947 -11.539
  257    HG2  PRO  39           1HG      PRO  39   4.981  -1.019 -13.479
  258    HG3  PRO  39           2HG      PRO  39   5.542   0.614 -13.074
  259    HD2  PRO  39           1HD      PRO  39   6.687  -1.615 -12.049
  260    HD3  PRO  39           2HD      PRO  39   6.593  -0.089 -11.147
  261    H    LEU  40           H        LEU  40   1.188  -1.451 -10.802
  262    HA   LEU  40           HA       LEU  40   1.263  -4.030 -12.226
  263    HB2  LEU  40           1HB      LEU  40  -0.042  -3.202  -9.735
  264    HB3  LEU  40           2HB      LEU  40  -1.091  -4.078 -10.848
  265    HG   LEU  40           HG       LEU  40   1.524  -5.078  -9.721
  266   HD11  LEU  40          1HD1      LEU  40  -0.865  -6.601  -9.133
  267   HD12  LEU  40          2HD1      LEU  40  -0.965  -4.954  -8.512
  268   HD13  LEU  40          3HD1      LEU  40   0.383  -5.991  -8.046
  269   HD21  LEU  40          3HD2      LEU  40  -0.418  -6.216 -11.704
  270   HD22  LEU  40          1HD2      LEU  40   0.614  -7.257 -10.723
  271   HD23  LEU  40          2HD2      LEU  40   1.338  -6.081 -11.820
  272    H    LYS  41           H        LYS  41  -1.153  -4.543 -12.963
  273    HA   LYS  41           HA       LYS  41  -2.355  -2.142 -14.137
  274    HB2  LYS  41           1HB      LYS  41  -0.851  -3.056 -15.839
  275    HB3  LYS  41           2HB      LYS  41  -1.617  -4.632 -15.687
  276    HG2  LYS  41           1HG      LYS  41  -3.267  -4.073 -17.069
  277    HG3  LYS  41           2HG      LYS  41  -3.530  -2.526 -16.261
  278    HD2  LYS  41           1HD      LYS  41  -1.865  -1.458 -17.553
  279    HD3  LYS  41           2HD      LYS  41  -1.223  -2.996 -18.134
  280    HE2  LYS  41           1HE      LYS  41  -2.995  -3.323 -19.600
  281    HE3  LYS  41           2HE      LYS  41  -4.051  -2.214 -18.726
  282    HZ1  LYS  41           3HZ      LYS  41  -3.495  -0.769 -20.312
  283    HZ2  LYS  41           1HZ      LYS  41  -2.161  -1.674 -20.825
  284    HZ3  LYS  41           2HZ      LYS  41  -2.013  -0.621 -19.510
  285    H    THR  42           H        THR  42  -2.839  -5.650 -14.511
  286    HA   THR  42           HA       THR  42  -5.680  -5.277 -13.952
  287    HB   THR  42           HB       THR  42  -6.027  -7.483 -14.827
  288    HG1  THR  42           HG1      THR  42  -3.264  -7.857 -15.259
  289   HG21  THR  42          3HG2      THR  42  -5.306  -7.209 -17.071
  290   HG22  THR  42          1HG2      THR  42  -3.903  -6.261 -16.580
  291   HG23  THR  42          2HG2      THR  42  -5.523  -5.582 -16.425
  292    H    ILE  43           H        ILE  43  -6.470  -7.633 -12.923
  293    HA   ILE  43           HA       ILE  43  -5.742  -7.391 -10.178
  294    HB   ILE  43           HB       ILE  43  -7.373  -9.548 -11.525
  295   HG12  ILE  43          1HG1      ILE  43  -8.346  -7.340 -11.881
  296   HG13  ILE  43          2HG1      ILE  43  -9.318  -8.247 -10.727
  297   HG21  ILE  43          1HG2      ILE  43  -8.102  -9.047  -8.813
  298   HG22  ILE  43          2HG2      ILE  43  -7.519 -10.540  -9.547
  299   HG23  ILE  43          3HG2      ILE  43  -6.371  -9.372  -8.894
  300   HD11  ILE  43          3HD1      ILE  43  -9.199  -6.107  -9.831
  301   HD12  ILE  43          1HD1      ILE  43  -7.986  -7.014  -8.928
  302   HD13  ILE  43          2HD1      ILE  43  -7.491  -5.932 -10.231
  303    HA   PRO  44           HA       PRO  44  -2.195 -10.105 -10.530
  304    HB2  PRO  44           1HB      PRO  44  -1.396  -9.792  -7.954
  305    HB3  PRO  44           2HB      PRO  44  -1.081  -8.589  -9.210
  306    HG2  PRO  44           1HG      PRO  44  -3.226  -8.632  -7.123
  307    HG3  PRO  44           2HG      PRO  44  -2.222  -7.276  -7.667
  308    HD2  PRO  44           1HD      PRO  44  -4.769  -7.633  -8.513
  309    HD3  PRO  44           2HD      PRO  44  -3.516  -6.904  -9.538
  310    H    LYS  45           H        LYS  45  -3.513 -11.998 -10.792
  311    HA   LYS  45           HA       LYS  45  -4.976 -13.309  -8.853
  312    HB2  LYS  45           1HB      LYS  45  -4.476 -15.394 -10.132
  313    HB3  LYS  45           2HB      LYS  45  -5.034 -14.061 -11.133
  314    HG2  LYS  45           1HG      LYS  45  -2.752 -13.602 -11.831
  315    HG3  LYS  45           2HG      LYS  45  -2.161 -14.899 -10.788
  316    HD2  LYS  45           1HD      LYS  45  -3.946 -16.292 -12.195
  317    HD3  LYS  45           2HD      LYS  45  -3.586 -15.041 -13.387
  318    HE2  LYS  45           1HE      LYS  45  -1.117 -15.863 -12.319
  319    HE3  LYS  45           2HE      LYS  45  -2.037 -17.334 -12.634
  320    HZ1  LYS  45           3HZ      LYS  45  -2.465 -16.404 -14.902
  321    HZ2  LYS  45           1HZ      LYS  45  -0.854 -16.820 -14.595
  322    HZ3  LYS  45           2HZ      LYS  45  -1.329 -15.197 -14.562
  323    H    GLY  46           H        GLY  46  -4.428 -15.331  -7.683
  324    HA2  GLY  46           1HA      GLY  46  -3.111 -16.585  -6.265
  325    HA3  GLY  46           2HA      GLY  46  -1.697 -15.908  -7.058
  326    H    MET  47           H        MET  47  -1.877 -16.373  -4.287
  327    HA   MET  47           HA       MET  47  -2.647 -14.254  -2.696
  328    HB2  MET  47           1HB      MET  47  -1.863 -16.353  -1.759
  329    HB3  MET  47           2HB      MET  47  -0.246 -16.064  -2.387
  330    HG2  MET  47           1HG      MET  47   0.308 -14.712  -0.694
  331    HG3  MET  47           2HG      MET  47  -1.272 -13.933  -0.666
  332    HE1  MET  47           3HE      MET  47   0.961 -15.573   1.735
  333    HE2  MET  47           1HE      MET  47  -0.007 -14.107   1.894
  334    HE3  MET  47           2HE      MET  47  -0.315 -15.486   2.950
  335    H    TRP  48           H        TRP  48  -2.249 -12.191  -3.250
  336    HA   TRP  48           HA       TRP  48   0.402 -11.420  -4.189
  337    HB2  TRP  48           1HB      TRP  48  -1.621 -10.562  -5.345
  338    HB3  TRP  48           2HB      TRP  48  -2.090  -9.735  -3.863
  339    HD1  TRP  48           HD1      TRP  48   0.512  -9.580  -6.678
  340    HE1  TRP  48           HE1      TRP  48   1.573  -7.235  -6.680
  341    HE3  TRP  48           HE3      TRP  48  -1.595  -7.732  -2.403
  342    HZ2  TRP  48           HZ2      TRP  48   1.524  -4.910  -5.081
  343    HZ3  TRP  48           HZ3      TRP  48  -1.036  -5.438  -1.708
  344    HH2  TRP  48           HH2      TRP  48   0.492  -4.058  -3.021
  345    H    ILE  49           H        ILE  49   1.742  -9.972  -3.138
  346    HA   ILE  49           HA       ILE  49   0.946  -9.072  -0.464
  347    HB   ILE  49           HB       ILE  49   3.589 -10.422  -1.019
  348   HG12  ILE  49          1HG1      ILE  49   1.191 -11.429   0.529
  349   HG13  ILE  49          2HG1      ILE  49   1.725 -12.031  -1.037
  350   HG21  ILE  49          1HG2      ILE  49   2.366  -9.441   1.557
  351   HG22  ILE  49          2HG2      ILE  49   3.913 -10.271   1.394
  352   HG23  ILE  49          3HG2      ILE  49   3.691  -8.672   0.684
  353   HD11  ILE  49          3HD1      ILE  49   2.536 -12.840   1.558
  354   HD12  ILE  49          1HD1      ILE  49   3.020 -13.491  -0.008
  355   HD13  ILE  49          2HD1      ILE  49   3.933 -12.167   0.717
  356    H    CYS  50           H        CYS  50   1.450  -7.010  -0.118
  357    HA   CYS  50           HA       CYS  50   2.495  -5.319  -2.033
  358    HB2  CYS  50           1HB      CYS  50   2.581  -3.631  -0.347
  359    HB3  CYS  50           2HB      CYS  50   1.212  -4.668   0.042
  360    HA   PRO  51           HA       PRO  51   6.859  -5.790  -2.015
  361    HB2  PRO  51           1HB      PRO  51   7.659  -3.251  -2.552
  362    HB3  PRO  51           2HB      PRO  51   6.905  -4.297  -3.761
  363    HG2  PRO  51           1HG      PRO  51   5.679  -2.124  -2.107
  364    HG3  PRO  51           2HG      PRO  51   5.449  -2.485  -3.828
  365    HD2  PRO  51           1HD      PRO  51   3.662  -3.226  -1.933
  366    HD3  PRO  51           2HD      PRO  51   3.950  -4.182  -3.401
  367    H    ARG  52           H        ARG  52   5.282  -3.764   0.249
  368    HA   ARG  52           HA       ARG  52   7.633  -2.909   1.659
  369    HB2  ARG  52           1HB      ARG  52   4.815  -2.374   1.754
  370    HB3  ARG  52           2HB      ARG  52   5.381  -2.785   3.367
  371    HG2  ARG  52           1HG      ARG  52   6.912  -0.809   1.745
  372    HG3  ARG  52           2HG      ARG  52   5.414  -0.315   2.537
  373    HD2  ARG  52           1HD      ARG  52   7.180   0.186   4.039
  374    HD3  ARG  52           2HD      ARG  52   6.364  -1.243   4.672
  375    HE   ARG  52           HE       ARG  52   8.318  -2.388   4.429
  376   HH11  ARG  52          1HH1      ARG  52   8.404   0.402   2.348
  377   HH12  ARG  52          2HH1      ARG  52  10.043   0.141   1.849
  378   HH21  ARG  52          1HH2      ARG  52  10.476  -2.743   3.778
  379   HH22  ARG  52          2HH2      ARG  52  11.219  -1.649   2.662
  380    H    CYS  53           H        CYS  53   5.577  -5.685   1.691
  381    HA   CYS  53           HA       CYS  53   6.444  -6.571   4.311
  382    HB2  CYS  53           1HB      CYS  53   4.567  -7.610   2.224
  383    HB3  CYS  53           2HB      CYS  53   5.179  -8.715   3.451
  384    H    GLN  54           H        GLN  54   6.755  -7.770   0.968
  385    HA   GLN  54           HA       GLN  54   8.434  -9.909   1.435
  386    HB2  GLN  54           1HB      GLN  54   8.405  -8.031  -0.932
  387    HB3  GLN  54           2HB      GLN  54   9.224  -9.586  -0.904
  388    HG2  GLN  54           1HG      GLN  54   6.514  -9.943  -0.087
  389    HG3  GLN  54           2HG      GLN  54   6.555  -9.033  -1.597
  390   HE21  GLN  54          1HE2      GLN  54   6.195 -10.375  -3.208
  391   HE22  GLN  54          2HE2      GLN  54   6.914 -11.931  -3.418
  392    H    ASP  55           H        ASP  55   9.175  -6.501   1.366
  393    HA   ASP  55           HA       ASP  55  12.044  -7.023   1.523
  394    HB2  ASP  55           1HB      ASP  55  10.364  -4.741   0.775
  395    HB3  ASP  55           2HB      ASP  55  11.734  -4.301   1.790
  396    H    GLN  56           H        GLN  56  13.299  -5.789   3.183
  397    HA   GLN  56           HA       GLN  56  12.115  -6.266   5.785
  398    HB2  GLN  56           1HB      GLN  56  14.898  -5.422   4.967
  399    HB3  GLN  56           2HB      GLN  56  14.402  -5.727   6.627
  400    HG2  GLN  56           1HG      GLN  56  13.644  -8.038   5.565
  401    HG3  GLN  56           2HG      GLN  56  14.915  -7.625   4.416
  402   HE21  GLN  56          1HE2      GLN  56  14.586  -9.650   6.667
  403   HE22  GLN  56          2HE2      GLN  56  16.050  -9.497   7.571
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -7.758   2.810  19.869
    2    HA2  GLY   1           1HA      GLY   1  -5.806   4.951  20.347
    3    HA3  GLY   1           2HA      GLY   1  -5.333   3.595  19.334
    4    H    SER   2           H        SER   2  -5.304   6.202  18.393
    5    HA   SER   2           HA       SER   2  -7.706   6.803  16.956
    6    HB2  SER   2           1HB      SER   2  -5.281   8.031  15.893
    7    HB3  SER   2           2HB      SER   2  -6.715   8.790  16.586
    8    HG   SER   2           HG       SER   2  -4.534   8.934  17.713
    9    H    SER   3           H        SER   3  -4.462   5.735  15.931
   10    HA   SER   3           HA       SER   3  -5.726   4.444  13.607
   11    HB2  SER   3           1HB      SER   3  -3.584   6.462  13.671
   12    HB3  SER   3           2HB      SER   3  -3.227   5.053  12.672
   13    HG   SER   3           HG       SER   3  -5.692   6.416  12.476
   14    H    GLY   4           H        GLY   4  -5.580   2.336  14.083
   15    HA2  GLY   4           1HA      GLY   4  -2.898   1.250  14.575
   16    HA3  GLY   4           2HA      GLY   4  -4.185   0.835  15.698
   17    H    SER   5           H        SER   5  -5.634  -0.731  15.169
   18    HA   SER   5           HA       SER   5  -5.437  -1.894  12.473
   19    HB2  SER   5           1HB      SER   5  -5.651  -3.512  15.021
   20    HB3  SER   5           2HB      SER   5  -5.448  -4.131  13.382
   21    HG   SER   5           HG       SER   5  -3.384  -3.401  13.351
   22    H    SER   6           H        SER   6  -7.393  -0.104  13.108
   23    HA   SER   6           HA       SER   6  -9.752  -1.291  14.149
   24    HB2  SER   6           1HB      SER   6  -9.976   0.980  14.250
   25    HB3  SER   6           2HB      SER   6  -9.052   1.243  12.772
   26    HG   SER   6           HG       SER   6 -11.673   1.259  13.061
   27    H    GLY   7           H        GLY   7  -9.160  -0.189  10.805
   28    HA2  GLY   7           1HA      GLY   7 -10.203  -2.690   9.758
   29    HA3  GLY   7           2HA      GLY   7 -11.206  -1.278   9.464
   30    H    HIS   8           H        HIS   8  -7.673  -1.470   9.491
   31    HA   HIS   8           HA       HIS   8  -6.112  -0.958   7.917
   32    HB2  HIS   8           1HB      HIS   8  -8.253  -2.003   6.053
   33    HB3  HIS   8           2HB      HIS   8  -6.585  -1.686   5.585
   34    HD2  HIS   8           HD2      HIS   8  -5.145  -3.960   5.619
   35    HE1  HIS   8           HE1      HIS   8  -7.271  -5.997   8.673
   36    HE2  HIS   8           HE2      HIS   8  -5.320  -6.085   7.083
   37    H    GLU   9           H        GLU   9  -5.836   0.311   5.723
   38    HA   GLU   9           HA       GLU   9  -7.103   2.878   6.167
   39    HB2  GLU   9           1HB      GLU   9  -5.111   2.196   4.009
   40    HB3  GLU   9           2HB      GLU   9  -5.472   3.778   4.686
   41    HG2  GLU   9           1HG      GLU   9  -4.561   2.970   6.863
   42    HG3  GLU   9           2HG      GLU   9  -4.047   1.501   6.035
   43    H    ASP  10           H        ASP  10  -7.305   4.051   3.776
   44    HA   ASP  10           HA       ASP  10  -8.784   2.385   1.927
   45    HB2  ASP  10           1HB      ASP  10 -10.105   4.448   3.666
   46    HB3  ASP  10           2HB      ASP  10 -10.743   4.088   2.064
   47    H    PHE  11           H        PHE  11  -6.396   4.161   2.006
   48    HA   PHE  11           HA       PHE  11  -7.038   5.675  -0.399
   49    HB2  PHE  11           1HB      PHE  11  -5.544   6.999   1.864
   50    HB3  PHE  11           2HB      PHE  11  -6.129   7.740   0.378
   51    HD1  PHE  11           HD1      PHE  11  -8.567   8.079   0.053
   52    HD2  PHE  11           HD2      PHE  11  -6.932   6.778   3.761
   53    HE1  PHE  11           HE1      PHE  11 -10.651   8.720   1.192
   54    HE2  PHE  11           HE2      PHE  11  -9.015   7.415   4.906
   55    HZ   PHE  11           HZ       PHE  11 -10.878   8.387   3.622
   56    H    CYS  12           H        CYS  12  -5.366   5.819  -1.832
   57    HA   CYS  12           HA       CYS  12  -3.327   3.960  -1.784
   58    HB2  CYS  12           1HB      CYS  12  -4.136   5.212  -3.795
   59    HB3  CYS  12           2HB      CYS  12  -3.231   6.614  -3.231
   60    H    SER  13           H        SER  13  -1.258   3.892  -1.073
   61    HA   SER  13           HA       SER  13  -0.433   6.021   0.749
   62    HB2  SER  13           1HB      SER  13  -0.348   3.294   1.000
   63    HB3  SER  13           2HB      SER  13   1.305   3.658   0.505
   64    HG   SER  13           HG       SER  13   1.511   4.060   2.572
   65    H    VAL  14           H        VAL  14  -0.309   6.630  -1.998
   66    HA   VAL  14           HA       VAL  14   2.525   7.239  -2.221
   67    HB   VAL  14           HB       VAL  14   1.047   5.815  -4.439
   68   HG11  VAL  14          1HG1      VAL  14   3.794   7.045  -4.328
   69   HG12  VAL  14          2HG1      VAL  14   3.286   5.899  -5.569
   70   HG13  VAL  14          3HG1      VAL  14   2.469   7.455  -5.417
   71   HG21  VAL  14          3HG2      VAL  14   3.349   4.954  -2.691
   72   HG22  VAL  14          1HG2      VAL  14   1.730   4.258  -2.737
   73   HG23  VAL  14          2HG2      VAL  14   2.803   4.086  -4.126
   74    H    CYS  15           H        CYS  15  -0.678   7.495  -3.730
   75    HA   CYS  15           HA       CYS  15  -0.008  10.263  -4.490
   76    HB2  CYS  15           1HB      CYS  15  -1.609  10.068  -6.310
   77    HB3  CYS  15           2HB      CYS  15  -0.424   8.770  -6.420
   78    H    ARG  16           H        ARG  16  -2.171   8.186  -2.780
   79    HA   ARG  16           HA       ARG  16  -3.896   8.593  -1.355
   80    HB2  ARG  16           1HB      ARG  16  -3.154  11.513  -1.526
   81    HB3  ARG  16           2HB      ARG  16  -3.986  10.689  -0.214
   82    HG2  ARG  16           1HG      ARG  16  -1.539   9.360  -0.529
   83    HG3  ARG  16           2HG      ARG  16  -1.181  11.086  -0.621
   84    HD2  ARG  16           1HD      ARG  16  -2.732  11.236   1.466
   85    HD3  ARG  16           2HD      ARG  16  -2.389   9.513   1.616
   86    HE   ARG  16           HE       ARG  16   0.068  10.630   1.349
   87   HH11  ARG  16          1HH1      ARG  16  -2.631  11.214   3.469
   88   HH12  ARG  16          2HH1      ARG  16  -1.646  11.748   4.790
   89   HH21  ARG  16          1HH2      ARG  16   1.376  11.332   3.080
   90   HH22  ARG  16          2HH2      ARG  16   0.634  11.816   4.567
   91    H    LYS  17           H        LYS  17  -5.340   7.992  -3.070
   92    HA   LYS  17           HA       LYS  17  -7.099  10.201  -3.829
   93    HB2  LYS  17           1HB      LYS  17  -5.417   8.729  -5.659
   94    HB3  LYS  17           2HB      LYS  17  -7.114   8.475  -6.046
   95    HG2  LYS  17           1HG      LYS  17  -6.154  11.249  -5.553
   96    HG3  LYS  17           2HG      LYS  17  -5.773  10.466  -7.089
   97    HD2  LYS  17           1HD      LYS  17  -8.230   9.954  -7.309
   98    HD3  LYS  17           2HD      LYS  17  -8.496  11.002  -5.914
   99    HE2  LYS  17           1HE      LYS  17  -7.045  11.913  -8.387
  100    HE3  LYS  17           2HE      LYS  17  -8.791  12.062  -8.197
  101    HZ1  LYS  17           3HZ      LYS  17  -7.377  13.074  -5.933
  102    HZ2  LYS  17           1HZ      LYS  17  -8.541  13.830  -6.900
  103    HZ3  LYS  17           2HZ      LYS  17  -6.913  13.860  -7.358
  104    H    SER  18           H        SER  18  -9.224   9.415  -4.629
  105    HA   SER  18           HA       SER  18 -10.116   7.219  -2.966
  106    HB2  SER  18           1HB      SER  18 -12.143   8.220  -3.025
  107    HB3  SER  18           2HB      SER  18 -11.271   9.592  -3.710
  108    HG   SER  18           HG       SER  18 -12.774   9.245  -5.203
  109    H    GLY  19           H        GLY  19 -11.997   5.873  -4.099
  110    HA2  GLY  19           1HA      GLY  19 -12.637   4.793  -6.192
  111    HA3  GLY  19           2HA      GLY  19 -10.955   4.910  -6.689
  112    H    GLN  20           H        GLN  20 -10.761   2.704  -7.079
  113    HA   GLN  20           HA       GLN  20 -11.207   0.874  -4.849
  114    HB2  GLN  20           1HB      GLN  20 -10.829   0.574  -7.788
  115    HB3  GLN  20           2HB      GLN  20 -10.344  -0.767  -6.758
  116    HG2  GLN  20           1HG      GLN  20 -12.536  -1.046  -5.926
  117    HG3  GLN  20           2HG      GLN  20 -13.068   0.486  -6.616
  118   HE21  GLN  20          1HE2      GLN  20 -13.965   0.472  -8.567
  119   HE22  GLN  20          2HE2      GLN  20 -13.990  -0.875  -9.648
  120    H    LEU  21           H        LEU  21  -9.620  -0.055  -3.690
  121    HA   LEU  21           HA       LEU  21  -6.843   0.335  -4.577
  122    HB2  LEU  21           1HB      LEU  21  -8.150   1.195  -2.091
  123    HB3  LEU  21           2HB      LEU  21  -6.607   0.372  -1.872
  124    HG   LEU  21           HG       LEU  21  -6.745   2.606  -3.834
  125   HD11  LEU  21          1HD1      LEU  21  -7.901   3.181  -1.553
  126   HD12  LEU  21          2HD1      LEU  21  -6.760   4.302  -2.294
  127   HD13  LEU  21          3HD1      LEU  21  -6.238   3.257  -0.972
  128   HD21  LEU  21          3HD2      LEU  21  -4.566   2.393  -1.887
  129   HD22  LEU  21          1HD2      LEU  21  -4.511   2.577  -3.640
  130   HD23  LEU  21          2HD2      LEU  21  -4.756   0.981  -2.929
  131    H    LEU  22           H        LEU  22  -5.364  -1.268  -3.968
  132    HA   LEU  22           HA       LEU  22  -6.557  -3.867  -3.544
  133    HB2  LEU  22           1HB      LEU  22  -4.591  -3.196  -5.120
  134    HB3  LEU  22           2HB      LEU  22  -3.611  -3.382  -3.667
  135    HG   LEU  22           HG       LEU  22  -4.330  -5.721  -3.491
  136   HD11  LEU  22          1HD1      LEU  22  -6.406  -5.959  -4.422
  137   HD12  LEU  22          2HD1      LEU  22  -5.401  -6.579  -5.731
  138   HD13  LEU  22          3HD1      LEU  22  -6.029  -4.932  -5.805
  139   HD21  LEU  22          3HD2      LEU  22  -2.283  -5.296  -4.656
  140   HD22  LEU  22          1HD2      LEU  22  -3.150  -4.892  -6.138
  141   HD23  LEU  22          2HD2      LEU  22  -3.163  -6.549  -5.532
  142    H    MET  23           H        MET  23  -5.893  -5.345  -1.897
  143    HA   MET  23           HA       MET  23  -4.887  -4.018   0.535
  144    HB2  MET  23           1HB      MET  23  -6.801  -6.348   0.508
  145    HB3  MET  23           2HB      MET  23  -6.362  -5.328   1.871
  146    HG2  MET  23           1HG      MET  23  -7.477  -3.428   0.784
  147    HG3  MET  23           2HG      MET  23  -7.955  -4.489  -0.539
  148    HE1  MET  23           3HE      MET  23  -9.843  -3.089   2.817
  149    HE2  MET  23           1HE      MET  23  -9.213  -4.435   3.767
  150    HE3  MET  23           2HE      MET  23  -8.105  -3.387   2.881
  151    H    CYS  24           H        CYS  24  -3.460  -5.150   1.841
  152    HA   CYS  24           HA       CYS  24  -2.011  -7.277   0.495
  153    HB2  CYS  24           1HB      CYS  24  -0.768  -5.411   1.514
  154    HB3  CYS  24           2HB      CYS  24  -1.420  -5.842   3.092
  155    H    ASP  25           H        ASP  25  -1.662  -9.331   1.319
  156    HA   ASP  25           HA       ASP  25  -3.700 -10.242   3.205
  157    HB2  ASP  25           1HB      ASP  25  -2.938 -11.298   0.841
  158    HB3  ASP  25           2HB      ASP  25  -1.882 -12.200   1.924
  159    H    THR  26           H        THR  26  -1.620  -8.758   4.337
  160    HA   THR  26           HA       THR  26  -0.649 -10.655   6.276
  161    HB   THR  26           HB       THR  26   1.671  -9.142   5.536
  162    HG1  THR  26           HG1      THR  26   1.969  -9.793   3.453
  163   HG21  THR  26          3HG2      THR  26   1.551 -11.277   6.829
  164   HG22  THR  26          1HG2      THR  26   2.724 -11.301   5.513
  165   HG23  THR  26          2HG2      THR  26   1.169 -12.110   5.322
  166    H    CYS  27           H        CYS  27   0.342  -7.413   5.162
  167    HA   CYS  27           HA       CYS  27   0.140  -6.430   7.894
  168    HB2  CYS  27           1HB      CYS  27   1.275  -4.457   7.097
  169    HB3  CYS  27           2HB      CYS  27   2.108  -5.874   6.464
  170    H    SER  28           H        SER  28  -0.526  -3.820   7.593
  171    HA   SER  28           HA       SER  28  -3.277  -3.930   6.538
  172    HB2  SER  28           1HB      SER  28  -2.205  -2.649   9.051
  173    HB3  SER  28           2HB      SER  28  -3.761  -2.193   8.357
  174    HG   SER  28           HG       SER  28  -3.005  -4.520   9.661
  175    H    ARG  29           H        ARG  29  -2.113  -3.153   4.559
  176    HA   ARG  29           HA       ARG  29  -2.198  -0.238   4.513
  177    HB2  ARG  29           1HB      ARG  29   0.116  -1.700   3.250
  178    HB3  ARG  29           2HB      ARG  29  -0.083   0.034   3.462
  179    HG2  ARG  29           1HG      ARG  29   0.206  -0.171   5.840
  180    HG3  ARG  29           2HG      ARG  29   0.244  -1.931   5.718
  181    HD2  ARG  29           1HD      ARG  29   2.486  -1.489   5.798
  182    HD3  ARG  29           2HD      ARG  29   2.224  -1.435   4.055
  183    HE   ARG  29           HE       ARG  29   1.852   1.133   4.814
  184   HH11  ARG  29          1HH1      ARG  29   4.398  -1.177   5.362
  185   HH12  ARG  29          2HH1      ARG  29   5.645   0.023   5.452
  186   HH21  ARG  29          1HH2      ARG  29   3.484   2.722   4.930
  187   HH22  ARG  29          2HH2      ARG  29   5.123   2.241   5.207
  188    H    VAL  30           H        VAL  30  -2.741   0.635   2.514
  189    HA   VAL  30           HA       VAL  30  -3.618  -1.335   0.505
  190    HB   VAL  30           HB       VAL  30  -5.256   0.369  -0.235
  191   HG11  VAL  30          1HG1      VAL  30  -6.296  -1.161   1.114
  192   HG12  VAL  30          2HG1      VAL  30  -5.281  -0.786   2.509
  193   HG13  VAL  30          3HG1      VAL  30  -6.580   0.312   2.041
  194   HG21  VAL  30          3HG2      VAL  30  -4.211   2.400   0.446
  195   HG22  VAL  30          1HG2      VAL  30  -5.719   2.259   1.350
  196   HG23  VAL  30          2HG2      VAL  30  -4.183   1.891   2.134
  197    H    TYR  31           H        TYR  31  -3.259  -0.922  -1.681
  198    HA   TYR  31           HA       TYR  31  -1.737   1.437  -2.442
  199    HB2  TYR  31           1HB      TYR  31  -0.653  -1.343  -2.937
  200    HB3  TYR  31           2HB      TYR  31   0.085   0.173  -3.442
  201    HD1  TYR  31           HD1      TYR  31   0.931   1.758  -1.670
  202    HD2  TYR  31           HD2      TYR  31  -0.254  -2.232  -0.789
  203    HE1  TYR  31           HE1      TYR  31   2.178   1.862   0.447
  204    HE2  TYR  31           HE2      TYR  31   0.989  -2.139   1.331
  205    HH   TYR  31           HH       TYR  31   2.224   0.780   2.612
  206    H    HIS  32           H        HIS  32  -2.190   2.088  -4.465
  207    HA   HIS  32           HA       HIS  32  -4.343   1.025  -5.883
  208    HB2  HIS  32           1HB      HIS  32  -2.209   3.019  -6.482
  209    HB3  HIS  32           2HB      HIS  32  -3.168   2.412  -7.829
  210    HD2  HIS  32           HD2      HIS  32  -5.980   2.386  -5.818
  211    HE1  HIS  32           HE1      HIS  32  -5.371   6.573  -6.119
  212    HE2  HIS  32           HE2      HIS  32  -6.972   4.747  -5.454
  213    H    LEU  33           H        LEU  33  -3.961   0.594  -8.413
  214    HA   LEU  33           HA       LEU  33  -2.408  -1.868  -8.488
  215    HB2  LEU  33           1HB      LEU  33  -4.585  -0.676 -10.135
  216    HB3  LEU  33           2HB      LEU  33  -3.527  -1.877 -10.872
  217    HG   LEU  33           HG       LEU  33  -5.165  -2.333  -8.380
  218   HD11  LEU  33          1HD1      LEU  33  -6.566  -3.744  -9.849
  219   HD12  LEU  33          2HD1      LEU  33  -5.680  -3.125 -11.242
  220   HD13  LEU  33          3HD1      LEU  33  -6.645  -2.029 -10.253
  221   HD21  LEU  33          3HD2      LEU  33  -4.584  -4.765  -9.436
  222   HD22  LEU  33          1HD2      LEU  33  -3.668  -3.990  -8.144
  223   HD23  LEU  33          2HD2      LEU  33  -3.114  -3.867  -9.814
  224    H    ASP  34           H        ASP  34  -2.328   1.365  -9.725
  225    HA   ASP  34           HA       ASP  34  -0.160   0.684 -11.579
  226    HB2  ASP  34           1HB      ASP  34  -1.872   3.150 -11.266
  227    HB3  ASP  34           2HB      ASP  34  -0.449   3.106 -12.304
  228    H    CYS  35           H        CYS  35  -0.769   2.093  -8.517
  229    HA   CYS  35           HA       CYS  35   1.841   3.420  -8.456
  230    HB2  CYS  35           1HB      CYS  35  -0.258   3.412  -6.285
  231    HB3  CYS  35           2HB      CYS  35   1.102   4.515  -6.461
  232    H    LEU  36           H        LEU  36   2.431   0.916  -8.648
  233    HA   LEU  36           HA       LEU  36   2.945  -0.022  -5.902
  234    HB2  LEU  36           1HB      LEU  36   2.267  -1.535  -8.395
  235    HB3  LEU  36           2HB      LEU  36   3.162  -2.309  -7.089
  236    HG   LEU  36           HG       LEU  36   0.394  -1.126  -6.877
  237   HD11  LEU  36          1HD1      LEU  36   1.344  -3.692  -7.746
  238   HD12  LEU  36          2HD1      LEU  36  -0.305  -3.071  -7.679
  239   HD13  LEU  36          3HD1      LEU  36   0.400  -3.855  -6.265
  240   HD21  LEU  36          3HD2      LEU  36   1.461  -0.877  -4.772
  241   HD22  LEU  36          1HD2      LEU  36   2.176  -2.487  -4.869
  242   HD23  LEU  36          2HD2      LEU  36   0.434  -2.307  -4.656
  243    H    ASP  37           H        ASP  37   4.825  -1.816  -6.131
  244    HA   ASP  37           HA       ASP  37   6.924  -0.917  -7.931
  245    HB2  ASP  37           1HB      ASP  37   6.905   0.400  -5.650
  246    HB3  ASP  37           2HB      ASP  37   7.652  -1.072  -5.033
  247    HA   PRO  38           HA       PRO  38   7.517  -1.847  -9.455
  248    HB2  PRO  38           1HB      PRO  38   6.759  -3.766 -11.220
  249    HB3  PRO  38           2HB      PRO  38   8.425  -3.578 -10.662
  250    HG2  PRO  38           1HG      PRO  38   6.323  -5.499  -9.739
  251    HG3  PRO  38           2HG      PRO  38   8.043  -5.791 -10.060
  252    HD2  PRO  38           1HD      PRO  38   7.065  -5.452  -7.558
  253    HD3  PRO  38           2HD      PRO  38   8.698  -4.934  -8.024
  254    HA   PRO  39           HA       PRO  39   3.264  -0.856  -9.963
  255    HB2  PRO  39           1HB      PRO  39   3.090  -0.272 -12.609
  256    HB3  PRO  39           2HB      PRO  39   3.908   0.778 -11.445
  257    HG2  PRO  39           1HG      PRO  39   5.078  -1.221 -13.342
  258    HG3  PRO  39           2HG      PRO  39   5.642   0.414 -12.951
  259    HD2  PRO  39           1HD      PRO  39   6.760  -1.806 -11.879
  260    HD3  PRO  39           2HD      PRO  39   6.662  -0.267 -11.000
  261    H    LEU  40           H        LEU  40   1.245  -1.595 -10.715
  262    HA   LEU  40           HA       LEU  40   1.325  -4.192 -12.107
  263    HB2  LEU  40           1HB      LEU  40  -0.007  -3.332  -9.640
  264    HB3  LEU  40           2HB      LEU  40  -1.040  -4.224 -10.754
  265    HG   LEU  40           HG       LEU  40   1.563  -5.205  -9.582
  266   HD11  LEU  40          1HD1      LEU  40  -0.841  -6.715  -9.005
  267   HD12  LEU  40          2HD1      LEU  40  -0.931  -5.063  -8.396
  268   HD13  LEU  40          3HD1      LEU  40   0.404  -6.109  -7.913
  269   HD21  LEU  40          3HD2      LEU  40   1.464  -6.309 -11.598
  270   HD22  LEU  40          1HD2      LEU  40  -0.299  -6.295 -11.644
  271   HD23  LEU  40          2HD2      LEU  40   0.546  -7.403 -10.563
  272    H    LYS  41           H        LYS  41  -1.084  -4.705 -12.863
  273    HA   LYS  41           HA       LYS  41  -2.271  -2.312 -14.069
  274    HB2  LYS  41           1HB      LYS  41  -0.751  -3.228 -15.751
  275    HB3  LYS  41           2HB      LYS  41  -1.505  -4.809 -15.593
  276    HG2  LYS  41           1HG      LYS  41  -2.418  -3.893 -17.538
  277    HG3  LYS  41           2HG      LYS  41  -3.667  -3.677 -16.309
  278    HD2  LYS  41           1HD      LYS  41  -2.970  -1.360 -15.994
  279    HD3  LYS  41           2HD      LYS  41  -1.689  -1.573 -17.190
  280    HE2  LYS  41           1HE      LYS  41  -3.891  -2.405 -18.570
  281    HE3  LYS  41           2HE      LYS  41  -4.564  -1.130 -17.556
  282    HZ1  LYS  41           3HZ      LYS  41  -3.867   0.043 -19.379
  283    HZ2  LYS  41           1HZ      LYS  41  -2.523  -0.945 -19.661
  284    HZ3  LYS  41           2HZ      LYS  41  -2.498   0.176 -18.395
  285    H    THR  42           H        THR  42  -2.745  -5.825 -14.418
  286    HA   THR  42           HA       THR  42  -5.594  -5.452 -13.902
  287    HB   THR  42           HB       THR  42  -5.928  -7.661 -14.765
  288    HG1  THR  42           HG1      THR  42  -4.203  -9.045 -15.193
  289   HG21  THR  42          3HG2      THR  42  -3.756  -6.558 -16.522
  290   HG22  THR  42          1HG2      THR  42  -5.303  -5.732 -16.347
  291   HG23  THR  42          2HG2      THR  42  -5.248  -7.374 -16.989
  292    H    ILE  43           H        ILE  43  -6.394  -7.798 -12.859
  293    HA   ILE  43           HA       ILE  43  -5.705  -7.526 -10.108
  294    HB   ILE  43           HB       ILE  43  -7.312  -9.700 -11.456
  295   HG12  ILE  43          1HG1      ILE  43  -8.214  -7.158 -10.082
  296   HG13  ILE  43          2HG1      ILE  43  -8.234  -7.441 -11.819
  297   HG21  ILE  43          1HG2      ILE  43  -7.474 -10.676  -9.471
  298   HG22  ILE  43          2HG2      ILE  43  -6.348  -9.491  -8.811
  299   HG23  ILE  43          3HG2      ILE  43  -8.083  -9.181  -8.761
  300   HD11  ILE  43          3HD1      ILE  43 -10.410  -7.865 -11.255
  301   HD12  ILE  43          1HD1      ILE  43  -9.717  -9.484 -11.179
  302   HD13  ILE  43          2HD1      ILE  43  -9.985  -8.569  -9.695
  303    HA   PRO  44           HA       PRO  44  -2.148 -10.235 -10.381
  304    HB2  PRO  44           1HB      PRO  44  -1.386  -9.894  -7.797
  305    HB3  PRO  44           2HB      PRO  44  -1.056  -8.703  -9.061
  306    HG2  PRO  44           1HG      PRO  44  -3.230  -8.729  -7.004
  307    HG3  PRO  44           2HG      PRO  44  -2.221  -7.377  -7.548
  308    HD2  PRO  44           1HD      PRO  44  -4.755  -7.749  -8.427
  309    HD3  PRO  44           2HD      PRO  44  -3.489  -7.028  -9.441
  310    H    LYS  45           H        LYS  45  -3.471 -12.130 -10.642
  311    HA   LYS  45           HA       LYS  45  -4.949 -13.423  -8.704
  312    HB2  LYS  45           1HB      LYS  45  -4.014 -14.016 -11.281
  313    HB3  LYS  45           2HB      LYS  45  -3.451 -15.339 -10.269
  314    HG2  LYS  45           1HG      LYS  45  -5.459 -16.252 -10.386
  315    HG3  LYS  45           2HG      LYS  45  -6.132 -14.849  -9.553
  316    HD2  LYS  45           1HD      LYS  45  -5.602 -14.732 -12.494
  317    HD3  LYS  45           2HD      LYS  45  -7.054 -15.534 -11.891
  318    HE2  LYS  45           1HE      LYS  45  -7.001 -13.166 -10.481
  319    HE3  LYS  45           2HE      LYS  45  -6.420 -12.696 -12.077
  320    HZ1  LYS  45           3HZ      LYS  45  -8.963 -12.759 -11.532
  321    HZ2  LYS  45           1HZ      LYS  45  -8.798 -14.400 -11.907
  322    HZ3  LYS  45           2HZ      LYS  45  -8.395 -13.226 -13.055
  323    H    GLY  46           H        GLY  46  -4.396 -15.473  -7.552
  324    HA2  GLY  46           1HA      GLY  46  -3.100 -16.700  -6.095
  325    HA3  GLY  46           2HA      GLY  46  -1.679 -16.041  -6.891
  326    H    MET  47           H        MET  47  -1.841 -16.472  -4.125
  327    HA   MET  47           HA       MET  47  -2.615 -14.344  -2.547
  328    HB2  MET  47           1HB      MET  47  -1.806 -16.441  -1.610
  329    HB3  MET  47           2HB      MET  47  -0.191 -16.124  -2.231
  330    HG2  MET  47           1HG      MET  47  -0.069 -14.130  -0.778
  331    HG3  MET  47           2HG      MET  47  -1.640 -14.562  -0.107
  332    HE1  MET  47           3HE      MET  47   1.232 -14.985   2.446
  333    HE2  MET  47           1HE      MET  47   0.021 -13.916   1.738
  334    HE3  MET  47           2HE      MET  47  -0.476 -15.221   2.816
  335    H    TRP  48           H        TRP  48  -2.232 -12.284  -3.123
  336    HA   TRP  48           HA       TRP  48   0.405 -11.505  -4.089
  337    HB2  TRP  48           1HB      TRP  48  -1.619 -10.656  -5.235
  338    HB3  TRP  48           2HB      TRP  48  -2.101  -9.842  -3.748
  339    HD1  TRP  48           HD1      TRP  48   0.502  -9.637  -6.560
  340    HE1  TRP  48           HE1      TRP  48   1.529  -7.277  -6.550
  341    HE3  TRP  48           HE3      TRP  48  -1.637  -7.839  -2.279
  342    HZ2  TRP  48           HZ2      TRP  48   1.444  -4.960  -4.941
  343    HZ3  TRP  48           HZ3      TRP  48  -1.112  -5.541  -1.574
  344    HH2  TRP  48           HH2      TRP  48   0.398  -4.133  -2.878
  345    H    ILE  49           H        ILE  49   1.726  -9.992  -3.077
  346    HA   ILE  49           HA       ILE  49   0.963  -9.099  -0.395
  347    HB   ILE  49           HB       ILE  49   3.580 -10.488  -0.986
  348   HG12  ILE  49          1HG1      ILE  49   1.281 -11.383   0.765
  349   HG13  ILE  49          2HG1      ILE  49   1.615 -12.013  -0.844
  350   HG21  ILE  49          1HG2      ILE  49   3.984  -8.805   0.624
  351   HG22  ILE  49          2HG2      ILE  49   2.488  -9.166   1.483
  352   HG23  ILE  49          3HG2      ILE  49   3.826 -10.313   1.524
  353   HD11  ILE  49          3HD1      ILE  49   3.057 -13.467  -0.019
  354   HD12  ILE  49          1HD1      ILE  49   3.969 -12.183   0.773
  355   HD13  ILE  49          2HD1      ILE  49   2.605 -12.935   1.600
  356    H    CYS  50           H        CYS  50   1.460  -7.032  -0.072
  357    HA   CYS  50           HA       CYS  50   2.482  -5.353  -2.009
  358    HB2  CYS  50           1HB      CYS  50   2.577  -3.650  -0.338
  359    HB3  CYS  50           2HB      CYS  50   1.214  -4.689   0.068
  360    HA   PRO  51           HA       PRO  51   6.849  -5.805  -2.023
  361    HB2  PRO  51           1HB      PRO  51   7.633  -3.269  -2.589
  362    HB3  PRO  51           2HB      PRO  51   6.874  -4.328  -3.783
  363    HG2  PRO  51           1HG      PRO  51   5.652  -2.145  -2.139
  364    HG3  PRO  51           2HG      PRO  51   5.410  -2.523  -3.854
  365    HD2  PRO  51           1HD      PRO  51   3.642  -3.254  -1.938
  366    HD3  PRO  51           2HD      PRO  51   3.921  -4.223  -3.400
  367    H    ARG  52           H        ARG  52   5.272  -3.817   0.257
  368    HA   ARG  52           HA       ARG  52   7.636  -2.926   1.635
  369    HB2  ARG  52           1HB      ARG  52   4.775  -2.475   1.808
  370    HB3  ARG  52           2HB      ARG  52   5.482  -2.727   3.398
  371    HG2  ARG  52           1HG      ARG  52   6.429  -0.706   1.376
  372    HG3  ARG  52           2HG      ARG  52   5.404  -0.361   2.771
  373    HD2  ARG  52           1HD      ARG  52   7.296   0.023   3.889
  374    HD3  ARG  52           2HD      ARG  52   7.534  -1.724   3.866
  375    HE   ARG  52           HE       ARG  52   9.246  -1.427   2.383
  376   HH11  ARG  52          1HH1      ARG  52   7.291   1.453   2.441
  377   HH12  ARG  52          2HH1      ARG  52   8.369   2.362   1.434
  378   HH21  ARG  52          1HH2      ARG  52  10.673  -0.241   1.057
  379   HH22  ARG  52          2HH2      ARG  52  10.292   1.397   0.647
  380    H    CYS  53           H        CYS  53   5.597  -5.709   1.689
  381    HA   CYS  53           HA       CYS  53   6.468  -6.573   4.315
  382    HB2  CYS  53           1HB      CYS  53   4.597  -7.638   2.235
  383    HB3  CYS  53           2HB      CYS  53   5.213  -8.728   3.473
  384    H    GLN  54           H        GLN  54   6.778  -7.801   0.982
  385    HA   GLN  54           HA       GLN  54   8.471  -9.925   1.463
  386    HB2  GLN  54           1HB      GLN  54   8.343  -8.066  -0.912
  387    HB3  GLN  54           2HB      GLN  54   9.295  -9.544  -0.889
  388    HG2  GLN  54           1HG      GLN  54   6.483  -9.867  -0.117
  389    HG3  GLN  54           2HG      GLN  54   6.752  -9.365  -1.785
  390   HE21  GLN  54          1HE2      GLN  54   6.870 -10.979  -3.153
  391   HE22  GLN  54          2HE2      GLN  54   7.472 -12.563  -2.821
  392    H    ASP  55           H        ASP  55   9.194  -6.512   1.358
  393    HA   ASP  55           HA       ASP  55  12.033  -6.809   1.216
  394    HB2  ASP  55           1HB      ASP  55  10.112  -4.617   1.402
  395    HB3  ASP  55           2HB      ASP  55  11.567  -4.326   2.351
  396    H    GLN  56           H        GLN  56  13.553  -6.706   2.840
  397    HA   GLN  56           HA       GLN  56  12.980  -7.892   5.279
  398    HB2  GLN  56           1HB      GLN  56  15.221  -7.214   5.976
  399    HB3  GLN  56           2HB      GLN  56  15.234  -7.800   4.318
  400    HG2  GLN  56           1HG      GLN  56  15.689  -5.743   3.441
  401    HG3  GLN  56           2HG      GLN  56  14.929  -4.883   4.780
  402   HE21  GLN  56          1HE2      GLN  56  17.826  -6.153   3.500
  403   HE22  GLN  56          2HE2      GLN  56  18.873  -5.687   4.792
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -26.828   3.203  12.505
    2    HA2  GLY   1           1HA      GLY   1 -24.784   2.169  12.365
    3    HA3  GLY   1           2HA      GLY   1 -24.433   3.320  11.085
    4    H    SER   2           H        SER   2 -22.672   4.484  11.412
    5    HA   SER   2           HA       SER   2 -20.972   5.605  12.425
    6    HB2  SER   2           1HB      SER   2 -22.623   5.945  14.906
    7    HB3  SER   2           2HB      SER   2 -21.512   7.082  14.142
    8    HG   SER   2           HG       SER   2 -24.097   7.038  13.887
    9    H    SER   3           H        SER   3 -19.982   3.425  12.483
   10    HA   SER   3           HA       SER   3 -19.198   2.786  15.219
   11    HB2  SER   3           1HB      SER   3 -19.609   0.375  13.592
   12    HB3  SER   3           2HB      SER   3 -20.019   0.680  15.280
   13    HG   SER   3           HG       SER   3 -21.490   1.798  13.138
   14    H    GLY   4           H        GLY   4 -17.911   4.095  12.954
   15    HA2  GLY   4           1HA      GLY   4 -15.699   4.165  12.256
   16    HA3  GLY   4           2HA      GLY   4 -15.448   2.592  12.999
   17    H    SER   5           H        SER   5 -14.174   2.723  10.783
   18    HA   SER   5           HA       SER   5 -15.916   1.609   8.684
   19    HB2  SER   5           1HB      SER   5 -14.095   3.702   8.516
   20    HB3  SER   5           2HB      SER   5 -13.227   2.334   7.819
   21    HG   SER   5           HG       SER   5 -14.726   2.155   6.259
   22    H    SER   6           H        SER   6 -12.687   1.292  10.140
   23    HA   SER   6           HA       SER   6 -11.330  -0.507  10.458
   24    HB2  SER   6           1HB      SER   6 -13.818  -1.405  11.111
   25    HB3  SER   6           2HB      SER   6 -13.372  -2.546   9.843
   26    HG   SER   6           HG       SER   6 -12.726  -2.922  12.193
   27    H    GLY   7           H        GLY   7 -10.664  -2.701   9.347
   28    HA2  GLY   7           1HA      GLY   7 -10.171  -3.883   7.403
   29    HA3  GLY   7           2HA      GLY   7 -11.213  -2.790   6.505
   30    H    HIS   8           H        HIS   8  -8.391  -2.114   8.555
   31    HA   HIS   8           HA       HIS   8  -6.464  -0.975   8.150
   32    HB2  HIS   8           1HB      HIS   8  -6.734  -1.960   5.307
   33    HB3  HIS   8           2HB      HIS   8  -5.254  -1.509   6.147
   34    HD2  HIS   8           HD2      HIS   8  -5.929  -4.585   4.880
   35    HE1  HIS   8           HE1      HIS   8  -5.701  -5.655   8.979
   36    HE2  HIS   8           HE2      HIS   8  -5.563  -6.479   6.603
   37    H    GLU   9           H        GLU   9  -5.461   0.495   6.119
   38    HA   GLU   9           HA       GLU   9  -6.915   2.879   6.252
   39    HB2  GLU   9           1HB      GLU   9  -4.914   2.203   4.098
   40    HB3  GLU   9           2HB      GLU   9  -5.311   3.792   4.737
   41    HG2  GLU   9           1HG      GLU   9  -4.426   2.947   6.963
   42    HG3  GLU   9           2HG      GLU   9  -3.763   1.589   6.056
   43    H    ASP  10           H        ASP  10  -7.234   4.076   3.935
   44    HA   ASP  10           HA       ASP  10  -8.690   2.370   2.085
   45    HB2  ASP  10           1HB      ASP  10  -9.997   4.547   3.714
   46    HB3  ASP  10           2HB      ASP  10 -10.682   3.956   2.203
   47    H    PHE  11           H        PHE  11  -6.297   4.134   2.104
   48    HA   PHE  11           HA       PHE  11  -6.966   5.622  -0.310
   49    HB2  PHE  11           1HB      PHE  11  -5.433   6.965   1.916
   50    HB3  PHE  11           2HB      PHE  11  -6.034   7.691   0.429
   51    HD1  PHE  11           HD2      PHE  11  -6.908   6.529   3.779
   52    HD2  PHE  11           HD1      PHE  11  -8.363   8.289   0.187
   53    HE1  PHE  11           HE2      PHE  11  -8.970   7.192   4.944
   54    HE2  PHE  11           HE1      PHE  11 -10.428   8.956   1.347
   55    HZ   PHE  11           HZ       PHE  11 -10.734   8.406   3.728
   56    H    CYS  12           H        CYS  12  -5.292   5.797  -1.754
   57    HA   CYS  12           HA       CYS  12  -3.281   3.908  -1.750
   58    HB2  CYS  12           1HB      CYS  12  -4.068   5.183  -3.741
   59    HB3  CYS  12           2HB      CYS  12  -3.181   6.586  -3.153
   60    H    SER  13           H        SER  13  -1.225   3.784  -1.023
   61    HA   SER  13           HA       SER  13  -0.349   5.884   0.809
   62    HB2  SER  13           1HB      SER  13   0.372   2.996   0.427
   63    HB3  SER  13           2HB      SER  13   1.472   4.070   1.292
   64    HG   SER  13           HG       SER  13  -1.127   3.251   1.976
   65    H    VAL  14           H        VAL  14  -0.208   6.508  -1.931
   66    HA   VAL  14           HA       VAL  14   2.641   7.044  -2.151
   67    HB   VAL  14           HB       VAL  14   1.125   5.676  -4.379
   68   HG11  VAL  14          1HG1      VAL  14   2.543   7.142  -5.482
   69   HG12  VAL  14          2HG1      VAL  14   3.805   7.004  -4.257
   70   HG13  VAL  14          3HG1      VAL  14   3.512   5.673  -5.377
   71   HG21  VAL  14          3HG2      VAL  14   3.377   4.745  -2.605
   72   HG22  VAL  14          1HG2      VAL  14   1.753   4.068  -2.724
   73   HG23  VAL  14          2HG2      VAL  14   2.874   3.915  -4.077
   74    H    CYS  15           H        CYS  15  -0.556   7.397  -3.652
   75    HA   CYS  15           HA       CYS  15   0.187  10.151  -4.394
   76    HB2  CYS  15           1HB      CYS  15  -1.381  10.018  -6.229
   77    HB3  CYS  15           2HB      CYS  15  -0.282   8.645  -6.321
   78    H    ARG  16           H        ARG  16  -2.050   8.114  -2.722
   79    HA   ARG  16           HA       ARG  16  -3.767   8.554  -1.297
   80    HB2  ARG  16           1HB      ARG  16  -2.109  10.962  -1.229
   81    HB3  ARG  16           2HB      ARG  16  -3.792  11.273  -0.824
   82    HG2  ARG  16           1HG      ARG  16  -2.481   8.963   0.487
   83    HG3  ARG  16           2HG      ARG  16  -1.992  10.582   0.994
   84    HD2  ARG  16           1HD      ARG  16  -4.760  10.708   0.873
   85    HD3  ARG  16           2HD      ARG  16  -4.430   9.115   1.554
   86    HE   ARG  16           HE       ARG  16  -4.059  11.640   2.834
   87   HH11  ARG  16          1HH1      ARG  16  -2.863   8.375   2.653
   88   HH12  ARG  16          2HH1      ARG  16  -2.228   8.380   4.265
   89   HH21  ARG  16          1HH2      ARG  16  -3.227  11.658   4.958
   90   HH22  ARG  16          2HH2      ARG  16  -2.436  10.247   5.576
   91    H    LYS  17           H        LYS  17  -5.301   8.048  -2.914
   92    HA   LYS  17           HA       LYS  17  -6.892  10.362  -3.740
   93    HB2  LYS  17           1HB      LYS  17  -5.472   8.518  -5.522
   94    HB3  LYS  17           2HB      LYS  17  -7.183   8.674  -5.894
   95    HG2  LYS  17           1HG      LYS  17  -6.943  11.086  -6.081
   96    HG3  LYS  17           2HG      LYS  17  -5.233  10.957  -5.661
   97    HD2  LYS  17           1HD      LYS  17  -4.678   9.977  -7.686
   98    HD3  LYS  17           2HD      LYS  17  -6.324   9.411  -7.978
   99    HE2  LYS  17           1HE      LYS  17  -5.829  12.343  -7.834
  100    HE3  LYS  17           2HE      LYS  17  -5.321  11.475  -9.282
  101    HZ1  LYS  17           3HZ      LYS  17  -7.857  10.576  -8.784
  102    HZ2  LYS  17           1HZ      LYS  17  -7.405  11.694  -9.971
  103    HZ3  LYS  17           2HZ      LYS  17  -7.942  12.234  -8.461
  104    H    SER  18           H        SER  18  -9.007   9.431  -4.846
  105    HA   SER  18           HA       SER  18 -10.045   7.417  -2.975
  106    HB2  SER  18           1HB      SER  18 -12.210   8.374  -3.277
  107    HB3  SER  18           2HB      SER  18 -11.097   9.726  -3.071
  108    HG   SER  18           HG       SER  18 -11.114  10.016  -5.314
  109    H    GLY  19           H        GLY  19 -11.345   5.707  -3.712
  110    HA2  GLY  19           1HA      GLY  19 -12.484   4.903  -5.880
  111    HA3  GLY  19           2HA      GLY  19 -10.856   5.011  -6.531
  112    H    GLN  20           H        GLN  20 -10.854   2.786  -7.013
  113    HA   GLN  20           HA       GLN  20 -11.166   0.874  -4.862
  114    HB2  GLN  20           1HB      GLN  20 -11.587   0.728  -7.554
  115    HB3  GLN  20           2HB      GLN  20 -10.020  -0.057  -7.409
  116    HG2  GLN  20           1HG      GLN  20 -11.047  -1.511  -5.626
  117    HG3  GLN  20           2HG      GLN  20 -12.607  -0.843  -6.103
  118   HE21  GLN  20          1HE2      GLN  20 -11.167  -3.552  -6.307
  119   HE22  GLN  20          2HE2      GLN  20 -11.472  -4.039  -7.936
  120    H    LEU  21           H        LEU  21  -9.584  -0.015  -3.687
  121    HA   LEU  21           HA       LEU  21  -6.803   0.363  -4.569
  122    HB2  LEU  21           1HB      LEU  21  -8.111   1.234  -2.089
  123    HB3  LEU  21           2HB      LEU  21  -6.581   0.390  -1.858
  124    HG   LEU  21           HG       LEU  21  -6.659   2.615  -3.829
  125   HD11  LEU  21          1HD1      LEU  21  -6.664   4.326  -2.293
  126   HD12  LEU  21          2HD1      LEU  21  -6.237   3.268  -0.949
  127   HD13  LEU  21          3HD1      LEU  21  -7.873   3.242  -1.606
  128   HD21  LEU  21          3HD2      LEU  21  -4.705   0.987  -2.913
  129   HD22  LEU  21          1HD2      LEU  21  -4.538   2.352  -1.808
  130   HD23  LEU  21          2HD2      LEU  21  -4.426   2.609  -3.549
  131    H    LEU  22           H        LEU  22  -5.334  -1.250  -3.960
  132    HA   LEU  22           HA       LEU  22  -6.537  -3.845  -3.555
  133    HB2  LEU  22           1HB      LEU  22  -4.535  -3.154  -5.092
  134    HB3  LEU  22           2HB      LEU  22  -3.588  -3.386  -3.623
  135    HG   LEU  22           HG       LEU  22  -4.344  -5.716  -3.512
  136   HD11  LEU  22          1HD1      LEU  22  -6.249  -6.235  -4.536
  137   HD12  LEU  22          2HD1      LEU  22  -5.330  -6.248  -6.041
  138   HD13  LEU  22          3HD1      LEU  22  -6.189  -4.789  -5.545
  139   HD21  LEU  22          3HD2      LEU  22  -3.254  -5.130  -6.255
  140   HD22  LEU  22          1HD2      LEU  22  -2.966  -6.548  -5.248
  141   HD23  LEU  22          2HD2      LEU  22  -2.290  -4.987  -4.784
  142    H    MET  23           H        MET  23  -5.902  -5.332  -1.905
  143    HA   MET  23           HA       MET  23  -4.927  -4.019   0.546
  144    HB2  MET  23           1HB      MET  23  -7.001  -6.202   0.283
  145    HB3  MET  23           2HB      MET  23  -6.360  -5.608   1.809
  146    HG2  MET  23           1HG      MET  23  -7.200  -3.315   0.538
  147    HG3  MET  23           2HG      MET  23  -8.422  -4.504   0.095
  148    HE1  MET  23           3HE      MET  23  -9.862  -2.879   0.961
  149    HE2  MET  23           1HE      MET  23 -10.737  -3.522   2.351
  150    HE3  MET  23           2HE      MET  23  -9.732  -2.084   2.531
  151    H    CYS  24           H        CYS  24  -3.427  -5.081   1.777
  152    HA   CYS  24           HA       CYS  24  -1.995  -7.227   0.470
  153    HB2  CYS  24           1HB      CYS  24  -0.775  -5.362   1.522
  154    HB3  CYS  24           2HB      CYS  24  -1.440  -5.816   3.088
  155    H    ASP  25           H        ASP  25  -1.646  -9.286   1.285
  156    HA   ASP  25           HA       ASP  25  -3.701 -10.217   3.143
  157    HB2  ASP  25           1HB      ASP  25  -3.098 -11.263   0.804
  158    HB3  ASP  25           2HB      ASP  25  -1.822 -12.061   1.719
  159    H    THR  26           H        THR  26  -1.688  -8.755   4.353
  160    HA   THR  26           HA       THR  26  -0.726 -10.655   6.273
  161    HB   THR  26           HB       THR  26   1.635  -9.205   5.564
  162    HG1  THR  26           HG1      THR  26   0.928 -10.930   3.460
  163   HG21  THR  26          3HG2      THR  26   1.016 -12.151   5.327
  164   HG22  THR  26          1HG2      THR  26   1.487 -11.339   6.820
  165   HG23  THR  26          2HG2      THR  26   2.613 -11.416   5.465
  166    H    CYS  27           H        CYS  27   0.329  -7.436   5.146
  167    HA   CYS  27           HA       CYS  27   0.141  -6.436   7.872
  168    HB2  CYS  27           1HB      CYS  27   1.325  -4.504   7.084
  169    HB3  CYS  27           2HB      CYS  27   2.108  -5.924   6.398
  170    H    SER  28           H        SER  28  -0.492  -3.821   7.566
  171    HA   SER  28           HA       SER  28  -3.244  -3.895   6.510
  172    HB2  SER  28           1HB      SER  28  -3.587  -2.058   8.345
  173    HB3  SER  28           2HB      SER  28  -3.589  -3.760   8.806
  174    HG   SER  28           HG       SER  28  -1.845  -3.437   9.930
  175    H    ARG  29           H        ARG  29  -2.022  -3.142   4.538
  176    HA   ARG  29           HA       ARG  29  -2.113  -0.230   4.469
  177    HB2  ARG  29           1HB      ARG  29   0.247  -1.695   3.295
  178    HB3  ARG  29           2HB      ARG  29   0.030   0.042   3.466
  179    HG2  ARG  29           1HG      ARG  29   0.066  -0.289   5.948
  180    HG3  ARG  29           2HG      ARG  29   0.521  -1.967   5.648
  181    HD2  ARG  29           1HD      ARG  29   2.565  -1.340   4.652
  182    HD3  ARG  29           2HD      ARG  29   2.062   0.344   4.502
  183    HE   ARG  29           HE       ARG  29   2.024  -0.074   7.173
  184   HH11  ARG  29          1HH1      ARG  29   4.415  -0.618   4.701
  185   HH12  ARG  29          2HH1      ARG  29   5.760  -0.369   5.765
  186   HH21  ARG  29          1HH2      ARG  29   3.787   0.256   8.582
  187   HH22  ARG  29          2HH2      ARG  29   5.402   0.127   7.972
  188    H    VAL  30           H        VAL  30  -2.850   0.576   2.564
  189    HA   VAL  30           HA       VAL  30  -3.568  -1.398   0.507
  190    HB   VAL  30           HB       VAL  30  -5.220   0.277  -0.268
  191   HG11  VAL  30          1HG1      VAL  30  -6.190   0.203   2.400
  192   HG12  VAL  30          2HG1      VAL  30  -6.626  -0.834   1.040
  193   HG13  VAL  30          3HG1      VAL  30  -5.290  -1.284   2.100
  194   HG21  VAL  30          3HG2      VAL  30  -4.038   2.280   0.540
  195   HG22  VAL  30          1HG2      VAL  30  -5.714   2.229   1.088
  196   HG23  VAL  30          2HG2      VAL  30  -4.409   1.814   2.200
  197    H    TYR  31           H        TYR  31  -3.231  -0.951  -1.691
  198    HA   TYR  31           HA       TYR  31  -1.694   1.406  -2.421
  199    HB2  TYR  31           1HB      TYR  31  -0.619  -1.367  -2.965
  200    HB3  TYR  31           2HB      TYR  31   0.134   0.159  -3.414
  201    HD1  TYR  31           HD2      TYR  31   1.108   1.618  -1.664
  202    HD2  TYR  31           HD1      TYR  31  -0.400  -2.257  -0.758
  203    HE1  TYR  31           HE2      TYR  31   2.329   1.648   0.472
  204    HE2  TYR  31           HE1      TYR  31   0.816  -2.236   1.380
  205    HH   TYR  31           HH       TYR  31   2.343  -1.164   2.621
  206    H    HIS  32           H        HIS  32  -2.139   2.081  -4.439
  207    HA   HIS  32           HA       HIS  32  -4.291   1.043  -5.874
  208    HB2  HIS  32           1HB      HIS  32  -2.152   3.037  -6.437
  209    HB3  HIS  32           2HB      HIS  32  -3.094   2.443  -7.802
  210    HD2  HIS  32           HD2      HIS  32  -5.947   2.397  -5.880
  211    HE1  HIS  32           HE1      HIS  32  -5.307   6.588  -6.043
  212    HE2  HIS  32           HE2      HIS  32  -6.937   4.753  -5.478
  213    H    LEU  33           H        LEU  33  -3.908   0.633  -8.405
  214    HA   LEU  33           HA       LEU  33  -2.362  -1.833  -8.502
  215    HB2  LEU  33           1HB      LEU  33  -4.560  -0.632 -10.098
  216    HB3  LEU  33           2HB      LEU  33  -3.485  -1.771 -10.905
  217    HG   LEU  33           HG       LEU  33  -5.095  -2.371  -8.425
  218   HD11  LEU  33          1HD1      LEU  33  -6.061  -3.978 -10.387
  219   HD12  LEU  33          2HD1      LEU  33  -5.729  -2.497 -11.285
  220   HD13  LEU  33          3HD1      LEU  33  -6.797  -2.457  -9.882
  221   HD21  LEU  33          3HD2      LEU  33  -3.011  -3.809  -9.930
  222   HD22  LEU  33          1HD2      LEU  33  -4.440  -4.752  -9.506
  223   HD23  LEU  33          2HD2      LEU  33  -3.503  -3.956  -8.242
  224    H    ASP  34           H        ASP  34  -2.266   1.413  -9.700
  225    HA   ASP  34           HA       ASP  34  -0.099   0.742 -11.560
  226    HB2  ASP  34           1HB      ASP  34  -2.057   2.963 -11.351
  227    HB3  ASP  34           2HB      ASP  34  -0.459   3.375 -11.965
  228    H    CYS  35           H        CYS  35  -0.709   2.124  -8.487
  229    HA   CYS  35           HA       CYS  35   1.902   3.446  -8.411
  230    HB2  CYS  35           1HB      CYS  35  -0.200   3.421  -6.243
  231    HB3  CYS  35           2HB      CYS  35   1.163   4.524  -6.407
  232    H    LEU  36           H        LEU  36   2.488   0.943  -8.625
  233    HA   LEU  36           HA       LEU  36   3.001  -0.018  -5.887
  234    HB2  LEU  36           1HB      LEU  36   2.313  -1.512  -8.389
  235    HB3  LEU  36           2HB      LEU  36   3.208  -2.298  -7.091
  236    HG   LEU  36           HG       LEU  36   0.444  -1.107  -6.865
  237   HD11  LEU  36          1HD1      LEU  36  -0.263  -3.044  -7.678
  238   HD12  LEU  36          2HD1      LEU  36   0.444  -3.841  -6.273
  239   HD13  LEU  36          3HD1      LEU  36   1.385  -3.670  -7.755
  240   HD21  LEU  36          3HD2      LEU  36   0.533  -2.398  -4.660
  241   HD22  LEU  36          1HD2      LEU  36   1.411  -0.871  -4.748
  242   HD23  LEU  36          2HD2      LEU  36   2.284  -2.398  -4.875
  243    H    ASP  37           H        ASP  37   4.875  -1.817  -6.131
  244    HA   ASP  37           HA       ASP  37   6.973  -0.915  -7.930
  245    HB2  ASP  37           1HB      ASP  37   6.973   0.404  -5.662
  246    HB3  ASP  37           2HB      ASP  37   7.685  -1.076  -5.025
  247    HA   PRO  38           HA       PRO  38   7.563  -1.840  -9.459
  248    HB2  PRO  38           1HB      PRO  38   6.797  -3.749 -11.231
  249    HB3  PRO  38           2HB      PRO  38   8.464  -3.569 -10.675
  250    HG2  PRO  38           1HG      PRO  38   6.358  -5.487  -9.757
  251    HG3  PRO  38           2HG      PRO  38   8.076  -5.783 -10.081
  252    HD2  PRO  38           1HD      PRO  38   7.102  -5.452  -7.576
  253    HD3  PRO  38           2HD      PRO  38   8.736  -4.937  -8.042
  254    HA   PRO  39           HA       PRO  39   3.311  -0.834  -9.958
  255    HB2  PRO  39           1HB      PRO  39   3.136  -0.240 -12.601
  256    HB3  PRO  39           2HB      PRO  39   3.959   0.803 -11.435
  257    HG2  PRO  39           1HG      PRO  39   5.121  -1.192 -13.340
  258    HG3  PRO  39           2HG      PRO  39   5.689   0.440 -12.945
  259    HD2  PRO  39           1HD      PRO  39   6.802  -1.788 -11.882
  260    HD3  PRO  39           2HD      PRO  39   6.710  -0.252 -10.997
  261    H    LEU  40           H        LEU  40   1.290  -1.565 -10.709
  262    HA   LEU  40           HA       LEU  40   1.361  -4.161 -12.103
  263    HB2  LEU  40           1HB      LEU  40   0.030  -3.292  -9.641
  264    HB3  LEU  40           2HB      LEU  40  -1.014  -4.168 -10.759
  265    HG   LEU  40           HG       LEU  40   1.573  -5.187  -9.585
  266   HD11  LEU  40          1HD1      LEU  40  -0.827  -6.687  -9.012
  267   HD12  LEU  40          2HD1      LEU  40  -0.945  -5.028  -8.426
  268   HD13  LEU  40          3HD1      LEU  40   0.396  -6.051  -7.912
  269   HD21  LEU  40          3HD2      LEU  40  -0.374  -6.357 -11.552
  270   HD22  LEU  40          1HD2      LEU  40   0.704  -7.361 -10.582
  271   HD23  LEU  40          2HD2      LEU  40   1.374  -6.178 -11.706
  272    H    LYS  41           H        LYS  41  -1.049  -4.661 -12.869
  273    HA   LYS  41           HA       LYS  41  -2.214  -2.263 -14.087
  274    HB2  LYS  41           1HB      LYS  41  -0.678  -3.216 -15.749
  275    HB3  LYS  41           2HB      LYS  41  -1.484  -4.773 -15.609
  276    HG2  LYS  41           1HG      LYS  41  -2.443  -3.926 -17.511
  277    HG3  LYS  41           2HG      LYS  41  -3.608  -3.427 -16.282
  278    HD2  LYS  41           1HD      LYS  41  -3.253  -1.532 -17.650
  279    HD3  LYS  41           2HD      LYS  41  -2.344  -1.235 -16.166
  280    HE2  LYS  41           1HE      LYS  41  -0.330  -1.399 -17.207
  281    HE3  LYS  41           2HE      LYS  41  -0.907  -2.591 -18.371
  282    HZ1  LYS  41           3HZ      LYS  41  -0.365  -0.366 -19.320
  283    HZ2  LYS  41           1HZ      LYS  41  -1.672   0.273 -18.457
  284    HZ3  LYS  41           2HZ      LYS  41  -1.936  -0.899 -19.647
  285    H    THR  42           H        THR  42  -2.712  -5.772 -14.436
  286    HA   THR  42           HA       THR  42  -5.559  -5.379 -13.929
  287    HB   THR  42           HB       THR  42  -5.906  -7.588 -14.792
  288    HG1  THR  42           HG1      THR  42  -4.182  -8.976 -15.227
  289   HG21  THR  42          3HG2      THR  42  -3.743  -6.360 -16.497
  290   HG22  THR  42          1HG2      THR  42  -5.388  -5.733 -16.411
  291   HG23  THR  42          2HG2      THR  42  -5.095  -7.360 -17.026
  292    H    ILE  43           H        ILE  43  -6.381  -7.719 -12.890
  293    HA   ILE  43           HA       ILE  43  -5.697  -7.455 -10.136
  294    HB   ILE  43           HB       ILE  43  -7.321  -9.611 -11.493
  295   HG12  ILE  43          1HG1      ILE  43  -8.269  -7.394 -11.871
  296   HG13  ILE  43          2HG1      ILE  43  -9.269  -8.294 -10.736
  297   HG21  ILE  43          1HG2      ILE  43  -8.093  -9.099  -8.798
  298   HG22  ILE  43          2HG2      ILE  43  -7.491 -10.594  -9.513
  299   HG23  ILE  43          3HG2      ILE  43  -6.359  -9.418  -8.844
  300   HD11  ILE  43          3HD1      ILE  43  -7.898  -5.778 -10.402
  301   HD12  ILE  43          1HD1      ILE  43  -9.170  -6.511  -9.426
  302   HD13  ILE  43          2HD1      ILE  43  -7.481  -6.924  -9.129
  303    HA   PRO  44           HA       PRO  44  -2.162 -10.193 -10.402
  304    HB2  PRO  44           1HB      PRO  44  -1.404  -9.860  -7.817
  305    HB3  PRO  44           2HB      PRO  44  -1.061  -8.672  -9.079
  306    HG2  PRO  44           1HG      PRO  44  -3.240  -8.680  -7.028
  307    HG3  PRO  44           2HG      PRO  44  -2.218  -7.336  -7.568
  308    HD2  PRO  44           1HD      PRO  44  -4.753  -7.686  -8.453
  309    HD3  PRO  44           2HD      PRO  44  -3.479  -6.975  -9.464
  310    H    LYS  45           H        LYS  45  -3.525 -12.067 -10.668
  311    HA   LYS  45           HA       LYS  45  -5.006 -13.349  -8.724
  312    HB2  LYS  45           1HB      LYS  45  -3.369 -14.494 -10.986
  313    HB3  LYS  45           2HB      LYS  45  -4.447 -15.467  -9.994
  314    HG2  LYS  45           1HG      LYS  45  -5.976 -13.285 -10.832
  315    HG3  LYS  45           2HG      LYS  45  -5.049 -13.789 -12.246
  316    HD2  LYS  45           1HD      LYS  45  -5.920 -15.985 -12.153
  317    HD3  LYS  45           2HD      LYS  45  -6.571 -15.737 -10.531
  318    HE2  LYS  45           1HE      LYS  45  -8.213 -14.192 -11.376
  319    HE3  LYS  45           2HE      LYS  45  -7.499 -14.252 -12.986
  320    HZ1  LYS  45           3HZ      LYS  45  -9.578 -15.706 -12.336
  321    HZ2  LYS  45           1HZ      LYS  45  -8.379 -16.774 -11.800
  322    HZ3  LYS  45           2HZ      LYS  45  -8.405 -16.273 -13.416
  323    H    GLY  46           H        GLY  46  -4.483 -15.384  -7.557
  324    HA2  GLY  46           1HA      GLY  46  -3.188 -16.646  -6.127
  325    HA3  GLY  46           2HA      GLY  46  -1.764 -16.000  -6.929
  326    H    MET  47           H        MET  47  -1.917 -16.442  -4.163
  327    HA   MET  47           HA       MET  47  -2.655 -14.312  -2.571
  328    HB2  MET  47           1HB      MET  47  -1.896 -16.373  -1.588
  329    HB3  MET  47           2HB      MET  47  -0.301 -16.186  -2.304
  330    HG2  MET  47           1HG      MET  47   0.319 -14.528  -0.818
  331    HG3  MET  47           2HG      MET  47  -1.349 -14.127  -0.415
  332    HE1  MET  47           3HE      MET  47   0.682 -15.316   2.705
  333    HE2  MET  47           1HE      MET  47   1.718 -15.993   1.447
  334    HE3  MET  47           2HE      MET  47   1.070 -14.361   1.273
  335    H    TRP  48           H        TRP  48  -2.250 -12.254  -3.139
  336    HA   TRP  48           HA       TRP  48   0.403 -11.507  -4.096
  337    HB2  TRP  48           1HB      TRP  48  -1.589 -10.649  -5.281
  338    HB3  TRP  48           2HB      TRP  48  -2.099  -9.829  -3.808
  339    HD1  TRP  48           HD1      TRP  48   0.559  -9.640  -6.568
  340    HE1  TRP  48           HE1      TRP  48   1.592  -7.282  -6.545
  341    HE3  TRP  48           HE3      TRP  48  -1.659  -7.823  -2.335
  342    HZ2  TRP  48           HZ2      TRP  48   1.482  -4.960  -4.943
  343    HZ3  TRP  48           HZ3      TRP  48  -1.141  -5.524  -1.626
  344    HH2  TRP  48           HH2      TRP  48   0.398  -4.125  -2.904
  345    H    ILE  49           H        ILE  49   1.719  -9.988  -3.082
  346    HA   ILE  49           HA       ILE  49   0.929  -9.075  -0.414
  347    HB   ILE  49           HB       ILE  49   3.569 -10.439  -0.951
  348   HG12  ILE  49          1HG1      ILE  49   1.247 -11.415   0.722
  349   HG13  ILE  49          2HG1      ILE  49   1.598 -11.984  -0.906
  350   HG21  ILE  49          1HG2      ILE  49   2.498  -8.830   1.264
  351   HG22  ILE  49          2HG2      ILE  49   3.301 -10.326   1.737
  352   HG23  ILE  49          3HG2      ILE  49   4.166  -9.127   0.777
  353   HD11  ILE  49          3HD1      ILE  49   3.952 -12.195   0.692
  354   HD12  ILE  49          1HD1      ILE  49   2.599 -12.959   1.526
  355   HD13  ILE  49          2HD1      ILE  49   3.027 -13.465  -0.109
  356    H    CYS  50           H        CYS  50   1.444  -7.011  -0.084
  357    HA   CYS  50           HA       CYS  50   2.480  -5.341  -2.023
  358    HB2  CYS  50           1HB      CYS  50   2.573  -3.635  -0.357
  359    HB3  CYS  50           2HB      CYS  50   1.208  -4.669   0.052
  360    HA   PRO  51           HA       PRO  51   6.844  -5.813  -2.020
  361    HB2  PRO  51           1HB      PRO  51   7.643  -3.281  -2.585
  362    HB3  PRO  51           2HB      PRO  51   6.882  -4.338  -3.781
  363    HG2  PRO  51           1HG      PRO  51   5.666  -2.148  -2.143
  364    HG3  PRO  51           2HG      PRO  51   5.428  -2.525  -3.859
  365    HD2  PRO  51           1HD      PRO  51   3.649  -3.247  -1.949
  366    HD3  PRO  51           2HD      PRO  51   3.929  -4.218  -3.408
  367    H    ARG  52           H        ARG  52   5.276  -3.781   0.239
  368    HA   ARG  52           HA       ARG  52   7.633  -2.906   1.627
  369    HB2  ARG  52           1HB      ARG  52   4.739  -2.531   1.863
  370    HB3  ARG  52           2HB      ARG  52   5.555  -2.648   3.416
  371    HG2  ARG  52           1HG      ARG  52   6.553  -0.808   1.275
  372    HG3  ARG  52           2HG      ARG  52   5.253  -0.332   2.368
  373    HD2  ARG  52           1HD      ARG  52   7.063   0.452   3.527
  374    HD3  ARG  52           2HD      ARG  52   6.938  -1.171   4.205
  375    HE   ARG  52           HE       ARG  52   8.651  -1.074   1.921
  376   HH11  ARG  52          1HH1      ARG  52   8.484  -0.464   5.345
  377   HH12  ARG  52          2HH1      ARG  52  10.183  -0.685   5.599
  378   HH21  ARG  52          1HH2      ARG  52  10.890  -1.367   2.244
  379   HH22  ARG  52          2HH2      ARG  52  11.551  -1.198   3.835
  380    H    CYS  53           H        CYS  53   5.578  -5.683   1.695
  381    HA   CYS  53           HA       CYS  53   6.465  -6.547   4.315
  382    HB2  CYS  53           1HB      CYS  53   4.577  -7.614   2.250
  383    HB3  CYS  53           2HB      CYS  53   5.189  -8.695   3.498
  384    H    GLN  54           H        GLN  54   6.759  -7.758   0.976
  385    HA   GLN  54           HA       GLN  54   8.430  -9.904   1.439
  386    HB2  GLN  54           1HB      GLN  54   8.350  -8.022  -0.922
  387    HB3  GLN  54           2HB      GLN  54   9.245  -9.535  -0.907
  388    HG2  GLN  54           1HG      GLN  54   6.375  -9.648  -0.195
  389    HG3  GLN  54           2HG      GLN  54   6.786  -9.331  -1.880
  390   HE21  GLN  54          1HE2      GLN  54   6.856 -11.076  -3.079
  391   HE22  GLN  54          2HE2      GLN  54   7.315 -12.659  -2.561
  392    H    ASP  55           H        ASP  55   9.183  -6.500   1.384
  393    HA   ASP  55           HA       ASP  55  11.973  -7.160   2.059
  394    HB2  ASP  55           1HB      ASP  55  11.040  -4.739   0.502
  395    HB3  ASP  55           2HB      ASP  55  12.705  -5.131   0.920
  396    H    GLN  56           H        GLN  56  11.706  -7.013   4.262
  397    HA   GLN  56           HA       GLN  56  10.260  -5.029   5.614
  398    HB2  GLN  56           1HB      GLN  56  11.812  -7.269   6.309
  399    HB3  GLN  56           2HB      GLN  56  12.531  -5.906   7.158
  400    HG2  GLN  56           1HG      GLN  56  10.612  -5.487   8.381
  401    HG3  GLN  56           2HG      GLN  56   9.579  -6.353   7.245
  402   HE21  GLN  56          1HE2      GLN  56   8.851  -8.201   7.984
  403   HE22  GLN  56          2HE2      GLN  56   9.653  -9.247   9.100
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -12.655   6.642  25.043
    2    HA2  GLY   1           1HA      GLY   1 -10.236   5.300  25.995
    3    HA3  GLY   1           2HA      GLY   1 -11.633   5.293  27.061
    4    H    SER   2           H        SER   2 -10.180   3.105  25.641
    5    HA   SER   2           HA       SER   2 -10.666   1.136  24.612
    6    HB2  SER   2           1HB      SER   2 -12.772   1.612  26.248
    7    HB3  SER   2           2HB      SER   2 -13.599   1.531  24.693
    8    HG   SER   2           HG       SER   2 -13.037  -0.534  24.476
    9    H    SER   3           H        SER   3 -10.245   3.380  22.966
   10    HA   SER   3           HA       SER   3 -12.025   2.779  20.694
   11    HB2  SER   3           1HB      SER   3 -10.658   5.368  21.447
   12    HB3  SER   3           2HB      SER   3 -11.397   5.089  19.870
   13    HG   SER   3           HG       SER   3 -12.849   4.676  22.252
   14    H    GLY   4           H        GLY   4 -10.423   0.985  20.409
   15    HA2  GLY   4           1HA      GLY   4  -7.790   1.749  19.465
   16    HA3  GLY   4           2HA      GLY   4  -8.430   0.116  19.571
   17    H    SER   5           H        SER   5  -7.034   1.686  17.395
   18    HA   SER   5           HA       SER   5  -9.071   1.695  15.305
   19    HB2  SER   5           1HB      SER   5  -7.603   3.602  15.284
   20    HB3  SER   5           2HB      SER   5  -6.175   2.568  15.322
   21    HG   SER   5           HG       SER   5  -7.656   3.381  13.203
   22    H    SER   6           H        SER   6  -9.342   0.078  13.916
   23    HA   SER   6           HA       SER   6  -7.134  -1.761  13.375
   24    HB2  SER   6           1HB      SER   6  -9.870  -2.855  14.006
   25    HB3  SER   6           2HB      SER   6  -8.337  -3.721  13.909
   26    HG   SER   6           HG       SER   6  -7.701  -2.778  15.823
   27    H    GLY   7           H        GLY   7  -6.925  -1.312  11.251
   28    HA2  GLY   7           1HA      GLY   7  -8.874  -2.307   9.430
   29    HA3  GLY   7           2HA      GLY   7  -8.893  -0.550   9.461
   30    H    HIS   8           H        HIS   8  -8.331  -1.577   7.105
   31    HA   HIS   8           HA       HIS   8  -5.397  -1.543   6.864
   32    HB2  HIS   8           1HB      HIS   8  -7.552  -2.809   5.195
   33    HB3  HIS   8           2HB      HIS   8  -5.964  -2.478   4.510
   34    HD2  HIS   8           HD2      HIS   8  -5.003  -5.038   4.392
   35    HE1  HIS   8           HE1      HIS   8  -5.579  -6.013   8.480
   36    HE2  HIS   8           HE2      HIS   8  -4.534  -6.720   6.300
   37    H    GLU   9           H        GLU   9  -6.923   0.849   7.194
   38    HA   GLU   9           HA       GLU   9  -7.121   2.942   6.325
   39    HB2  GLU   9           1HB      GLU   9  -5.197   2.020   4.190
   40    HB3  GLU   9           2HB      GLU   9  -5.472   3.666   4.743
   41    HG2  GLU   9           1HG      GLU   9  -4.740   2.223   7.020
   42    HG3  GLU   9           2HG      GLU   9  -3.655   1.682   5.740
   43    H    ASP  10           H        ASP  10  -7.208   4.000   3.831
   44    HA   ASP  10           HA       ASP  10  -8.803   2.410   2.048
   45    HB2  ASP  10           1HB      ASP  10 -10.070   4.444   3.847
   46    HB3  ASP  10           2HB      ASP  10 -10.709   4.204   2.224
   47    H    PHE  11           H        PHE  11  -6.380   4.128   2.105
   48    HA   PHE  11           HA       PHE  11  -7.017   5.676  -0.280
   49    HB2  PHE  11           1HB      PHE  11  -5.462   6.944   1.975
   50    HB3  PHE  11           2HB      PHE  11  -6.044   7.711   0.500
   51    HD1  PHE  11           HD2      PHE  11  -8.467   8.137   0.208
   52    HD2  PHE  11           HD1      PHE  11  -6.844   6.724   3.880
   53    HE1  PHE  11           HE2      PHE  11 -10.522   8.821   1.375
   54    HE2  PHE  11           HE1      PHE  11  -8.897   7.405   5.054
   55    HZ   PHE  11           HZ       PHE  11 -10.738   8.457   3.801
   56    H    CYS  12           H        CYS  12  -5.346   5.825  -1.725
   57    HA   CYS  12           HA       CYS  12  -3.365   3.904  -1.741
   58    HB2  CYS  12           1HB      CYS  12  -4.136   5.204  -3.722
   59    HB3  CYS  12           2HB      CYS  12  -3.232   6.591  -3.124
   60    H    SER  13           H        SER  13  -1.297   3.753  -1.043
   61    HA   SER  13           HA       SER  13  -0.392   5.814   0.819
   62    HB2  SER  13           1HB      SER  13  -0.408   3.096   1.040
   63    HB3  SER  13           2HB      SER  13   1.246   3.381   0.498
   64    HG   SER  13           HG       SER  13   0.771   3.453   2.861
   65    H    VAL  14           H        VAL  14  -0.264   6.473  -1.917
   66    HA   VAL  14           HA       VAL  14   2.588   6.995  -2.144
   67    HB   VAL  14           HB       VAL  14   1.053   5.664  -4.382
   68   HG11  VAL  14          1HG1      VAL  14   3.741   5.718  -5.037
   69   HG12  VAL  14          2HG1      VAL  14   2.475   6.738  -5.722
   70   HG13  VAL  14          3HG1      VAL  14   3.436   7.318  -4.361
   71   HG21  VAL  14          3HG2      VAL  14   3.371   4.687  -2.716
   72   HG22  VAL  14          1HG2      VAL  14   1.715   4.082  -2.664
   73   HG23  VAL  14          2HG2      VAL  14   2.694   3.851  -4.113
   74    H    CYS  15           H        CYS  15  -0.612   7.383  -3.633
   75    HA   CYS  15           HA       CYS  15   0.143  10.143  -4.340
   76    HB2  CYS  15           1HB      CYS  15  -1.441  10.041  -6.168
   77    HB3  CYS  15           2HB      CYS  15  -0.338   8.674  -6.288
   78    H    ARG  16           H        ARG  16  -2.085   8.100  -2.670
   79    HA   ARG  16           HA       ARG  16  -3.801   8.530  -1.240
   80    HB2  ARG  16           1HB      ARG  16  -2.161  10.969  -1.173
   81    HB3  ARG  16           2HB      ARG  16  -3.832  11.207  -0.678
   82    HG2  ARG  16           1HG      ARG  16  -2.295   8.936   0.481
   83    HG3  ARG  16           2HG      ARG  16  -1.990  10.573   1.065
   84    HD2  ARG  16           1HD      ARG  16  -4.469  10.788   1.431
   85    HD3  ARG  16           2HD      ARG  16  -4.596   9.064   1.084
   86    HE   ARG  16           HE       ARG  16  -3.708   8.607   3.153
   87   HH11  ARG  16          1HH1      ARG  16  -3.292  11.985   2.422
   88   HH12  ARG  16          2HH1      ARG  16  -2.768  12.401   4.020
   89   HH21  ARG  16          1HH2      ARG  16  -3.020   9.141   5.261
   90   HH22  ARG  16          2HH2      ARG  16  -2.613  10.782   5.634
   91    H    LYS  17           H        LYS  17  -5.353   8.061  -2.847
   92    HA   LYS  17           HA       LYS  17  -6.935  10.394  -3.625
   93    HB2  LYS  17           1HB      LYS  17  -5.593   8.507  -5.464
   94    HB3  LYS  17           2HB      LYS  17  -7.271   8.873  -5.841
   95    HG2  LYS  17           1HG      LYS  17  -5.155  10.968  -5.407
   96    HG3  LYS  17           2HG      LYS  17  -5.601  10.322  -6.988
   97    HD2  LYS  17           1HD      LYS  17  -8.026  11.009  -5.843
   98    HD3  LYS  17           2HD      LYS  17  -6.940  12.307  -5.341
   99    HE2  LYS  17           1HE      LYS  17  -6.214  12.327  -7.826
  100    HE3  LYS  17           2HE      LYS  17  -7.718  11.451  -8.104
  101    HZ1  LYS  17           3HZ      LYS  17  -7.599  14.041  -6.667
  102    HZ2  LYS  17           1HZ      LYS  17  -8.972  13.248  -7.258
  103    HZ3  LYS  17           2HZ      LYS  17  -7.856  13.923  -8.335
  104    H    SER  18           H        SER  18  -9.038   9.456  -4.792
  105    HA   SER  18           HA       SER  18 -10.083   7.414  -2.954
  106    HB2  SER  18           1HB      SER  18 -12.231   8.381  -3.205
  107    HB3  SER  18           2HB      SER  18 -11.128   9.749  -3.064
  108    HG   SER  18           HG       SER  18 -12.505   8.789  -5.312
  109    H    GLY  19           H        GLY  19 -11.402   5.727  -3.736
  110    HA2  GLY  19           1HA      GLY  19 -12.508   4.957  -5.930
  111    HA3  GLY  19           2HA      GLY  19 -10.870   5.069  -6.556
  112    H    GLN  20           H        GLN  20 -10.741   2.883  -7.056
  113    HA   GLN  20           HA       GLN  20 -11.143   0.921  -4.955
  114    HB2  GLN  20           1HB      GLN  20 -10.666   0.834  -7.892
  115    HB3  GLN  20           2HB      GLN  20 -10.185  -0.568  -6.945
  116    HG2  GLN  20           1HG      GLN  20 -12.273  -1.271  -7.195
  117    HG3  GLN  20           2HG      GLN  20 -12.712  -0.038  -6.014
  118   HE21  GLN  20          1HE2      GLN  20 -13.617   1.900  -6.725
  119   HE22  GLN  20          2HE2      GLN  20 -14.303   2.064  -8.302
  120    H    LEU  21           H        LEU  21  -9.588   0.015  -3.756
  121    HA   LEU  21           HA       LEU  21  -6.786   0.430  -4.550
  122    HB2  LEU  21           1HB      LEU  21  -8.169   1.235  -2.088
  123    HB3  LEU  21           2HB      LEU  21  -6.638   0.400  -1.836
  124    HG   LEU  21           HG       LEU  21  -6.696   2.676  -3.752
  125   HD11  LEU  21          1HD1      LEU  21  -6.730   4.341  -2.166
  126   HD12  LEU  21          2HD1      LEU  21  -6.324   3.243  -0.847
  127   HD13  LEU  21          3HD1      LEU  21  -7.948   3.232  -1.535
  128   HD21  LEU  21          3HD2      LEU  21  -4.465   2.701  -3.417
  129   HD22  LEU  21          1HD2      LEU  21  -4.742   1.041  -2.890
  130   HD23  LEU  21          2HD2      LEU  21  -4.608   2.333  -1.697
  131    H    LEU  22           H        LEU  22  -5.313  -1.174  -3.889
  132    HA   LEU  22           HA       LEU  22  -6.515  -3.789  -3.577
  133    HB2  LEU  22           1HB      LEU  22  -4.494  -3.068  -5.070
  134    HB3  LEU  22           2HB      LEU  22  -3.568  -3.307  -3.590
  135    HG   LEU  22           HG       LEU  22  -4.302  -5.646  -3.517
  136   HD11  LEU  22          1HD1      LEU  22  -5.268  -6.322  -5.931
  137   HD12  LEU  22          2HD1      LEU  22  -6.007  -4.733  -5.741
  138   HD13  LEU  22          3HD1      LEU  22  -6.287  -5.985  -4.531
  139   HD21  LEU  22          3HD2      LEU  22  -2.358  -4.587  -5.056
  140   HD22  LEU  22          1HD2      LEU  22  -3.300  -5.441  -6.278
  141   HD23  LEU  22          2HD2      LEU  22  -2.651  -6.320  -4.893
  142    H    MET  23           H        MET  23  -5.894  -5.302  -1.943
  143    HA   MET  23           HA       MET  23  -4.972  -4.024   0.547
  144    HB2  MET  23           1HB      MET  23  -6.991  -6.256   0.252
  145    HB3  MET  23           2HB      MET  23  -6.427  -5.582   1.775
  146    HG2  MET  23           1HG      MET  23  -7.314  -3.387   0.324
  147    HG3  MET  23           2HG      MET  23  -8.497  -4.652  -0.002
  148    HE1  MET  23           3HE      MET  23  -8.312  -1.698   1.797
  149    HE2  MET  23           1HE      MET  23  -9.866  -2.357   1.286
  150    HE3  MET  23           2HE      MET  23  -9.571  -2.016   2.991
  151    H    CYS  24           H        CYS  24  -3.422  -5.044   1.719
  152    HA   CYS  24           HA       CYS  24  -2.011  -7.210   0.424
  153    HB2  CYS  24           1HB      CYS  24  -0.766  -5.334   1.412
  154    HB3  CYS  24           2HB      CYS  24  -1.413  -5.737   2.999
  155    H    ASP  25           H        ASP  25  -1.649  -9.255   1.261
  156    HA   ASP  25           HA       ASP  25  -3.660 -10.155   3.182
  157    HB2  ASP  25           1HB      ASP  25  -2.900 -11.224   0.805
  158    HB3  ASP  25           2HB      ASP  25  -1.883 -12.144   1.911
  159    H    THR  26           H        THR  26  -1.613  -8.675   4.316
  160    HA   THR  26           HA       THR  26  -0.590 -10.562   6.227
  161    HB   THR  26           HB       THR  26   1.718  -9.050   5.454
  162    HG1  THR  26           HG1      THR  26   1.920  -9.521   3.361
  163   HG21  THR  26          3HG2      THR  26   2.775 -11.018   5.856
  164   HG22  THR  26          1HG2      THR  26   1.594 -11.962   4.949
  165   HG23  THR  26          2HG2      THR  26   1.228 -11.436   6.592
  166    H    CYS  27           H        CYS  27   0.384  -7.322   5.091
  167    HA   CYS  27           HA       CYS  27   0.248  -6.330   7.820
  168    HB2  CYS  27           1HB      CYS  27   1.321  -4.343   6.976
  169    HB3  CYS  27           2HB      CYS  27   2.148  -5.746   6.308
  170    H    SER  28           H        SER  28  -0.470  -3.729   7.534
  171    HA   SER  28           HA       SER  28  -3.256  -3.885   6.581
  172    HB2  SER  28           1HB      SER  28  -2.150  -2.495   9.029
  173    HB3  SER  28           2HB      SER  28  -3.787  -2.250   8.420
  174    HG   SER  28           HG       SER  28  -2.682  -4.745   9.208
  175    H    ARG  29           H        ARG  29  -2.042  -3.089   4.588
  176    HA   ARG  29           HA       ARG  29  -2.287  -0.185   4.518
  177    HB2  ARG  29           1HB      ARG  29   0.205  -1.681   3.697
  178    HB3  ARG  29           2HB      ARG  29  -0.140  -0.028   3.206
  179    HG2  ARG  29           1HG      ARG  29   1.038   0.516   5.027
  180    HG3  ARG  29           2HG      ARG  29  -0.459   0.155   5.890
  181    HD2  ARG  29           1HD      ARG  29   0.355  -2.206   6.119
  182    HD3  ARG  29           2HD      ARG  29   1.900  -1.669   5.461
  183    HE   ARG  29           HE       ARG  29   0.997  -0.164   7.746
  184   HH11  ARG  29          1HH1      ARG  29   2.783  -2.943   6.646
  185   HH12  ARG  29          2HH1      ARG  29   3.741  -3.059   8.084
  186   HH21  ARG  29          1HH2      ARG  29   2.252  -0.308   9.645
  187   HH22  ARG  29          2HH2      ARG  29   3.437  -1.561   9.790
  188    H    VAL  30           H        VAL  30  -2.928   0.619   2.546
  189    HA   VAL  30           HA       VAL  30  -3.621  -1.405   0.527
  190    HB   VAL  30           HB       VAL  30  -5.238   0.335  -0.312
  191   HG11  VAL  30          1HG1      VAL  30  -6.547  -1.096   0.793
  192   HG12  VAL  30          2HG1      VAL  30  -5.391  -1.261   2.117
  193   HG13  VAL  30          3HG1      VAL  30  -6.534   0.083   2.105
  194   HG21  VAL  30          3HG2      VAL  30  -4.142   2.281   0.718
  195   HG22  VAL  30          1HG2      VAL  30  -5.843   2.162   1.171
  196   HG23  VAL  30          2HG2      VAL  30  -4.590   1.677   2.313
  197    H    TYR  31           H        TYR  31  -3.311  -0.951  -1.689
  198    HA   TYR  31           HA       TYR  31  -1.755   1.394  -2.420
  199    HB2  TYR  31           1HB      TYR  31  -0.703  -1.389  -2.963
  200    HB3  TYR  31           2HB      TYR  31   0.060   0.131  -3.418
  201    HD1  TYR  31           HD1      TYR  31   1.002   1.613  -1.648
  202    HD2  TYR  31           HD2      TYR  31  -0.431  -2.299  -0.783
  203    HE1  TYR  31           HE1      TYR  31   2.229   1.641   0.484
  204    HE2  TYR  31           HE2      TYR  31   0.791  -2.281   1.351
  205    HH   TYR  31           HH       TYR  31   2.000  -1.059   2.771
  206    H    HIS  32           H        HIS  32  -2.212   2.078  -4.429
  207    HA   HIS  32           HA       HIS  32  -4.368   1.046  -5.864
  208    HB2  HIS  32           1HB      HIS  32  -2.228   3.042  -6.427
  209    HB3  HIS  32           2HB      HIS  32  -3.180   2.457  -7.788
  210    HD2  HIS  32           HD2      HIS  32  -6.014   2.405  -5.825
  211    HE1  HIS  32           HE1      HIS  32  -5.380   6.596  -6.009
  212    HE2  HIS  32           HE2      HIS  32  -7.000   4.761  -5.416
  213    H    LEU  33           H        LEU  33  -3.988   0.651  -8.400
  214    HA   LEU  33           HA       LEU  33  -2.443  -1.814  -8.512
  215    HB2  LEU  33           1HB      LEU  33  -4.598  -0.585 -10.169
  216    HB3  LEU  33           2HB      LEU  33  -3.561  -1.820 -10.881
  217    HG   LEU  33           HG       LEU  33  -5.274  -2.186  -8.423
  218   HD11  LEU  33          1HD1      LEU  33  -6.529  -1.907 -10.562
  219   HD12  LEU  33          2HD1      LEU  33  -6.740  -3.480  -9.793
  220   HD13  LEU  33          3HD1      LEU  33  -5.672  -3.316 -11.186
  221   HD21  LEU  33          3HD2      LEU  33  -3.267  -3.874  -9.820
  222   HD22  LEU  33          1HD2      LEU  33  -4.710  -4.657  -9.176
  223   HD23  LEU  33          2HD2      LEU  33  -3.646  -3.750  -8.101
  224    H    ASP  34           H        ASP  34  -2.353   1.436  -9.700
  225    HA   ASP  34           HA       ASP  34  -0.189   0.776 -11.566
  226    HB2  ASP  34           1HB      ASP  34  -1.399   3.509 -11.238
  227    HB3  ASP  34           2HB      ASP  34  -0.593   2.821 -12.644
  228    H    CYS  35           H        CYS  35  -0.790   2.137  -8.482
  229    HA   CYS  35           HA       CYS  35   1.823   3.457  -8.404
  230    HB2  CYS  35           1HB      CYS  35  -0.276   3.426  -6.234
  231    HB3  CYS  35           2HB      CYS  35   1.090   4.526  -6.393
  232    H    LEU  36           H        LEU  36   2.407   0.955  -8.631
  233    HA   LEU  36           HA       LEU  36   2.917  -0.023  -5.898
  234    HB2  LEU  36           1HB      LEU  36   2.232  -1.500  -8.412
  235    HB3  LEU  36           2HB      LEU  36   3.125  -2.295  -7.116
  236    HG   LEU  36           HG       LEU  36   0.361  -1.104  -6.888
  237   HD11  LEU  36          1HD1      LEU  36   0.358  -3.842  -6.315
  238   HD12  LEU  36          2HD1      LEU  36   1.302  -3.662  -7.794
  239   HD13  LEU  36          3HD1      LEU  36  -0.345  -3.035  -7.717
  240   HD21  LEU  36          3HD2      LEU  36   2.111  -2.536  -4.896
  241   HD22  LEU  36          1HD2      LEU  36   0.380  -2.273  -4.681
  242   HD23  LEU  36          2HD2      LEU  36   1.474  -0.894  -4.785
  243    H    ASP  37           H        ASP  37   4.791  -1.821  -6.152
  244    HA   ASP  37           HA       ASP  37   6.892  -0.905  -7.941
  245    HB2  ASP  37           1HB      ASP  37   6.759  -0.022  -5.239
  246    HB3  ASP  37           2HB      ASP  37   8.103  -1.154  -5.366
  247    HA   PRO  38           HA       PRO  38   7.482  -1.817  -9.477
  248    HB2  PRO  38           1HB      PRO  38   6.716  -3.709 -11.268
  249    HB3  PRO  38           2HB      PRO  38   8.384  -3.535 -10.708
  250    HG2  PRO  38           1HG      PRO  38   6.274  -5.460  -9.809
  251    HG3  PRO  38           2HG      PRO  38   7.993  -5.755 -10.135
  252    HD2  PRO  38           1HD      PRO  38   7.017  -5.445  -7.628
  253    HD3  PRO  38           2HD      PRO  38   8.652  -4.927  -8.087
  254    HA   PRO  39           HA       PRO  39   3.232  -0.803  -9.971
  255    HB2  PRO  39           1HB      PRO  39   3.060  -0.184 -12.609
  256    HB3  PRO  39           2HB      PRO  39   3.882   0.847 -11.432
  257    HG2  PRO  39           1HG      PRO  39   5.044  -1.131 -13.355
  258    HG3  PRO  39           2HG      PRO  39   5.614   0.497 -12.943
  259    HD2  PRO  39           1HD      PRO  39   6.724  -1.741 -11.900
  260    HD3  PRO  39           2HD      PRO  39   6.632  -0.213 -11.001
  261    H    LEU  40           H        LEU  40   1.210  -1.525 -10.733
  262    HA   LEU  40           HA       LEU  40   1.281  -4.104 -12.157
  263    HB2  LEU  40           1HB      LEU  40  -0.048  -3.268  -9.681
  264    HB3  LEU  40           2HB      LEU  40  -1.087  -4.141 -10.807
  265    HG   LEU  40           HG       LEU  40   1.510  -5.152  -9.646
  266   HD11  LEU  40          1HD1      LEU  40   0.342  -6.193  -8.042
  267   HD12  LEU  40          2HD1      LEU  40  -1.000  -6.570  -9.122
  268   HD13  LEU  40          3HD1      LEU  40  -0.888  -4.975  -8.379
  269   HD21  LEU  40          3HD2      LEU  40   0.704  -7.316 -10.668
  270   HD22  LEU  40          1HD2      LEU  40   1.280  -6.095 -11.803
  271   HD23  LEU  40          2HD2      LEU  40  -0.451  -6.351 -11.588
  272    H    LYS  41           H        LYS  41  -1.131  -4.597 -12.921
  273    HA   LYS  41           HA       LYS  41  -2.297  -2.184 -14.108
  274    HB2  LYS  41           1HB      LYS  41  -0.783  -3.123 -15.791
  275    HB3  LYS  41           2HB      LYS  41  -1.579  -4.685 -15.649
  276    HG2  LYS  41           1HG      LYS  41  -3.440  -3.997 -16.795
  277    HG3  LYS  41           2HG      LYS  41  -3.209  -2.300 -16.368
  278    HD2  LYS  41           1HD      LYS  41  -1.554  -1.996 -17.988
  279    HD3  LYS  41           2HD      LYS  41  -1.259  -3.730 -18.144
  280    HE2  LYS  41           1HE      LYS  41  -3.926  -2.572 -18.856
  281    HE3  LYS  41           2HE      LYS  41  -2.584  -2.484 -19.996
  282    HZ1  LYS  41           3HZ      LYS  41  -3.292  -4.492 -20.627
  283    HZ2  LYS  41           1HZ      LYS  41  -4.187  -4.748 -19.214
  284    HZ3  LYS  41           2HZ      LYS  41  -2.525  -5.064 -19.231
  285    H    THR  42           H        THR  42  -2.807  -5.693 -14.455
  286    HA   THR  42           HA       THR  42  -5.653  -5.290 -13.947
  287    HB   THR  42           HB       THR  42  -6.016  -7.481 -14.820
  288    HG1  THR  42           HG1      THR  42  -4.027  -8.711 -15.453
  289   HG21  THR  42          3HG2      THR  42  -3.775  -6.493 -16.551
  290   HG22  THR  42          1HG2      THR  42  -5.265  -5.564 -16.390
  291   HG23  THR  42          2HG2      THR  42  -5.315  -7.208 -17.027
  292    H    ILE  43           H        ILE  43  -6.479  -7.624 -12.897
  293    HA   ILE  43           HA       ILE  43  -5.794  -7.348 -10.144
  294    HB   ILE  43           HB       ILE  43  -7.421  -9.508 -11.490
  295   HG12  ILE  43          1HG1      ILE  43  -8.432  -7.083 -10.006
  296   HG13  ILE  43          2HG1      ILE  43  -8.197  -7.096 -11.751
  297   HG21  ILE  43          1HG2      ILE  43  -6.461  -9.298  -8.840
  298   HG22  ILE  43          2HG2      ILE  43  -8.195  -8.985  -8.800
  299   HG23  ILE  43          3HG2      ILE  43  -7.585 -10.483  -9.504
  300   HD11  ILE  43          3HD1      ILE  43  -9.740  -9.098 -11.800
  301   HD12  ILE  43          1HD1      ILE  43 -10.127  -8.713 -10.124
  302   HD13  ILE  43          2HD1      ILE  43 -10.471  -7.544 -11.399
  303    HA   PRO  44           HA       PRO  44  -2.263 -10.093 -10.400
  304    HB2  PRO  44           1HB      PRO  44  -1.502  -9.749  -7.817
  305    HB3  PRO  44           2HB      PRO  44  -1.158  -8.567  -9.085
  306    HG2  PRO  44           1HG      PRO  44  -3.336  -8.562  -7.032
  307    HG3  PRO  44           2HG      PRO  44  -2.312  -7.222  -7.580
  308    HD2  PRO  44           1HD      PRO  44  -4.849  -7.572  -8.461
  309    HD3  PRO  44           2HD      PRO  44  -3.574  -6.868  -9.477
  310    H    LYS  45           H        LYS  45  -3.715 -11.933 -10.653
  311    HA   LYS  45           HA       LYS  45  -5.144 -13.203  -8.662
  312    HB2  LYS  45           1HB      LYS  45  -4.157 -13.862 -11.277
  313    HB3  LYS  45           2HB      LYS  45  -3.939 -15.243 -10.209
  314    HG2  LYS  45           1HG      LYS  45  -6.362 -14.976  -9.566
  315    HG3  LYS  45           2HG      LYS  45  -6.496 -13.821 -10.894
  316    HD2  LYS  45           1HD      LYS  45  -5.832 -15.518 -12.485
  317    HD3  LYS  45           2HD      LYS  45  -5.552 -16.674 -11.180
  318    HE2  LYS  45           1HE      LYS  45  -8.097 -16.004 -10.653
  319    HE3  LYS  45           2HE      LYS  45  -8.083 -15.749 -12.397
  320    HZ1  LYS  45           3HZ      LYS  45  -8.516 -17.932 -12.456
  321    HZ2  LYS  45           1HZ      LYS  45  -7.938 -18.213 -10.891
  322    HZ3  LYS  45           2HZ      LYS  45  -6.857 -18.120 -12.188
  323    H    GLY  46           H        GLY  46  -4.632 -15.225  -7.499
  324    HA2  GLY  46           1HA      GLY  46  -3.296 -16.550  -6.159
  325    HA3  GLY  46           2HA      GLY  46  -1.891 -15.900  -6.992
  326    H    MET  47           H        MET  47  -1.962 -16.392  -4.232
  327    HA   MET  47           HA       MET  47  -2.633 -14.286  -2.579
  328    HB2  MET  47           1HB      MET  47  -1.879 -16.342  -1.623
  329    HB3  MET  47           2HB      MET  47  -0.321 -16.219  -2.430
  330    HG2  MET  47           1HG      MET  47   0.535 -14.889  -0.851
  331    HG3  MET  47           2HG      MET  47  -0.953 -13.961  -0.682
  332    HE1  MET  47           3HE      MET  47   1.081 -14.613   1.317
  333    HE2  MET  47           1HE      MET  47  -0.181 -14.343   2.519
  334    HE3  MET  47           2HE      MET  47   0.736 -15.849   2.527
  335    H    TRP  48           H        TRP  48  -2.226 -12.222  -3.126
  336    HA   TRP  48           HA       TRP  48   0.419 -11.486  -4.124
  337    HB2  TRP  48           1HB      TRP  48  -1.593 -10.617  -5.280
  338    HB3  TRP  48           2HB      TRP  48  -2.064  -9.786  -3.800
  339    HD1  TRP  48           HD1      TRP  48   0.557  -9.646  -6.601
  340    HE1  TRP  48           HE1      TRP  48   1.616  -7.300  -6.609
  341    HE3  TRP  48           HE3      TRP  48  -1.588  -7.773  -2.355
  342    HZ2  TRP  48           HZ2      TRP  48   1.551  -4.964  -5.025
  343    HZ3  TRP  48           HZ3      TRP  48  -1.037  -5.474  -1.671
  344    HH2  TRP  48           HH2      TRP  48   0.501  -4.101  -2.979
  345    H    ILE  49           H        ILE  49   1.761  -9.999  -3.110
  346    HA   ILE  49           HA       ILE  49   0.999  -9.085  -0.433
  347    HB   ILE  49           HB       ILE  49   3.663 -10.396  -0.965
  348   HG12  ILE  49          1HG1      ILE  49   1.256 -11.529   0.477
  349   HG13  ILE  49          2HG1      ILE  49   1.830 -12.046  -1.105
  350   HG21  ILE  49          1HG2      ILE  49   2.959 -10.356   1.770
  351   HG22  ILE  49          2HG2      ILE  49   4.255  -9.475   0.963
  352   HG23  ILE  49          3HG2      ILE  49   2.659  -8.742   1.126
  353   HD11  ILE  49          3HD1      ILE  49   2.616 -12.959   1.458
  354   HD12  ILE  49          1HD1      ILE  49   3.155 -13.513  -0.127
  355   HD13  ILE  49          2HD1      ILE  49   4.009 -12.202   0.687
  356    H    CYS  50           H        CYS  50   1.498  -7.016  -0.131
  357    HA   CYS  50           HA       CYS  50   2.554  -5.360  -2.070
  358    HB2  CYS  50           1HB      CYS  50   2.634  -3.644  -0.414
  359    HB3  CYS  50           2HB      CYS  50   1.264  -4.674  -0.010
  360    HA   PRO  51           HA       PRO  51   6.917  -5.838  -2.026
  361    HB2  PRO  51           1HB      PRO  51   7.724  -3.311  -2.601
  362    HB3  PRO  51           2HB      PRO  51   6.973  -4.375  -3.796
  363    HG2  PRO  51           1HG      PRO  51   5.744  -2.172  -2.184
  364    HG3  PRO  51           2HG      PRO  51   5.521  -2.561  -3.899
  365    HD2  PRO  51           1HD      PRO  51   3.725  -3.267  -2.000
  366    HD3  PRO  51           2HD      PRO  51   4.016  -4.248  -3.451
  367    H    ARG  52           H        ARG  52   5.330  -3.795   0.208
  368    HA   ARG  52           HA       ARG  52   7.679  -2.915   1.611
  369    HB2  ARG  52           1HB      ARG  52   4.854  -2.385   1.694
  370    HB3  ARG  52           2HB      ARG  52   5.436  -2.745   3.314
  371    HG2  ARG  52           1HG      ARG  52   6.795  -0.747   1.535
  372    HG3  ARG  52           2HG      ARG  52   5.451  -0.315   2.595
  373    HD2  ARG  52           1HD      ARG  52   7.207   0.145   3.982
  374    HD3  ARG  52           2HD      ARG  52   6.928  -1.545   4.398
  375    HE   ARG  52           HE       ARG  52   8.990  -2.032   3.558
  376   HH11  ARG  52          1HH1      ARG  52   7.941   1.011   2.232
  377   HH12  ARG  52          2HH1      ARG  52   9.442   1.325   1.424
  378   HH21  ARG  52          1HH2      ARG  52  10.970  -1.630   2.500
  379   HH22  ARG  52          2HH2      ARG  52  11.164  -0.178   1.576
  380    H    CYS  53           H        CYS  53   5.623  -5.688   1.669
  381    HA   CYS  53           HA       CYS  53   6.462  -6.533   4.310
  382    HB2  CYS  53           1HB      CYS  53   4.610  -7.608   2.219
  383    HB3  CYS  53           2HB      CYS  53   5.208  -8.691   3.471
  384    H    GLN  54           H        GLN  54   6.773  -7.839   1.005
  385    HA   GLN  54           HA       GLN  54   8.479  -9.940   1.542
  386    HB2  GLN  54           1HB      GLN  54   8.325  -8.158  -0.889
  387    HB3  GLN  54           2HB      GLN  54   9.288  -9.627  -0.826
  388    HG2  GLN  54           1HG      GLN  54   6.460  -9.902  -0.048
  389    HG3  GLN  54           2HG      GLN  54   6.771  -9.527  -1.743
  390   HE21  GLN  54          1HE2      GLN  54   6.867 -11.250  -2.972
  391   HE22  GLN  54          2HE2      GLN  54   7.464 -12.805  -2.514
  392    H    ASP  55           H        ASP  55   9.191  -6.529   1.301
  393    HA   ASP  55           HA       ASP  55  12.057  -7.078   1.629
  394    HB2  ASP  55           1HB      ASP  55  10.504  -4.719   0.623
  395    HB3  ASP  55           2HB      ASP  55  12.129  -4.484   1.261
  396    H    GLN  56           H        GLN  56  11.599  -7.735   3.870
  397    HA   GLN  56           HA       GLN  56  10.564  -5.993   5.808
  398    HB2  GLN  56           1HB      GLN  56  11.827  -8.566   5.746
  399    HB3  GLN  56           2HB      GLN  56  12.540  -7.606   7.036
  400    HG2  GLN  56           1HG      GLN  56  10.609  -7.521   8.237
  401    HG3  GLN  56           2HG      GLN  56   9.584  -7.653   6.809
  402   HE21  GLN  56          1HE2      GLN  56  12.218  -9.667   8.061
  403   HE22  GLN  56          2HE2      GLN  56  11.299 -11.127   8.133
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -11.387   2.451  26.600
    2    HA2  GLY   1           1HA      GLY   1 -12.664   1.985  24.458
    3    HA3  GLY   1           2HA      GLY   1 -11.281   3.052  24.265
    4    H    SER   2           H        SER   2  -9.981   2.553  22.643
    5    HA   SER   2           HA       SER   2  -9.700  -0.281  21.888
    6    HB2  SER   2           1HB      SER   2 -10.274   2.107  20.178
    7    HB3  SER   2           2HB      SER   2  -9.312   0.790  19.507
    8    HG   SER   2           HG       SER   2 -11.010  -0.514  19.574
    9    H    SER   3           H        SER   3  -7.684  -0.883  20.963
   10    HA   SER   3           HA       SER   3  -5.459   0.499  22.130
   11    HB2  SER   3           1HB      SER   3  -5.124  -1.702  20.124
   12    HB3  SER   3           2HB      SER   3  -4.190  -1.369  21.582
   13    HG   SER   3           HG       SER   3  -5.468  -2.666  22.610
   14    H    GLY   4           H        GLY   4  -6.705   0.019  18.857
   15    HA2  GLY   4           1HA      GLY   4  -6.487   1.793  17.236
   16    HA3  GLY   4           2HA      GLY   4  -4.948   2.213  17.972
   17    H    SER   5           H        SER   5  -5.980  -1.056  17.191
   18    HA   SER   5           HA       SER   5  -4.009  -1.111  15.005
   19    HB2  SER   5           1HB      SER   5  -4.392  -3.519  16.746
   20    HB3  SER   5           2HB      SER   5  -2.991  -3.046  15.785
   21    HG   SER   5           HG       SER   5  -3.820  -2.114  18.306
   22    H    SER   6           H        SER   6  -6.803  -0.747  14.747
   23    HA   SER   6           HA       SER   6  -7.511  -3.240  13.352
   24    HB2  SER   6           1HB      SER   6  -8.791  -2.534  15.601
   25    HB3  SER   6           2HB      SER   6  -9.725  -1.583  14.447
   26    HG   SER   6           HG       SER   6 -10.296  -3.433  13.386
   27    H    GLY   7           H        GLY   7  -7.342  -2.747  11.258
   28    HA2  GLY   7           1HA      GLY   7  -9.014  -1.421   9.699
   29    HA3  GLY   7           2HA      GLY   7  -8.074  -0.076  10.327
   30    H    HIS   8           H        HIS   8  -8.274  -0.826   7.588
   31    HA   HIS   8           HA       HIS   8  -5.459  -1.511   7.068
   32    HB2  HIS   8           1HB      HIS   8  -7.941  -2.594   5.801
   33    HB3  HIS   8           2HB      HIS   8  -6.493  -2.418   4.814
   34    HD2  HIS   8           HD2      HIS   8  -5.479  -4.922   4.672
   35    HE1  HIS   8           HE1      HIS   8  -5.839  -5.943   8.774
   36    HE2  HIS   8           HE2      HIS   8  -4.940  -6.642   6.527
   37    H    GLU   9           H        GLU   9  -6.911   1.070   7.323
   38    HA   GLU   9           HA       GLU   9  -6.956   3.112   6.321
   39    HB2  GLU   9           1HB      GLU   9  -5.010   1.937   4.334
   40    HB3  GLU   9           2HB      GLU   9  -5.224   3.635   4.738
   41    HG2  GLU   9           1HG      GLU   9  -4.292   1.564   6.706
   42    HG3  GLU   9           2HG      GLU   9  -3.204   2.544   5.725
   43    H    ASP  10           H        ASP  10  -7.115   4.151   3.942
   44    HA   ASP  10           HA       ASP  10  -8.608   2.520   2.088
   45    HB2  ASP  10           1HB      ASP  10  -9.946   4.678   3.716
   46    HB3  ASP  10           2HB      ASP  10 -10.585   4.135   2.167
   47    H    PHE  11           H        PHE  11  -6.189   4.185   2.138
   48    HA   PHE  11           HA       PHE  11  -6.800   5.777  -0.226
   49    HB2  PHE  11           1HB      PHE  11  -5.199   6.979   2.033
   50    HB3  PHE  11           2HB      PHE  11  -5.774   7.778   0.573
   51    HD1  PHE  11           HD1      PHE  11  -6.689   6.539   3.886
   52    HD2  PHE  11           HD2      PHE  11  -8.070   8.496   0.367
   53    HE1  PHE  11           HE1      PHE  11  -8.716   7.255   5.083
   54    HE2  PHE  11           HE2      PHE  11 -10.098   9.216   1.559
   55    HZ   PHE  11           HZ       PHE  11 -10.423   8.596   3.921
   56    H    CYS  12           H        CYS  12  -5.148   5.870  -1.687
   57    HA   CYS  12           HA       CYS  12  -3.206   3.910  -1.718
   58    HB2  CYS  12           1HB      CYS  12  -3.970   5.211  -3.697
   59    HB3  CYS  12           2HB      CYS  12  -3.041   6.589  -3.114
   60    H    SER  13           H        SER  13  -1.126   3.726  -1.056
   61    HA   SER  13           HA       SER  13  -0.163   5.769   0.798
   62    HB2  SER  13           1HB      SER  13  -0.205   3.035   0.983
   63    HB3  SER  13           2HB      SER  13   1.455   3.334   0.465
   64    HG   SER  13           HG       SER  13   1.359   5.008   2.244
   65    H    VAL  14           H        VAL  14  -0.064   6.434  -1.938
   66    HA   VAL  14           HA       VAL  14   2.791   6.913  -2.206
   67    HB   VAL  14           HB       VAL  14   1.203   5.615  -4.425
   68   HG11  VAL  14          1HG1      VAL  14   2.667   6.485  -5.846
   69   HG12  VAL  14          2HG1      VAL  14   3.466   7.333  -4.521
   70   HG13  VAL  14          3HG1      VAL  14   3.983   5.707  -4.968
   71   HG21  VAL  14          3HG2      VAL  14   1.867   4.016  -2.719
   72   HG22  VAL  14          1HG2      VAL  14   2.815   3.775  -4.186
   73   HG23  VAL  14          2HG2      VAL  14   3.531   4.594  -2.798
   74    H    CYS  15           H        CYS  15  -0.423   7.356  -3.647
   75    HA   CYS  15           HA       CYS  15   0.364  10.108  -4.353
   76    HB2  CYS  15           1HB      CYS  15  -1.264  10.034  -6.153
   77    HB3  CYS  15           2HB      CYS  15  -0.157   8.674  -6.307
   78    H    ARG  16           H        ARG  16  -1.878   8.089  -2.669
   79    HA   ARG  16           HA       ARG  16  -3.560   8.540  -1.207
   80    HB2  ARG  16           1HB      ARG  16  -2.700  11.428  -1.290
   81    HB3  ARG  16           2HB      ARG  16  -3.510  10.576   0.019
   82    HG2  ARG  16           1HG      ARG  16  -1.302   9.104  -0.095
   83    HG3  ARG  16           2HG      ARG  16  -0.652  10.610  -0.746
   84    HD2  ARG  16           1HD      ARG  16  -0.378  11.227   1.383
   85    HD3  ARG  16           2HD      ARG  16  -2.126  11.460   1.410
   86    HE   ARG  16           HE       ARG  16  -1.400   8.765   1.990
   87   HH11  ARG  16          1HH1      ARG  16  -1.648  11.956   3.359
   88   HH12  ARG  16          2HH1      ARG  16  -1.864  11.386   4.981
   89   HH21  ARG  16          1HH2      ARG  16  -1.683   8.001   4.121
   90   HH22  ARG  16          2HH2      ARG  16  -1.882   9.136   5.413
   91    H    LYS  17           H        LYS  17  -5.127   8.076  -2.809
   92    HA   LYS  17           HA       LYS  17  -6.714  10.416  -3.554
   93    HB2  LYS  17           1HB      LYS  17  -5.319   8.631  -5.414
   94    HB3  LYS  17           2HB      LYS  17  -7.034   8.805  -5.761
   95    HG2  LYS  17           1HG      LYS  17  -6.822  11.174  -5.974
   96    HG3  LYS  17           2HG      LYS  17  -5.154  11.126  -5.399
   97    HD2  LYS  17           1HD      LYS  17  -4.346  10.411  -7.394
   98    HD3  LYS  17           2HD      LYS  17  -5.784   9.451  -7.753
   99    HE2  LYS  17           1HE      LYS  17  -6.962  11.306  -8.551
  100    HE3  LYS  17           2HE      LYS  17  -5.869  12.449  -7.774
  101    HZ1  LYS  17           3HZ      LYS  17  -4.577  12.476  -9.560
  102    HZ2  LYS  17           1HZ      LYS  17  -5.768  11.598 -10.380
  103    HZ3  LYS  17           2HZ      LYS  17  -4.489  10.788  -9.626
  104    H    SER  18           H        SER  18  -8.899   9.692  -4.448
  105    HA   SER  18           HA       SER  18  -9.907   7.591  -2.687
  106    HB2  SER  18           1HB      SER  18 -12.014   8.600  -2.848
  107    HB3  SER  18           2HB      SER  18 -10.914   9.977  -2.907
  108    HG   SER  18           HG       SER  18 -12.709   9.203  -4.723
  109    H    GLY  19           H        GLY  19 -11.183   5.870  -3.415
  110    HA2  GLY  19           1HA      GLY  19 -12.344   5.064  -5.572
  111    HA3  GLY  19           2HA      GLY  19 -10.723   5.185  -6.241
  112    H    GLN  20           H        GLN  20 -11.049   2.890  -6.722
  113    HA   GLN  20           HA       GLN  20 -11.181   1.018  -4.550
  114    HB2  GLN  20           1HB      GLN  20 -11.572   0.914  -7.321
  115    HB3  GLN  20           2HB      GLN  20 -10.175  -0.109  -7.017
  116    HG2  GLN  20           1HG      GLN  20 -11.370  -1.629  -5.808
  117    HG3  GLN  20           2HG      GLN  20 -12.562  -0.441  -5.285
  118   HE21  GLN  20          1HE2      GLN  20 -13.370  -2.881  -6.172
  119   HE22  GLN  20          2HE2      GLN  20 -14.158  -2.725  -7.701
  120    H    LEU  21           H        LEU  21  -9.559   0.065  -3.475
  121    HA   LEU  21           HA       LEU  21  -6.817   0.422  -4.482
  122    HB2  LEU  21           1HB      LEU  21  -7.994   1.262  -1.926
  123    HB3  LEU  21           2HB      LEU  21  -6.464   0.398  -1.787
  124    HG   LEU  21           HG       LEU  21  -6.578   2.635  -3.729
  125   HD11  LEU  21          1HD1      LEU  21  -7.789   3.336  -1.575
  126   HD12  LEU  21          2HD1      LEU  21  -6.474   4.352  -2.163
  127   HD13  LEU  21          3HD1      LEU  21  -6.197   3.243  -0.821
  128   HD21  LEU  21          3HD2      LEU  21  -4.339   2.656  -3.446
  129   HD22  LEU  21          1HD2      LEU  21  -4.617   1.014  -2.864
  130   HD23  LEU  21          2HD2      LEU  21  -4.444   2.340  -1.713
  131    H    LEU  22           H        LEU  22  -5.322  -1.202  -3.899
  132    HA   LEU  22           HA       LEU  22  -6.523  -3.803  -3.570
  133    HB2  LEU  22           1HB      LEU  22  -4.508  -3.082  -5.060
  134    HB3  LEU  22           2HB      LEU  22  -3.574  -3.320  -3.585
  135    HG   LEU  22           HG       LEU  22  -4.301  -5.662  -3.511
  136   HD11  LEU  22          1HD1      LEU  22  -5.881  -4.820  -5.902
  137   HD12  LEU  22          2HD1      LEU  22  -6.373  -5.793  -4.516
  138   HD13  LEU  22          3HD1      LEU  22  -5.323  -6.486  -5.751
  139   HD21  LEU  22          3HD2      LEU  22  -2.401  -4.553  -5.127
  140   HD22  LEU  22          1HD2      LEU  22  -3.322  -5.538  -6.264
  141   HD23  LEU  22          2HD2      LEU  22  -2.605  -6.281  -4.834
  142    H    MET  23           H        MET  23  -5.908  -5.339  -1.956
  143    HA   MET  23           HA       MET  23  -4.988  -4.096   0.553
  144    HB2  MET  23           1HB      MET  23  -7.035  -6.289   0.179
  145    HB3  MET  23           2HB      MET  23  -6.426  -5.744   1.736
  146    HG2  MET  23           1HG      MET  23  -7.293  -3.438   0.414
  147    HG3  MET  23           2HG      MET  23  -8.527  -4.660   0.114
  148    HE1  MET  23           3HE      MET  23  -9.494  -2.146   3.172
  149    HE2  MET  23           1HE      MET  23  -8.627  -1.868   1.662
  150    HE3  MET  23           2HE      MET  23 -10.160  -2.740   1.650
  151    H    CYS  24           H        CYS  24  -3.506  -5.187   1.784
  152    HA   CYS  24           HA       CYS  24  -2.063  -7.315   0.438
  153    HB2  CYS  24           1HB      CYS  24  -0.823  -5.444   1.448
  154    HB3  CYS  24           2HB      CYS  24  -1.465  -5.873   3.030
  155    H    ASP  25           H        ASP  25  -1.701  -9.367   1.258
  156    HA   ASP  25           HA       ASP  25  -3.720 -10.287   3.160
  157    HB2  ASP  25           1HB      ASP  25  -2.930 -11.337   0.783
  158    HB3  ASP  25           2HB      ASP  25  -1.925 -12.262   1.895
  159    H    THR  26           H        THR  26  -1.651  -8.799   4.289
  160    HA   THR  26           HA       THR  26  -0.651 -10.695   6.211
  161    HB   THR  26           HB       THR  26   1.657  -9.169   5.457
  162    HG1  THR  26           HG1      THR  26   0.892 -10.939   3.394
  163   HG21  THR  26          3HG2      THR  26   0.910 -12.053   5.722
  164   HG22  THR  26          1HG2      THR  26   2.062 -11.105   6.661
  165   HG23  THR  26          2HG2      THR  26   2.467 -11.614   5.021
  166    H    CYS  27           H        CYS  27   0.288  -7.439   5.087
  167    HA   CYS  27           HA       CYS  27   0.125  -6.464   7.825
  168    HB2  CYS  27           1HB      CYS  27   1.211  -4.468   7.002
  169    HB3  CYS  27           2HB      CYS  27   2.061  -5.876   6.374
  170    H    SER  28           H        SER  28  -0.583  -3.865   7.549
  171    HA   SER  28           HA       SER  28  -3.351  -4.010   6.547
  172    HB2  SER  28           1HB      SER  28  -2.250  -2.666   9.018
  173    HB3  SER  28           2HB      SER  28  -3.850  -2.306   8.368
  174    HG   SER  28           HG       SER  28  -2.922  -4.861   9.191
  175    H    ARG  29           H        ARG  29  -1.799  -3.248   4.642
  176    HA   ARG  29           HA       ARG  29  -2.066  -0.322   4.551
  177    HB2  ARG  29           1HB      ARG  29   0.269  -1.873   3.418
  178    HB3  ARG  29           2HB      ARG  29   0.040  -0.131   3.347
  179    HG2  ARG  29           1HG      ARG  29  -0.066  -1.131   6.064
  180    HG3  ARG  29           2HG      ARG  29   1.453  -1.532   5.259
  181    HD2  ARG  29           1HD      ARG  29   2.039   0.677   4.973
  182    HD3  ARG  29           2HD      ARG  29   0.368   1.236   5.027
  183    HE   ARG  29           HE       ARG  29   1.165   0.149   7.525
  184   HH11  ARG  29          1HH1      ARG  29   1.487   2.963   5.502
  185   HH12  ARG  29          2HH1      ARG  29   1.762   4.045   6.827
  186   HH21  ARG  29          1HH2      ARG  29   1.525   1.563   9.278
  187   HH22  ARG  29          2HH2      ARG  29   1.784   3.248   8.975
  188    H    VAL  30           H        VAL  30  -2.576   0.555   2.533
  189    HA   VAL  30           HA       VAL  30  -3.472  -1.418   0.534
  190    HB   VAL  30           HB       VAL  30  -5.104   0.303  -0.206
  191   HG11  VAL  30          1HG1      VAL  30  -5.130  -1.049   2.406
  192   HG12  VAL  30          2HG1      VAL  30  -6.333   0.227   2.201
  193   HG13  VAL  30          3HG1      VAL  30  -6.282  -1.128   1.073
  194   HG21  VAL  30          3HG2      VAL  30  -4.140   1.775   2.244
  195   HG22  VAL  30          1HG2      VAL  30  -3.980   2.298   0.568
  196   HG23  VAL  30          2HG2      VAL  30  -5.576   2.196   1.311
  197    H    TYR  31           H        TYR  31  -3.158  -0.970  -1.664
  198    HA   TYR  31           HA       TYR  31  -1.607   1.373  -2.411
  199    HB2  TYR  31           1HB      TYR  31  -0.567  -1.410  -2.975
  200    HB3  TYR  31           2HB      TYR  31   0.193   0.110  -3.433
  201    HD1  TYR  31           HD2      TYR  31   1.176   1.573  -1.678
  202    HD2  TYR  31           HD1      TYR  31  -0.293  -2.320  -0.791
  203    HE1  TYR  31           HE2      TYR  31   2.428   1.590   0.439
  204    HE2  TYR  31           HE1      TYR  31   0.955  -2.314   1.329
  205    HH   TYR  31           HH       TYR  31   2.244   0.436   2.694
  206    H    HIS  32           H        HIS  32  -2.073   2.057  -4.421
  207    HA   HIS  32           HA       HIS  32  -4.256   1.043  -5.828
  208    HB2  HIS  32           1HB      HIS  32  -2.104   3.015  -6.421
  209    HB3  HIS  32           2HB      HIS  32  -3.077   2.436  -7.769
  210    HD2  HIS  32           HD2      HIS  32  -5.887   2.418  -5.770
  211    HE1  HIS  32           HE1      HIS  32  -5.215   6.602  -5.979
  212    HE2  HIS  32           HE2      HIS  32  -6.845   4.785  -5.358
  213    H    LEU  33           H        LEU  33  -3.910   0.638  -8.367
  214    HA   LEU  33           HA       LEU  33  -2.395  -1.845  -8.490
  215    HB2  LEU  33           1HB      LEU  33  -4.554  -0.594 -10.124
  216    HB3  LEU  33           2HB      LEU  33  -3.536  -1.836 -10.850
  217    HG   LEU  33           HG       LEU  33  -5.188  -2.211  -8.353
  218   HD11  LEU  33          1HD1      LEU  33  -5.749  -3.326 -11.087
  219   HD12  LEU  33          2HD1      LEU  33  -6.474  -1.831 -10.497
  220   HD13  LEU  33          3HD1      LEU  33  -6.784  -3.352  -9.659
  221   HD21  LEU  33          3HD2      LEU  33  -4.598  -4.653  -9.564
  222   HD22  LEU  33          1HD2      LEU  33  -3.918  -4.012  -8.067
  223   HD23  LEU  33          2HD2      LEU  33  -3.087  -3.743  -9.599
  224    H    ASP  34           H        ASP  34  -2.272   1.403  -9.678
  225    HA   ASP  34           HA       ASP  34  -0.135   0.712 -11.565
  226    HB2  ASP  34           1HB      ASP  34  -0.465   2.863 -12.561
  227    HB3  ASP  34           2HB      ASP  34  -2.059   2.156 -12.313
  228    H    CYS  35           H        CYS  35  -0.695   2.092  -8.481
  229    HA   CYS  35           HA       CYS  35   1.931   3.386  -8.430
  230    HB2  CYS  35           1HB      CYS  35  -0.146   3.376  -6.238
  231    HB3  CYS  35           2HB      CYS  35   1.227   4.465  -6.415
  232    H    LEU  36           H        LEU  36   2.488   0.877  -8.659
  233    HA   LEU  36           HA       LEU  36   3.020  -0.100  -5.930
  234    HB2  LEU  36           1HB      LEU  36   2.289  -1.576  -8.430
  235    HB3  LEU  36           2HB      LEU  36   3.190  -2.377  -7.144
  236    HG   LEU  36           HG       LEU  36   0.441  -1.157  -6.885
  237   HD11  LEU  36          1HD1      LEU  36   1.345  -3.728  -7.793
  238   HD12  LEU  36          2HD1      LEU  36  -0.294  -3.084  -7.700
  239   HD13  LEU  36          3HD1      LEU  36   0.416  -3.893  -6.303
  240   HD21  LEU  36          3HD2      LEU  36   2.316  -2.423  -4.922
  241   HD22  LEU  36          1HD2      LEU  36   0.570  -2.510  -4.691
  242   HD23  LEU  36          2HD2      LEU  36   1.371  -0.941  -4.769
  243    H    ASP  37           H        ASP  37   4.872  -1.917  -6.200
  244    HA   ASP  37           HA       ASP  37   6.960  -1.031  -8.018
  245    HB2  ASP  37           1HB      ASP  37   6.870  -0.047  -5.387
  246    HB3  ASP  37           2HB      ASP  37   8.118  -1.290  -5.385
  247    HA   PRO  38           HA       PRO  38   7.523  -1.955  -9.557
  248    HB2  PRO  38           1HB      PRO  38   6.718  -3.848 -11.329
  249    HB3  PRO  38           2HB      PRO  38   8.393  -3.688 -10.790
  250    HG2  PRO  38           1HG      PRO  38   6.276  -5.588  -9.857
  251    HG3  PRO  38           2HG      PRO  38   7.987  -5.901 -10.201
  252    HD2  PRO  38           1HD      PRO  38   7.045  -5.570  -7.685
  253    HD3  PRO  38           2HD      PRO  38   8.679  -5.070  -8.166
  254    HA   PRO  39           HA       PRO  39   3.278  -0.902 -10.006
  255    HB2  PRO  39           1HB      PRO  39   3.081  -0.295 -12.645
  256    HB3  PRO  39           2HB      PRO  39   3.927   0.734 -11.483
  257    HG2  PRO  39           1HG      PRO  39   5.047  -1.265 -13.409
  258    HG3  PRO  39           2HG      PRO  39   5.637   0.360 -13.013
  259    HD2  PRO  39           1HD      PRO  39   6.738  -1.885 -11.972
  260    HD3  PRO  39           2HD      PRO  39   6.672  -0.351 -11.080
  261    H    LEU  40           H        LEU  40   1.240  -1.606 -10.741
  262    HA   LEU  40           HA       LEU  40   1.269  -4.196 -12.147
  263    HB2  LEU  40           1HB      LEU  40  -0.025  -3.327  -9.665
  264    HB3  LEU  40           2HB      LEU  40  -1.090  -4.187 -10.775
  265    HG   LEU  40           HG       LEU  40   1.501  -5.236  -9.637
  266   HD11  LEU  40          1HD1      LEU  40  -0.939  -6.689  -9.053
  267   HD12  LEU  40          2HD1      LEU  40  -0.970  -5.044  -8.420
  268   HD13  LEU  40          3HD1      LEU  40   0.338  -6.138  -7.968
  269   HD21  LEU  40          3HD2      LEU  40   1.311  -6.261 -11.717
  270   HD22  LEU  40          1HD2      LEU  40  -0.450  -6.327 -11.633
  271   HD23  LEU  40          2HD2      LEU  40   0.521  -7.402 -10.627
  272    H    LYS  41           H        LYS  41  -1.155  -4.667 -12.887
  273    HA   LYS  41           HA       LYS  41  -2.308  -2.251 -14.080
  274    HB2  LYS  41           1HB      LYS  41  -0.853  -3.145 -15.799
  275    HB3  LYS  41           2HB      LYS  41  -1.540  -4.751 -15.595
  276    HG2  LYS  41           1HG      LYS  41  -3.153  -4.311 -17.046
  277    HG3  LYS  41           2HG      LYS  41  -3.613  -2.848 -16.171
  278    HD2  LYS  41           1HD      LYS  41  -2.978  -1.875 -18.122
  279    HD3  LYS  41           2HD      LYS  41  -1.392  -1.947 -17.350
  280    HE2  LYS  41           1HE      LYS  41  -0.801  -2.941 -19.288
  281    HE3  LYS  41           2HE      LYS  41  -1.459  -4.376 -18.504
  282    HZ1  LYS  41           3HZ      LYS  41  -3.658  -3.386 -19.600
  283    HZ2  LYS  41           1HZ      LYS  41  -2.643  -4.476 -20.402
  284    HZ3  LYS  41           2HZ      LYS  41  -2.522  -2.819 -20.718
  285    H    THR  42           H        THR  42  -2.851  -5.753 -14.430
  286    HA   THR  42           HA       THR  42  -5.688  -5.327 -13.890
  287    HB   THR  42           HB       THR  42  -6.081  -7.509 -14.771
  288    HG1  THR  42           HG1      THR  42  -3.285  -7.948 -14.997
  289   HG21  THR  42          3HG2      THR  42  -5.614  -7.053 -16.940
  290   HG22  THR  42          1HG2      THR  42  -3.899  -6.788 -16.627
  291   HG23  THR  42          2HG2      THR  42  -5.067  -5.514 -16.275
  292    H    ILE  43           H        ILE  43  -6.525  -7.659 -12.844
  293    HA   ILE  43           HA       ILE  43  -5.807  -7.405 -10.097
  294    HB   ILE  43           HB       ILE  43  -7.470  -9.541 -11.437
  295   HG12  ILE  43          1HG1      ILE  43  -9.241  -7.974 -10.138
  296   HG13  ILE  43          2HG1      ILE  43  -8.027  -6.768 -10.548
  297   HG21  ILE  43          1HG2      ILE  43  -6.479  -9.355  -8.796
  298   HG22  ILE  43          2HG2      ILE  43  -8.210  -9.028  -8.736
  299   HG23  ILE  43          3HG2      ILE  43  -7.620 -10.526  -9.456
  300   HD11  ILE  43          3HD1      ILE  43  -8.855  -8.571 -12.725
  301   HD12  ILE  43          1HD1      ILE  43 -10.063  -7.422 -12.149
  302   HD13  ILE  43          2HD1      ILE  43  -8.507  -6.843 -12.745
  303    HA   PRO  44           HA       PRO  44  -2.306 -10.183 -10.406
  304    HB2  PRO  44           1HB      PRO  44  -1.515  -9.861  -7.829
  305    HB3  PRO  44           2HB      PRO  44  -1.173  -8.675  -9.094
  306    HG2  PRO  44           1HG      PRO  44  -3.329  -8.661  -7.018
  307    HG3  PRO  44           2HG      PRO  44  -2.298  -7.328  -7.569
  308    HD2  PRO  44           1HD      PRO  44  -4.847  -7.649  -8.425
  309    HD3  PRO  44           2HD      PRO  44  -3.576  -6.951  -9.450
  310    H    LYS  45           H        LYS  45  -3.814 -11.993 -10.652
  311    HA   LYS  45           HA       LYS  45  -5.212 -13.261  -8.639
  312    HB2  LYS  45           1HB      LYS  45  -3.930 -14.183 -11.170
  313    HB3  LYS  45           2HB      LYS  45  -4.514 -15.402 -10.045
  314    HG2  LYS  45           1HG      LYS  45  -6.531 -13.417 -10.366
  315    HG3  LYS  45           2HG      LYS  45  -5.979 -13.938 -11.959
  316    HD2  LYS  45           1HD      LYS  45  -6.240 -16.321 -11.083
  317    HD3  LYS  45           2HD      LYS  45  -7.136 -15.606  -9.740
  318    HE2  LYS  45           1HE      LYS  45  -8.828 -14.801 -11.162
  319    HE3  LYS  45           2HE      LYS  45  -7.844 -15.042 -12.605
  320    HZ1  LYS  45           3HZ      LYS  45  -8.833 -17.252 -10.889
  321    HZ2  LYS  45           1HZ      LYS  45  -8.063 -17.391 -12.389
  322    HZ3  LYS  45           2HZ      LYS  45  -9.615 -16.724 -12.293
  323    H    GLY  46           H        GLY  46  -4.727 -15.217  -7.425
  324    HA2  GLY  46           1HA      GLY  46  -3.368 -16.616  -6.173
  325    HA3  GLY  46           2HA      GLY  46  -1.973 -15.968  -7.023
  326    H    MET  47           H        MET  47  -1.955 -16.494  -4.284
  327    HA   MET  47           HA       MET  47  -2.589 -14.425  -2.571
  328    HB2  MET  47           1HB      MET  47  -1.770 -16.530  -1.727
  329    HB3  MET  47           2HB      MET  47  -0.217 -16.294  -2.517
  330    HG2  MET  47           1HG      MET  47   0.432 -14.637  -1.011
  331    HG3  MET  47           2HG      MET  47  -1.217 -14.378  -0.447
  332    HE1  MET  47           3HE      MET  47   0.296 -14.218   1.639
  333    HE2  MET  47           1HE      MET  47  -1.090 -15.008   2.390
  334    HE3  MET  47           2HE      MET  47   0.541 -15.590   2.721
  335    H    TRP  48           H        TRP  48  -2.215 -12.346  -3.076
  336    HA   TRP  48           HA       TRP  48   0.406 -11.573  -4.121
  337    HB2  TRP  48           1HB      TRP  48  -1.619 -10.731  -5.269
  338    HB3  TRP  48           2HB      TRP  48  -2.104  -9.916  -3.785
  339    HD1  TRP  48           HD1      TRP  48   0.510  -9.714  -6.589
  340    HE1  TRP  48           HE1      TRP  48   1.526  -7.349  -6.587
  341    HE3  TRP  48           HE3      TRP  48  -1.662  -7.901  -2.331
  342    HZ2  TRP  48           HZ2      TRP  48   1.421  -5.023  -4.992
  343    HZ3  TRP  48           HZ3      TRP  48  -1.151  -5.596  -1.636
  344    HH2  TRP  48           HH2      TRP  48   0.359  -4.189  -2.940
  345    H    ILE  49           H        ILE  49   1.722 -10.048  -3.118
  346    HA   ILE  49           HA       ILE  49   0.962  -9.155  -0.435
  347    HB   ILE  49           HB       ILE  49   3.639 -10.433  -0.986
  348   HG12  ILE  49          1HG1      ILE  49   1.261 -11.579   0.495
  349   HG13  ILE  49          2HG1      ILE  49   1.820 -12.102  -1.090
  350   HG21  ILE  49          1HG2      ILE  49   2.399  -9.825   1.680
  351   HG22  ILE  49          2HG2      ILE  49   4.084 -10.178   1.303
  352   HG23  ILE  49          3HG2      ILE  49   3.373  -8.642   0.809
  353   HD11  ILE  49          3HD1      ILE  49   3.209 -13.528  -0.139
  354   HD12  ILE  49          1HD1      ILE  49   4.010 -12.209   0.716
  355   HD13  ILE  49          2HD1      ILE  49   2.627 -13.024   1.447
  356    H    CYS  50           H        CYS  50   1.434  -7.080  -0.129
  357    HA   CYS  50           HA       CYS  50   2.456  -5.408  -2.075
  358    HB2  CYS  50           1HB      CYS  50   2.512  -3.688  -0.420
  359    HB3  CYS  50           2HB      CYS  50   1.158  -4.739  -0.016
  360    HA   PRO  51           HA       PRO  51   6.826  -5.814  -2.036
  361    HB2  PRO  51           1HB      PRO  51   7.591  -3.275  -2.617
  362    HB3  PRO  51           2HB      PRO  51   6.856  -4.353  -3.809
  363    HG2  PRO  51           1HG      PRO  51   5.593  -2.168  -2.199
  364    HG3  PRO  51           2HG      PRO  51   5.374  -2.564  -3.913
  365    HD2  PRO  51           1HD      PRO  51   3.593  -3.296  -2.010
  366    HD3  PRO  51           2HD      PRO  51   3.898  -4.275  -3.460
  367    H    ARG  52           H        ARG  52   5.208  -3.803   0.200
  368    HA   ARG  52           HA       ARG  52   7.543  -2.877   1.597
  369    HB2  ARG  52           1HB      ARG  52   4.737  -2.350   1.652
  370    HB3  ARG  52           2HB      ARG  52   5.250  -2.785   3.276
  371    HG2  ARG  52           1HG      ARG  52   6.669  -0.710   1.634
  372    HG3  ARG  52           2HG      ARG  52   5.308  -0.330   2.691
  373    HD2  ARG  52           1HD      ARG  52   6.892  -1.799   4.347
  374    HD3  ARG  52           2HD      ARG  52   8.093  -0.981   3.349
  375    HE   ARG  52           HE       ARG  52   6.409   0.202   5.341
  376   HH11  ARG  52          1HH1      ARG  52   8.164   0.794   2.393
  377   HH12  ARG  52          2HH1      ARG  52   8.347   2.491   2.689
  378   HH21  ARG  52          1HH2      ARG  52   6.644   2.435   5.742
  379   HH22  ARG  52          2HH2      ARG  52   7.483   3.423   4.595
  380    H    CYS  53           H        CYS  53   5.527  -5.682   1.670
  381    HA   CYS  53           HA       CYS  53   6.400  -6.513   4.305
  382    HB2  CYS  53           1HB      CYS  53   4.552  -7.624   2.227
  383    HB3  CYS  53           2HB      CYS  53   5.170  -8.688   3.486
  384    H    GLN  54           H        GLN  54   6.751  -7.746   0.980
  385    HA   GLN  54           HA       GLN  54   8.453  -9.859   1.479
  386    HB2  GLN  54           1HB      GLN  54   8.308  -8.003  -0.895
  387    HB3  GLN  54           2HB      GLN  54   9.311  -9.447  -0.867
  388    HG2  GLN  54           1HG      GLN  54   6.554  -9.957  -0.087
  389    HG3  GLN  54           2HG      GLN  54   6.710  -9.303  -1.717
  390   HE21  GLN  54          1HE2      GLN  54   6.355 -11.038  -2.951
  391   HE22  GLN  54          2HE2      GLN  54   7.267 -12.504  -2.886
  392    H    ASP  55           H        ASP  55   9.147  -6.443   1.401
  393    HA   ASP  55           HA       ASP  55  11.648  -6.821   2.716
  394    HB2  ASP  55           1HB      ASP  55  11.770  -6.963  -0.068
  395    HB3  ASP  55           2HB      ASP  55  12.276  -5.319   0.310
  396    H    GLN  56           H        GLN  56  12.814  -4.660   2.960
  397    HA   GLN  56           HA       GLN  56  10.824  -2.490   3.080
  398    HB2  GLN  56           1HB      GLN  56  12.146  -1.685   5.086
  399    HB3  GLN  56           2HB      GLN  56  11.210  -3.155   5.320
  400    HG2  GLN  56           1HG      GLN  56  14.071  -3.358   4.517
  401    HG3  GLN  56           2HG      GLN  56  13.660  -2.984   6.190
  402   HE21  GLN  56          1HE2      GLN  56  14.981  -5.172   6.032
  403   HE22  GLN  56          2HE2      GLN  56  13.992  -6.586   6.120
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -13.340   9.470  19.891
    2    HA2  GLY   1           1HA      GLY   1 -11.168   9.966  20.936
    3    HA3  GLY   1           2HA      GLY   1 -11.237   8.359  21.645
    4    H    SER   2           H        SER   2  -9.043   8.321  20.610
    5    HA   SER   2           HA       SER   2  -9.152   7.787  17.730
    6    HB2  SER   2           1HB      SER   2  -6.647   7.820  17.894
    7    HB3  SER   2           2HB      SER   2  -7.416   9.337  18.363
    8    HG   SER   2           HG       SER   2  -5.735   7.931  19.778
    9    H    SER   3           H        SER   3 -10.415   5.839  19.050
   10    HA   SER   3           HA       SER   3  -8.483   3.659  19.418
   11    HB2  SER   3           1HB      SER   3 -10.064   3.982  21.260
   12    HB3  SER   3           2HB      SER   3 -11.420   3.811  20.145
   13    HG   SER   3           HG       SER   3 -11.206   1.725  20.238
   14    H    GLY   4           H        GLY   4  -8.706   4.370  16.823
   15    HA2  GLY   4           1HA      GLY   4  -8.841   3.107  14.856
   16    HA3  GLY   4           2HA      GLY   4  -9.921   1.988  15.674
   17    H    SER   5           H        SER   5 -10.697   2.509  13.249
   18    HA   SER   5           HA       SER   5 -12.939   4.377  13.589
   19    HB2  SER   5           1HB      SER   5 -11.254   4.130  11.085
   20    HB3  SER   5           2HB      SER   5 -12.681   5.148  11.273
   21    HG   SER   5           HG       SER   5 -10.395   6.027  11.635
   22    H    SER   6           H        SER   6 -11.613   1.868  11.431
   23    HA   SER   6           HA       SER   6 -14.111   0.400  11.595
   24    HB2  SER   6           1HB      SER   6 -14.370   2.047   9.696
   25    HB3  SER   6           2HB      SER   6 -13.048   1.210   8.883
   26    HG   SER   6           HG       SER   6 -15.115   0.433   8.243
   27    H    GLY   7           H        GLY   7 -10.894   0.651  10.127
   28    HA2  GLY   7           1HA      GLY   7  -9.901  -1.740  11.080
   29    HA3  GLY   7           2HA      GLY   7 -10.672  -2.135   9.550
   30    H    HIS   8           H        HIS   8  -9.309  -2.201   7.907
   31    HA   HIS   8           HA       HIS   8  -6.682  -1.106   8.065
   32    HB2  HIS   8           1HB      HIS   8  -8.227  -2.415   5.829
   33    HB3  HIS   8           2HB      HIS   8  -6.574  -1.840   5.630
   34    HD2  HIS   8           HD2      HIS   8  -5.666  -4.484   5.296
   35    HE1  HIS   8           HE1      HIS   8  -6.462  -5.669   9.291
   36    HE2  HIS   8           HE2      HIS   8  -5.266  -6.243   7.150
   37    H    GLU   9           H        GLU   9  -5.807   0.243   6.193
   38    HA   GLU   9           HA       GLU   9  -6.996   2.775   6.251
   39    HB2  GLU   9           1HB      GLU   9  -5.106   1.809   4.108
   40    HB3  GLU   9           2HB      GLU   9  -5.323   3.454   4.689
   41    HG2  GLU   9           1HG      GLU   9  -4.081   1.150   6.167
   42    HG3  GLU   9           2HG      GLU   9  -3.277   2.599   5.566
   43    H    ASP  10           H        ASP  10  -7.154   3.879   3.837
   44    HA   ASP  10           HA       ASP  10  -8.729   2.308   2.009
   45    HB2  ASP  10           1HB      ASP  10 -10.002   4.354   3.806
   46    HB3  ASP  10           2HB      ASP  10 -10.664   4.026   2.207
   47    H    PHE  11           H        PHE  11  -6.313   4.038   2.098
   48    HA   PHE  11           HA       PHE  11  -6.960   5.628  -0.256
   49    HB2  PHE  11           1HB      PHE  11  -5.407   6.862   2.019
   50    HB3  PHE  11           2HB      PHE  11  -6.002   7.654   0.563
   51    HD1  PHE  11           HD1      PHE  11  -6.892   6.355   3.861
   52    HD2  PHE  11           HD2      PHE  11  -8.316   8.306   0.356
   53    HE1  PHE  11           HE1      PHE  11  -8.944   6.997   5.057
   54    HE2  PHE  11           HE2      PHE  11 -10.370   8.953   1.547
   55    HZ   PHE  11           HZ       PHE  11 -10.686   8.299   3.900
   56    H    CYS  12           H        CYS  12  -5.313   5.766  -1.713
   57    HA   CYS  12           HA       CYS  12  -3.305   3.873  -1.738
   58    HB2  CYS  12           1HB      CYS  12  -4.116   5.157  -3.716
   59    HB3  CYS  12           2HB      CYS  12  -3.214   6.553  -3.135
   60    H    SER  13           H        SER  13  -1.219   3.761  -1.076
   61    HA   SER  13           HA       SER  13  -0.331   5.833   0.782
   62    HB2  SER  13           1HB      SER  13  -0.276   3.101   0.964
   63    HB3  SER  13           2HB      SER  13   1.371   3.456   0.444
   64    HG   SER  13           HG       SER  13   1.513   4.918   2.213
   65    H    VAL  14           H        VAL  14  -0.254   6.514  -1.948
   66    HA   VAL  14           HA       VAL  14   2.584   7.090  -2.214
   67    HB   VAL  14           HB       VAL  14   1.040   5.748  -4.439
   68   HG11  VAL  14          1HG1      VAL  14   2.474   7.407  -5.386
   69   HG12  VAL  14          2HG1      VAL  14   3.818   6.913  -4.355
   70   HG13  VAL  14          3HG1      VAL  14   3.239   5.836  -5.626
   71   HG21  VAL  14          3HG2      VAL  14   1.758   4.166  -2.740
   72   HG22  VAL  14          1HG2      VAL  14   2.714   3.963  -4.209
   73   HG23  VAL  14          2HG2      VAL  14   3.402   4.800  -2.817
   74    H    CYS  15           H        CYS  15  -0.644   7.430  -3.654
   75    HA   CYS  15           HA       CYS  15   0.049  10.210  -4.346
   76    HB2  CYS  15           1HB      CYS  15  -1.598  10.085  -6.138
   77    HB3  CYS  15           2HB      CYS  15  -0.415   8.793  -6.314
   78    H    ARG  16           H        ARG  16  -2.127   8.106  -2.678
   79    HA   ARG  16           HA       ARG  16  -3.825   8.491  -1.215
   80    HB2  ARG  16           1HB      ARG  16  -2.208  10.927  -1.132
   81    HB3  ARG  16           2HB      ARG  16  -3.888  11.199  -0.691
   82    HG2  ARG  16           1HG      ARG  16  -3.768   9.755   1.137
   83    HG3  ARG  16           2HG      ARG  16  -2.296   8.984   0.545
   84    HD2  ARG  16           1HD      ARG  16  -1.318  10.331   2.073
   85    HD3  ARG  16           2HD      ARG  16  -1.424  11.513   0.768
   86    HE   ARG  16           HE       ARG  16  -3.776  11.808   2.080
   87   HH11  ARG  16          1HH1      ARG  16  -0.443  11.819   3.083
   88   HH12  ARG  16          2HH1      ARG  16  -0.706  12.914   4.399
   89   HH21  ARG  16          1HH2      ARG  16  -4.136  13.251   3.810
   90   HH22  ARG  16          2HH2      ARG  16  -2.808  13.728   4.812
   91    H    LYS  17           H        LYS  17  -5.393   7.991  -2.793
   92    HA   LYS  17           HA       LYS  17  -7.037  10.288  -3.548
   93    HB2  LYS  17           1HB      LYS  17  -5.646   8.472  -5.404
   94    HB3  LYS  17           2HB      LYS  17  -7.354   8.711  -5.752
   95    HG2  LYS  17           1HG      LYS  17  -7.010  11.123  -5.831
   96    HG3  LYS  17           2HG      LYS  17  -5.298  10.894  -5.463
   97    HD2  LYS  17           1HD      LYS  17  -4.936   9.750  -7.531
   98    HD3  LYS  17           2HD      LYS  17  -6.669   9.694  -7.865
   99    HE2  LYS  17           1HE      LYS  17  -5.676  11.430  -9.198
  100    HE3  LYS  17           2HE      LYS  17  -6.679  12.173  -7.954
  101    HZ1  LYS  17           3HZ      LYS  17  -4.358  12.141  -6.699
  102    HZ2  LYS  17           1HZ      LYS  17  -4.834  13.423  -7.695
  103    HZ3  LYS  17           2HZ      LYS  17  -3.787  12.235  -8.288
  104    H    SER  18           H        SER  18  -9.136   9.305  -4.684
  105    HA   SER  18           HA       SER  18 -10.095   7.214  -2.850
  106    HB2  SER  18           1HB      SER  18 -12.036   8.353  -2.639
  107    HB3  SER  18           2HB      SER  18 -11.131   9.716  -3.298
  108    HG   SER  18           HG       SER  18 -12.933   7.982  -4.588
  109    H    GLY  19           H        GLY  19 -11.554   5.603  -3.660
  110    HA2  GLY  19           1HA      GLY  19 -12.666   4.875  -5.846
  111    HA3  GLY  19           2HA      GLY  19 -11.037   4.988  -6.497
  112    H    GLN  20           H        GLN  20 -10.667   2.884  -6.992
  113    HA   GLN  20           HA       GLN  20 -11.154   0.840  -4.965
  114    HB2  GLN  20           1HB      GLN  20 -10.231   0.585  -7.832
  115    HB3  GLN  20           2HB      GLN  20 -10.592  -0.760  -6.758
  116    HG2  GLN  20           1HG      GLN  20 -12.773   1.155  -6.957
  117    HG3  GLN  20           2HG      GLN  20 -12.339   0.429  -8.504
  118   HE21  GLN  20          1HE2      GLN  20 -12.638  -1.761  -8.819
  119   HE22  GLN  20          2HE2      GLN  20 -13.581  -2.735  -7.749
  120    H    LEU  21           H        LEU  21  -9.599  -0.035  -3.753
  121    HA   LEU  21           HA       LEU  21  -6.797   0.381  -4.547
  122    HB2  LEU  21           1HB      LEU  21  -8.184   1.196  -2.092
  123    HB3  LEU  21           2HB      LEU  21  -6.658   0.354  -1.829
  124    HG   LEU  21           HG       LEU  21  -6.743   2.656  -3.727
  125   HD11  LEU  21          1HD1      LEU  21  -6.238   3.124  -0.822
  126   HD12  LEU  21          2HD1      LEU  21  -7.883   3.182  -1.453
  127   HD13  LEU  21          3HD1      LEU  21  -6.656   4.277  -2.090
  128   HD21  LEU  21          3HD2      LEU  21  -4.496   2.653  -3.489
  129   HD22  LEU  21          1HD2      LEU  21  -4.774   0.975  -3.022
  130   HD23  LEU  21          2HD2      LEU  21  -4.566   2.212  -1.782
  131    H    LEU  22           H        LEU  22  -5.328  -1.226  -3.908
  132    HA   LEU  22           HA       LEU  22  -6.525  -3.840  -3.588
  133    HB2  LEU  22           1HB      LEU  22  -4.500  -3.115  -5.074
  134    HB3  LEU  22           2HB      LEU  22  -3.579  -3.354  -3.590
  135    HG   LEU  22           HG       LEU  22  -4.335  -5.696  -3.521
  136   HD11  LEU  22          1HD1      LEU  22  -5.995  -4.767  -5.764
  137   HD12  LEU  22          2HD1      LEU  22  -6.279  -6.054  -4.592
  138   HD13  LEU  22          3HD1      LEU  22  -5.232  -6.342  -5.982
  139   HD21  LEU  22          3HD2      LEU  22  -3.271  -5.576  -6.243
  140   HD22  LEU  22          1HD2      LEU  22  -2.603  -6.325  -4.793
  141   HD23  LEU  22          2HD2      LEU  22  -2.378  -4.599  -5.077
  142    H    MET  23           H        MET  23  -5.914  -5.351  -1.951
  143    HA   MET  23           HA       MET  23  -5.002  -4.074   0.543
  144    HB2  MET  23           1HB      MET  23  -6.948  -6.374   0.321
  145    HB3  MET  23           2HB      MET  23  -6.486  -5.520   1.787
  146    HG2  MET  23           1HG      MET  23  -7.432  -3.437   0.585
  147    HG3  MET  23           2HG      MET  23  -8.237  -4.611  -0.454
  148    HE1  MET  23           3HE      MET  23 -11.107  -3.356   1.636
  149    HE2  MET  23           1HE      MET  23  -9.746  -2.398   2.219
  150    HE3  MET  23           2HE      MET  23  -9.884  -2.780   0.502
  151    H    CYS  24           H        CYS  24  -3.461  -5.094   1.728
  152    HA   CYS  24           HA       CYS  24  -2.041  -7.260   0.436
  153    HB2  CYS  24           1HB      CYS  24  -0.797  -5.376   1.410
  154    HB3  CYS  24           2HB      CYS  24  -1.441  -5.770   3.001
  155    H    ASP  25           H        ASP  25  -1.679  -9.301   1.282
  156    HA   ASP  25           HA       ASP  25  -3.685 -10.192   3.211
  157    HB2  ASP  25           1HB      ASP  25  -2.928 -11.275   0.842
  158    HB3  ASP  25           2HB      ASP  25  -1.900 -12.181   1.949
  159    H    THR  26           H        THR  26  -1.621  -8.696   4.317
  160    HA   THR  26           HA       THR  26  -0.597 -10.573   6.244
  161    HB   THR  26           HB       THR  26   1.693  -9.029   5.446
  162    HG1  THR  26           HG1      THR  26   1.973  -9.752   3.375
  163   HG21  THR  26          3HG2      THR  26   2.765 -10.943   5.969
  164   HG22  THR  26          1HG2      THR  26   1.689 -11.934   4.984
  165   HG23  THR  26          2HG2      THR  26   1.196 -11.439   6.604
  166    H    CYS  27           H        CYS  27   0.338  -7.324   5.099
  167    HA   CYS  27           HA       CYS  27   0.149  -6.333   7.832
  168    HB2  CYS  27           1HB      CYS  27   1.290  -4.367   7.032
  169    HB3  CYS  27           2HB      CYS  27   2.118  -5.784   6.393
  170    H    SER  28           H        SER  28  -0.522  -3.728   7.527
  171    HA   SER  28           HA       SER  28  -3.274  -3.848   6.477
  172    HB2  SER  28           1HB      SER  28  -2.765  -3.655   9.070
  173    HB3  SER  28           2HB      SER  28  -2.549  -1.951   8.671
  174    HG   SER  28           HG       SER  28  -4.752  -2.747   9.269
  175    H    ARG  29           H        ARG  29  -1.689  -3.127   4.586
  176    HA   ARG  29           HA       ARG  29  -1.930  -0.202   4.450
  177    HB2  ARG  29           1HB      ARG  29   0.431  -1.773   3.403
  178    HB3  ARG  29           2HB      ARG  29   0.210  -0.031   3.306
  179    HG2  ARG  29           1HG      ARG  29   0.318  -1.472   5.935
  180    HG3  ARG  29           2HG      ARG  29   1.773  -0.920   5.103
  181    HD2  ARG  29           1HD      ARG  29   1.377   1.248   5.576
  182    HD3  ARG  29           2HD      ARG  29  -0.364   1.083   5.352
  183    HE   ARG  29           HE       ARG  29   0.552  -0.205   7.731
  184   HH11  ARG  29          1HH1      ARG  29  -0.332   2.868   6.355
  185   HH12  ARG  29          2HH1      ARG  29  -0.776   3.569   7.877
  186   HH21  ARG  29          1HH2      ARG  29  -0.029   0.706   9.740
  187   HH22  ARG  29          2HH2      ARG  29  -0.603   2.338   9.801
  188    H    VAL  30           H        VAL  30  -2.804   0.554   2.608
  189    HA   VAL  30           HA       VAL  30  -3.480  -1.416   0.539
  190    HB   VAL  30           HB       VAL  30  -5.160   0.251  -0.215
  191   HG11  VAL  30          1HG1      VAL  30  -5.154  -1.093   2.399
  192   HG12  VAL  30          2HG1      VAL  30  -6.388   0.153   2.196
  193   HG13  VAL  30          3HG1      VAL  30  -6.305  -1.201   1.067
  194   HG21  VAL  30          3HG2      VAL  30  -5.682   2.162   1.212
  195   HG22  VAL  30          1HG2      VAL  30  -4.322   1.758   2.260
  196   HG23  VAL  30          2HG2      VAL  30  -4.033   2.266   0.597
  197    H    TYR  31           H        TYR  31  -3.187  -0.954  -1.665
  198    HA   TYR  31           HA       TYR  31  -1.691   1.425  -2.410
  199    HB2  TYR  31           1HB      TYR  31  -0.585  -1.333  -2.968
  200    HB3  TYR  31           2HB      TYR  31   0.137   0.202  -3.436
  201    HD1  TYR  31           HD1      TYR  31   1.131   1.677  -1.717
  202    HD2  TYR  31           HD2      TYR  31  -0.323  -2.204  -0.756
  203    HE1  TYR  31           HE1      TYR  31   2.388   1.736   0.396
  204    HE2  TYR  31           HE2      TYR  31   0.929  -2.156   1.360
  205    HH   TYR  31           HH       TYR  31   2.294   0.667   2.624
  206    H    HIS  32           H        HIS  32  -2.158   2.093  -4.427
  207    HA   HIS  32           HA       HIS  32  -4.323   1.040  -5.832
  208    HB2  HIS  32           1HB      HIS  32  -2.196   3.038  -6.439
  209    HB3  HIS  32           2HB      HIS  32  -3.174   2.444  -7.778
  210    HD2  HIS  32           HD2      HIS  32  -5.947   2.402  -5.700
  211    HE1  HIS  32           HE1      HIS  32  -5.358   6.591  -6.025
  212    HE2  HIS  32           HE2      HIS  32  -6.938   4.761  -5.318
  213    H    LEU  33           H        LEU  33  -3.967   0.630  -8.369
  214    HA   LEU  33           HA       LEU  33  -2.411  -1.829  -8.481
  215    HB2  LEU  33           1HB      LEU  33  -4.607  -0.628 -10.096
  216    HB3  LEU  33           2HB      LEU  33  -3.556  -1.825 -10.851
  217    HG   LEU  33           HG       LEU  33  -5.186  -2.287  -8.354
  218   HD11  LEU  33          1HD1      LEU  33  -6.899  -2.999  -9.601
  219   HD12  LEU  33          2HD1      LEU  33  -5.844  -3.780 -10.778
  220   HD13  LEU  33          3HD1      LEU  33  -6.163  -2.049 -10.893
  221   HD21  LEU  33          3HD2      LEU  33  -3.280  -3.948  -9.943
  222   HD22  LEU  33          1HD2      LEU  33  -4.638  -4.717  -9.121
  223   HD23  LEU  33          2HD2      LEU  33  -3.453  -3.796  -8.194
  224    H    ASP  34           H        ASP  34  -2.343   1.416  -9.681
  225    HA   ASP  34           HA       ASP  34  -0.196   0.753 -11.567
  226    HB2  ASP  34           1HB      ASP  34  -0.619   2.791 -12.655
  227    HB3  ASP  34           2HB      ASP  34  -2.220   2.211 -12.206
  228    H    CYS  35           H        CYS  35  -0.774   2.130  -8.487
  229    HA   CYS  35           HA       CYS  35   1.832   3.466  -8.443
  230    HB2  CYS  35           1HB      CYS  35  -0.246   3.437  -6.252
  231    HB3  CYS  35           2HB      CYS  35   1.111   4.544  -6.433
  232    H    LEU  36           H        LEU  36   2.430   0.967  -8.659
  233    HA   LEU  36           HA       LEU  36   2.974   0.012  -5.925
  234    HB2  LEU  36           1HB      LEU  36   2.263  -1.489  -8.417
  235    HB3  LEU  36           2HB      LEU  36   3.177  -2.269  -7.128
  236    HG   LEU  36           HG       LEU  36   0.411  -1.089  -6.872
  237   HD11  LEU  36          1HD1      LEU  36   1.351  -3.650  -7.767
  238   HD12  LEU  36          2HD1      LEU  36  -0.297  -3.031  -7.672
  239   HD13  LEU  36          3HD1      LEU  36   0.429  -3.822  -6.273
  240   HD21  LEU  36          3HD2      LEU  36   0.489  -2.295  -4.658
  241   HD22  LEU  36          1HD2      LEU  36   1.491  -0.848  -4.778
  242   HD23  LEU  36          2HD2      LEU  36   2.231  -2.445  -4.895
  243    H    ASP  37           H        ASP  37   4.852  -1.779  -6.185
  244    HA   ASP  37           HA       ASP  37   6.927  -0.873  -8.009
  245    HB2  ASP  37           1HB      ASP  37   6.833   0.212  -5.463
  246    HB3  ASP  37           2HB      ASP  37   7.996  -1.101  -5.302
  247    HA   PRO  38           HA       PRO  38   7.503  -1.798  -9.543
  248    HB2  PRO  38           1HB      PRO  38   6.725  -3.713 -11.304
  249    HB3  PRO  38           2HB      PRO  38   8.399  -3.525 -10.765
  250    HG2  PRO  38           1HG      PRO  38   6.309  -5.451  -9.822
  251    HG3  PRO  38           2HG      PRO  38   8.025  -5.741 -10.164
  252    HD2  PRO  38           1HD      PRO  38   7.078  -5.409  -7.650
  253    HD3  PRO  38           2HD      PRO  38   8.704  -4.888  -8.134
  254    HA   PRO  39           HA       PRO  39   3.243  -0.810  -9.997
  255    HB2  PRO  39           1HB      PRO  39   3.037  -0.219 -12.639
  256    HB3  PRO  39           2HB      PRO  39   3.868   0.828 -11.482
  257    HG2  PRO  39           1HG      PRO  39   5.017  -1.164 -13.398
  258    HG3  PRO  39           2HG      PRO  39   5.584   0.471 -13.010
  259    HD2  PRO  39           1HD      PRO  39   6.717  -1.752 -11.957
  260    HD3  PRO  39           2HD      PRO  39   6.628  -0.215 -11.073
  261    H    LEU  40           H        LEU  40   1.217  -1.553 -10.719
  262    HA   LEU  40           HA       LEU  40   1.284  -4.150 -12.109
  263    HB2  LEU  40           1HB      LEU  40  -0.026  -3.278  -9.638
  264    HB3  LEU  40           2HB      LEU  40  -1.080  -4.156 -10.745
  265    HG   LEU  40           HG       LEU  40   1.518  -5.171  -9.593
  266   HD11  LEU  40          1HD1      LEU  40  -0.835  -6.702  -8.978
  267   HD12  LEU  40          2HD1      LEU  40  -1.026  -5.033  -8.444
  268   HD13  LEU  40          3HD1      LEU  40   0.352  -5.983  -7.890
  269   HD21  LEU  40          3HD2      LEU  40  -0.397  -6.271 -11.611
  270   HD22  LEU  40          1HD2      LEU  40   0.527  -7.355 -10.571
  271   HD23  LEU  40          2HD2      LEU  40   1.366  -6.235 -11.644
  272    H    LYS  41           H        LYS  41  -1.130  -4.660 -12.853
  273    HA   LYS  41           HA       LYS  41  -2.316  -2.271 -14.068
  274    HB2  LYS  41           1HB      LYS  41  -0.842  -3.139 -15.778
  275    HB3  LYS  41           2HB      LYS  41  -1.485  -4.762 -15.565
  276    HG2  LYS  41           1HG      LYS  41  -3.292  -4.355 -16.836
  277    HG3  LYS  41           2HG      LYS  41  -3.474  -2.705 -16.236
  278    HD2  LYS  41           1HD      LYS  41  -2.862  -2.304 -18.414
  279    HD3  LYS  41           2HD      LYS  41  -1.283  -2.296 -17.625
  280    HE2  LYS  41           1HE      LYS  41  -0.603  -4.021 -18.851
  281    HE3  LYS  41           2HE      LYS  41  -2.005  -4.974 -18.369
  282    HZ1  LYS  41           3HZ      LYS  41  -1.478  -3.957 -20.871
  283    HZ2  LYS  41           1HZ      LYS  41  -2.730  -2.992 -20.268
  284    HZ3  LYS  41           2HZ      LYS  41  -2.920  -4.671 -20.350
  285    H    THR  42           H        THR  42  -2.799  -5.782 -14.416
  286    HA   THR  42           HA       THR  42  -5.644  -5.403 -13.884
  287    HB   THR  42           HB       THR  42  -5.993  -7.601 -14.758
  288    HG1  THR  42           HG1      THR  42  -4.493  -9.081 -14.598
  289   HG21  THR  42          3HG2      THR  42  -5.305  -7.318 -16.978
  290   HG22  THR  42          1HG2      THR  42  -3.802  -6.525 -16.509
  291   HG23  THR  42          2HG2      THR  42  -5.338  -5.676 -16.335
  292    H    ILE  43           H        ILE  43  -6.445  -7.749 -12.842
  293    HA   ILE  43           HA       ILE  43  -5.739  -7.486 -10.093
  294    HB   ILE  43           HB       ILE  43  -7.362  -9.651 -11.436
  295   HG12  ILE  43          1HG1      ILE  43  -8.235  -7.098 -10.065
  296   HG13  ILE  43          2HG1      ILE  43  -8.289  -7.402 -11.798
  297   HG21  ILE  43          1HG2      ILE  43  -7.519 -10.629  -9.452
  298   HG22  ILE  43          2HG2      ILE  43  -6.381  -9.452  -8.798
  299   HG23  ILE  43          3HG2      ILE  43  -8.114  -9.131  -8.735
  300   HD11  ILE  43          3HD1      ILE  43  -9.771  -9.426 -11.112
  301   HD12  ILE  43          1HD1      ILE  43 -10.002  -8.503  -9.627
  302   HD13  ILE  43          2HD1      ILE  43 -10.458  -7.804 -11.181
  303    HA   PRO  44           HA       PRO  44  -2.193 -10.207 -10.394
  304    HB2  PRO  44           1HB      PRO  44  -1.415  -9.876  -7.814
  305    HB3  PRO  44           2HB      PRO  44  -1.088  -8.683  -9.077
  306    HG2  PRO  44           1HG      PRO  44  -3.250  -8.706  -7.007
  307    HG3  PRO  44           2HG      PRO  44  -2.239  -7.356  -7.554
  308    HD2  PRO  44           1HD      PRO  44  -4.780  -7.716  -8.418
  309    HD3  PRO  44           2HD      PRO  44  -3.517  -6.997  -9.438
  310    H    LYS  45           H        LYS  45  -3.514 -12.100 -10.652
  311    HA   LYS  45           HA       LYS  45  -4.993 -13.393  -8.714
  312    HB2  LYS  45           1HB      LYS  45  -3.522 -14.266 -11.144
  313    HB3  LYS  45           2HB      LYS  45  -4.025 -15.521 -10.020
  314    HG2  LYS  45           1HG      LYS  45  -6.050 -13.510 -10.817
  315    HG3  LYS  45           2HG      LYS  45  -5.558 -14.704 -12.020
  316    HD2  LYS  45           1HD      LYS  45  -6.274 -16.502 -10.682
  317    HD3  LYS  45           2HD      LYS  45  -6.378 -15.492  -9.238
  318    HE2  LYS  45           1HE      LYS  45  -8.327 -14.426  -9.991
  319    HE3  LYS  45           2HE      LYS  45  -8.091 -14.977 -11.649
  320    HZ1  LYS  45           3HZ      LYS  45  -9.851 -16.159 -10.313
  321    HZ2  LYS  45           1HZ      LYS  45  -8.596 -16.854  -9.416
  322    HZ3  LYS  45           2HZ      LYS  45  -8.713 -17.151 -11.077
  323    H    GLY  46           H        GLY  46  -4.441 -15.444  -7.562
  324    HA2  GLY  46           1HA      GLY  46  -3.149 -16.671  -6.103
  325    HA3  GLY  46           2HA      GLY  46  -1.727 -16.020  -6.905
  326    H    MET  47           H        MET  47  -1.882 -16.443  -4.138
  327    HA   MET  47           HA       MET  47  -2.642 -14.309  -2.562
  328    HB2  MET  47           1HB      MET  47  -1.743 -16.514  -1.768
  329    HB3  MET  47           2HB      MET  47  -0.129 -15.939  -2.165
  330    HG2  MET  47           1HG      MET  47  -0.744 -13.950  -0.614
  331    HG3  MET  47           2HG      MET  47  -1.974 -15.051   0.002
  332    HE1  MET  47           3HE      MET  47   1.208 -14.746   2.468
  333    HE2  MET  47           1HE      MET  47   0.162 -13.630   1.588
  334    HE3  MET  47           2HE      MET  47  -0.545 -14.869   2.624
  335    H    TRP  48           H        TRP  48  -2.254 -12.252  -3.143
  336    HA   TRP  48           HA       TRP  48   0.384 -11.485  -4.118
  337    HB2  TRP  48           1HB      TRP  48  -1.631 -10.630  -5.267
  338    HB3  TRP  48           2HB      TRP  48  -2.120  -9.819  -3.782
  339    HD1  TRP  48           HD1      TRP  48   0.480  -9.602  -6.592
  340    HE1  TRP  48           HE1      TRP  48   1.510  -7.243  -6.571
  341    HE3  TRP  48           HE3      TRP  48  -1.646  -7.825  -2.295
  342    HZ2  TRP  48           HZ2      TRP  48   1.432  -4.935  -4.948
  343    HZ3  TRP  48           HZ3      TRP  48  -1.116  -5.532  -1.578
  344    HH2  TRP  48           HH2      TRP  48   0.391  -4.118  -2.878
  345    H    ILE  49           H        ILE  49   1.731 -10.013  -3.101
  346    HA   ILE  49           HA       ILE  49   0.971  -9.097  -0.423
  347    HB   ILE  49           HB       ILE  49   3.571 -10.510  -1.026
  348   HG12  ILE  49          1HG1      ILE  49   1.242 -11.346   0.716
  349   HG13  ILE  49          2HG1      ILE  49   1.648 -12.044  -0.849
  350   HG21  ILE  49          1HG2      ILE  49   2.859  -8.622   0.992
  351   HG22  ILE  49          2HG2      ILE  49   3.146 -10.191   1.743
  352   HG23  ILE  49          3HG2      ILE  49   4.395  -9.452   0.741
  353   HD11  ILE  49          3HD1      ILE  49   2.531 -12.857   1.673
  354   HD12  ILE  49          1HD1      ILE  49   3.060 -13.452   0.100
  355   HD13  ILE  49          2HD1      ILE  49   3.928 -12.130   0.880
  356    H    CYS  50           H        CYS  50   1.454  -7.024  -0.126
  357    HA   CYS  50           HA       CYS  50   2.497  -5.363  -2.067
  358    HB2  CYS  50           1HB      CYS  50   2.570  -3.645  -0.412
  359    HB3  CYS  50           2HB      CYS  50   1.207  -4.683  -0.006
  360    HA   PRO  51           HA       PRO  51   6.863  -5.815  -2.031
  361    HB2  PRO  51           1HB      PRO  51   7.653  -3.283  -2.611
  362    HB3  PRO  51           2HB      PRO  51   6.906  -4.354  -3.803
  363    HG2  PRO  51           1HG      PRO  51   5.667  -2.156  -2.192
  364    HG3  PRO  51           2HG      PRO  51   5.443  -2.549  -3.906
  365    HD2  PRO  51           1HD      PRO  51   3.655  -3.263  -2.003
  366    HD3  PRO  51           2HD      PRO  51   3.950  -4.245  -3.453
  367    H    ARG  52           H        ARG  52   5.266  -3.787   0.206
  368    HA   ARG  52           HA       ARG  52   7.612  -2.886   1.603
  369    HB2  ARG  52           1HB      ARG  52   4.833  -2.292   1.636
  370    HB3  ARG  52           2HB      ARG  52   5.287  -2.788   3.261
  371    HG2  ARG  52           1HG      ARG  52   6.863  -0.737   1.747
  372    HG3  ARG  52           2HG      ARG  52   5.431  -0.309   2.686
  373    HD2  ARG  52           1HD      ARG  52   7.219  -2.010   4.193
  374    HD3  ARG  52           2HD      ARG  52   8.041  -0.559   3.621
  375    HE   ARG  52           HE       ARG  52   6.010  -0.712   5.638
  376   HH11  ARG  52          1HH1      ARG  52   7.471   1.329   3.225
  377   HH12  ARG  52          2HH1      ARG  52   7.012   2.805   4.008
  378   HH21  ARG  52          1HH2      ARG  52   5.400   1.224   6.678
  379   HH22  ARG  52          2HH2      ARG  52   5.834   2.744   5.973
  380    H    CYS  53           H        CYS  53   5.571  -5.671   1.671
  381    HA   CYS  53           HA       CYS  53   6.427  -6.510   4.309
  382    HB2  CYS  53           1HB      CYS  53   4.572  -7.598   2.227
  383    HB3  CYS  53           2HB      CYS  53   5.181  -8.675   3.479
  384    H    GLN  54           H        GLN  54   6.730  -7.819   1.004
  385    HA   GLN  54           HA       GLN  54   8.452  -9.908   1.539
  386    HB2  GLN  54           1HB      GLN  54   8.257  -8.139  -0.898
  387    HB3  GLN  54           2HB      GLN  54   9.245  -9.592  -0.838
  388    HG2  GLN  54           1HG      GLN  54   6.437  -9.925  -0.027
  389    HG3  GLN  54           2HG      GLN  54   6.709  -9.527  -1.723
  390   HE21  GLN  54          1HE2      GLN  54   7.201 -11.124  -3.059
  391   HE22  GLN  54          2HE2      GLN  54   7.690 -12.714  -2.593
  392    H    ASP  55           H        ASP  55   9.138  -6.493   1.274
  393    HA   ASP  55           HA       ASP  55  11.925  -7.054   2.035
  394    HB2  ASP  55           1HB      ASP  55  10.915  -5.049   0.018
  395    HB3  ASP  55           2HB      ASP  55  12.519  -4.945   0.740
  396    H    GLN  56           H        GLN  56  12.530  -6.103   3.865
  397    HA   GLN  56           HA       GLN  56  11.786  -3.485   4.629
  398    HB2  GLN  56           1HB      GLN  56   9.721  -5.113   5.093
  399    HB3  GLN  56           2HB      GLN  56  10.632  -5.426   6.565
  400    HG2  GLN  56           1HG      GLN  56  10.665  -2.978   6.990
  401    HG3  GLN  56           2HG      GLN  56   9.605  -2.770   5.597
  402   HE21  GLN  56          1HE2      GLN  56   9.811  -3.524   8.903
  403   HE22  GLN  56          2HE2      GLN  56   8.139  -3.865   9.174
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -22.376  -3.929  20.375
    2    HA2  GLY   1           1HA      GLY   1 -23.909  -3.587  18.244
    3    HA3  GLY   1           2HA      GLY   1 -22.829  -2.300  18.759
    4    H    SER   2           H        SER   2 -20.371  -3.351  18.051
    5    HA   SER   2           HA       SER   2 -20.322  -4.330  15.383
    6    HB2  SER   2           1HB      SER   2 -20.781  -1.551  15.631
    7    HB3  SER   2           2HB      SER   2 -19.106  -1.738  15.114
    8    HG   SER   2           HG       SER   2 -21.054  -3.280  13.838
    9    H    SER   3           H        SER   3 -18.371  -5.183  14.954
   10    HA   SER   3           HA       SER   3 -16.180  -4.529  16.811
   11    HB2  SER   3           1HB      SER   3 -16.280  -7.057  15.192
   12    HB3  SER   3           2HB      SER   3 -15.454  -6.749  16.719
   13    HG   SER   3           HG       SER   3 -17.182  -7.382  17.715
   14    H    GLY   4           H        GLY   4 -14.006  -4.541  15.973
   15    HA2  GLY   4           1HA      GLY   4 -13.930  -3.582  13.194
   16    HA3  GLY   4           2HA      GLY   4 -12.737  -3.222  14.433
   17    H    SER   5           H        SER   5 -14.081  -5.961  12.605
   18    HA   SER   5           HA       SER   5 -11.924  -7.709  13.089
   19    HB2  SER   5           1HB      SER   5 -12.839  -9.052  11.258
   20    HB3  SER   5           2HB      SER   5 -14.138  -8.470  12.298
   21    HG   SER   5           HG       SER   5 -14.947  -7.750  10.497
   22    H    SER   6           H        SER   6 -12.450  -5.199  10.722
   23    HA   SER   6           HA       SER   6  -9.794  -5.780   9.580
   24    HB2  SER   6           1HB      SER   6 -11.538  -6.176   7.918
   25    HB3  SER   6           2HB      SER   6 -12.202  -4.566   8.200
   26    HG   SER   6           HG       SER   6  -9.586  -5.113   7.239
   27    H    GLY   7           H        GLY   7  -8.332  -4.155   9.503
   28    HA2  GLY   7           1HA      GLY   7  -9.253  -1.447  10.221
   29    HA3  GLY   7           2HA      GLY   7  -7.902  -2.181  11.073
   30    H    HIS   8           H        HIS   8  -8.560  -2.470   7.624
   31    HA   HIS   8           HA       HIS   8  -5.905  -1.448   7.052
   32    HB2  HIS   8           1HB      HIS   8  -8.046  -2.682   5.316
   33    HB3  HIS   8           2HB      HIS   8  -6.523  -2.071   4.677
   34    HD2  HIS   8           HD2      HIS   8  -5.087  -4.301   4.145
   35    HE1  HIS   8           HE1      HIS   8  -5.848  -6.374   7.768
   36    HE2  HIS   8           HE2      HIS   8  -4.532  -6.352   5.621
   37    H    GLU   9           H        GLU   9  -5.439   0.352   5.799
   38    HA   GLU   9           HA       GLU   9  -7.077   2.592   6.111
   39    HB2  GLU   9           1HB      GLU   9  -4.960   2.261   3.985
   40    HB3  GLU   9           2HB      GLU   9  -5.521   3.763   4.707
   41    HG2  GLU   9           1HG      GLU   9  -4.682   2.656   6.923
   42    HG3  GLU   9           2HG      GLU   9  -3.709   1.683   5.822
   43    H    ASP  10           H        ASP  10  -7.438   3.990   3.918
   44    HA   ASP  10           HA       ASP  10  -8.798   2.336   1.927
   45    HB2  ASP  10           1HB      ASP  10 -10.120   4.478   3.593
   46    HB3  ASP  10           2HB      ASP  10 -10.779   3.931   2.053
   47    H    PHE  11           H        PHE  11  -6.390   4.078   2.050
   48    HA   PHE  11           HA       PHE  11  -6.998   5.645  -0.331
   49    HB2  PHE  11           1HB      PHE  11  -5.498   6.906   1.965
   50    HB3  PHE  11           2HB      PHE  11  -6.065   7.682   0.489
   51    HD1  PHE  11           HD2      PHE  11  -8.561   7.898   0.132
   52    HD2  PHE  11           HD1      PHE  11  -6.836   6.833   3.874
   53    HE1  PHE  11           HE2      PHE  11 -10.642   8.546   1.271
   54    HE2  PHE  11           HE1      PHE  11  -8.915   7.478   5.020
   55    HZ   PHE  11           HZ       PHE  11 -10.822   8.337   3.719
   56    H    CYS  12           H        CYS  12  -5.309   5.811  -1.747
   57    HA   CYS  12           HA       CYS  12  -3.302   3.917  -1.735
   58    HB2  CYS  12           1HB      CYS  12  -4.057   5.211  -3.725
   59    HB3  CYS  12           2HB      CYS  12  -3.183   6.609  -3.109
   60    H    SER  13           H        SER  13  -1.242   3.792  -1.008
   61    HA   SER  13           HA       SER  13  -0.396   5.857   0.878
   62    HB2  SER  13           1HB      SER  13   0.347   2.982   0.441
   63    HB3  SER  13           2HB      SER  13   1.433   4.044   1.337
   64    HG   SER  13           HG       SER  13  -0.070   2.952   2.695
   65    H    VAL  14           H        VAL  14  -0.236   6.529  -1.855
   66    HA   VAL  14           HA       VAL  14   2.610   7.097  -2.035
   67    HB   VAL  14           HB       VAL  14   1.134   5.748  -4.300
   68   HG11  VAL  14          1HG1      VAL  14   3.578   5.783  -5.225
   69   HG12  VAL  14          2HG1      VAL  14   2.540   7.199  -5.406
   70   HG13  VAL  14          3HG1      VAL  14   3.761   7.155  -4.133
   71   HG21  VAL  14          3HG2      VAL  14   1.739   4.074  -2.754
   72   HG22  VAL  14          1HG2      VAL  14   2.994   4.046  -3.993
   73   HG23  VAL  14          2HG2      VAL  14   3.306   4.819  -2.438
   74    H    CYS  15           H        CYS  15  -0.570   7.437  -3.577
   75    HA   CYS  15           HA       CYS  15   0.150  10.212  -4.262
   76    HB2  CYS  15           1HB      CYS  15  -1.399  10.089  -6.118
   77    HB3  CYS  15           2HB      CYS  15  -0.271   8.740  -6.222
   78    H    ARG  16           H        ARG  16  -2.061   8.129  -2.626
   79    HA   ARG  16           HA       ARG  16  -3.797   8.528  -1.211
   80    HB2  ARG  16           1HB      ARG  16  -2.985  11.434  -1.318
   81    HB3  ARG  16           2HB      ARG  16  -3.890  10.623  -0.046
   82    HG2  ARG  16           1HG      ARG  16  -1.910   9.282   0.494
   83    HG3  ARG  16           2HG      ARG  16  -1.007  10.132  -0.762
   84    HD2  ARG  16           1HD      ARG  16  -2.280  12.030   0.965
   85    HD3  ARG  16           2HD      ARG  16  -1.359  10.877   1.931
   86    HE   ARG  16           HE       ARG  16  -0.309  12.917   0.238
   87   HH11  ARG  16          1HH1      ARG  16   0.298   9.724   1.486
   88   HH12  ARG  16          2HH1      ARG  16   2.019   9.851   1.334
   89   HH21  ARG  16          1HH2      ARG  16   1.955  13.096   0.033
   90   HH22  ARG  16          2HH2      ARG  16   2.961  11.769   0.508
   91    H    LYS  17           H        LYS  17  -5.242   7.982  -2.937
   92    HA   LYS  17           HA       LYS  17  -6.953  10.232  -3.683
   93    HB2  LYS  17           1HB      LYS  17  -5.330   8.658  -5.525
   94    HB3  LYS  17           2HB      LYS  17  -7.038   8.624  -5.940
   95    HG2  LYS  17           1HG      LYS  17  -7.018  11.129  -5.825
   96    HG3  LYS  17           2HG      LYS  17  -5.262  11.035  -5.670
   97    HD2  LYS  17           1HD      LYS  17  -4.970  10.368  -7.834
   98    HD3  LYS  17           2HD      LYS  17  -6.532   9.549  -7.906
   99    HE2  LYS  17           1HE      LYS  17  -6.645  11.460  -9.330
  100    HE3  LYS  17           2HE      LYS  17  -7.621  11.798  -7.901
  101    HZ1  LYS  17           3HZ      LYS  17  -4.899  12.638  -7.604
  102    HZ2  LYS  17           1HZ      LYS  17  -6.329  13.508  -7.359
  103    HZ3  LYS  17           2HZ      LYS  17  -5.664  13.395  -8.909
  104    H    SER  18           H        SER  18  -9.090   9.512  -4.480
  105    HA   SER  18           HA       SER  18 -10.046   7.326  -2.853
  106    HB2  SER  18           1HB      SER  18 -12.079   8.324  -2.996
  107    HB3  SER  18           2HB      SER  18 -11.152   9.703  -3.585
  108    HG   SER  18           HG       SER  18 -12.997   8.258  -4.871
  109    H    GLY  19           H        GLY  19 -11.862   5.939  -3.963
  110    HA2  GLY  19           1HA      GLY  19 -12.507   4.841  -6.046
  111    HA3  GLY  19           2HA      GLY  19 -10.834   4.987  -6.563
  112    H    GLN  20           H        GLN  20 -10.997   2.681  -6.991
  113    HA   GLN  20           HA       GLN  20 -11.239   0.904  -4.721
  114    HB2  GLN  20           1HB      GLN  20 -10.950   0.580  -7.670
  115    HB3  GLN  20           2HB      GLN  20 -10.457  -0.759  -6.641
  116    HG2  GLN  20           1HG      GLN  20 -12.566  -1.413  -6.593
  117    HG3  GLN  20           2HG      GLN  20 -12.945   0.039  -5.667
  118   HE21  GLN  20          1HE2      GLN  20 -13.697   1.890  -6.786
  119   HE22  GLN  20          2HE2      GLN  20 -14.457   1.743  -8.330
  120    H    LEU  21           H        LEU  21  -9.621  -0.030  -3.609
  121    HA   LEU  21           HA       LEU  21  -6.871   0.333  -4.590
  122    HB2  LEU  21           1HB      LEU  21  -8.091   1.229  -2.074
  123    HB3  LEU  21           2HB      LEU  21  -6.556   0.382  -1.889
  124    HG   LEU  21           HG       LEU  21  -6.665   2.570  -3.890
  125   HD11  LEU  21          1HD1      LEU  21  -7.885   3.267  -1.703
  126   HD12  LEU  21          2HD1      LEU  21  -6.654   4.324  -2.393
  127   HD13  LEU  21          3HD1      LEU  21  -6.259   3.291  -1.020
  128   HD21  LEU  21          3HD2      LEU  21  -4.430   2.597  -3.600
  129   HD22  LEU  21          1HD2      LEU  21  -4.702   0.979  -2.951
  130   HD23  LEU  21          2HD2      LEU  21  -4.543   2.354  -1.856
  131    H    LEU  22           H        LEU  22  -5.371  -1.262  -3.965
  132    HA   LEU  22           HA       LEU  22  -6.555  -3.862  -3.553
  133    HB2  LEU  22           1HB      LEU  22  -4.544  -3.152  -5.077
  134    HB3  LEU  22           2HB      LEU  22  -3.609  -3.392  -3.602
  135    HG   LEU  22           HG       LEU  22  -4.388  -5.726  -3.513
  136   HD11  LEU  22          1HD1      LEU  22  -5.991  -4.817  -5.834
  137   HD12  LEU  22          2HD1      LEU  22  -6.389  -5.969  -4.559
  138   HD13  LEU  22          3HD1      LEU  22  -5.333  -6.453  -5.886
  139   HD21  LEU  22          3HD2      LEU  22  -2.690  -6.396  -4.818
  140   HD22  LEU  22          1HD2      LEU  22  -2.422  -4.670  -5.063
  141   HD23  LEU  22          2HD2      LEU  22  -3.341  -5.597  -6.250
  142    H    MET  23           H        MET  23  -5.913  -5.344  -1.900
  143    HA   MET  23           HA       MET  23  -4.939  -4.028   0.551
  144    HB2  MET  23           1HB      MET  23  -6.935  -6.292   0.438
  145    HB3  MET  23           2HB      MET  23  -6.436  -5.387   1.861
  146    HG2  MET  23           1HG      MET  23  -7.429  -3.352   0.843
  147    HG3  MET  23           2HG      MET  23  -8.038  -4.360  -0.467
  148    HE1  MET  23           3HE      MET  23 -10.293  -3.059   0.261
  149    HE2  MET  23           1HE      MET  23 -11.193  -3.415   1.735
  150    HE3  MET  23           2HE      MET  23  -9.733  -2.429   1.811
  151    H    CYS  24           H        CYS  24  -3.364  -5.033   1.686
  152    HA   CYS  24           HA       CYS  24  -1.991  -7.220   0.421
  153    HB2  CYS  24           1HB      CYS  24  -0.756  -5.370   1.481
  154    HB3  CYS  24           2HB      CYS  24  -1.428  -5.821   3.044
  155    H    ASP  25           H        ASP  25  -1.659  -9.285   1.229
  156    HA   ASP  25           HA       ASP  25  -3.732 -10.213   3.067
  157    HB2  ASP  25           1HB      ASP  25  -2.833 -11.246   0.704
  158    HB3  ASP  25           2HB      ASP  25  -1.923 -12.204   1.870
  159    H    THR  26           H        THR  26  -1.651  -8.735   4.236
  160    HA   THR  26           HA       THR  26  -0.735 -10.644   6.190
  161    HB   THR  26           HB       THR  26   1.610  -9.146   5.506
  162    HG1  THR  26           HG1      THR  26   1.916  -9.691   3.420
  163   HG21  THR  26          3HG2      THR  26   1.058 -12.106   5.288
  164   HG22  THR  26          1HG2      THR  26   1.487 -11.273   6.781
  165   HG23  THR  26          2HG2      THR  26   2.636 -11.334   5.445
  166    H    CYS  27           H        CYS  27   0.295  -7.404   5.105
  167    HA   CYS  27           HA       CYS  27   0.053  -6.429   7.836
  168    HB2  CYS  27           1HB      CYS  27   1.191  -4.444   7.047
  169    HB3  CYS  27           2HB      CYS  27   2.045  -5.865   6.457
  170    H    SER  28           H        SER  28  -0.601  -3.814   7.532
  171    HA   SER  28           HA       SER  28  -3.338  -3.915   6.441
  172    HB2  SER  28           1HB      SER  28  -2.286  -2.884   9.037
  173    HB3  SER  28           2HB      SER  28  -3.639  -2.031   8.293
  174    HG   SER  28           HG       SER  28  -3.717  -4.828   8.537
  175    H    ARG  29           H        ARG  29  -1.937  -3.161   4.523
  176    HA   ARG  29           HA       ARG  29  -2.107  -0.241   4.447
  177    HB2  ARG  29           1HB      ARG  29   0.275  -1.707   3.315
  178    HB3  ARG  29           2HB      ARG  29   0.050   0.031   3.459
  179    HG2  ARG  29           1HG      ARG  29  -0.157  -0.674   6.043
  180    HG3  ARG  29           2HG      ARG  29   0.927  -1.940   5.461
  181    HD2  ARG  29           1HD      ARG  29   2.613  -0.477   5.004
  182    HD3  ARG  29           2HD      ARG  29   1.509   0.848   4.635
  183    HE   ARG  29           HE       ARG  29   1.449   0.157   7.398
  184   HH11  ARG  29          1HH1      ARG  29   3.273   1.884   4.987
  185   HH12  ARG  29          2HH1      ARG  29   3.972   2.991   6.121
  186   HH21  ARG  29          1HH2      ARG  29   2.363   1.609   8.901
  187   HH22  ARG  29          2HH2      ARG  29   3.455   2.833   8.347
  188    H    VAL  30           H        VAL  30  -2.899   0.545   2.571
  189    HA   VAL  30           HA       VAL  30  -3.550  -1.415   0.483
  190    HB   VAL  30           HB       VAL  30  -5.211   0.246  -0.298
  191   HG11  VAL  30          1HG1      VAL  30  -5.409  -1.485   1.788
  192   HG12  VAL  30          2HG1      VAL  30  -5.939   0.023   2.535
  193   HG13  VAL  30          3HG1      VAL  30  -6.760  -0.587   1.098
  194   HG21  VAL  30          3HG2      VAL  30  -3.730   1.998   1.334
  195   HG22  VAL  30          1HG2      VAL  30  -5.163   2.363   0.373
  196   HG23  VAL  30          2HG2      VAL  30  -5.333   1.870   2.057
  197    H    TYR  31           H        TYR  31  -3.207  -0.943  -1.712
  198    HA   TYR  31           HA       TYR  31  -1.675   1.428  -2.409
  199    HB2  TYR  31           1HB      TYR  31  -0.585  -1.336  -2.970
  200    HB3  TYR  31           2HB      TYR  31   0.163   0.198  -3.405
  201    HD1  TYR  31           HD2      TYR  31   1.139   1.639  -1.650
  202    HD2  TYR  31           HD1      TYR  31  -0.389  -2.230  -0.759
  203    HE1  TYR  31           HE2      TYR  31   2.349   1.661   0.492
  204    HE2  TYR  31           HE1      TYR  31   0.816  -2.219   1.385
  205    HH   TYR  31           HH       TYR  31   3.231  -0.573   2.130
  206    H    HIS  32           H        HIS  32  -2.104   2.119  -4.426
  207    HA   HIS  32           HA       HIS  32  -4.246   1.091  -5.884
  208    HB2  HIS  32           1HB      HIS  32  -2.104   3.091  -6.417
  209    HB3  HIS  32           2HB      HIS  32  -3.037   2.507  -7.792
  210    HD2  HIS  32           HD2      HIS  32  -5.902   2.444  -5.889
  211    HE1  HIS  32           HE1      HIS  32  -5.264   6.637  -6.014
  212    HE2  HIS  32           HE2      HIS  32  -6.896   4.796  -5.475
  213    H    LEU  33           H        LEU  33  -3.845   0.703  -8.416
  214    HA   LEU  33           HA       LEU  33  -2.301  -1.763  -8.522
  215    HB2  LEU  33           1HB      LEU  33  -4.436  -0.524 -10.198
  216    HB3  LEU  33           2HB      LEU  33  -3.393  -1.758 -10.903
  217    HG   LEU  33           HG       LEU  33  -5.137  -2.128  -8.468
  218   HD11  LEU  33          1HD1      LEU  33  -6.440  -3.610  -9.974
  219   HD12  LEU  33          2HD1      LEU  33  -5.485  -3.008 -11.329
  220   HD13  LEU  33          3HD1      LEU  33  -6.515  -1.904 -10.418
  221   HD21  LEU  33          3HD2      LEU  33  -3.908  -3.930  -8.063
  222   HD22  LEU  33          1HD2      LEU  33  -2.906  -3.604  -9.478
  223   HD23  LEU  33          2HD2      LEU  33  -4.372  -4.572  -9.639
  224    H    ASP  34           H        ASP  34  -2.182   1.493  -9.682
  225    HA   ASP  34           HA       ASP  34  -0.001   0.835 -11.530
  226    HB2  ASP  34           1HB      ASP  34  -2.049   2.923 -11.422
  227    HB3  ASP  34           2HB      ASP  34  -0.439   3.549 -11.765
  228    H    CYS  35           H        CYS  35  -0.642   2.196  -8.452
  229    HA   CYS  35           HA       CYS  35   1.968   3.517  -8.338
  230    HB2  CYS  35           1HB      CYS  35  -0.154   3.467  -6.191
  231    HB3  CYS  35           2HB      CYS  35   1.210   4.573  -6.330
  232    H    LEU  36           H        LEU  36   2.556   1.014  -8.573
  233    HA   LEU  36           HA       LEU  36   3.047   0.027  -5.840
  234    HB2  LEU  36           1HB      LEU  36   2.378  -1.442  -8.361
  235    HB3  LEU  36           2HB      LEU  36   3.265  -2.241  -7.065
  236    HG   LEU  36           HG       LEU  36   0.499  -1.053  -6.846
  237   HD11  LEU  36          1HD1      LEU  36   0.497  -3.794  -6.282
  238   HD12  LEU  36          2HD1      LEU  36   1.445  -3.606  -7.757
  239   HD13  LEU  36          3HD1      LEU  36  -0.203  -2.982  -7.684
  240   HD21  LEU  36          3HD2      LEU  36   2.373  -2.268  -4.860
  241   HD22  LEU  36          1HD2      LEU  36   0.630  -2.457  -4.662
  242   HD23  LEU  36          2HD2      LEU  36   1.343  -0.844  -4.707
  243    H    ASP  37           H        ASP  37   4.923  -1.770  -6.087
  244    HA   ASP  37           HA       ASP  37   7.035  -0.852  -7.861
  245    HB2  ASP  37           1HB      ASP  37   6.906   0.244  -5.339
  246    HB3  ASP  37           2HB      ASP  37   8.012  -1.108  -5.108
  247    HA   PRO  38           HA       PRO  38   7.638  -1.764  -9.392
  248    HB2  PRO  38           1HB      PRO  38   6.887  -3.657 -11.186
  249    HB3  PRO  38           2HB      PRO  38   8.550  -3.482 -10.615
  250    HG2  PRO  38           1HG      PRO  38   6.437  -5.409  -9.730
  251    HG3  PRO  38           2HG      PRO  38   8.157  -5.701 -10.043
  252    HD2  PRO  38           1HD      PRO  38   7.164  -5.391  -7.544
  253    HD3  PRO  38           2HD      PRO  38   8.801  -4.871  -7.991
  254    HA   PRO  39           HA       PRO  39   3.390  -0.755  -9.917
  255    HB2  PRO  39           1HB      PRO  39   3.237  -0.137 -12.556
  256    HB3  PRO  39           2HB      PRO  39   4.049   0.895 -11.373
  257    HG2  PRO  39           1HG      PRO  39   5.228  -1.082 -13.287
  258    HG3  PRO  39           2HG      PRO  39   5.793   0.547 -12.872
  259    HD2  PRO  39           1HD      PRO  39   6.898  -1.690 -11.820
  260    HD3  PRO  39           2HD      PRO  39   6.797  -0.162 -10.922
  261    H    LEU  40           H        LEU  40   1.376  -1.484 -10.684
  262    HA   LEU  40           HA       LEU  40   1.461  -4.068 -12.098
  263    HB2  LEU  40           1HB      LEU  40   0.104  -3.213  -9.647
  264    HB3  LEU  40           2HB      LEU  40  -0.931  -4.077 -10.782
  265    HG   LEU  40           HG       LEU  40   1.640  -5.113  -9.588
  266   HD11  LEU  40          1HD1      LEU  40   0.445  -6.054  -7.960
  267   HD12  LEU  40          2HD1      LEU  40  -0.826  -6.564  -9.071
  268   HD13  LEU  40          3HD1      LEU  40  -0.839  -4.930  -8.409
  269   HD21  LEU  40          3HD2      LEU  40   1.530  -6.164 -11.645
  270   HD22  LEU  40          1HD2      LEU  40  -0.234  -6.179 -11.660
  271   HD23  LEU  40          2HD2      LEU  40   0.648  -7.284 -10.605
  272    H    LYS  41           H        LYS  41  -0.941  -4.561 -12.895
  273    HA   LYS  41           HA       LYS  41  -2.092  -2.156 -14.111
  274    HB2  LYS  41           1HB      LYS  41  -0.554  -3.061 -15.776
  275    HB3  LYS  41           2HB      LYS  41  -1.300  -4.647 -15.631
  276    HG2  LYS  41           1HG      LYS  41  -2.172  -3.708 -17.597
  277    HG3  LYS  41           2HG      LYS  41  -3.453  -3.558 -16.392
  278    HD2  LYS  41           1HD      LYS  41  -2.298  -1.211 -15.987
  279    HD3  LYS  41           2HD      LYS  41  -1.764  -1.457 -17.652
  280    HE2  LYS  41           1HE      LYS  41  -4.429  -2.142 -17.738
  281    HE3  LYS  41           2HE      LYS  41  -4.403  -0.791 -16.607
  282    HZ1  LYS  41           3HZ      LYS  41  -3.931  -0.818 -19.456
  283    HZ2  LYS  41           1HZ      LYS  41  -2.815   0.101 -18.578
  284    HZ3  LYS  41           2HZ      LYS  41  -4.468   0.439 -18.459
  285    H    THR  42           H        THR  42  -2.578  -5.664 -14.490
  286    HA   THR  42           HA       THR  42  -5.434  -5.278 -14.020
  287    HB   THR  42           HB       THR  42  -5.766  -7.478 -14.906
  288    HG1  THR  42           HG1      THR  42  -4.253  -8.872 -14.395
  289   HG21  THR  42          3HG2      THR  42  -3.555  -6.493 -16.658
  290   HG22  THR  42          1HG2      THR  42  -4.991  -5.496 -16.431
  291   HG23  THR  42          2HG2      THR  42  -5.143  -7.120 -17.101
  292    H    ILE  43           H        ILE  43  -6.265  -7.626 -13.007
  293    HA   ILE  43           HA       ILE  43  -5.620  -7.377 -10.242
  294    HB   ILE  43           HB       ILE  43  -7.220  -9.529 -11.633
  295   HG12  ILE  43          1HG1      ILE  43  -8.159  -7.303 -12.010
  296   HG13  ILE  43          2HG1      ILE  43  -9.182  -8.222 -10.911
  297   HG21  ILE  43          1HG2      ILE  43  -7.415 -10.522  -9.660
  298   HG22  ILE  43          2HG2      ILE  43  -6.296  -9.347  -8.970
  299   HG23  ILE  43          3HG2      ILE  43  -8.031  -9.032  -8.947
  300   HD11  ILE  43          3HD1      ILE  43  -7.755  -5.726 -10.493
  301   HD12  ILE  43          1HD1      ILE  43  -9.135  -6.406  -9.631
  302   HD13  ILE  43          2HD1      ILE  43  -7.497  -6.901  -9.203
  303    HA   PRO  44           HA       PRO  44  -2.076 -10.106 -10.474
  304    HB2  PRO  44           1HB      PRO  44  -1.355  -9.787  -7.876
  305    HB3  PRO  44           2HB      PRO  44  -0.997  -8.590  -9.126
  306    HG2  PRO  44           1HG      PRO  44  -3.205  -8.616  -7.106
  307    HG3  PRO  44           2HG      PRO  44  -2.179  -7.266  -7.624
  308    HD2  PRO  44           1HD      PRO  44  -4.700  -7.616  -8.547
  309    HD3  PRO  44           2HD      PRO  44  -3.413  -6.896  -9.535
  310    H    LYS  45           H        LYS  45  -3.486 -11.960 -10.770
  311    HA   LYS  45           HA       LYS  45  -4.959 -13.257  -8.829
  312    HB2  LYS  45           1HB      LYS  45  -3.381 -14.335 -11.160
  313    HB3  LYS  45           2HB      LYS  45  -4.371 -15.372 -10.141
  314    HG2  LYS  45           1HG      LYS  45  -5.920 -13.118 -10.949
  315    HG3  LYS  45           2HG      LYS  45  -5.164 -13.844 -12.369
  316    HD2  LYS  45           1HD      LYS  45  -5.995 -16.080 -11.443
  317    HD3  LYS  45           2HD      LYS  45  -7.015 -15.116 -10.372
  318    HE2  LYS  45           1HE      LYS  45  -7.089 -14.369 -13.221
  319    HE3  LYS  45           2HE      LYS  45  -7.758 -15.953 -12.833
  320    HZ1  LYS  45           3HZ      LYS  45  -9.060 -14.737 -11.048
  321    HZ2  LYS  45           1HZ      LYS  45  -9.538 -14.475 -12.650
  322    HZ3  LYS  45           2HZ      LYS  45  -8.623 -13.306 -11.838
  323    H    GLY  46           H        GLY  46  -4.465 -15.261  -7.643
  324    HA2  GLY  46           1HA      GLY  46  -3.158 -16.579  -6.269
  325    HA3  GLY  46           2HA      GLY  46  -1.736 -15.926  -7.068
  326    H    MET  47           H        MET  47  -1.853 -16.410  -4.316
  327    HA   MET  47           HA       MET  47  -2.580 -14.314  -2.676
  328    HB2  MET  47           1HB      MET  47  -1.804 -16.381  -1.732
  329    HB3  MET  47           2HB      MET  47  -0.223 -16.191  -2.477
  330    HG2  MET  47           1HG      MET  47   0.488 -14.693  -0.926
  331    HG3  MET  47           2HG      MET  47  -1.131 -14.064  -0.628
  332    HE1  MET  47           3HE      MET  47   0.291 -14.400   2.184
  333    HE2  MET  47           1HE      MET  47   0.936 -16.021   2.451
  334    HE3  MET  47           2HE      MET  47   1.489 -15.068   1.074
  335    H    TRP  48           H        TRP  48  -2.191 -12.244  -3.211
  336    HA   TRP  48           HA       TRP  48   0.462 -11.472  -4.159
  337    HB2  TRP  48           1HB      TRP  48  -1.519 -10.631  -5.370
  338    HB3  TRP  48           2HB      TRP  48  -2.062  -9.823  -3.902
  339    HD1  TRP  48           HD1      TRP  48   0.601  -9.575  -6.645
  340    HE1  TRP  48           HE1      TRP  48   1.619  -7.212  -6.588
  341    HE3  TRP  48           HE3      TRP  48  -1.621  -7.838  -2.381
  342    HZ2  TRP  48           HZ2      TRP  48   1.496  -4.915  -4.952
  343    HZ3  TRP  48           HZ3      TRP  48  -1.117  -5.547  -1.638
  344    HH2  TRP  48           HH2      TRP  48   0.410  -4.118  -2.898
  345    H    ILE  49           H        ILE  49   1.760  -9.962  -3.120
  346    HA   ILE  49           HA       ILE  49   0.924  -9.042  -0.469
  347    HB   ILE  49           HB       ILE  49   3.587 -10.383  -0.942
  348   HG12  ILE  49          1HG1      ILE  49   1.195 -11.418   0.595
  349   HG13  ILE  49          2HG1      ILE  49   1.674 -11.976  -1.004
  350   HG21  ILE  49          1HG2      ILE  49   4.180  -9.288   0.900
  351   HG22  ILE  49          2HG2      ILE  49   2.540  -8.690   1.145
  352   HG23  ILE  49          3HG2      ILE  49   3.007 -10.268   1.779
  353   HD11  ILE  49          3HD1      ILE  49   3.893 -12.121   0.809
  354   HD12  ILE  49          1HD1      ILE  49   2.496 -12.973   1.465
  355   HD13  ILE  49          2HD1      ILE  49   3.121 -13.400  -0.128
  356    H    CYS  50           H        CYS  50   1.451  -6.983  -0.117
  357    HA   CYS  50           HA       CYS  50   2.505  -5.309  -2.041
  358    HB2  CYS  50           1HB      CYS  50   2.599  -3.611  -0.365
  359    HB3  CYS  50           2HB      CYS  50   1.225  -4.639   0.029
  360    HA   PRO  51           HA       PRO  51   6.867  -5.800  -2.020
  361    HB2  PRO  51           1HB      PRO  51   7.679  -3.270  -2.572
  362    HB3  PRO  51           2HB      PRO  51   6.920  -4.319  -3.775
  363    HG2  PRO  51           1HG      PRO  51   5.704  -2.130  -2.135
  364    HG3  PRO  51           2HG      PRO  51   5.473  -2.500  -3.854
  365    HD2  PRO  51           1HD      PRO  51   3.683  -3.221  -1.954
  366    HD3  PRO  51           2HD      PRO  51   3.965  -4.187  -3.416
  367    H    ARG  52           H        ARG  52   5.298  -3.759   0.234
  368    HA   ARG  52           HA       ARG  52   7.652  -2.902   1.638
  369    HB2  ARG  52           1HB      ARG  52   4.866  -2.310   1.699
  370    HB3  ARG  52           2HB      ARG  52   5.351  -2.798   3.317
  371    HG2  ARG  52           1HG      ARG  52   7.145  -0.891   1.975
  372    HG3  ARG  52           2HG      ARG  52   5.538  -0.285   2.380
  373    HD2  ARG  52           1HD      ARG  52   6.008  -1.352   4.701
  374    HD3  ARG  52           2HD      ARG  52   7.694  -1.298   4.189
  375    HE   ARG  52           HE       ARG  52   6.607   1.225   3.752
  376   HH11  ARG  52          1HH1      ARG  52   7.309  -0.888   6.428
  377   HH12  ARG  52          2HH1      ARG  52   7.566   0.405   7.551
  378   HH21  ARG  52          1HH2      ARG  52   6.943   2.937   5.222
  379   HH22  ARG  52          2HH2      ARG  52   7.357   2.581   6.865
  380    H    CYS  53           H        CYS  53   5.585  -5.671   1.689
  381    HA   CYS  53           HA       CYS  53   6.453  -6.547   4.311
  382    HB2  CYS  53           1HB      CYS  53   4.575  -7.598   2.229
  383    HB3  CYS  53           2HB      CYS  53   5.180  -8.691   3.470
  384    H    GLN  54           H        GLN  54   6.745  -7.784   0.979
  385    HA   GLN  54           HA       GLN  54   8.430  -9.915   1.463
  386    HB2  GLN  54           1HB      GLN  54   8.426  -8.075  -0.935
  387    HB3  GLN  54           2HB      GLN  54   9.175  -9.665  -0.880
  388    HG2  GLN  54           1HG      GLN  54   6.478  -9.931  -0.042
  389    HG3  GLN  54           2HG      GLN  54   6.507  -8.986  -1.530
  390   HE21  GLN  54          1HE2      GLN  54   6.738 -10.021  -3.399
  391   HE22  GLN  54          2HE2      GLN  54   7.142 -11.692  -3.573
  392    H    ASP  55           H        ASP  55   9.179  -6.504   1.282
  393    HA   ASP  55           HA       ASP  55  12.035  -7.099   1.640
  394    HB2  ASP  55           1HB      ASP  55  10.587  -4.605   0.746
  395    HB3  ASP  55           2HB      ASP  55  12.299  -4.614   1.164
  396    H    GLN  56           H        GLN  56  12.581  -7.262   3.714
  397    HA   GLN  56           HA       GLN  56  12.749  -6.860   5.948
  398    HB2  GLN  56           1HB      GLN  56  13.515  -4.637   4.802
  399    HB3  GLN  56           2HB      GLN  56  12.012  -3.998   5.455
  400    HG2  GLN  56           1HG      GLN  56  14.122  -5.352   7.116
  401    HG3  GLN  56           2HG      GLN  56  14.022  -3.609   6.871
  402   HE21  GLN  56          1HE2      GLN  56  12.201  -2.488   7.696
  403   HE22  GLN  56          2HE2      GLN  56  11.289  -3.132   9.014
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -12.199   7.680  18.167
    2    HA2  GLY   1           1HA      GLY   1 -11.063   8.114  15.674
    3    HA3  GLY   1           2HA      GLY   1 -10.847   6.650  16.624
    4    H    SER   2           H        SER   2 -11.726   4.797  15.914
    5    HA   SER   2           HA       SER   2 -12.712   3.321  14.489
    6    HB2  SER   2           1HB      SER   2 -14.706   4.902  15.487
    7    HB3  SER   2           2HB      SER   2 -14.945   5.095  13.750
    8    HG   SER   2           HG       SER   2 -14.549   2.524  14.796
    9    H    SER   3           H        SER   3 -10.800   5.161  13.381
   10    HA   SER   3           HA       SER   3 -11.594   6.279  10.942
   11    HB2  SER   3           1HB      SER   3  -9.426   6.742  12.066
   12    HB3  SER   3           2HB      SER   3  -8.880   5.124  11.627
   13    HG   SER   3           HG       SER   3  -8.140   6.469  10.050
   14    H    GLY   4           H        GLY   4 -12.358   5.338   9.175
   15    HA2  GLY   4           1HA      GLY   4 -12.185   3.872   7.326
   16    HA3  GLY   4           2HA      GLY   4 -11.232   2.776   8.315
   17    H    SER   5           H        SER   5 -12.563   1.044   7.590
   18    HA   SER   5           HA       SER   5 -15.272   1.040   8.746
   19    HB2  SER   5           1HB      SER   5 -14.127  -0.124   6.261
   20    HB3  SER   5           2HB      SER   5 -15.362  -1.071   7.090
   21    HG   SER   5           HG       SER   5 -16.058   0.557   5.456
   22    H    SER   6           H        SER   6 -12.376  -0.945   8.254
   23    HA   SER   6           HA       SER   6 -12.541  -2.096  10.839
   24    HB2  SER   6           1HB      SER   6 -13.843  -3.524   8.616
   25    HB3  SER   6           2HB      SER   6 -12.715  -4.502   9.554
   26    HG   SER   6           HG       SER   6 -15.181  -3.855  10.191
   27    H    GLY   7           H        GLY   7 -10.385  -1.369  10.834
   28    HA2  GLY   7           1HA      GLY   7  -8.119  -1.752  10.722
   29    HA3  GLY   7           2HA      GLY   7  -8.484  -3.323  10.023
   30    H    HIS   8           H        HIS   8  -6.303  -2.036   9.114
   31    HA   HIS   8           HA       HIS   8  -5.255  -1.311   7.229
   32    HB2  HIS   8           1HB      HIS   8  -7.824  -2.338   6.018
   33    HB3  HIS   8           2HB      HIS   8  -6.465  -1.770   5.052
   34    HD2  HIS   8           HD2      HIS   8  -5.248  -3.993   4.125
   35    HE1  HIS   8           HE1      HIS   8  -5.404  -6.299   7.682
   36    HE2  HIS   8           HE2      HIS   8  -4.534  -6.172   5.322
   37    H    GLU   9           H        GLU   9  -5.669   0.149   5.153
   38    HA   GLU   9           HA       GLU   9  -7.063   2.535   6.154
   39    HB2  GLU   9           1HB      GLU   9  -5.025   2.466   3.934
   40    HB3  GLU   9           2HB      GLU   9  -5.574   3.857   4.858
   41    HG2  GLU   9           1HG      GLU   9  -4.461   3.044   6.832
   42    HG3  GLU   9           2HG      GLU   9  -4.002   1.560   5.999
   43    H    ASP  10           H        ASP  10  -7.412   4.014   3.943
   44    HA   ASP  10           HA       ASP  10  -8.836   2.391   1.973
   45    HB2  ASP  10           1HB      ASP  10 -10.206   3.596   4.060
   46    HB3  ASP  10           2HB      ASP  10 -10.390   4.740   2.734
   47    H    PHE  11           H        PHE  11  -6.407   4.110   2.065
   48    HA   PHE  11           HA       PHE  11  -7.039   5.692  -0.299
   49    HB2  PHE  11           1HB      PHE  11  -5.503   6.932   1.985
   50    HB3  PHE  11           2HB      PHE  11  -6.073   7.718   0.517
   51    HD1  PHE  11           HD2      PHE  11  -8.561   7.981   0.181
   52    HD2  PHE  11           HD1      PHE  11  -6.834   6.846   3.902
   53    HE1  PHE  11           HE2      PHE  11 -10.627   8.646   1.339
   54    HE2  PHE  11           HE1      PHE  11  -8.898   7.508   5.066
   55    HZ   PHE  11           HZ       PHE  11 -10.798   8.411   3.785
   56    H    CYS  12           H        CYS  12  -5.389   5.805  -1.751
   57    HA   CYS  12           HA       CYS  12  -3.380   3.913  -1.746
   58    HB2  CYS  12           1HB      CYS  12  -4.186   5.172  -3.742
   59    HB3  CYS  12           2HB      CYS  12  -3.287   6.576  -3.177
   60    H    SER  13           H        SER  13  -1.280   3.825  -1.107
   61    HA   SER  13           HA       SER  13  -0.406   5.911   0.743
   62    HB2  SER  13           1HB      SER  13  -0.323   3.168   0.917
   63    HB3  SER  13           2HB      SER  13   1.328   3.562   0.436
   64    HG   SER  13           HG       SER  13   0.186   3.824   2.833
   65    H    VAL  14           H        VAL  14  -0.339   6.520  -2.028
   66    HA   VAL  14           HA       VAL  14   2.500   7.120  -2.293
   67    HB   VAL  14           HB       VAL  14   0.951   5.821  -4.539
   68   HG11  VAL  14          1HG1      VAL  14   3.253   5.794  -5.603
   69   HG12  VAL  14          2HG1      VAL  14   2.458   7.366  -5.494
   70   HG13  VAL  14          3HG1      VAL  14   3.736   6.941  -4.354
   71   HG21  VAL  14          3HG2      VAL  14   1.567   4.216  -2.798
   72   HG22  VAL  14          1HG2      VAL  14   2.493   3.947  -4.275
   73   HG23  VAL  14          2HG2      VAL  14   3.245   4.749  -2.897
   74    H    CYS  15           H        CYS  15  -0.741   7.468  -3.697
   75    HA   CYS  15           HA       CYS  15  -0.044  10.241  -4.412
   76    HB2  CYS  15           1HB      CYS  15  -1.741  10.109  -6.171
   77    HB3  CYS  15           2HB      CYS  15  -0.532   8.846  -6.376
   78    H    ARG  16           H        ARG  16  -2.227   8.150  -2.727
   79    HA   ARG  16           HA       ARG  16  -3.909   8.547  -1.250
   80    HB2  ARG  16           1HB      ARG  16  -3.072  11.446  -1.307
   81    HB3  ARG  16           2HB      ARG  16  -3.909  10.593  -0.017
   82    HG2  ARG  16           1HG      ARG  16  -1.958  10.181   0.936
   83    HG3  ARG  16           2HG      ARG  16  -1.498   9.213  -0.466
   84    HD2  ARG  16           1HD      ARG  16  -0.550  11.130  -1.551
   85    HD3  ARG  16           2HD      ARG  16  -1.167  12.203  -0.295
   86    HE   ARG  16           HE       ARG  16   1.209  10.592  -0.186
   87   HH11  ARG  16          1HH1      ARG  16  -1.258  12.179   1.689
   88   HH12  ARG  16          2HH1      ARG  16  -0.274  12.319   3.108
   89   HH21  ARG  16          1HH2      ARG  16   2.515  10.771   1.675
   90   HH22  ARG  16          2HH2      ARG  16   1.873  11.518   3.099
   91    H    LYS  17           H        LYS  17  -5.449   8.072  -2.892
   92    HA   LYS  17           HA       LYS  17  -7.111  10.382  -3.565
   93    HB2  LYS  17           1HB      LYS  17  -6.370   8.276  -5.602
   94    HB3  LYS  17           2HB      LYS  17  -7.395   9.680  -5.866
   95    HG2  LYS  17           1HG      LYS  17  -4.512   9.908  -5.056
   96    HG3  LYS  17           2HG      LYS  17  -5.034   9.830  -6.740
   97    HD2  LYS  17           1HD      LYS  17  -6.657  11.760  -5.492
   98    HD3  LYS  17           2HD      LYS  17  -5.007  12.072  -4.949
   99    HE2  LYS  17           1HE      LYS  17  -4.282  12.623  -7.033
  100    HE3  LYS  17           2HE      LYS  17  -5.396  11.515  -7.832
  101    HZ1  LYS  17           3HZ      LYS  17  -5.966  14.215  -6.764
  102    HZ2  LYS  17           1HZ      LYS  17  -7.198  13.120  -7.145
  103    HZ3  LYS  17           2HZ      LYS  17  -6.143  13.660  -8.352
  104    H    SER  18           H        SER  18  -9.192   9.424  -4.754
  105    HA   SER  18           HA       SER  18 -10.172   7.307  -2.971
  106    HB2  SER  18           1HB      SER  18 -12.356   8.189  -3.252
  107    HB3  SER  18           2HB      SER  18 -11.308   9.596  -3.072
  108    HG   SER  18           HG       SER  18 -12.072  10.212  -4.919
  109    H    GLY  19           H        GLY  19 -11.580   5.662  -3.824
  110    HA2  GLY  19           1HA      GLY  19 -12.559   4.871  -6.049
  111    HA3  GLY  19           2HA      GLY  19 -10.899   4.993  -6.614
  112    H    GLN  20           H        GLN  20 -10.663   2.830  -7.097
  113    HA   GLN  20           HA       GLN  20 -11.134   0.861  -5.003
  114    HB2  GLN  20           1HB      GLN  20 -10.377   0.644  -7.911
  115    HB3  GLN  20           2HB      GLN  20 -10.375  -0.747  -6.835
  116    HG2  GLN  20           1HG      GLN  20 -12.697  -0.638  -6.511
  117    HG3  GLN  20           2HG      GLN  20 -12.795   0.987  -7.189
  118   HE21  GLN  20          1HE2      GLN  20 -14.551  -0.343  -8.331
  119   HE22  GLN  20          2HE2      GLN  20 -14.097  -1.033  -9.848
  120    H    LEU  21           H        LEU  21  -9.587  -0.032  -3.785
  121    HA   LEU  21           HA       LEU  21  -6.780   0.381  -4.561
  122    HB2  LEU  21           1HB      LEU  21  -8.182   1.197  -2.112
  123    HB3  LEU  21           2HB      LEU  21  -6.647   0.372  -1.848
  124    HG   LEU  21           HG       LEU  21  -6.732   2.650  -3.769
  125   HD11  LEU  21          1HD1      LEU  21  -7.929   3.160  -1.489
  126   HD12  LEU  21          2HD1      LEU  21  -6.782   4.303  -2.187
  127   HD13  LEU  21          3HD1      LEU  21  -6.273   3.228  -0.885
  128   HD21  LEU  21          3HD2      LEU  21  -4.491   2.712  -3.442
  129   HD22  LEU  21          1HD2      LEU  21  -4.756   1.024  -3.003
  130   HD23  LEU  21          2HD2      LEU  21  -4.612   2.250  -1.744
  131    H    LEU  22           H        LEU  22  -5.308  -1.214  -3.869
  132    HA   LEU  22           HA       LEU  22  -6.524  -3.826  -3.516
  133    HB2  LEU  22           1HB      LEU  22  -4.532  -3.130  -5.070
  134    HB3  LEU  22           2HB      LEU  22  -3.575  -3.377  -3.610
  135    HG   LEU  22           HG       LEU  22  -4.365  -5.705  -3.509
  136   HD11  LEU  22          1HD1      LEU  22  -6.379  -5.956  -4.516
  137   HD12  LEU  22          2HD1      LEU  22  -5.357  -6.410  -5.880
  138   HD13  LEU  22          3HD1      LEU  22  -6.021  -4.780  -5.781
  139   HD21  LEU  22          3HD2      LEU  22  -2.343  -4.797  -4.914
  140   HD22  LEU  22          1HD2      LEU  22  -3.320  -5.345  -6.276
  141   HD23  LEU  22          2HD2      LEU  22  -2.832  -6.488  -5.025
  142    H    MET  23           H        MET  23  -5.871  -5.315  -1.874
  143    HA   MET  23           HA       MET  23  -4.874  -4.003   0.569
  144    HB2  MET  23           1HB      MET  23  -6.864  -6.272   0.419
  145    HB3  MET  23           2HB      MET  23  -6.318  -5.455   1.877
  146    HG2  MET  23           1HG      MET  23  -7.282  -3.337   0.878
  147    HG3  MET  23           2HG      MET  23  -8.054  -4.376  -0.317
  148    HE1  MET  23           3HE      MET  23 -10.344  -2.705   1.469
  149    HE2  MET  23           1HE      MET  23  -9.981  -2.930   3.180
  150    HE3  MET  23           2HE      MET  23  -8.745  -2.296   2.093
  151    H    CYS  24           H        CYS  24  -3.454  -5.143   1.876
  152    HA   CYS  24           HA       CYS  24  -1.994  -7.258   0.523
  153    HB2  CYS  24           1HB      CYS  24  -0.764  -5.399   1.573
  154    HB3  CYS  24           2HB      CYS  24  -1.425  -5.851   3.141
  155    H    ASP  25           H        ASP  25  -1.646  -9.319   1.335
  156    HA   ASP  25           HA       ASP  25  -3.705 -10.254   3.184
  157    HB2  ASP  25           1HB      ASP  25  -2.907 -11.290   0.828
  158    HB3  ASP  25           2HB      ASP  25  -1.848 -12.186   1.914
  159    H    THR  26           H        THR  26  -1.625  -8.761   4.338
  160    HA   THR  26           HA       THR  26  -0.693 -10.658   6.297
  161    HB   THR  26           HB       THR  26   1.648  -9.165   5.600
  162    HG1  THR  26           HG1      THR  26   1.905  -9.610   3.509
  163   HG21  THR  26          3HG2      THR  26   1.729 -11.206   6.865
  164   HG22  THR  26          1HG2      THR  26   2.594 -11.463   5.350
  165   HG23  THR  26          2HG2      THR  26   0.964 -12.104   5.554
  166    H    CYS  27           H        CYS  27   0.342  -7.425   5.194
  167    HA   CYS  27           HA       CYS  27   0.112  -6.434   7.918
  168    HB2  CYS  27           1HB      CYS  27   1.249  -4.461   7.121
  169    HB3  CYS  27           2HB      CYS  27   2.086  -5.878   6.496
  170    H    SER  28           H        SER  28  -0.553  -3.822   7.604
  171    HA   SER  28           HA       SER  28  -3.303  -3.941   6.547
  172    HB2  SER  28           1HB      SER  28  -2.223  -2.929   9.128
  173    HB3  SER  28           2HB      SER  28  -3.534  -2.009   8.390
  174    HG   SER  28           HG       SER  28  -3.691  -4.810   8.704
  175    H    ARG  29           H        ARG  29  -2.081  -3.194   4.568
  176    HA   ARG  29           HA       ARG  29  -2.202  -0.281   4.475
  177    HB2  ARG  29           1HB      ARG  29   0.153  -1.762   3.307
  178    HB3  ARG  29           2HB      ARG  29  -0.073  -0.021   3.417
  179    HG2  ARG  29           1HG      ARG  29  -0.140  -0.464   5.979
  180    HG3  ARG  29           2HG      ARG  29   0.667  -1.972   5.547
  181    HD2  ARG  29           1HD      ARG  29   2.594  -0.935   5.001
  182    HD3  ARG  29           2HD      ARG  29   1.766   0.451   4.293
  183    HE   ARG  29           HE       ARG  29   1.330   0.796   6.925
  184   HH11  ARG  29          1HH1      ARG  29   4.213   0.152   5.083
  185   HH12  ARG  29          2HH1      ARG  29   5.258   0.995   6.178
  186   HH21  ARG  29          1HH2      ARG  29   2.695   1.909   8.374
  187   HH22  ARG  29          2HH2      ARG  29   4.394   1.993   8.050
  188    H    VAL  30           H        VAL  30  -2.756   0.553   2.471
  189    HA   VAL  30           HA       VAL  30  -3.538  -1.454   0.459
  190    HB   VAL  30           HB       VAL  30  -5.266   0.107  -0.285
  191   HG11  VAL  30          1HG1      VAL  30  -6.723  -0.678   1.223
  192   HG12  VAL  30          2HG1      VAL  30  -5.319  -1.444   1.969
  193   HG13  VAL  30          3HG1      VAL  30  -5.899   0.111   2.567
  194   HG21  VAL  30          3HG2      VAL  30  -4.108   2.189   0.329
  195   HG22  VAL  30          1HG2      VAL  30  -5.759   2.140   0.946
  196   HG23  VAL  30          2HG2      VAL  30  -4.403   1.837   2.032
  197    H    TYR  31           H        TYR  31  -3.240  -0.971  -1.744
  198    HA   TYR  31           HA       TYR  31  -1.752   1.420  -2.463
  199    HB2  TYR  31           1HB      TYR  31  -0.620  -1.331  -3.015
  200    HB3  TYR  31           2HB      TYR  31   0.090   0.208  -3.488
  201    HD1  TYR  31           HD2      TYR  31   1.024   1.721  -1.748
  202    HD2  TYR  31           HD1      TYR  31  -0.319  -2.208  -0.821
  203    HE1  TYR  31           HE2      TYR  31   2.272   1.801   0.370
  204    HE2  TYR  31           HE1      TYR  31   0.925  -2.139   1.300
  205    HH   TYR  31           HH       TYR  31   2.643  -1.011   2.391
  206    H    HIS  32           H        HIS  32  -2.204   2.093  -4.482
  207    HA   HIS  32           HA       HIS  32  -4.350   1.031  -5.911
  208    HB2  HIS  32           1HB      HIS  32  -2.231   3.047  -6.493
  209    HB3  HIS  32           2HB      HIS  32  -3.199   2.454  -7.840
  210    HD2  HIS  32           HD2      HIS  32  -5.988   2.386  -5.792
  211    HE1  HIS  32           HE1      HIS  32  -5.410   6.580  -6.062
  212    HE2  HIS  32           HE2      HIS  32  -6.990   4.737  -5.393
  213    H    LEU  33           H        LEU  33  -3.969   0.637  -8.447
  214    HA   LEU  33           HA       LEU  33  -2.398  -1.812  -8.557
  215    HB2  LEU  33           1HB      LEU  33  -4.569  -0.605 -10.206
  216    HB3  LEU  33           2HB      LEU  33  -3.512  -1.813 -10.935
  217    HG   LEU  33           HG       LEU  33  -5.217  -2.236  -8.480
  218   HD11  LEU  33          1HD1      LEU  33  -6.331  -3.874 -10.154
  219   HD12  LEU  33          2HD1      LEU  33  -5.626  -2.823 -11.382
  220   HD13  LEU  33          3HD1      LEU  33  -6.757  -2.163 -10.200
  221   HD21  LEU  33          3HD2      LEU  33  -3.529  -3.753  -8.182
  222   HD22  LEU  33          1HD2      LEU  33  -3.195  -3.889  -9.908
  223   HD23  LEU  33          2HD2      LEU  33  -4.609  -4.687  -9.219
  224    H    ASP  34           H        ASP  34  -2.329   1.440  -9.736
  225    HA   ASP  34           HA       ASP  34  -0.155   0.799 -11.598
  226    HB2  ASP  34           1HB      ASP  34  -1.934   3.208 -11.273
  227    HB3  ASP  34           2HB      ASP  34  -0.465   3.266 -12.243
  228    H    CYS  35           H        CYS  35  -0.778   2.149  -8.516
  229    HA   CYS  35           HA       CYS  35   1.818   3.502  -8.432
  230    HB2  CYS  35           1HB      CYS  35  -0.285   3.444  -6.266
  231    HB3  CYS  35           2HB      CYS  35   1.067   4.561  -6.423
  232    H    LEU  36           H        LEU  36   2.434   1.008  -8.659
  233    HA   LEU  36           HA       LEU  36   2.953   0.037  -5.926
  234    HB2  LEU  36           1HB      LEU  36   2.279  -1.451  -8.436
  235    HB3  LEU  36           2HB      LEU  36   3.182  -2.235  -7.141
  236    HG   LEU  36           HG       LEU  36   0.407  -1.071  -6.910
  237   HD11  LEU  36          1HD1      LEU  36   0.437  -3.809  -6.331
  238   HD12  LEU  36          2HD1      LEU  36   1.370  -3.620  -7.814
  239   HD13  LEU  36          3HD1      LEU  36  -0.283  -3.012  -7.730
  240   HD21  LEU  36          3HD2      LEU  36   0.555  -2.445  -4.717
  241   HD22  LEU  36          1HD2      LEU  36   1.283  -0.840  -4.781
  242   HD23  LEU  36          2HD2      LEU  36   2.298  -2.275  -4.929
  243    H    ASP  37           H        ASP  37   4.844  -1.743  -6.180
  244    HA   ASP  37           HA       ASP  37   6.933  -0.812  -7.974
  245    HB2  ASP  37           1HB      ASP  37   6.905   0.476  -5.671
  246    HB3  ASP  37           2HB      ASP  37   7.678  -0.993  -5.083
  247    HA   PRO  38           HA       PRO  38   7.531  -1.723  -9.507
  248    HB2  PRO  38           1HB      PRO  38   6.783  -3.629 -11.290
  249    HB3  PRO  38           2HB      PRO  38   8.449  -3.436 -10.733
  250    HG2  PRO  38           1HG      PRO  38   6.361  -5.379  -9.825
  251    HG3  PRO  38           2HG      PRO  38   8.081  -5.657 -10.152
  252    HD2  PRO  38           1HD      PRO  38   7.106  -5.349  -7.645
  253    HD3  PRO  38           2HD      PRO  38   8.734  -4.816  -8.108
  254    HA   PRO  39           HA       PRO  39   3.271  -0.754 -10.000
  255    HB2  PRO  39           1HB      PRO  39   3.090  -0.146 -12.640
  256    HB3  PRO  39           2HB      PRO  39   3.902   0.897 -11.467
  257    HG2  PRO  39           1HG      PRO  39   5.083  -1.075 -13.384
  258    HG3  PRO  39           2HG      PRO  39   5.636   0.560 -12.979
  259    HD2  PRO  39           1HD      PRO  39   6.770  -1.664 -11.930
  260    HD3  PRO  39           2HD      PRO  39   6.664  -0.134 -11.036
  261    H    LEU  40           H        LEU  40   1.257  -1.503 -10.750
  262    HA   LEU  40           HA       LEU  40   1.353  -4.090 -12.157
  263    HB2  LEU  40           1HB      LEU  40   0.011  -3.243  -9.695
  264    HB3  LEU  40           2HB      LEU  40  -1.026  -4.119 -10.819
  265    HG   LEU  40           HG       LEU  40   1.565  -5.128  -9.646
  266   HD11  LEU  40          1HD1      LEU  40   0.392  -6.144  -8.034
  267   HD12  LEU  40          2HD1      LEU  40  -0.935  -6.554  -9.120
  268   HD13  LEU  40          3HD1      LEU  40  -0.851  -4.947  -8.400
  269   HD21  LEU  40          3HD2      LEU  40   1.436  -6.173 -11.711
  270   HD22  LEU  40          1HD2      LEU  40  -0.327  -6.229 -11.687
  271   HD23  LEU  40          2HD2      LEU  40   0.603  -7.310 -10.649
  272    H    LYS  41           H        LYS  41  -1.052  -4.608 -12.930
  273    HA   LYS  41           HA       LYS  41  -2.228  -2.215 -14.149
  274    HB2  LYS  41           1HB      LYS  41  -0.767  -3.056 -15.864
  275    HB3  LYS  41           2HB      LYS  41  -1.350  -4.698 -15.627
  276    HG2  LYS  41           1HG      LYS  41  -3.462  -4.178 -16.572
  277    HG3  LYS  41           2HG      LYS  41  -3.109  -2.448 -16.565
  278    HD2  LYS  41           1HD      LYS  41  -1.416  -2.730 -18.246
  279    HD3  LYS  41           2HD      LYS  41  -1.562  -4.487 -18.161
  280    HE2  LYS  41           1HE      LYS  41  -3.444  -4.524 -19.415
  281    HE3  LYS  41           2HE      LYS  41  -4.046  -3.008 -18.746
  282    HZ1  LYS  41           3HZ      LYS  41  -2.664  -1.771 -20.184
  283    HZ2  LYS  41           1HZ      LYS  41  -3.401  -2.949 -21.149
  284    HZ3  LYS  41           2HZ      LYS  41  -1.792  -3.138 -20.665
  285    H    THR  42           H        THR  42  -2.712  -5.727 -14.489
  286    HA   THR  42           HA       THR  42  -5.562  -5.342 -13.988
  287    HB   THR  42           HB       THR  42  -5.904  -7.546 -14.854
  288    HG1  THR  42           HG1      THR  42  -4.305  -8.809 -14.098
  289   HG21  THR  42          3HG2      THR  42  -3.698  -6.459 -16.582
  290   HG22  THR  42          1HG2      THR  42  -5.251  -5.636 -16.439
  291   HG23  THR  42          2HG2      THR  42  -5.180  -7.282 -17.071
  292    H    ILE  43           H        ILE  43  -6.376  -7.683 -12.943
  293    HA   ILE  43           HA       ILE  43  -5.699  -7.406 -10.189
  294    HB   ILE  43           HB       ILE  43  -7.310  -9.575 -11.540
  295   HG12  ILE  43          1HG1      ILE  43  -8.237  -7.058 -10.140
  296   HG13  ILE  43          2HG1      ILE  43  -8.190  -7.277 -11.886
  297   HG21  ILE  43          1HG2      ILE  43  -6.357  -9.363  -8.889
  298   HG22  ILE  43          2HG2      ILE  43  -8.092  -9.055  -8.851
  299   HG23  ILE  43          3HG2      ILE  43  -7.477 -10.551  -9.555
  300   HD11  ILE  43          3HD1      ILE  43 -10.185  -8.098  -9.973
  301   HD12  ILE  43          1HD1      ILE  43 -10.277  -7.997 -11.731
  302   HD13  ILE  43          2HD1      ILE  43  -9.635  -9.450 -10.964
  303    HA   PRO  44           HA       PRO  44  -2.151 -10.130 -10.438
  304    HB2  PRO  44           1HB      PRO  44  -1.400  -9.784  -7.852
  305    HB3  PRO  44           2HB      PRO  44  -1.059  -8.598  -9.118
  306    HG2  PRO  44           1HG      PRO  44  -3.243  -8.610  -7.071
  307    HG3  PRO  44           2HG      PRO  44  -2.226  -7.263  -7.614
  308    HD2  PRO  44           1HD      PRO  44  -4.758  -7.628  -8.503
  309    HD3  PRO  44           2HD      PRO  44  -3.485  -6.914  -9.514
  310    H    LYS  45           H        LYS  45  -3.517 -12.006 -10.700
  311    HA   LYS  45           HA       LYS  45  -4.989 -13.288  -8.749
  312    HB2  LYS  45           1HB      LYS  45  -3.779 -14.007 -11.292
  313    HB3  LYS  45           2HB      LYS  45  -3.787 -15.361 -10.170
  314    HG2  LYS  45           1HG      LYS  45  -6.326 -14.001 -10.153
  315    HG3  LYS  45           2HG      LYS  45  -5.879 -14.495 -11.787
  316    HD2  LYS  45           1HD      LYS  45  -6.131 -16.680 -11.323
  317    HD3  LYS  45           2HD      LYS  45  -5.386 -16.526  -9.730
  318    HE2  LYS  45           1HE      LYS  45  -7.369 -16.377  -8.712
  319    HE3  LYS  45           2HE      LYS  45  -7.973 -15.209  -9.886
  320    HZ1  LYS  45           3HZ      LYS  45  -8.283 -18.098  -9.815
  321    HZ2  LYS  45           1HZ      LYS  45  -8.023 -17.423 -11.345
  322    HZ3  LYS  45           2HZ      LYS  45  -9.332 -16.910 -10.405
  323    H    GLY  46           H        GLY  46  -4.447 -15.348  -7.608
  324    HA2  GLY  46           1HA      GLY  46  -3.144 -16.602  -6.180
  325    HA3  GLY  46           2HA      GLY  46  -1.725 -15.936  -6.975
  326    H    MET  47           H        MET  47  -1.880 -16.399  -4.212
  327    HA   MET  47           HA       MET  47  -2.641 -14.287  -2.607
  328    HB2  MET  47           1HB      MET  47  -1.798 -16.443  -1.759
  329    HB3  MET  47           2HB      MET  47  -0.177 -16.011  -2.287
  330    HG2  MET  47           1HG      MET  47  -0.569 -13.921  -0.764
  331    HG3  MET  47           2HG      MET  47  -1.774 -14.961  -0.008
  332    HE1  MET  47           3HE      MET  47  -0.302 -14.112   1.923
  333    HE2  MET  47           1HE      MET  47  -0.593 -15.749   2.513
  334    HE3  MET  47           2HE      MET  47   1.033 -15.068   2.568
  335    H    TRP  48           H        TRP  48  -2.254 -12.221  -3.158
  336    HA   TRP  48           HA       TRP  48   0.397 -11.443  -4.099
  337    HB2  TRP  48           1HB      TRP  48  -1.614 -10.610  -5.287
  338    HB3  TRP  48           2HB      TRP  48  -2.113  -9.777  -3.817
  339    HD1  TRP  48           HD1      TRP  48   0.506  -9.604  -6.611
  340    HE1  TRP  48           HE1      TRP  48   1.550  -7.251  -6.608
  341    HE3  TRP  48           HE3      TRP  48  -1.633  -7.772  -2.344
  342    HZ2  TRP  48           HZ2      TRP  48   1.477  -4.926  -5.008
  343    HZ3  TRP  48           HZ3      TRP  48  -1.093  -5.474  -1.647
  344    HH2  TRP  48           HH2      TRP  48   0.430  -4.083  -2.953
  345    H    ILE  49           H        ILE  49   1.703  -9.944  -3.061
  346    HA   ILE  49           HA       ILE  49   0.878  -9.027  -0.404
  347    HB   ILE  49           HB       ILE  49   3.543 -10.356  -0.894
  348   HG12  ILE  49          1HG1      ILE  49   1.161 -11.414   0.642
  349   HG13  ILE  49          2HG1      ILE  49   1.639 -11.959  -0.962
  350   HG21  ILE  49          1HG2      ILE  49   2.542  -8.643   1.170
  351   HG22  ILE  49          2HG2      ILE  49   2.899 -10.235   1.838
  352   HG23  ILE  49          3HG2      ILE  49   4.152  -9.337   0.982
  353   HD11  ILE  49          3HD1      ILE  49   3.863 -12.104   0.844
  354   HD12  ILE  49          1HD1      ILE  49   2.472 -12.969   1.497
  355   HD13  ILE  49          2HD1      ILE  49   3.096 -13.380  -0.101
  356    H    CYS  50           H        CYS  50   1.416  -6.972  -0.037
  357    HA   CYS  50           HA       CYS  50   2.444  -5.284  -1.963
  358    HB2  CYS  50           1HB      CYS  50   2.560  -3.598  -0.277
  359    HB3  CYS  50           2HB      CYS  50   1.191  -4.629   0.128
  360    HA   PRO  51           HA       PRO  51   6.806  -5.775  -2.001
  361    HB2  PRO  51           1HB      PRO  51   7.611  -3.240  -2.546
  362    HB3  PRO  51           2HB      PRO  51   6.836  -4.281  -3.747
  363    HG2  PRO  51           1HG      PRO  51   5.642  -2.104  -2.076
  364    HG3  PRO  51           2HG      PRO  51   5.389  -2.462  -3.794
  365    HD2  PRO  51           1HD      PRO  51   3.623  -3.196  -1.877
  366    HD3  PRO  51           2HD      PRO  51   3.887  -4.153  -3.349
  367    H    ARG  52           H        ARG  52   5.267  -3.750   0.287
  368    HA   ARG  52           HA       ARG  52   7.639  -2.904   1.666
  369    HB2  ARG  52           1HB      ARG  52   4.737  -2.547   1.959
  370    HB3  ARG  52           2HB      ARG  52   5.609  -2.626   3.484
  371    HG2  ARG  52           1HG      ARG  52   5.463  -0.344   2.877
  372    HG3  ARG  52           2HG      ARG  52   7.132  -0.845   2.598
  373    HD2  ARG  52           1HD      ARG  52   5.489  -1.269   0.257
  374    HD3  ARG  52           2HD      ARG  52   5.433   0.411   0.788
  375    HE   ARG  52           HE       ARG  52   7.676  -0.972  -0.361
  376   HH11  ARG  52          1HH1      ARG  52   6.673   1.687   1.650
  377   HH12  ARG  52          2HH1      ARG  52   8.108   2.616   1.362
  378   HH21  ARG  52          1HH2      ARG  52   9.569   0.241  -0.748
  379   HH22  ARG  52          2HH2      ARG  52   9.753   1.792  -0.002
  380    H    CYS  53           H        CYS  53   5.592  -5.681   1.706
  381    HA   CYS  53           HA       CYS  53   6.484  -6.572   4.318
  382    HB2  CYS  53           1HB      CYS  53   4.580  -7.606   2.252
  383    HB3  CYS  53           2HB      CYS  53   5.202  -8.710   3.475
  384    H    GLN  54           H        GLN  54   6.723  -7.803   0.979
  385    HA   GLN  54           HA       GLN  54   8.423  -9.928   1.432
  386    HB2  GLN  54           1HB      GLN  54   8.294  -8.083  -0.957
  387    HB3  GLN  54           2HB      GLN  54   9.166  -9.610  -0.935
  388    HG2  GLN  54           1HG      GLN  54   6.369  -9.799  -0.093
  389    HG3  GLN  54           2HG      GLN  54   6.602  -9.285  -1.763
  390   HE21  GLN  54          1HE2      GLN  54   6.422 -10.934  -3.086
  391   HE22  GLN  54          2HE2      GLN  54   7.030 -12.529  -2.823
  392    H    ASP  55           H        ASP  55   9.142  -6.520   1.320
  393    HA   ASP  55           HA       ASP  55  11.015  -5.330   1.822
  394    HB2  ASP  55           1HB      ASP  55  10.992  -6.981   3.775
  395    HB3  ASP  55           2HB      ASP  55  12.224  -7.877   2.891
  396    H    GLN  56           H        GLN  56  11.130  -5.471  -0.631
  397    HA   GLN  56           HA       GLN  56  12.388  -5.581  -2.522
  398    HB2  GLN  56           1HB      GLN  56  14.236  -5.269  -0.343
  399    HB3  GLN  56           2HB      GLN  56  14.961  -6.276  -1.590
  400    HG2  GLN  56           1HG      GLN  56  13.624  -3.715  -2.336
  401    HG3  GLN  56           2HG      GLN  56  15.254  -3.702  -1.664
  402   HE21  GLN  56          1HE2      GLN  56  13.856  -3.320  -4.425
  403   HE22  GLN  56          2HE2      GLN  56  14.915  -4.164  -5.498
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -12.456   9.984  19.968
    2    HA2  GLY   1           1HA      GLY   1 -10.505  10.831  19.030
    3    HA3  GLY   1           2HA      GLY   1  -9.728   9.281  19.315
    4    H    SER   2           H        SER   2  -8.854   8.905  17.342
    5    HA   SER   2           HA       SER   2 -10.749   8.658  15.099
    6    HB2  SER   2           1HB      SER   2  -9.081  10.600  14.954
    7    HB3  SER   2           2HB      SER   2  -7.838   9.367  14.745
    8    HG   SER   2           HG       SER   2  -8.758  10.214  12.760
    9    H    SER   3           H        SER   3 -10.724   6.452  16.298
   10    HA   SER   3           HA       SER   3  -9.201   4.649  14.661
   11    HB2  SER   3           1HB      SER   3  -7.997   3.518  16.426
   12    HB3  SER   3           2HB      SER   3  -7.581   5.231  16.479
   13    HG   SER   3           HG       SER   3  -8.916   5.488  18.237
   14    H    GLY   4           H        GLY   4  -9.968   2.500  14.750
   15    HA2  GLY   4           1HA      GLY   4 -11.399   0.774  15.410
   16    HA3  GLY   4           2HA      GLY   4 -12.126   1.858  16.587
   17    H    SER   5           H        SER   5 -11.725   2.074  13.056
   18    HA   SER   5           HA       SER   5 -14.636   2.494  12.865
   19    HB2  SER   5           1HB      SER   5 -12.474   4.069  11.905
   20    HB3  SER   5           2HB      SER   5 -13.285   3.377  10.500
   21    HG   SER   5           HG       SER   5 -14.983   4.569  10.890
   22    H    SER   6           H        SER   6 -11.853   0.836  11.526
   23    HA   SER   6           HA       SER   6 -13.517  -1.252  10.478
   24    HB2  SER   6           1HB      SER   6 -13.241   0.801   8.741
   25    HB3  SER   6           2HB      SER   6 -11.802  -0.134   8.336
   26    HG   SER   6           HG       SER   6 -13.070  -1.430   7.297
   27    H    GLY   7           H        GLY   7 -10.278   0.214  10.233
   28    HA2  GLY   7           1HA      GLY   7  -8.598  -1.209  11.540
   29    HA3  GLY   7           2HA      GLY   7  -9.129  -2.491  10.462
   30    H    HIS   8           H        HIS   8  -8.783  -2.166   8.141
   31    HA   HIS   8           HA       HIS   8  -6.135  -1.200   7.650
   32    HB2  HIS   8           1HB      HIS   8  -8.232  -2.239   5.732
   33    HB3  HIS   8           2HB      HIS   8  -6.545  -1.943   5.325
   34    HD2  HIS   8           HD2      HIS   8  -5.078  -4.198   5.476
   35    HE1  HIS   8           HE1      HIS   8  -7.437  -6.277   8.324
   36    HE2  HIS   8           HE2      HIS   8  -5.365  -6.343   6.893
   37    H    GLU   9           H        GLU   9  -5.554   0.355   5.999
   38    HA   GLU   9           HA       GLU   9  -6.913   2.805   6.288
   39    HB2  GLU   9           1HB      GLU   9  -4.944   2.094   4.112
   40    HB3  GLU   9           2HB      GLU   9  -5.322   3.700   4.720
   41    HG2  GLU   9           1HG      GLU   9  -4.018   1.511   6.321
   42    HG3  GLU   9           2HG      GLU   9  -3.168   2.840   5.535
   43    H    ASP  10           H        ASP  10  -7.072   4.010   3.867
   44    HA   ASP  10           HA       ASP  10  -8.655   2.430   2.041
   45    HB2  ASP  10           1HB      ASP  10  -9.970   3.779   4.135
   46    HB3  ASP  10           2HB      ASP  10 -10.245   4.746   2.688
   47    H    PHE  11           H        PHE  11  -6.217   4.137   2.105
   48    HA   PHE  11           HA       PHE  11  -6.858   5.705  -0.266
   49    HB2  PHE  11           1HB      PHE  11  -5.304   6.954   2.001
   50    HB3  PHE  11           2HB      PHE  11  -5.873   7.733   0.529
   51    HD1  PHE  11           HD1      PHE  11  -8.306   8.139   0.217
   52    HD2  PHE  11           HD2      PHE  11  -6.685   6.762   3.904
   53    HE1  PHE  11           HE1      PHE  11 -10.365   8.827   1.375
   54    HE2  PHE  11           HE2      PHE  11  -8.742   7.446   5.067
   55    HZ   PHE  11           HZ       PHE  11 -10.586   8.480   3.803
   56    H    CYS  12           H        CYS  12  -5.204   5.832  -1.722
   57    HA   CYS  12           HA       CYS  12  -3.214   3.920  -1.736
   58    HB2  CYS  12           1HB      CYS  12  -4.015   5.219  -3.716
   59    HB3  CYS  12           2HB      CYS  12  -3.080   6.595  -3.141
   60    H    SER  13           H        SER  13  -1.129   3.792  -1.072
   61    HA   SER  13           HA       SER  13  -0.225   5.864   0.779
   62    HB2  SER  13           1HB      SER  13  -0.196   3.126   0.966
   63    HB3  SER  13           2HB      SER  13   1.459   3.474   0.467
   64    HG   SER  13           HG       SER  13   1.568   4.953   2.235
   65    H    VAL  14           H        VAL  14  -0.135   6.503  -1.971
   66    HA   VAL  14           HA       VAL  14   2.706   7.068  -2.224
   67    HB   VAL  14           HB       VAL  14   1.177   5.692  -4.437
   68   HG11  VAL  14          1HG1      VAL  14   3.702   7.228  -4.375
   69   HG12  VAL  14          2HG1      VAL  14   3.713   5.725  -5.299
   70   HG13  VAL  14          3HG1      VAL  14   2.548   6.991  -5.687
   71   HG21  VAL  14          3HG2      VAL  14   1.880   4.137  -2.707
   72   HG22  VAL  14          1HG2      VAL  14   2.847   3.909  -4.164
   73   HG23  VAL  14          2HG2      VAL  14   3.525   4.768  -2.781
   74    H    CYS  15           H        CYS  15  -0.513   7.394  -3.686
   75    HA   CYS  15           HA       CYS  15   0.195  10.156  -4.432
   76    HB2  CYS  15           1HB      CYS  15  -1.410  10.010  -6.238
   77    HB3  CYS  15           2HB      CYS  15  -0.289   8.658  -6.357
   78    H    ARG  16           H        ARG  16  -1.950   8.114  -2.674
   79    HA   ARG  16           HA       ARG  16  -3.637   8.543  -1.210
   80    HB2  ARG  16           1HB      ARG  16  -2.869  11.454  -1.424
   81    HB3  ARG  16           2HB      ARG  16  -3.693  10.656  -0.091
   82    HG2  ARG  16           1HG      ARG  16  -1.700   9.435   0.477
   83    HG3  ARG  16           2HG      ARG  16  -0.864  10.077  -0.938
   84    HD2  ARG  16           1HD      ARG  16  -0.159  11.310   0.998
   85    HD3  ARG  16           2HD      ARG  16  -1.156  12.359  -0.008
   86    HE   ARG  16           HE       ARG  16  -2.780  11.115   1.917
   87   HH11  ARG  16          1HH1      ARG  16  -0.264  13.508   1.668
   88   HH12  ARG  16          2HH1      ARG  16  -0.791  14.396   3.059
   89   HH21  ARG  16          1HH2      ARG  16  -3.483  12.275   3.750
   90   HH22  ARG  16          2HH2      ARG  16  -2.622  13.693   4.243
   91    H    LYS  17           H        LYS  17  -5.060   7.938  -2.986
   92    HA   LYS  17           HA       LYS  17  -6.882  10.128  -3.644
   93    HB2  LYS  17           1HB      LYS  17  -5.297   8.550  -5.571
   94    HB3  LYS  17           2HB      LYS  17  -7.004   8.716  -5.961
   95    HG2  LYS  17           1HG      LYS  17  -5.368  11.115  -5.247
   96    HG3  LYS  17           2HG      LYS  17  -5.330  10.446  -6.880
   97    HD2  LYS  17           1HD      LYS  17  -7.926  10.551  -6.686
   98    HD3  LYS  17           2HD      LYS  17  -7.599  11.713  -5.398
   99    HE2  LYS  17           1HE      LYS  17  -6.289  11.996  -8.075
  100    HE3  LYS  17           2HE      LYS  17  -7.939  12.564  -7.824
  101    HZ1  LYS  17           3HZ      LYS  17  -6.364  14.340  -7.460
  102    HZ2  LYS  17           1HZ      LYS  17  -5.545  13.429  -6.293
  103    HZ3  LYS  17           2HZ      LYS  17  -7.128  13.950  -6.002
  104    H    SER  18           H        SER  18  -8.930   9.582  -3.269
  105    HA   SER  18           HA       SER  18  -9.689   7.164  -2.138
  106    HB2  SER  18           1HB      SER  18 -11.012   9.590  -3.025
  107    HB3  SER  18           2HB      SER  18 -12.013   8.169  -3.325
  108    HG   SER  18           HG       SER  18 -11.538   7.607  -1.070
  109    H    GLY  19           H        GLY  19 -11.623   5.846  -3.127
  110    HA2  GLY  19           1HA      GLY  19 -12.525   4.940  -5.211
  111    HA3  GLY  19           2HA      GLY  19 -10.928   5.153  -5.913
  112    H    GLN  20           H        GLN  20 -11.385   2.841  -6.488
  113    HA   GLN  20           HA       GLN  20 -11.335   0.863  -4.435
  114    HB2  GLN  20           1HB      GLN  20 -10.950  -0.723  -6.312
  115    HB3  GLN  20           2HB      GLN  20 -12.338   0.328  -6.559
  116    HG2  GLN  20           1HG      GLN  20 -11.504   1.065  -8.467
  117    HG3  GLN  20           2HG      GLN  20 -10.006   1.548  -7.674
  118   HE21  GLN  20          1HE2      GLN  20  -8.275   0.080  -7.598
  119   HE22  GLN  20          2HE2      GLN  20  -8.171  -1.247  -8.699
  120    H    LEU  21           H        LEU  21  -9.658  -0.019  -3.406
  121    HA   LEU  21           HA       LEU  21  -6.962   0.370  -4.519
  122    HB2  LEU  21           1HB      LEU  21  -8.049   1.207  -1.926
  123    HB3  LEU  21           2HB      LEU  21  -6.515   0.345  -1.832
  124    HG   LEU  21           HG       LEU  21  -6.696   2.579  -3.775
  125   HD11  LEU  21          1HD1      LEU  21  -6.097   3.292  -0.953
  126   HD12  LEU  21          2HD1      LEU  21  -7.785   3.178  -1.449
  127   HD13  LEU  21          3HD1      LEU  21  -6.698   4.296  -2.273
  128   HD21  LEU  21          3HD2      LEU  21  -4.451   2.579  -3.588
  129   HD22  LEU  21          1HD2      LEU  21  -4.706   0.954  -2.952
  130   HD23  LEU  21          2HD2      LEU  21  -4.488   2.309  -1.845
  131    H    LEU  22           H        LEU  22  -5.394  -1.207  -3.880
  132    HA   LEU  22           HA       LEU  22  -6.547  -3.837  -3.583
  133    HB2  LEU  22           1HB      LEU  22  -4.538  -3.060  -5.060
  134    HB3  LEU  22           2HB      LEU  22  -3.608  -3.304  -3.583
  135    HG   LEU  22           HG       LEU  22  -4.332  -5.660  -3.545
  136   HD11  LEU  22          1HD1      LEU  22  -5.799  -4.812  -6.013
  137   HD12  LEU  22          2HD1      LEU  22  -6.381  -5.741  -4.632
  138   HD13  LEU  22          3HD1      LEU  22  -5.281  -6.484  -5.794
  139   HD21  LEU  22          3HD2      LEU  22  -2.502  -6.138  -4.710
  140   HD22  LEU  22          1HD2      LEU  22  -2.454  -4.449  -5.216
  141   HD23  LEU  22          2HD2      LEU  22  -3.267  -5.647  -6.223
  142    H    MET  23           H        MET  23  -5.906  -5.370  -1.976
  143    HA   MET  23           HA       MET  23  -5.009  -4.124   0.540
  144    HB2  MET  23           1HB      MET  23  -6.956  -6.418   0.244
  145    HB3  MET  23           2HB      MET  23  -6.458  -5.662   1.751
  146    HG2  MET  23           1HG      MET  23  -7.457  -3.534   0.937
  147    HG3  MET  23           2HG      MET  23  -8.078  -4.419  -0.455
  148    HE1  MET  23           3HE      MET  23 -10.759  -3.157   1.596
  149    HE2  MET  23           1HE      MET  23 -10.003  -3.424   3.167
  150    HE3  MET  23           2HE      MET  23  -9.097  -2.636   1.876
  151    H    CYS  24           H        CYS  24  -3.527  -5.213   1.779
  152    HA   CYS  24           HA       CYS  24  -2.073  -7.335   0.425
  153    HB2  CYS  24           1HB      CYS  24  -0.821  -5.449   1.379
  154    HB3  CYS  24           2HB      CYS  24  -1.446  -5.838   2.978
  155    H    ASP  25           H        ASP  25  -1.694  -9.374   1.262
  156    HA   ASP  25           HA       ASP  25  -3.669 -10.274   3.220
  157    HB2  ASP  25           1HB      ASP  25  -3.017 -11.356   0.853
  158    HB3  ASP  25           2HB      ASP  25  -1.865 -12.213   1.873
  159    H    THR  26           H        THR  26  -1.587  -8.768   4.291
  160    HA   THR  26           HA       THR  26  -0.526 -10.647   6.200
  161    HB   THR  26           HB       THR  26   1.730  -9.064   5.369
  162    HG1  THR  26           HG1      THR  26   2.024 -10.053   3.314
  163   HG21  THR  26          3HG2      THR  26   2.885 -11.062   5.611
  164   HG22  THR  26          1HG2      THR  26   1.516 -12.037   5.078
  165   HG23  THR  26          2HG2      THR  26   1.504 -11.300   6.681
  166    H    CYS  27           H        CYS  27   0.344  -7.378   5.061
  167    HA   CYS  27           HA       CYS  27   0.217  -6.405   7.800
  168    HB2  CYS  27           1HB      CYS  27   1.246  -4.386   6.951
  169    HB3  CYS  27           2HB      CYS  27   2.114  -5.781   6.317
  170    H    SER  28           H        SER  28  -0.535  -3.811   7.523
  171    HA   SER  28           HA       SER  28  -3.320  -4.002   6.576
  172    HB2  SER  28           1HB      SER  28  -2.181  -2.781   9.078
  173    HB3  SER  28           2HB      SER  28  -3.723  -2.227   8.426
  174    HG   SER  28           HG       SER  28  -3.303  -4.318   9.950
  175    H    ARG  29           H        ARG  29  -1.790  -3.200   4.659
  176    HA   ARG  29           HA       ARG  29  -2.120  -0.281   4.587
  177    HB2  ARG  29           1HB      ARG  29   0.232  -1.777   3.417
  178    HB3  ARG  29           2HB      ARG  29  -0.031  -0.039   3.365
  179    HG2  ARG  29           1HG      ARG  29  -0.067  -1.118   6.069
  180    HG3  ARG  29           2HG      ARG  29   1.460  -1.388   5.226
  181    HD2  ARG  29           1HD      ARG  29   1.228   1.121   4.573
  182    HD3  ARG  29           2HD      ARG  29   0.111   1.185   5.936
  183    HE   ARG  29           HE       ARG  29   2.944   1.074   6.067
  184   HH11  ARG  29          1HH1      ARG  29   0.055  -0.018   7.674
  185   HH12  ARG  29          2HH1      ARG  29   0.809  -0.139   9.229
  186   HH21  ARG  29          1HH2      ARG  29   3.948   0.919   8.110
  187   HH22  ARG  29          2HH2      ARG  29   3.023   0.395   9.476
  188    H    VAL  30           H        VAL  30  -2.543   0.608   2.519
  189    HA   VAL  30           HA       VAL  30  -3.478  -1.373   0.544
  190    HB   VAL  30           HB       VAL  30  -5.121   0.338  -0.192
  191   HG11  VAL  30          1HG1      VAL  30  -6.038  -1.309   1.179
  192   HG12  VAL  30          2HG1      VAL  30  -5.184  -0.728   2.610
  193   HG13  VAL  30          3HG1      VAL  30  -6.535   0.197   1.952
  194   HG21  VAL  30          3HG2      VAL  30  -3.971   2.331   0.594
  195   HG22  VAL  30          1HG2      VAL  30  -5.591   2.242   1.287
  196   HG23  VAL  30          2HG2      VAL  30  -4.188   1.818   2.268
  197    H    TYR  31           H        TYR  31  -3.152  -0.945  -1.649
  198    HA   TYR  31           HA       TYR  31  -1.627   1.413  -2.410
  199    HB2  TYR  31           1HB      TYR  31  -0.563  -1.365  -2.955
  200    HB3  TYR  31           2HB      TYR  31   0.182   0.157  -3.430
  201    HD1  TYR  31           HD2      TYR  31   1.133   1.658  -1.677
  202    HD2  TYR  31           HD1      TYR  31  -0.250  -2.264  -0.777
  203    HE1  TYR  31           HE2      TYR  31   2.390   1.706   0.436
  204    HE2  TYR  31           HE1      TYR  31   1.002  -2.226   1.340
  205    HH   TYR  31           HH       TYR  31   2.066   0.396   2.799
  206    H    HIS  32           H        HIS  32  -2.097   2.082  -4.424
  207    HA   HIS  32           HA       HIS  32  -4.273   1.044  -5.824
  208    HB2  HIS  32           1HB      HIS  32  -2.131   3.025  -6.436
  209    HB3  HIS  32           2HB      HIS  32  -3.112   2.436  -7.774
  210    HD2  HIS  32           HD2      HIS  32  -5.890   2.418  -5.704
  211    HE1  HIS  32           HE1      HIS  32  -5.264   6.602  -6.023
  212    HE2  HIS  32           HE2      HIS  32  -6.861   4.785  -5.323
  213    H    LEU  33           H        LEU  33  -3.924   0.627  -8.361
  214    HA   LEU  33           HA       LEU  33  -2.388  -1.844  -8.471
  215    HB2  LEU  33           1HB      LEU  33  -4.608  -0.644 -10.033
  216    HB3  LEU  33           2HB      LEU  33  -3.544  -1.779 -10.861
  217    HG   LEU  33           HG       LEU  33  -5.131  -2.381  -8.365
  218   HD11  LEU  33          1HD1      LEU  33  -6.055  -2.153 -10.965
  219   HD12  LEU  33          2HD1      LEU  33  -6.839  -3.012  -9.640
  220   HD13  LEU  33          3HD1      LEU  33  -5.784  -3.883 -10.752
  221   HD21  LEU  33          3HD2      LEU  33  -3.079  -3.851  -9.915
  222   HD22  LEU  33          1HD2      LEU  33  -4.474  -4.769  -9.348
  223   HD23  LEU  33          2HD2      LEU  33  -3.458  -3.905  -8.193
  224    H    ASP  34           H        ASP  34  -2.302   1.397  -9.685
  225    HA   ASP  34           HA       ASP  34  -0.164   0.714 -11.573
  226    HB2  ASP  34           1HB      ASP  34  -1.692   3.300 -11.204
  227    HB3  ASP  34           2HB      ASP  34  -0.461   3.011 -12.430
  228    H    CYS  35           H        CYS  35  -0.721   2.100  -8.492
  229    HA   CYS  35           HA       CYS  35   1.896   3.413  -8.458
  230    HB2  CYS  35           1HB      CYS  35  -0.176   3.407  -6.262
  231    HB3  CYS  35           2HB      CYS  35   1.190   4.502  -6.449
  232    H    LEU  36           H        LEU  36   2.471   0.909  -8.671
  233    HA   LEU  36           HA       LEU  36   3.013  -0.046  -5.937
  234    HB2  LEU  36           1HB      LEU  36   2.287  -1.545  -8.426
  235    HB3  LEU  36           2HB      LEU  36   3.195  -2.331  -7.136
  236    HG   LEU  36           HG       LEU  36   0.439  -1.126  -6.880
  237   HD11  LEU  36          1HD1      LEU  36   1.356  -3.696  -7.772
  238   HD12  LEU  36          2HD1      LEU  36  -0.286  -3.062  -7.679
  239   HD13  LEU  36          3HD1      LEU  36   0.432  -3.858  -6.279
  240   HD21  LEU  36          3HD2      LEU  36   0.549  -2.410  -4.671
  241   HD22  LEU  36          1HD2      LEU  36   1.434  -0.888  -4.775
  242   HD23  LEU  36          2HD2      LEU  36   2.297  -2.420  -4.909
  243    H    ASP  37           H        ASP  37   4.877  -1.854  -6.199
  244    HA   ASP  37           HA       ASP  37   6.955  -0.966  -8.027
  245    HB2  ASP  37           1HB      ASP  37   7.429   0.522  -6.237
  246    HB3  ASP  37           2HB      ASP  37   7.172  -0.734  -5.029
  247    HA   PRO  38           HA       PRO  38   7.520  -1.897  -9.562
  248    HB2  PRO  38           1HB      PRO  38   6.722  -3.805 -11.321
  249    HB3  PRO  38           2HB      PRO  38   8.398  -3.632 -10.786
  250    HG2  PRO  38           1HG      PRO  38   6.294  -5.538  -9.837
  251    HG3  PRO  38           2HG      PRO  38   8.007  -5.843 -10.184
  252    HD2  PRO  38           1HD      PRO  38   7.068  -5.502  -7.667
  253    HD3  PRO  38           2HD      PRO  38   8.698  -4.996  -8.155
  254    HA   PRO  39           HA       PRO  39   3.268  -0.872 -10.007
  255    HB2  PRO  39           1HB      PRO  39   3.061  -0.282 -12.649
  256    HB3  PRO  39           2HB      PRO  39   3.903   0.759 -11.496
  257    HG2  PRO  39           1HG      PRO  39   5.030  -1.244 -13.412
  258    HG3  PRO  39           2HG      PRO  39   5.612   0.386 -13.027
  259    HD2  PRO  39           1HD      PRO  39   6.728  -1.845 -11.975
  260    HD3  PRO  39           2HD      PRO  39   6.655  -0.307 -11.092
  261    H    LEU  40           H        LEU  40   1.232  -1.593 -10.734
  262    HA   LEU  40           HA       LEU  40   1.273  -4.190 -12.125
  263    HB2  LEU  40           1HB      LEU  40  -0.020  -3.316  -9.644
  264    HB3  LEU  40           2HB      LEU  40  -1.080  -4.192 -10.747
  265    HG   LEU  40           HG       LEU  40   1.522  -5.212  -9.608
  266   HD11  LEU  40          1HD1      LEU  40  -0.827  -6.740  -8.979
  267   HD12  LEU  40          2HD1      LEU  40  -1.018  -5.070  -8.448
  268   HD13  LEU  40          3HD1      LEU  40   0.364  -6.018  -7.898
  269   HD21  LEU  40          3HD2      LEU  40   0.427  -7.392 -10.582
  270   HD22  LEU  40          1HD2      LEU  40   1.401  -6.333 -11.603
  271   HD23  LEU  40          2HD2      LEU  40  -0.359  -6.249 -11.672
  272    H    LYS  41           H        LYS  41  -1.150  -4.681 -12.855
  273    HA   LYS  41           HA       LYS  41  -2.327  -2.279 -14.052
  274    HB2  LYS  41           1HB      LYS  41  -0.815  -3.233 -15.737
  275    HB3  LYS  41           2HB      LYS  41  -1.625  -4.787 -15.591
  276    HG2  LYS  41           1HG      LYS  41  -3.642  -3.901 -16.515
  277    HG3  LYS  41           2HG      LYS  41  -2.997  -2.259 -16.476
  278    HD2  LYS  41           1HD      LYS  41  -1.215  -3.002 -18.059
  279    HD3  LYS  41           2HD      LYS  41  -2.044  -4.555 -18.184
  280    HE2  LYS  41           1HE      LYS  41  -4.064  -3.370 -18.972
  281    HE3  LYS  41           2HE      LYS  41  -3.167  -1.853 -18.919
  282    HZ1  LYS  41           3HZ      LYS  41  -1.558  -2.951 -20.492
  283    HZ2  LYS  41           1HZ      LYS  41  -3.081  -2.589 -21.133
  284    HZ3  LYS  41           2HZ      LYS  41  -2.705  -4.178 -20.693
  285    H    THR  42           H        THR  42  -2.837  -5.786 -14.408
  286    HA   THR  42           HA       THR  42  -5.675  -5.389 -13.855
  287    HB   THR  42           HB       THR  42  -6.047  -7.579 -14.736
  288    HG1  THR  42           HG1      THR  42  -4.008  -8.741 -15.455
  289   HG21  THR  42          3HG2      THR  42  -5.441  -5.688 -16.329
  290   HG22  THR  42          1HG2      THR  42  -5.307  -7.326 -16.966
  291   HG23  THR  42          2HG2      THR  42  -3.858  -6.452 -16.469
  292    H    ILE  43           H        ILE  43  -6.486  -7.733 -12.816
  293    HA   ILE  43           HA       ILE  43  -5.758  -7.484 -10.071
  294    HB   ILE  43           HB       ILE  43  -7.406  -9.634 -11.409
  295   HG12  ILE  43          1HG1      ILE  43  -8.351  -7.169  -9.936
  296   HG13  ILE  43          2HG1      ILE  43  -8.224  -7.267 -11.689
  297   HG21  ILE  43          1HG2      ILE  43  -7.562 -10.614  -9.426
  298   HG22  ILE  43          2HG2      ILE  43  -6.405  -9.451  -8.779
  299   HG23  ILE  43          3HG2      ILE  43  -8.134  -9.111  -8.701
  300   HD11  ILE  43          3HD1      ILE  43 -10.412  -7.937 -10.132
  301   HD12  ILE  43          1HD1      ILE  43 -10.178  -8.295 -11.842
  302   HD13  ILE  43          2HD1      ILE  43  -9.725  -9.485 -10.622
  303    HA   PRO  44           HA       PRO  44  -2.235 -10.230 -10.407
  304    HB2  PRO  44           1HB      PRO  44  -1.435  -9.913  -7.832
  305    HB3  PRO  44           2HB      PRO  44  -1.109  -8.718  -9.093
  306    HG2  PRO  44           1HG      PRO  44  -3.256  -8.732  -7.008
  307    HG3  PRO  44           2HG      PRO  44  -2.240  -7.388  -7.557
  308    HD2  PRO  44           1HD      PRO  44  -4.789  -7.727  -8.404
  309    HD3  PRO  44           2HD      PRO  44  -3.529  -7.014  -9.431
  310    H    LYS  45           H        LYS  45  -3.590 -12.106 -10.662
  311    HA   LYS  45           HA       LYS  45  -5.052 -13.394  -8.708
  312    HB2  LYS  45           1HB      LYS  45  -3.876 -14.093 -11.266
  313    HB3  LYS  45           2HB      LYS  45  -3.842 -15.455 -10.154
  314    HG2  LYS  45           1HG      LYS  45  -6.402 -14.170 -10.041
  315    HG3  LYS  45           2HG      LYS  45  -5.990 -14.561 -11.712
  316    HD2  LYS  45           1HD      LYS  45  -5.336 -16.875 -10.771
  317    HD3  LYS  45           2HD      LYS  45  -6.281 -16.397  -9.359
  318    HE2  LYS  45           1HE      LYS  45  -7.317 -16.405 -12.191
  319    HE3  LYS  45           2HE      LYS  45  -7.564 -17.714 -11.035
  320    HZ1  LYS  45           3HZ      LYS  45  -8.585 -14.937 -10.864
  321    HZ2  LYS  45           1HZ      LYS  45  -8.625 -16.014  -9.560
  322    HZ3  LYS  45           2HZ      LYS  45  -9.484 -16.366 -10.975
  323    H    GLY  46           H        GLY  46  -4.524 -15.416  -7.535
  324    HA2  GLY  46           1HA      GLY  46  -3.213 -16.686  -6.125
  325    HA3  GLY  46           2HA      GLY  46  -1.797 -16.036  -6.937
  326    H    MET  47           H        MET  47  -1.919 -16.483  -4.173
  327    HA   MET  47           HA       MET  47  -2.649 -14.360  -2.568
  328    HB2  MET  47           1HB      MET  47  -1.774 -16.555  -1.774
  329    HB3  MET  47           2HB      MET  47  -0.158 -16.041  -2.240
  330    HG2  MET  47           1HG      MET  47  -0.085 -14.387  -0.580
  331    HG3  MET  47           2HG      MET  47  -1.824 -14.470  -0.307
  332    HE1  MET  47           3HE      MET  47   0.518 -15.194   2.555
  333    HE2  MET  47           1HE      MET  47   1.535 -16.330   1.669
  334    HE3  MET  47           2HE      MET  47   1.168 -14.750   0.976
  335    H    TRP  48           H        TRP  48  -2.257 -12.299  -3.136
  336    HA   TRP  48           HA       TRP  48   0.372 -11.536  -4.137
  337    HB2  TRP  48           1HB      TRP  48  -1.658 -10.664  -5.251
  338    HB3  TRP  48           2HB      TRP  48  -2.117  -9.858  -3.753
  339    HD1  TRP  48           HD1      TRP  48   0.482  -9.660  -6.574
  340    HE1  TRP  48           HE1      TRP  48   1.513  -7.302  -6.566
  341    HE3  TRP  48           HE3      TRP  48  -1.662  -7.852  -2.300
  342    HZ2  TRP  48           HZ2      TRP  48   1.429  -4.982  -4.960
  343    HZ3  TRP  48           HZ3      TRP  48  -1.134  -5.554  -1.597
  344    HH2  TRP  48           HH2      TRP  48   0.380  -4.151  -2.900
  345    H    ILE  49           H        ILE  49   1.715 -10.032  -3.138
  346    HA   ILE  49           HA       ILE  49   1.001  -9.159  -0.436
  347    HB   ILE  49           HB       ILE  49   3.585 -10.576  -1.098
  348   HG12  ILE  49          1HG1      ILE  49   1.280 -11.387   0.688
  349   HG13  ILE  49          2HG1      ILE  49   1.679 -12.109  -0.867
  350   HG21  ILE  49          1HG2      ILE  49   4.472  -9.568   0.666
  351   HG22  ILE  49          2HG2      ILE  49   2.982  -8.655   0.898
  352   HG23  ILE  49          3HG2      ILE  49   3.190 -10.217   1.689
  353   HD11  ILE  49          3HD1      ILE  49   3.071 -13.515   0.111
  354   HD12  ILE  49          1HD1      ILE  49   3.977 -12.180   0.823
  355   HD13  ILE  49          2HD1      ILE  49   2.590 -12.859   1.676
  356    H    CYS  50           H        CYS  50   1.454  -7.080  -0.155
  357    HA   CYS  50           HA       CYS  50   2.493  -5.413  -2.095
  358    HB2  CYS  50           1HB      CYS  50   2.542  -3.692  -0.443
  359    HB3  CYS  50           2HB      CYS  50   1.186  -4.740  -0.042
  360    HA   PRO  51           HA       PRO  51   6.862  -5.829  -2.034
  361    HB2  PRO  51           1HB      PRO  51   7.635  -3.291  -2.612
  362    HB3  PRO  51           2HB      PRO  51   6.904  -4.369  -3.807
  363    HG2  PRO  51           1HG      PRO  51   5.638  -2.180  -2.204
  364    HG3  PRO  51           2HG      PRO  51   5.427  -2.576  -3.920
  365    HD2  PRO  51           1HD      PRO  51   3.634  -3.303  -2.026
  366    HD3  PRO  51           2HD      PRO  51   3.944  -4.283  -3.473
  367    H    ARG  52           H        ARG  52   5.239  -3.799   0.188
  368    HA   ARG  52           HA       ARG  52   7.569  -2.884   1.598
  369    HB2  ARG  52           1HB      ARG  52   4.725  -2.416   1.686
  370    HB3  ARG  52           2HB      ARG  52   5.339  -2.729   3.304
  371    HG2  ARG  52           1HG      ARG  52   6.805  -0.806   1.574
  372    HG3  ARG  52           2HG      ARG  52   5.282  -0.302   2.310
  373    HD2  ARG  52           1HD      ARG  52   6.166  -0.930   4.518
  374    HD3  ARG  52           2HD      ARG  52   7.695  -1.381   3.765
  375    HE   ARG  52           HE       ARG  52   7.016   1.290   3.117
  376   HH11  ARG  52          1HH1      ARG  52   8.203  -0.686   5.726
  377   HH12  ARG  52          2HH1      ARG  52   9.072   0.607   6.484
  378   HH21  ARG  52          1HH2      ARG  52   8.156   3.001   4.105
  379   HH22  ARG  52          2HH2      ARG  52   9.044   2.704   5.562
  380    H    CYS  53           H        CYS  53   5.548  -5.684   1.659
  381    HA   CYS  53           HA       CYS  53   6.399  -6.512   4.303
  382    HB2  CYS  53           1HB      CYS  53   4.558  -7.616   2.216
  383    HB3  CYS  53           2HB      CYS  53   5.168  -8.686   3.474
  384    H    GLN  54           H        GLN  54   6.762  -7.759   0.983
  385    HA   GLN  54           HA       GLN  54   8.457  -9.874   1.499
  386    HB2  GLN  54           1HB      GLN  54   8.360  -8.026  -0.887
  387    HB3  GLN  54           2HB      GLN  54   9.311  -9.505  -0.842
  388    HG2  GLN  54           1HG      GLN  54   6.572  -9.981  -0.058
  389    HG3  GLN  54           2HG      GLN  54   6.678  -9.238  -1.654
  390   HE21  GLN  54          1HE2      GLN  54   6.433 -10.795  -3.091
  391   HE22  GLN  54          2HE2      GLN  54   7.260 -12.312  -3.093
  392    H    ASP  55           H        ASP  55   9.163  -6.459   1.397
  393    HA   ASP  55           HA       ASP  55  12.013  -6.772   1.330
  394    HB2  ASP  55           1HB      ASP  55  10.098  -4.557   1.389
  395    HB3  ASP  55           2HB      ASP  55  11.557  -4.243   2.324
  396    H    GLN  56           H        GLN  56  13.412  -6.956   2.979
  397    HA   GLN  56           HA       GLN  56  14.168  -7.417   5.078
  398    HB2  GLN  56           1HB      GLN  56  12.708  -4.907   5.195
  399    HB3  GLN  56           2HB      GLN  56  12.708  -5.733   6.747
  400    HG2  GLN  56           1HG      GLN  56  14.763  -5.031   7.135
  401    HG3  GLN  56           2HG      GLN  56  15.334  -5.863   5.689
  402   HE21  GLN  56          1HE2      GLN  56  16.339  -4.617   4.300
  403   HE22  GLN  56          2HE2      GLN  56  16.070  -2.929   4.055
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -3.373   9.131  19.507
    2    HA2  GLY   1           1HA      GLY   1  -1.345   8.308  17.547
    3    HA3  GLY   1           2HA      GLY   1  -2.015   7.295  18.817
    4    H    SER   2           H        SER   2  -3.096   5.667  17.941
    5    HA   SER   2           HA       SER   2  -5.313   6.168  16.187
    6    HB2  SER   2           1HB      SER   2  -4.357   4.431  14.489
    7    HB3  SER   2           2HB      SER   2  -3.834   6.112  14.384
    8    HG   SER   2           HG       SER   2  -2.328   3.974  14.704
    9    H    SER   3           H        SER   3  -6.738   5.056  17.377
   10    HA   SER   3           HA       SER   3  -6.606   2.204  17.437
   11    HB2  SER   3           1HB      SER   3  -6.494   1.844  19.807
   12    HB3  SER   3           2HB      SER   3  -5.120   2.858  19.370
   13    HG   SER   3           HG       SER   3  -6.175   3.667  21.212
   14    H    GLY   4           H        GLY   4  -8.580   1.238  18.060
   15    HA2  GLY   4           1HA      GLY   4 -10.810   1.313  18.889
   16    HA3  GLY   4           2HA      GLY   4 -10.773   3.064  18.748
   17    H    SER   5           H        SER   5 -10.000   0.518  16.390
   18    HA   SER   5           HA       SER   5 -12.374   1.069  14.851
   19    HB2  SER   5           1HB      SER   5 -11.061   1.703  12.795
   20    HB3  SER   5           2HB      SER   5 -11.067   2.925  14.066
   21    HG   SER   5           HG       SER   5  -8.974   2.781  13.570
   22    H    SER   6           H        SER   6 -12.663  -0.397  13.085
   23    HA   SER   6           HA       SER   6 -10.894  -2.751  13.215
   24    HB2  SER   6           1HB      SER   6 -13.900  -2.667  12.875
   25    HB3  SER   6           2HB      SER   6 -12.920  -4.123  12.701
   26    HG   SER   6           HG       SER   6 -12.327  -3.938  14.861
   27    H    GLY   7           H        GLY   7  -9.661  -2.357  11.425
   28    HA2  GLY   7           1HA      GLY   7 -10.105  -3.246   8.996
   29    HA3  GLY   7           2HA      GLY   7 -11.010  -1.742   8.898
   30    H    HIS   8           H        HIS   8  -8.848  -2.352   7.224
   31    HA   HIS   8           HA       HIS   8  -6.534  -0.924   8.231
   32    HB2  HIS   8           1HB      HIS   8  -7.008  -1.980   5.439
   33    HB3  HIS   8           2HB      HIS   8  -5.465  -1.527   6.158
   34    HD2  HIS   8           HD2      HIS   8  -5.973  -4.594   5.046
   35    HE1  HIS   8           HE1      HIS   8  -6.006  -5.591   9.170
   36    HE2  HIS   8           HE2      HIS   8  -5.681  -6.449   6.825
   37    H    GLU   9           H        GLU   9  -5.586   0.472   6.131
   38    HA   GLU   9           HA       GLU   9  -7.027   2.888   6.263
   39    HB2  GLU   9           1HB      GLU   9  -4.989   2.198   4.150
   40    HB3  GLU   9           2HB      GLU   9  -5.386   3.787   4.789
   41    HG2  GLU   9           1HG      GLU   9  -4.526   2.978   7.014
   42    HG3  GLU   9           2HG      GLU   9  -3.909   1.563   6.162
   43    H    ASP  10           H        ASP  10  -7.180   4.014   3.833
   44    HA   ASP  10           HA       ASP  10  -8.610   2.311   1.987
   45    HB2  ASP  10           1HB      ASP  10 -10.024   4.509   3.506
   46    HB3  ASP  10           2HB      ASP  10 -10.662   3.758   2.046
   47    H    PHE  11           H        PHE  11  -6.248   4.077   2.040
   48    HA   PHE  11           HA       PHE  11  -6.897   5.599  -0.358
   49    HB2  PHE  11           1HB      PHE  11  -5.389   6.910   1.904
   50    HB3  PHE  11           2HB      PHE  11  -5.964   7.657   0.418
   51    HD1  PHE  11           HD1      PHE  11  -8.397   8.020   0.087
   52    HD2  PHE  11           HD2      PHE  11  -6.784   6.700   3.798
   53    HE1  PHE  11           HE1      PHE  11 -10.479   8.678   1.222
   54    HE2  PHE  11           HE2      PHE  11  -8.863   7.355   4.938
   55    HZ   PHE  11           HZ       PHE  11 -10.714   8.345   3.650
   56    H    CYS  12           H        CYS  12  -5.229   5.749  -1.799
   57    HA   CYS  12           HA       CYS  12  -3.203   3.875  -1.774
   58    HB2  CYS  12           1HB      CYS  12  -3.999   5.123  -3.779
   59    HB3  CYS  12           2HB      CYS  12  -3.125   6.539  -3.204
   60    H    SER  13           H        SER  13  -1.126   3.792  -1.083
   61    HA   SER  13           HA       SER  13  -0.280   5.898   0.757
   62    HB2  SER  13           1HB      SER  13  -0.205   3.168   0.978
   63    HB3  SER  13           2HB      SER  13   1.447   3.532   0.478
   64    HG   SER  13           HG       SER  13   1.570   4.995   2.230
   65    H    VAL  14           H        VAL  14  -0.172   6.533  -1.985
   66    HA   VAL  14           HA       VAL  14   2.663   7.134  -2.220
   67    HB   VAL  14           HB       VAL  14   1.165   5.741  -4.444
   68   HG11  VAL  14          1HG1      VAL  14   2.530   7.063  -5.679
   69   HG12  VAL  14          2HG1      VAL  14   3.680   7.296  -4.362
   70   HG13  VAL  14          3HG1      VAL  14   3.698   5.800  -5.295
   71   HG21  VAL  14          3HG2      VAL  14   2.869   3.981  -4.159
   72   HG22  VAL  14          1HG2      VAL  14   3.499   4.845  -2.756
   73   HG23  VAL  14          2HG2      VAL  14   1.864   4.183  -2.724
   74    H    CYS  15           H        CYS  15  -0.543   7.414  -3.722
   75    HA   CYS  15           HA       CYS  15   0.130  10.191  -4.445
   76    HB2  CYS  15           1HB      CYS  15  -1.471  10.021  -6.268
   77    HB3  CYS  15           2HB      CYS  15  -0.288   8.724  -6.393
   78    H    ARG  16           H        ARG  16  -2.036   8.095  -2.763
   79    HA   ARG  16           HA       ARG  16  -3.760   8.485  -1.332
   80    HB2  ARG  16           1HB      ARG  16  -2.978  11.398  -1.471
   81    HB3  ARG  16           2HB      ARG  16  -3.865  10.591  -0.185
   82    HG2  ARG  16           1HG      ARG  16  -1.971  10.158   0.868
   83    HG3  ARG  16           2HG      ARG  16  -1.385   9.251  -0.528
   84    HD2  ARG  16           1HD      ARG  16  -0.089  10.950  -1.250
   85    HD3  ARG  16           2HD      ARG  16  -1.267  12.179  -0.788
   86    HE   ARG  16           HE       ARG  16  -0.063  11.018   1.503
   87   HH11  ARG  16          1HH1      ARG  16   0.536  13.260  -1.092
   88   HH12  ARG  16          2HH1      ARG  16   1.690  14.191  -0.195
   89   HH21  ARG  16          1HH2      ARG  16   1.454  12.235   2.694
   90   HH22  ARG  16          2HH2      ARG  16   2.212  13.607   1.958
   91    H    LYS  17           H        LYS  17  -5.273   7.914  -2.955
   92    HA   LYS  17           HA       LYS  17  -6.969  10.155  -3.760
   93    HB2  LYS  17           1HB      LYS  17  -5.405   8.497  -5.567
   94    HB3  LYS  17           2HB      LYS  17  -7.124   8.420  -5.931
   95    HG2  LYS  17           1HG      LYS  17  -5.837  11.075  -5.509
   96    HG3  LYS  17           2HG      LYS  17  -5.616  10.230  -7.042
   97    HD2  LYS  17           1HD      LYS  17  -8.220   9.968  -6.925
   98    HD3  LYS  17           2HD      LYS  17  -8.106  11.344  -5.825
   99    HE2  LYS  17           1HE      LYS  17  -6.830  12.560  -7.580
  100    HE3  LYS  17           2HE      LYS  17  -7.124  11.209  -8.674
  101    HZ1  LYS  17           3HZ      LYS  17  -9.261  11.801  -8.972
  102    HZ2  LYS  17           1HZ      LYS  17  -8.707  13.333  -8.514
  103    HZ3  LYS  17           2HZ      LYS  17  -9.469  12.336  -7.380
  104    H    SER  18           H        SER  18  -9.026   9.126  -4.902
  105    HA   SER  18           HA       SER  18  -9.981   7.060  -3.048
  106    HB2  SER  18           1HB      SER  18 -11.972   8.130  -3.003
  107    HB3  SER  18           2HB      SER  18 -11.087   9.487  -3.698
  108    HG   SER  18           HG       SER  18 -12.993   7.898  -4.820
  109    H    GLY  19           H        GLY  19 -11.938   5.799  -4.142
  110    HA2  GLY  19           1HA      GLY  19 -12.686   4.795  -6.238
  111    HA3  GLY  19           2HA      GLY  19 -11.020   4.873  -6.792
  112    H    GLN  20           H        GLN  20 -10.548   2.774  -7.137
  113    HA   GLN  20           HA       GLN  20 -11.139   0.842  -5.011
  114    HB2  GLN  20           1HB      GLN  20 -11.030   0.711  -7.909
  115    HB3  GLN  20           2HB      GLN  20 -10.042  -0.542  -7.169
  116    HG2  GLN  20           1HG      GLN  20 -12.722  -0.202  -6.011
  117    HG3  GLN  20           2HG      GLN  20 -12.677  -0.779  -7.676
  118   HE21  GLN  20          1HE2      GLN  20 -12.403  -2.874  -7.988
  119   HE22  GLN  20          2HE2      GLN  20 -11.838  -4.006  -6.812
  120    H    LEU  21           H        LEU  21  -9.577  -0.081  -3.824
  121    HA   LEU  21           HA       LEU  21  -6.781   0.310  -4.654
  122    HB2  LEU  21           1HB      LEU  21  -8.136   1.168  -2.197
  123    HB3  LEU  21           2HB      LEU  21  -6.619   0.310  -1.934
  124    HG   LEU  21           HG       LEU  21  -6.691   2.590  -3.861
  125   HD11  LEU  21          1HD1      LEU  21  -6.675   4.228  -2.278
  126   HD12  LEU  21          2HD1      LEU  21  -6.079   3.156  -1.011
  127   HD13  LEU  21          3HD1      LEU  21  -7.772   3.086  -1.501
  128   HD21  LEU  21          3HD2      LEU  21  -4.739   0.870  -3.023
  129   HD22  LEU  21          1HD2      LEU  21  -4.482   2.265  -1.975
  130   HD23  LEU  21          2HD2      LEU  21  -4.460   2.463  -3.728
  131    H    LEU  22           H        LEU  22  -5.295  -1.273  -3.914
  132    HA   LEU  22           HA       LEU  22  -6.510  -3.886  -3.579
  133    HB2  LEU  22           1HB      LEU  22  -4.474  -3.164  -5.082
  134    HB3  LEU  22           2HB      LEU  22  -3.561  -3.457  -3.604
  135    HG   LEU  22           HG       LEU  22  -4.412  -5.777  -3.579
  136   HD11  LEU  22          1HD1      LEU  22  -5.269  -6.345  -6.071
  137   HD12  LEU  22          2HD1      LEU  22  -5.979  -4.747  -5.845
  138   HD13  LEU  22          3HD1      LEU  22  -6.341  -6.042  -4.704
  139   HD21  LEU  22          3HD2      LEU  22  -2.715  -6.484  -4.881
  140   HD22  LEU  22          1HD2      LEU  22  -2.352  -4.761  -4.994
  141   HD23  LEU  22          2HD2      LEU  22  -3.260  -5.557  -6.280
  142    H    MET  23           H        MET  23  -5.945  -5.357  -1.910
  143    HA   MET  23           HA       MET  23  -4.980  -4.047   0.547
  144    HB2  MET  23           1HB      MET  23  -6.994  -6.289   0.308
  145    HB3  MET  23           2HB      MET  23  -6.433  -5.568   1.811
  146    HG2  MET  23           1HG      MET  23  -7.341  -3.377   0.951
  147    HG3  MET  23           2HG      MET  23  -8.112  -4.306  -0.332
  148    HE1  MET  23           3HE      MET  23  -9.791  -2.730   0.638
  149    HE2  MET  23           1HE      MET  23 -11.172  -3.762   1.010
  150    HE3  MET  23           2HE      MET  23 -10.436  -2.783   2.279
  151    H    CYS  24           H        CYS  24  -3.463  -5.079   1.770
  152    HA   CYS  24           HA       CYS  24  -2.031  -7.242   0.490
  153    HB2  CYS  24           1HB      CYS  24  -0.801  -5.361   1.489
  154    HB3  CYS  24           2HB      CYS  24  -1.461  -5.768   3.070
  155    H    ASP  25           H        ASP  25  -1.678  -9.286   1.334
  156    HA   ASP  25           HA       ASP  25  -3.710 -10.183   3.235
  157    HB2  ASP  25           1HB      ASP  25  -3.078 -11.264   0.894
  158    HB3  ASP  25           2HB      ASP  25  -1.863 -12.087   1.869
  159    H    THR  26           H        THR  26  -1.672  -8.697   4.384
  160    HA   THR  26           HA       THR  26  -0.680 -10.573   6.320
  161    HB   THR  26           HB       THR  26   1.654  -9.097   5.572
  162    HG1  THR  26           HG1      THR  26   1.884  -9.576   3.479
  163   HG21  THR  26          3HG2      THR  26   0.980 -12.040   5.501
  164   HG22  THR  26          1HG2      THR  26   1.696 -11.156   6.848
  165   HG23  THR  26          2HG2      THR  26   2.606 -11.374   5.353
  166    H    CYS  27           H        CYS  27   0.348  -7.356   5.167
  167    HA   CYS  27           HA       CYS  27   0.158  -6.336   7.885
  168    HB2  CYS  27           1HB      CYS  27   1.335  -4.408   7.085
  169    HB3  CYS  27           2HB      CYS  27   2.117  -5.826   6.395
  170    H    SER  28           H        SER  28  -0.486  -3.722   7.550
  171    HA   SER  28           HA       SER  28  -3.244  -3.825   6.513
  172    HB2  SER  28           1HB      SER  28  -2.161  -2.430   8.967
  173    HB3  SER  28           2HB      SER  28  -3.764  -2.117   8.301
  174    HG   SER  28           HG       SER  28  -3.732  -3.712   9.991
  175    H    ARG  29           H        ARG  29  -1.721  -3.122   4.598
  176    HA   ARG  29           HA       ARG  29  -1.914  -0.196   4.463
  177    HB2  ARG  29           1HB      ARG  29   0.421  -1.754   3.349
  178    HB3  ARG  29           2HB      ARG  29   0.222  -0.007   3.368
  179    HG2  ARG  29           1HG      ARG  29   0.015  -0.698   6.027
  180    HG3  ARG  29           2HG      ARG  29   1.260  -1.787   5.410
  181    HD2  ARG  29           1HD      ARG  29   2.420   0.179   4.436
  182    HD3  ARG  29           2HD      ARG  29   1.218   1.221   5.197
  183    HE   ARG  29           HE       ARG  29   2.470  -0.501   7.089
  184   HH11  ARG  29          1HH1      ARG  29   2.914   2.427   5.258
  185   HH12  ARG  29          2HH1      ARG  29   4.019   3.125   6.395
  186   HH21  ARG  29          1HH2      ARG  29   3.923   0.408   8.594
  187   HH22  ARG  29          2HH2      ARG  29   4.593   1.976   8.292
  188    H    VAL  30           H        VAL  30  -2.742   0.577   2.598
  189    HA   VAL  30           HA       VAL  30  -3.474  -1.399   0.552
  190    HB   VAL  30           HB       VAL  30  -5.098   0.335  -0.222
  191   HG11  VAL  30          1HG1      VAL  30  -6.643  -0.587   1.106
  192   HG12  VAL  30          2HG1      VAL  30  -5.298  -1.454   1.850
  193   HG13  VAL  30          3HG1      VAL  30  -5.890   0.044   2.570
  194   HG21  VAL  30          3HG2      VAL  30  -4.319   1.756   2.322
  195   HG22  VAL  30          1HG2      VAL  30  -3.901   2.286   0.693
  196   HG23  VAL  30          2HG2      VAL  30  -5.590   2.235   1.198
  197    H    TYR  31           H        TYR  31  -3.161  -0.974  -1.652
  198    HA   TYR  31           HA       TYR  31  -1.618   1.367  -2.423
  199    HB2  TYR  31           1HB      TYR  31  -0.573  -1.425  -2.936
  200    HB3  TYR  31           2HB      TYR  31   0.177   0.083  -3.448
  201    HD1  TYR  31           HD1      TYR  31   1.059   1.658  -1.683
  202    HD2  TYR  31           HD2      TYR  31  -0.156  -2.322  -0.796
  203    HE1  TYR  31           HE1      TYR  31   2.333   1.744   0.420
  204    HE2  TYR  31           HE2      TYR  31   1.113  -2.247   1.310
  205    HH   TYR  31           HH       TYR  31   2.932   0.657   2.255
  206    H    HIS  32           H        HIS  32  -2.080   2.028  -4.442
  207    HA   HIS  32           HA       HIS  32  -4.263   1.001  -5.837
  208    HB2  HIS  32           1HB      HIS  32  -2.113   2.969  -6.443
  209    HB3  HIS  32           2HB      HIS  32  -3.067   2.367  -7.795
  210    HD2  HIS  32           HD2      HIS  32  -5.910   2.363  -5.857
  211    HE1  HIS  32           HE1      HIS  32  -5.239   6.547  -6.067
  212    HE2  HIS  32           HE2      HIS  32  -6.880   4.730  -5.475
  213    H    LEU  33           H        LEU  33  -3.921   0.561  -8.369
  214    HA   LEU  33           HA       LEU  33  -2.410  -1.925  -8.463
  215    HB2  LEU  33           1HB      LEU  33  -4.568  -0.689 -10.108
  216    HB3  LEU  33           2HB      LEU  33  -3.550  -1.936 -10.826
  217    HG   LEU  33           HG       LEU  33  -5.209  -2.288  -8.330
  218   HD11  LEU  33          1HD1      LEU  33  -6.515  -3.822  -9.895
  219   HD12  LEU  33          2HD1      LEU  33  -5.732  -2.948 -11.210
  220   HD13  LEU  33          3HD1      LEU  33  -6.762  -2.084 -10.069
  221   HD21  LEU  33          3HD2      LEU  33  -4.102  -4.185  -8.023
  222   HD22  LEU  33          1HD2      LEU  33  -3.030  -3.757  -9.357
  223   HD23  LEU  33          2HD2      LEU  33  -4.485  -4.705  -9.664
  224    H    ASP  34           H        ASP  34  -2.273   1.309  -9.682
  225    HA   ASP  34           HA       ASP  34  -0.137   0.591 -11.560
  226    HB2  ASP  34           1HB      ASP  34  -1.821   3.073 -11.242
  227    HB3  ASP  34           2HB      ASP  34  -0.394   3.026 -12.274
  228    H    CYS  35           H        CYS  35  -0.709   2.039  -8.503
  229    HA   CYS  35           HA       CYS  35   1.920   3.322  -8.462
  230    HB2  CYS  35           1HB      CYS  35  -0.157   3.337  -6.271
  231    HB3  CYS  35           2HB      CYS  35   1.213   4.427  -6.462
  232    H    LEU  36           H        LEU  36   2.469   0.804  -8.660
  233    HA   LEU  36           HA       LEU  36   3.004  -0.135  -5.919
  234    HB2  LEU  36           1HB      LEU  36   2.275  -1.644  -8.401
  235    HB3  LEU  36           2HB      LEU  36   3.174  -2.428  -7.103
  236    HG   LEU  36           HG       LEU  36   0.467  -1.142  -6.758
  237   HD11  LEU  36          1HD1      LEU  36   0.182  -3.862  -6.428
  238   HD12  LEU  36          2HD1      LEU  36   1.236  -3.729  -7.835
  239   HD13  LEU  36          3HD1      LEU  36  -0.333  -2.924  -7.830
  240   HD21  LEU  36          3HD2      LEU  36   1.643  -1.199  -4.690
  241   HD22  LEU  36          1HD2      LEU  36   2.197  -2.849  -4.979
  242   HD23  LEU  36          2HD2      LEU  36   0.489  -2.533  -4.672
  243    H    ASP  37           H        ASP  37   4.857  -1.954  -6.164
  244    HA   ASP  37           HA       ASP  37   6.944  -1.094  -7.994
  245    HB2  ASP  37           1HB      ASP  37   7.391   0.409  -6.192
  246    HB3  ASP  37           2HB      ASP  37   7.183  -0.866  -4.993
  247    HA   PRO  38           HA       PRO  38   7.509  -2.041  -9.518
  248    HB2  PRO  38           1HB      PRO  38   6.706  -3.960 -11.262
  249    HB3  PRO  38           2HB      PRO  38   8.381  -3.792 -10.724
  250    HG2  PRO  38           1HG      PRO  38   6.264  -5.678  -9.765
  251    HG3  PRO  38           2HG      PRO  38   7.976  -5.996 -10.103
  252    HD2  PRO  38           1HD      PRO  38   7.031  -5.627  -7.592
  253    HD3  PRO  38           2HD      PRO  38   8.666  -5.134  -8.080
  254    HA   PRO  39           HA       PRO  39   3.264  -0.997  -9.987
  255    HB2  PRO  39           1HB      PRO  39   3.068  -0.433 -12.635
  256    HB3  PRO  39           2HB      PRO  39   3.913   0.615 -11.490
  257    HG2  PRO  39           1HG      PRO  39   5.034  -1.414 -13.383
  258    HG3  PRO  39           2HG      PRO  39   5.624   0.217 -13.013
  259    HD2  PRO  39           1HD      PRO  39   6.725  -2.010 -11.935
  260    HD3  PRO  39           2HD      PRO  39   6.658  -0.463 -11.068
  261    H    LEU  40           H        LEU  40   1.214  -1.612 -10.922
  262    HA   LEU  40           HA       LEU  40   1.243  -4.231 -12.264
  263    HB2  LEU  40           1HB      LEU  40  -0.060  -3.409  -9.750
  264    HB3  LEU  40           2HB      LEU  40  -1.050  -4.365 -10.851
  265    HG   LEU  40           HG       LEU  40   1.617  -5.198  -9.708
  266   HD11  LEU  40          1HD1      LEU  40   0.420  -5.717  -7.904
  267   HD12  LEU  40          2HD1      LEU  40  -0.324  -6.977  -8.888
  268   HD13  LEU  40          3HD1      LEU  40  -1.109  -5.406  -8.728
  269   HD21  LEU  40          3HD2      LEU  40   0.367  -6.046 -12.042
  270   HD22  LEU  40          1HD2      LEU  40  -0.042  -7.274 -10.844
  271   HD23  LEU  40          2HD2      LEU  40   1.648  -6.881 -11.162
  272    H    LYS  41           H        LYS  41  -1.184  -4.720 -12.957
  273    HA   LYS  41           HA       LYS  41  -2.406  -2.290 -14.051
  274    HB2  LYS  41           1HB      LYS  41  -0.949  -3.187 -15.805
  275    HB3  LYS  41           2HB      LYS  41  -1.731  -4.756 -15.666
  276    HG2  LYS  41           1HG      LYS  41  -3.819  -3.823 -16.453
  277    HG3  LYS  41           2HG      LYS  41  -3.103  -2.211 -16.510
  278    HD2  LYS  41           1HD      LYS  41  -1.485  -3.018 -18.186
  279    HD3  LYS  41           2HD      LYS  41  -2.265  -4.601 -18.154
  280    HE2  LYS  41           1HE      LYS  41  -4.383  -3.502 -18.852
  281    HE3  LYS  41           2HE      LYS  41  -3.500  -1.985 -19.008
  282    HZ1  LYS  41           3HZ      LYS  41  -3.488  -4.322 -20.733
  283    HZ2  LYS  41           1HZ      LYS  41  -1.986  -3.581 -20.493
  284    HZ3  LYS  41           2HZ      LYS  41  -3.279  -2.689 -21.120
  285    H    THR  42           H        THR  42  -2.918  -5.790 -14.467
  286    HA   THR  42           HA       THR  42  -5.742  -5.413 -13.834
  287    HB   THR  42           HB       THR  42  -6.133  -7.581 -14.753
  288    HG1  THR  42           HG1      THR  42  -4.284  -8.874 -15.427
  289   HG21  THR  42          3HG2      THR  42  -5.357  -5.576 -16.270
  290   HG22  THR  42          1HG2      THR  42  -5.621  -7.177 -16.960
  291   HG23  THR  42          2HG2      THR  42  -3.983  -6.633 -16.592
  292    H    ILE  43           H        ILE  43  -6.519  -7.779 -12.819
  293    HA   ILE  43           HA       ILE  43  -5.724  -7.580 -10.090
  294    HB   ILE  43           HB       ILE  43  -7.395  -9.710 -11.428
  295   HG12  ILE  43          1HG1      ILE  43  -8.306  -7.274  -9.887
  296   HG13  ILE  43          2HG1      ILE  43  -8.236  -7.349 -11.644
  297   HG21  ILE  43          1HG2      ILE  43  -7.495 -10.731  -9.461
  298   HG22  ILE  43          2HG2      ILE  43  -6.330  -9.574  -8.819
  299   HG23  ILE  43          3HG2      ILE  43  -8.058  -9.247  -8.692
  300   HD11  ILE  43          3HD1      ILE  43  -9.735  -9.453 -11.331
  301   HD12  ILE  43          1HD1      ILE  43 -10.081  -8.729  -9.761
  302   HD13  ILE  43          2HD1      ILE  43 -10.436  -7.838 -11.241
  303    HA   PRO  44           HA       PRO  44  -2.198 -10.302 -10.565
  304    HB2  PRO  44           1HB      PRO  44  -1.336 -10.029  -8.005
  305    HB3  PRO  44           2HB      PRO  44  -1.046  -8.810  -9.251
  306    HG2  PRO  44           1HG      PRO  44  -3.141  -8.873  -7.114
  307    HG3  PRO  44           2HG      PRO  44  -2.144  -7.513  -7.663
  308    HD2  PRO  44           1HD      PRO  44  -4.712  -7.849  -8.453
  309    HD3  PRO  44           2HD      PRO  44  -3.481  -7.110  -9.497
  310    H    LYS  45           H        LYS  45  -3.359 -12.246 -10.820
  311    HA   LYS  45           HA       LYS  45  -4.880 -13.580  -8.943
  312    HB2  LYS  45           1HB      LYS  45  -4.358 -15.633 -10.179
  313    HB3  LYS  45           2HB      LYS  45  -4.706 -14.300 -11.272
  314    HG2  LYS  45           1HG      LYS  45  -2.611 -14.258 -12.110
  315    HG3  LYS  45           2HG      LYS  45  -1.868 -14.710 -10.574
  316    HD2  LYS  45           1HD      LYS  45  -1.506 -16.589 -11.884
  317    HD3  LYS  45           2HD      LYS  45  -2.973 -17.015 -11.001
  318    HE2  LYS  45           1HE      LYS  45  -3.874 -17.462 -12.992
  319    HE3  LYS  45           2HE      LYS  45  -3.928 -15.717 -13.239
  320    HZ1  LYS  45           3HZ      LYS  45  -2.419 -17.641 -14.632
  321    HZ2  LYS  45           1HZ      LYS  45  -1.357 -16.562 -13.877
  322    HZ3  LYS  45           2HZ      LYS  45  -2.546 -15.980 -14.929
  323    H    GLY  46           H        GLY  46  -4.387 -15.441  -7.600
  324    HA2  GLY  46           1HA      GLY  46  -3.111 -16.653  -6.102
  325    HA3  GLY  46           2HA      GLY  46  -1.669 -16.003  -6.868
  326    H    MET  47           H        MET  47  -1.959 -16.347  -4.088
  327    HA   MET  47           HA       MET  47  -2.800 -14.165  -2.624
  328    HB2  MET  47           1HB      MET  47  -2.032 -16.238  -1.589
  329    HB3  MET  47           2HB      MET  47  -0.388 -15.919  -2.127
  330    HG2  MET  47           1HG      MET  47  -0.472 -13.812  -0.749
  331    HG3  MET  47           2HG      MET  47  -1.980 -14.421  -0.070
  332    HE1  MET  47           3HE      MET  47   0.575 -14.771   2.776
  333    HE2  MET  47           1HE      MET  47  -0.462 -13.655   1.886
  334    HE3  MET  47           2HE      MET  47  -1.167 -15.043   2.714
  335    H    TRP  48           H        TRP  48  -2.376 -12.113  -3.158
  336    HA   TRP  48           HA       TRP  48   0.274 -11.363  -4.110
  337    HB2  TRP  48           1HB      TRP  48  -1.758 -10.498  -5.250
  338    HB3  TRP  48           2HB      TRP  48  -2.200  -9.654  -3.769
  339    HD1  TRP  48           HD1      TRP  48   0.368  -9.548  -6.617
  340    HE1  TRP  48           HE1      TRP  48   1.452  -7.214  -6.652
  341    HE3  TRP  48           HE3      TRP  48  -1.667  -7.644  -2.331
  342    HZ2  TRP  48           HZ2      TRP  48   1.446  -4.876  -5.071
  343    HZ3  TRP  48           HZ3      TRP  48  -1.076  -5.351  -1.663
  344    HH2  TRP  48           HH2      TRP  48   0.449  -3.998  -3.005
  345    H    ILE  49           H        ILE  49   1.634  -9.922  -3.078
  346    HA   ILE  49           HA       ILE  49   0.867  -9.003  -0.401
  347    HB   ILE  49           HB       ILE  49   3.456 -10.438  -1.004
  348   HG12  ILE  49          1HG1      ILE  49   1.157 -11.256   0.785
  349   HG13  ILE  49          2HG1      ILE  49   1.467 -11.921  -0.815
  350   HG21  ILE  49          1HG2      ILE  49   3.802 -10.223   1.464
  351   HG22  ILE  49          2HG2      ILE  49   3.870  -8.700   0.577
  352   HG23  ILE  49          3HG2      ILE  49   2.427  -9.119   1.500
  353   HD11  ILE  49          3HD1      ILE  49   3.841 -12.128   0.740
  354   HD12  ILE  49          1HD1      ILE  49   2.487 -12.778   1.664
  355   HD13  ILE  49          2HD1      ILE  49   2.843 -13.410   0.056
  356    H    CYS  50           H        CYS  50   1.392  -6.944  -0.066
  357    HA   CYS  50           HA       CYS  50   2.428  -5.267  -1.997
  358    HB2  CYS  50           1HB      CYS  50   2.545  -3.574  -0.318
  359    HB3  CYS  50           2HB      CYS  50   1.173  -4.600   0.089
  360    HA   PRO  51           HA       PRO  51   6.788  -5.770  -2.026
  361    HB2  PRO  51           1HB      PRO  51   7.601  -3.239  -2.581
  362    HB3  PRO  51           2HB      PRO  51   6.825  -4.284  -3.778
  363    HG2  PRO  51           1HG      PRO  51   5.634  -2.095  -2.119
  364    HG3  PRO  51           2HG      PRO  51   5.383  -2.461  -3.836
  365    HD2  PRO  51           1HD      PRO  51   3.612  -3.182  -1.918
  366    HD3  PRO  51           2HD      PRO  51   3.875  -4.146  -3.386
  367    H    ARG  52           H        ARG  52   5.251  -3.731   0.251
  368    HA   ARG  52           HA       ARG  52   7.625  -2.887   1.630
  369    HB2  ARG  52           1HB      ARG  52   4.722  -2.520   1.920
  370    HB3  ARG  52           2HB      ARG  52   5.598  -2.583   3.443
  371    HG2  ARG  52           1HG      ARG  52   5.449  -0.307   2.805
  372    HG3  ARG  52           2HG      ARG  52   7.119  -0.813   2.541
  373    HD2  ARG  52           1HD      ARG  52   6.959  -0.637   0.283
  374    HD3  ARG  52           2HD      ARG  52   5.262  -1.112   0.260
  375    HE   ARG  52           HE       ARG  52   5.204   1.336   1.409
  376   HH11  ARG  52          1HH1      ARG  52   6.603   0.102  -1.530
  377   HH12  ARG  52          2HH1      ARG  52   6.439   1.597  -2.390
  378   HH21  ARG  52          1HH2      ARG  52   4.982   3.310   0.287
  379   HH22  ARG  52          2HH2      ARG  52   5.517   3.421  -1.356
  380    H    CYS  53           H        CYS  53   5.547  -5.646   1.693
  381    HA   CYS  53           HA       CYS  53   6.434  -6.530   4.307
  382    HB2  CYS  53           1HB      CYS  53   4.524  -7.559   2.246
  383    HB3  CYS  53           2HB      CYS  53   5.140  -8.666   3.468
  384    H    GLN  54           H        GLN  54   6.705  -7.732   0.962
  385    HA   GLN  54           HA       GLN  54   8.362  -9.891   1.411
  386    HB2  GLN  54           1HB      GLN  54   8.216  -8.005  -0.938
  387    HB3  GLN  54           2HB      GLN  54   9.199  -9.463  -0.945
  388    HG2  GLN  54           1HG      GLN  54   6.383  -9.823  -0.172
  389    HG3  GLN  54           2HG      GLN  54   6.670  -9.345  -1.844
  390   HE21  GLN  54          1HE2      GLN  54   7.007 -10.922  -3.229
  391   HE22  GLN  54          2HE2      GLN  54   7.547 -12.518  -2.846
  392    H    ASP  55           H        ASP  55   9.140  -6.493   1.357
  393    HA   ASP  55           HA       ASP  55  11.987  -7.141   1.734
  394    HB2  ASP  55           1HB      ASP  55  10.812  -5.328   0.002
  395    HB3  ASP  55           2HB      ASP  55  11.355  -4.317   1.339
  396    H    GLN  56           H        GLN  56  13.177  -5.758   3.269
  397    HA   GLN  56           HA       GLN  56  11.768  -5.623   5.767
  398    HB2  GLN  56           1HB      GLN  56  13.929  -4.983   6.715
  399    HB3  GLN  56           2HB      GLN  56  14.094  -6.387   5.669
  400    HG2  GLN  56           1HG      GLN  56  15.096  -5.111   3.954
  401    HG3  GLN  56           2HG      GLN  56  14.659  -3.591   4.733
  402   HE21  GLN  56          1HE2      GLN  56  15.853  -2.862   6.480
  403   HE22  GLN  56          2HE2      GLN  56  17.397  -3.522   6.887
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -1.444   2.222  19.573
    2    HA2  GLY   1           1HA      GLY   1  -3.424   3.475  20.140
    3    HA3  GLY   1           2HA      GLY   1  -4.141   2.941  18.628
    4    H    SER   2           H        SER   2  -5.009   2.739  21.498
    5    HA   SER   2           HA       SER   2  -4.895  -0.009  22.232
    6    HB2  SER   2           1HB      SER   2  -6.526   2.343  23.153
    7    HB3  SER   2           2HB      SER   2  -6.879   0.719  23.742
    8    HG   SER   2           HG       SER   2  -5.328   2.076  24.982
    9    H    SER   3           H        SER   3  -7.313   2.000  20.604
   10    HA   SER   3           HA       SER   3  -8.862  -0.431  20.011
   11    HB2  SER   3           1HB      SER   3 -10.285   1.111  21.102
   12    HB3  SER   3           2HB      SER   3  -9.648   2.475  20.183
   13    HG   SER   3           HG       SER   3 -11.259   2.118  18.893
   14    H    GLY   4           H        GLY   4  -9.745  -0.685  17.874
   15    HA2  GLY   4           1HA      GLY   4  -9.009   0.985  15.703
   16    HA3  GLY   4           2HA      GLY   4  -7.897  -0.370  15.820
   17    H    SER   5           H        SER   5 -11.422  -0.007  16.216
   18    HA   SER   5           HA       SER   5 -11.895  -2.514  14.896
   19    HB2  SER   5           1HB      SER   5 -13.583  -0.434  16.211
   20    HB3  SER   5           2HB      SER   5 -14.362  -1.536  15.076
   21    HG   SER   5           HG       SER   5 -13.225  -2.045  17.565
   22    H    SER   6           H        SER   6 -10.882  -2.031  12.852
   23    HA   SER   6           HA       SER   6 -12.783  -0.950  10.953
   24    HB2  SER   6           1HB      SER   6 -10.730   0.714  11.897
   25    HB3  SER   6           2HB      SER   6 -10.194   0.169  10.308
   26    HG   SER   6           HG       SER   6 -11.474   1.709   9.648
   27    H    GLY   7           H        GLY   7 -11.278  -0.872   8.694
   28    HA2  GLY   7           1HA      GLY   7 -10.024  -3.543   8.564
   29    HA3  GLY   7           2HA      GLY   7 -11.194  -3.020   7.361
   30    H    HIS   8           H        HIS   8  -8.111  -2.001   8.822
   31    HA   HIS   8           HA       HIS   8  -6.240  -1.073   7.922
   32    HB2  HIS   8           1HB      HIS   8  -7.242  -2.085   5.258
   33    HB3  HIS   8           2HB      HIS   8  -5.576  -1.747   5.718
   34    HD2  HIS   8           HD2      HIS   8  -6.568  -4.765   4.710
   35    HE1  HIS   8           HE1      HIS   8  -5.825  -5.801   8.756
   36    HE2  HIS   8           HE2      HIS   8  -6.067  -6.657   6.400
   37    H    GLU   9           H        GLU   9  -5.517   0.426   5.960
   38    HA   GLU   9           HA       GLU   9  -7.019   2.798   6.209
   39    HB2  GLU   9           1HB      GLU   9  -5.018   2.251   4.022
   40    HB3  GLU   9           2HB      GLU   9  -5.428   3.796   4.753
   41    HG2  GLU   9           1HG      GLU   9  -4.471   2.942   6.897
   42    HG3  GLU   9           2HG      GLU   9  -3.904   1.530   6.008
   43    H    ASP  10           H        ASP  10  -7.324   4.025   3.881
   44    HA   ASP  10           HA       ASP  10  -8.765   2.319   2.020
   45    HB2  ASP  10           1HB      ASP  10 -10.210   4.696   3.170
   46    HB3  ASP  10           2HB      ASP  10 -10.867   3.361   2.228
   47    H    PHE  11           H        PHE  11  -6.384   4.100   2.056
   48    HA   PHE  11           HA       PHE  11  -7.052   5.589  -0.357
   49    HB2  PHE  11           1HB      PHE  11  -5.568   6.940   1.899
   50    HB3  PHE  11           2HB      PHE  11  -6.130   7.665   0.397
   51    HD1  PHE  11           HD1      PHE  11  -8.504   8.145   0.061
   52    HD2  PHE  11           HD2      PHE  11  -7.041   6.607   3.751
   53    HE1  PHE  11           HE1      PHE  11 -10.603   8.804   1.164
   54    HE2  PHE  11           HE2      PHE  11  -9.138   7.263   4.859
   55    HZ   PHE  11           HZ       PHE  11 -10.922   8.362   3.566
   56    H    CYS  12           H        CYS  12  -5.372   5.777  -1.789
   57    HA   CYS  12           HA       CYS  12  -3.335   3.916  -1.765
   58    HB2  CYS  12           1HB      CYS  12  -4.126   5.171  -3.767
   59    HB3  CYS  12           2HB      CYS  12  -3.265   6.589  -3.178
   60    H    SER  13           H        SER  13  -1.270   3.833  -1.045
   61    HA   SER  13           HA       SER  13  -0.443   5.941   0.800
   62    HB2  SER  13           1HB      SER  13  -0.367   3.210   1.022
   63    HB3  SER  13           2HB      SER  13   1.289   3.577   0.542
   64    HG   SER  13           HG       SER  13   1.354   5.077   2.292
   65    H    VAL  14           H        VAL  14  -0.309   6.568  -1.946
   66    HA   VAL  14           HA       VAL  14   2.527   7.174  -2.152
   67    HB   VAL  14           HB       VAL  14   1.055   5.769  -4.387
   68   HG11  VAL  14          1HG1      VAL  14   3.653   5.848  -5.145
   69   HG12  VAL  14          2HG1      VAL  14   2.434   7.016  -5.656
   70   HG13  VAL  14          3HG1      VAL  14   3.506   7.392  -4.307
   71   HG21  VAL  14          3HG2      VAL  14   2.744   4.009  -4.077
   72   HG22  VAL  14          1HG2      VAL  14   3.386   4.884  -2.687
   73   HG23  VAL  14          2HG2      VAL  14   1.749   4.230  -2.638
   74    H    CYS  15           H        CYS  15  -0.669   7.447  -3.673
   75    HA   CYS  15           HA       CYS  15   0.010  10.219  -4.411
   76    HB2  CYS  15           1HB      CYS  15  -1.550  10.045  -6.252
   77    HB3  CYS  15           2HB      CYS  15  -0.411   8.706  -6.342
   78    H    ARG  16           H        ARG  16  -2.166   8.134  -2.726
   79    HA   ARG  16           HA       ARG  16  -3.895   8.535  -1.305
   80    HB2  ARG  16           1HB      ARG  16  -3.150  11.455  -1.450
   81    HB3  ARG  16           2HB      ARG  16  -3.983  10.619  -0.146
   82    HG2  ARG  16           1HG      ARG  16  -1.519   9.307  -0.497
   83    HG3  ARG  16           2HG      ARG  16  -1.187  11.040  -0.521
   84    HD2  ARG  16           1HD      ARG  16  -2.889  10.934   1.551
   85    HD3  ARG  16           2HD      ARG  16  -2.184   9.322   1.667
   86    HE   ARG  16           HE       ARG  16  -0.067  11.070   1.383
   87   HH11  ARG  16          1HH1      ARG  16  -2.660  10.549   3.648
   88   HH12  ARG  16          2HH1      ARG  16  -1.766  11.144   5.007
   89   HH21  ARG  16          1HH2      ARG  16   1.119  11.856   3.166
   90   HH22  ARG  16          2HH2      ARG  16   0.383  11.888   4.732
   91    H    LYS  17           H        LYS  17  -5.400   7.956  -2.933
   92    HA   LYS  17           HA       LYS  17  -7.093  10.193  -3.756
   93    HB2  LYS  17           1HB      LYS  17  -5.485   8.599  -5.548
   94    HB3  LYS  17           2HB      LYS  17  -7.193   8.385  -5.905
   95    HG2  LYS  17           1HG      LYS  17  -6.240  11.157  -5.505
   96    HG3  LYS  17           2HG      LYS  17  -5.729  10.327  -6.976
   97    HD2  LYS  17           1HD      LYS  17  -8.246   9.710  -7.186
   98    HD3  LYS  17           2HD      LYS  17  -8.486  11.056  -6.069
   99    HE2  LYS  17           1HE      LYS  17  -6.702  11.622  -8.334
  100    HE3  LYS  17           2HE      LYS  17  -8.375  11.287  -8.775
  101    HZ1  LYS  17           3HZ      LYS  17  -9.133  13.060  -7.445
  102    HZ2  LYS  17           1HZ      LYS  17  -7.819  13.675  -8.315
  103    HZ3  LYS  17           2HZ      LYS  17  -7.633  13.254  -6.688
  104    H    SER  18           H        SER  18  -9.277   9.577  -4.256
  105    HA   SER  18           HA       SER  18 -10.142   7.312  -2.665
  106    HB2  SER  18           1HB      SER  18 -11.677   8.911  -2.201
  107    HB3  SER  18           2HB      SER  18 -11.363   9.782  -3.702
  108    HG   SER  18           HG       SER  18 -13.147   8.936  -4.391
  109    H    GLY  19           H        GLY  19 -11.327   5.559  -3.410
  110    HA2  GLY  19           1HA      GLY  19 -12.598   4.852  -5.566
  111    HA3  GLY  19           2HA      GLY  19 -11.001   5.023  -6.280
  112    H    GLN  20           H        GLN  20 -11.153   2.781  -6.861
  113    HA   GLN  20           HA       GLN  20 -11.294   0.783  -4.800
  114    HB2  GLN  20           1HB      GLN  20 -11.337   0.854  -7.690
  115    HB3  GLN  20           2HB      GLN  20 -10.241  -0.395  -7.115
  116    HG2  GLN  20           1HG      GLN  20 -12.025  -1.362  -5.773
  117    HG3  GLN  20           2HG      GLN  20 -13.126  -0.096  -6.313
  118   HE21  GLN  20          1HE2      GLN  20 -14.499  -1.751  -7.111
  119   HE22  GLN  20          2HE2      GLN  20 -14.160  -2.530  -8.616
  120    H    LEU  21           H        LEU  21  -9.672  -0.062  -3.662
  121    HA   LEU  21           HA       LEU  21  -6.919   0.340  -4.620
  122    HB2  LEU  21           1HB      LEU  21  -8.162   1.195  -2.105
  123    HB3  LEU  21           2HB      LEU  21  -6.630   0.345  -1.912
  124    HG   LEU  21           HG       LEU  21  -6.741   2.577  -3.871
  125   HD11  LEU  21          1HD1      LEU  21  -7.919   3.219  -1.647
  126   HD12  LEU  21          2HD1      LEU  21  -6.687   4.285  -2.322
  127   HD13  LEU  21          3HD1      LEU  21  -6.283   3.205  -0.987
  128   HD21  LEU  21          3HD2      LEU  21  -4.774   0.944  -3.006
  129   HD22  LEU  21          1HD2      LEU  21  -4.585   2.294  -1.886
  130   HD23  LEU  21          2HD2      LEU  21  -4.501   2.573  -3.626
  131    H    LEU  22           H        LEU  22  -5.383  -1.223  -3.899
  132    HA   LEU  22           HA       LEU  22  -6.559  -3.851  -3.560
  133    HB2  LEU  22           1HB      LEU  22  -4.573  -3.134  -5.094
  134    HB3  LEU  22           2HB      LEU  22  -3.617  -3.332  -3.627
  135    HG   LEU  22           HG       LEU  22  -4.368  -5.684  -3.498
  136   HD11  LEU  22          1HD1      LEU  22  -6.342  -5.987  -4.572
  137   HD12  LEU  22          2HD1      LEU  22  -5.260  -6.445  -5.887
  138   HD13  LEU  22          3HD1      LEU  22  -5.959  -4.827  -5.844
  139   HD21  LEU  22          3HD2      LEU  22  -2.381  -4.632  -4.994
  140   HD22  LEU  22          1HD2      LEU  22  -3.275  -5.525  -6.225
  141   HD23  LEU  22          2HD2      LEU  22  -2.661  -6.363  -4.799
  142    H    MET  23           H        MET  23  -5.911  -5.338  -1.918
  143    HA   MET  23           HA       MET  23  -4.941  -4.033   0.540
  144    HB2  MET  23           1HB      MET  23  -7.012  -6.221   0.286
  145    HB3  MET  23           2HB      MET  23  -6.382  -5.600   1.806
  146    HG2  MET  23           1HG      MET  23  -7.201  -3.305   0.861
  147    HG3  MET  23           2HG      MET  23  -8.230  -4.322  -0.145
  148    HE1  MET  23           3HE      MET  23  -8.591  -2.418   3.373
  149    HE2  MET  23           1HE      MET  23  -8.944  -2.117   1.671
  150    HE3  MET  23           2HE      MET  23 -10.235  -2.615   2.764
  151    H    CYS  24           H        CYS  24  -3.414  -5.080   1.734
  152    HA   CYS  24           HA       CYS  24  -2.007  -7.239   0.428
  153    HB2  CYS  24           1HB      CYS  24  -0.774  -5.378   1.472
  154    HB3  CYS  24           2HB      CYS  24  -1.430  -5.828   3.042
  155    H    ASP  25           H        ASP  25  -1.658  -9.298   1.241
  156    HA   ASP  25           HA       ASP  25  -3.710 -10.229   3.101
  157    HB2  ASP  25           1HB      ASP  25  -2.907 -11.266   0.738
  158    HB3  ASP  25           2HB      ASP  25  -1.875 -12.177   1.836
  159    H    THR  26           H        THR  26  -1.639  -8.743   4.258
  160    HA   THR  26           HA       THR  26  -0.687 -10.647   6.199
  161    HB   THR  26           HB       THR  26   1.637  -9.122   5.485
  162    HG1  THR  26           HG1      THR  26   1.882  -9.585   3.398
  163   HG21  THR  26          3HG2      THR  26   2.711 -11.117   5.822
  164   HG22  THR  26          1HG2      THR  26   1.448 -12.058   5.029
  165   HG23  THR  26          2HG2      THR  26   1.200 -11.453   6.667
  166    H    CYS  27           H        CYS  27   0.296  -7.394   5.105
  167    HA   CYS  27           HA       CYS  27   0.073  -6.425   7.841
  168    HB2  CYS  27           1HB      CYS  27   1.191  -4.433   7.048
  169    HB3  CYS  27           2HB      CYS  27   2.050  -5.846   6.446
  170    H    SER  28           H        SER  28  -0.605  -3.818   7.550
  171    HA   SER  28           HA       SER  28  -3.351  -3.940   6.484
  172    HB2  SER  28           1HB      SER  28  -2.305  -2.566   8.966
  173    HB3  SER  28           2HB      SER  28  -3.906  -2.262   8.291
  174    HG   SER  28           HG       SER  28  -3.091  -4.287   9.854
  175    H    ARG  29           H        ARG  29  -1.922  -3.187   4.561
  176    HA   ARG  29           HA       ARG  29  -2.111  -0.263   4.481
  177    HB2  ARG  29           1HB      ARG  29   0.230  -1.758   3.300
  178    HB3  ARG  29           2HB      ARG  29   0.020  -0.016   3.419
  179    HG2  ARG  29           1HG      ARG  29  -0.158  -0.842   6.036
  180    HG3  ARG  29           2HG      ARG  29   1.075  -1.905   5.355
  181    HD2  ARG  29           1HD      ARG  29   2.382  -0.041   4.632
  182    HD3  ARG  29           2HD      ARG  29   1.091   1.090   5.037
  183    HE   ARG  29           HE       ARG  29   3.027  -0.036   6.827
  184   HH11  ARG  29          1HH1      ARG  29  -0.177   1.303   6.578
  185   HH12  ARG  29          2HH1      ARG  29  -0.236   1.808   8.234
  186   HH21  ARG  29          1HH2      ARG  29   2.962   0.624   9.010
  187   HH22  ARG  29          2HH2      ARG  29   1.550   1.422   9.616
  188    H    VAL  30           H        VAL  30  -2.784   0.578   2.548
  189    HA   VAL  30           HA       VAL  30  -3.559  -1.389   0.500
  190    HB   VAL  30           HB       VAL  30  -5.212   0.305  -0.248
  191   HG11  VAL  30          1HG1      VAL  30  -5.337  -1.409   1.929
  192   HG12  VAL  30          2HG1      VAL  30  -6.032   0.101   2.521
  193   HG13  VAL  30          3HG1      VAL  30  -6.701  -0.676   1.086
  194   HG21  VAL  30          3HG2      VAL  30  -5.723   2.193   1.257
  195   HG22  VAL  30          1HG2      VAL  30  -4.297   1.789   2.212
  196   HG23  VAL  30          2HG2      VAL  30  -4.117   2.316   0.539
  197    H    TYR  31           H        TYR  31  -3.223  -0.937  -1.691
  198    HA   TYR  31           HA       TYR  31  -1.714   1.437  -2.423
  199    HB2  TYR  31           1HB      TYR  31  -0.607  -1.324  -2.965
  200    HB3  TYR  31           2HB      TYR  31   0.124   0.209  -3.425
  201    HD1  TYR  31           HD1      TYR  31   0.970   1.743  -1.620
  202    HD2  TYR  31           HD2      TYR  31  -0.245  -2.256  -0.824
  203    HE1  TYR  31           HE1      TYR  31   2.200   1.800   0.510
  204    HE2  TYR  31           HE2      TYR  31   0.981  -2.210   1.308
  205    HH   TYR  31           HH       TYR  31   2.490  -1.071   2.540
  206    H    HIS  32           H        HIS  32  -2.160   2.104  -4.445
  207    HA   HIS  32           HA       HIS  32  -4.308   1.049  -5.874
  208    HB2  HIS  32           1HB      HIS  32  -2.183   3.056  -6.446
  209    HB3  HIS  32           2HB      HIS  32  -3.124   2.453  -7.807
  210    HD2  HIS  32           HD2      HIS  32  -5.969   2.392  -5.867
  211    HE1  HIS  32           HE1      HIS  32  -5.363   6.587  -6.060
  212    HE2  HIS  32           HE2      HIS  32  -6.975   4.742  -5.474
  213    H    LEU  33           H        LEU  33  -3.925   0.637  -8.406
  214    HA   LEU  33           HA       LEU  33  -2.366  -1.820  -8.500
  215    HB2  LEU  33           1HB      LEU  33  -4.512  -0.608 -10.186
  216    HB3  LEU  33           2HB      LEU  33  -3.477  -1.865 -10.863
  217    HG   LEU  33           HG       LEU  33  -5.229  -2.159  -8.422
  218   HD11  LEU  33          1HD1      LEU  33  -6.367  -1.951 -10.680
  219   HD12  LEU  33          2HD1      LEU  33  -6.714  -3.408  -9.750
  220   HD13  LEU  33          3HD1      LEU  33  -5.582  -3.473 -11.101
  221   HD21  LEU  33          3HD2      LEU  33  -4.613  -4.661  -9.192
  222   HD22  LEU  33          1HD2      LEU  33  -3.704  -3.762  -7.978
  223   HD23  LEU  33          2HD2      LEU  33  -3.125  -3.827  -9.642
  224    H    ASP  34           H        ASP  34  -2.281   1.425  -9.697
  225    HA   ASP  34           HA       ASP  34  -0.110   0.762 -11.555
  226    HB2  ASP  34           1HB      ASP  34  -2.074   2.981 -11.348
  227    HB3  ASP  34           2HB      ASP  34  -0.479   3.387 -11.976
  228    H    CYS  35           H        CYS  35  -0.735   2.153  -8.488
  229    HA   CYS  35           HA       CYS  35   1.868   3.491  -8.410
  230    HB2  CYS  35           1HB      CYS  35  -0.234   3.452  -6.242
  231    HB3  CYS  35           2HB      CYS  35   1.119   4.566  -6.408
  232    H    LEU  36           H        LEU  36   2.470   0.990  -8.622
  233    HA   LEU  36           HA       LEU  36   2.988   0.035  -5.882
  234    HB2  LEU  36           1HB      LEU  36   2.313  -1.465  -8.384
  235    HB3  LEU  36           2HB      LEU  36   3.213  -2.244  -7.084
  236    HG   LEU  36           HG       LEU  36   0.440  -1.071  -6.861
  237   HD11  LEU  36          1HD1      LEU  36   1.401  -3.633  -7.743
  238   HD12  LEU  36          2HD1      LEU  36  -0.249  -3.012  -7.683
  239   HD13  LEU  36          3HD1      LEU  36   0.448  -3.802  -6.268
  240   HD21  LEU  36          3HD2      LEU  36   0.549  -2.384  -4.657
  241   HD22  LEU  36          1HD2      LEU  36   1.379  -0.830  -4.740
  242   HD23  LEU  36          2HD2      LEU  36   2.299  -2.329  -4.871
  243    H    ASP  37           H        ASP  37   4.876  -1.750  -6.124
  244    HA   ASP  37           HA       ASP  37   6.968  -0.836  -7.922
  245    HB2  ASP  37           1HB      ASP  37   6.847   0.272  -5.400
  246    HB3  ASP  37           2HB      ASP  37   7.980  -1.059  -5.184
  247    HA   PRO  38           HA       PRO  38   7.566  -1.759  -9.449
  248    HB2  PRO  38           1HB      PRO  38   6.815  -3.675 -11.220
  249    HB3  PRO  38           2HB      PRO  38   8.482  -3.483 -10.661
  250    HG2  PRO  38           1HG      PRO  38   6.388  -5.415  -9.743
  251    HG3  PRO  38           2HG      PRO  38   8.108  -5.699 -10.066
  252    HD2  PRO  38           1HD      PRO  38   7.130  -5.371  -7.562
  253    HD3  PRO  38           2HD      PRO  38   8.760  -4.845  -8.027
  254    HA   PRO  39           HA       PRO  39   3.309  -0.784  -9.954
  255    HB2  PRO  39           1HB      PRO  39   3.132  -0.195 -12.598
  256    HB3  PRO  39           2HB      PRO  39   3.946   0.855 -11.432
  257    HG2  PRO  39           1HG      PRO  39   5.124  -1.134 -13.334
  258    HG3  PRO  39           2HG      PRO  39   5.680   0.503 -12.940
  259    HD2  PRO  39           1HD      PRO  39   6.808  -1.716 -11.873
  260    HD3  PRO  39           2HD      PRO  39   6.704  -0.179 -10.991
  261    H    LEU  40           H        LEU  40   1.291  -1.520 -10.725
  262    HA   LEU  40           HA       LEU  40   1.382  -4.118 -12.113
  263    HB2  LEU  40           1HB      LEU  40   0.060  -3.271  -9.642
  264    HB3  LEU  40           2HB      LEU  40  -0.993  -4.136 -10.760
  265    HG   LEU  40           HG       LEU  40   1.607  -5.173  -9.632
  266   HD11  LEU  40          1HD1      LEU  40  -1.126  -5.208  -8.656
  267   HD12  LEU  40          2HD1      LEU  40   0.374  -5.645  -7.840
  268   HD13  LEU  40          3HD1      LEU  40  -0.456  -6.828  -8.850
  269   HD21  LEU  40          3HD2      LEU  40   1.526  -6.824 -11.120
  270   HD22  LEU  40          1HD2      LEU  40   0.305  -5.888 -11.983
  271   HD23  LEU  40          2HD2      LEU  40  -0.187  -7.109 -10.808
  272    H    LYS  41           H        LYS  41  -1.028  -4.635 -12.872
  273    HA   LYS  41           HA       LYS  41  -2.207  -2.244 -14.091
  274    HB2  LYS  41           1HB      LYS  41  -0.739  -3.116 -15.798
  275    HB3  LYS  41           2HB      LYS  41  -1.373  -4.741 -15.573
  276    HG2  LYS  41           1HG      LYS  41  -3.560  -3.988 -16.388
  277    HG3  LYS  41           2HG      LYS  41  -2.894  -2.374 -16.648
  278    HD2  LYS  41           1HD      LYS  41  -1.169  -4.237 -17.912
  279    HD3  LYS  41           2HD      LYS  41  -2.824  -4.633 -18.381
  280    HE2  LYS  41           1HE      LYS  41  -1.626  -1.871 -18.540
  281    HE3  LYS  41           2HE      LYS  41  -1.687  -3.003 -19.890
  282    HZ1  LYS  41           3HZ      LYS  41  -4.015  -1.860 -18.444
  283    HZ2  LYS  41           1HZ      LYS  41  -4.118  -3.028 -19.663
  284    HZ3  LYS  41           2HZ      LYS  41  -3.526  -1.485 -20.020
  285    H    THR  42           H        THR  42  -2.715  -5.746 -14.461
  286    HA   THR  42           HA       THR  42  -5.554  -5.351 -13.907
  287    HB   THR  42           HB       THR  42  -5.935  -7.516 -14.825
  288    HG1  THR  42           HG1      THR  42  -4.482  -8.997 -14.444
  289   HG21  THR  42          3HG2      THR  42  -3.699  -6.604 -16.582
  290   HG22  THR  42          1HG2      THR  42  -5.090  -5.548 -16.341
  291   HG23  THR  42          2HG2      THR  42  -5.314  -7.161 -17.018
  292    H    ILE  43           H        ILE  43  -6.368  -7.704 -12.889
  293    HA   ILE  43           HA       ILE  43  -5.644  -7.480 -10.142
  294    HB   ILE  43           HB       ILE  43  -7.293  -9.614 -11.503
  295   HG12  ILE  43          1HG1      ILE  43  -9.070  -8.070 -10.177
  296   HG13  ILE  43          2HG1      ILE  43  -7.869  -6.853 -10.594
  297   HG21  ILE  43          1HG2      ILE  43  -6.295  -9.454  -8.865
  298   HG22  ILE  43          2HG2      ILE  43  -8.026  -9.128  -8.792
  299   HG23  ILE  43          3HG2      ILE  43  -7.440 -10.619  -9.531
  300   HD11  ILE  43          3HD1      ILE  43  -8.898  -8.707 -12.690
  301   HD12  ILE  43          1HD1      ILE  43  -9.852  -7.311 -12.191
  302   HD13  ILE  43          2HD1      ILE  43  -8.234  -7.082 -12.855
  303    HA   PRO  44           HA       PRO  44  -2.122 -10.226 -10.498
  304    HB2  PRO  44           1HB      PRO  44  -1.325  -9.932  -7.919
  305    HB3  PRO  44           2HB      PRO  44  -0.997  -8.727  -9.170
  306    HG2  PRO  44           1HG      PRO  44  -3.146  -8.757  -7.087
  307    HG3  PRO  44           2HG      PRO  44  -2.128  -7.409  -7.623
  308    HD2  PRO  44           1HD      PRO  44  -4.677  -7.739  -8.476
  309    HD3  PRO  44           2HD      PRO  44  -3.414  -7.017  -9.495
  310    H    LYS  45           H        LYS  45  -3.479 -12.098 -10.771
  311    HA   LYS  45           HA       LYS  45  -4.945 -13.402  -8.829
  312    HB2  LYS  45           1HB      LYS  45  -3.358 -14.459 -11.162
  313    HB3  LYS  45           2HB      LYS  45  -4.315 -15.518 -10.133
  314    HG2  LYS  45           1HG      LYS  45  -6.013 -15.099 -11.498
  315    HG3  LYS  45           2HG      LYS  45  -6.068 -13.485 -10.784
  316    HD2  LYS  45           1HD      LYS  45  -5.753 -12.754 -12.880
  317    HD3  LYS  45           2HD      LYS  45  -4.071 -13.231 -12.638
  318    HE2  LYS  45           1HE      LYS  45  -5.423 -15.570 -13.369
  319    HE3  LYS  45           2HE      LYS  45  -6.045 -14.312 -14.436
  320    HZ1  LYS  45           3HZ      LYS  45  -3.863 -13.814 -15.177
  321    HZ2  LYS  45           1HZ      LYS  45  -4.036 -15.495 -15.268
  322    HZ3  LYS  45           2HZ      LYS  45  -3.153 -14.803 -14.003
  323    H    GLY  46           H        GLY  46  -4.459 -15.325  -7.567
  324    HA2  GLY  46           1HA      GLY  46  -3.137 -16.647  -6.202
  325    HA3  GLY  46           2HA      GLY  46  -1.717 -15.992  -7.004
  326    H    MET  47           H        MET  47  -1.855 -16.452  -4.242
  327    HA   MET  47           HA       MET  47  -2.594 -14.336  -2.632
  328    HB2  MET  47           1HB      MET  47  -1.815 -16.413  -1.683
  329    HB3  MET  47           2HB      MET  47  -0.218 -16.186  -2.383
  330    HG2  MET  47           1HG      MET  47   0.428 -14.719  -0.790
  331    HG3  MET  47           2HG      MET  47  -1.193 -14.058  -0.584
  332    HE1  MET  47           3HE      MET  47   0.268 -14.995   2.656
  333    HE2  MET  47           1HE      MET  47   1.179 -16.352   1.992
  334    HE3  MET  47           2HE      MET  47   1.194 -14.793   1.168
  335    H    TRP  48           H        TRP  48  -2.200 -12.272  -3.185
  336    HA   TRP  48           HA       TRP  48   0.448 -11.508  -4.147
  337    HB2  TRP  48           1HB      TRP  48  -1.555 -10.656  -5.323
  338    HB3  TRP  48           2HB      TRP  48  -2.060  -9.840  -3.846
  339    HD1  TRP  48           HD1      TRP  48   0.584  -9.639  -6.619
  340    HE1  TRP  48           HE1      TRP  48   1.613  -7.280  -6.596
  341    HE3  TRP  48           HE3      TRP  48  -1.614  -7.836  -2.370
  342    HZ2  TRP  48           HZ2      TRP  48   1.508  -4.962  -4.988
  343    HZ3  TRP  48           HZ3      TRP  48  -1.097  -5.538  -1.658
  344    HH2  TRP  48           HH2      TRP  48   0.433  -4.133  -2.941
  345    H    ILE  49           H        ILE  49   1.768 -10.010  -3.121
  346    HA   ILE  49           HA       ILE  49   0.974  -9.103  -0.451
  347    HB   ILE  49           HB       ILE  49   3.654 -10.390  -0.959
  348   HG12  ILE  49          1HG1      ILE  49   1.245 -11.546   0.461
  349   HG13  ILE  49          2HG1      ILE  49   1.837 -12.057  -1.115
  350   HG21  ILE  49          1HG2      ILE  49   4.218  -9.451   0.969
  351   HG22  ILE  49          2HG2      ILE  49   2.608  -8.752   1.128
  352   HG23  ILE  49          3HG2      ILE  49   2.937 -10.362   1.769
  353   HD11  ILE  49          3HD1      ILE  49   3.159 -13.516  -0.122
  354   HD12  ILE  49          1HD1      ILE  49   4.006 -12.197   0.685
  355   HD13  ILE  49          2HD1      ILE  49   2.614 -12.957   1.459
  356    H    CYS  50           H        CYS  50   1.468  -7.035  -0.127
  357    HA   CYS  50           HA       CYS  50   2.511  -5.361  -2.057
  358    HB2  CYS  50           1HB      CYS  50   2.581  -3.654  -0.393
  359    HB3  CYS  50           2HB      CYS  50   1.223  -4.698   0.014
  360    HA   PRO  51           HA       PRO  51   6.877  -5.814  -2.026
  361    HB2  PRO  51           1HB      PRO  51   7.668  -3.278  -2.586
  362    HB3  PRO  51           2HB      PRO  51   6.920  -4.338  -3.786
  363    HG2  PRO  51           1HG      PRO  51   5.683  -2.153  -2.156
  364    HG3  PRO  51           2HG      PRO  51   5.458  -2.532  -3.874
  365    HD2  PRO  51           1HD      PRO  51   3.671  -3.261  -1.975
  366    HD3  PRO  51           2HD      PRO  51   3.964  -4.231  -3.433
  367    H    ARG  52           H        ARG  52   5.284  -3.796   0.226
  368    HA   ARG  52           HA       ARG  52   7.630  -2.910   1.629
  369    HB2  ARG  52           1HB      ARG  52   4.774  -2.453   1.764
  370    HB3  ARG  52           2HB      ARG  52   5.444  -2.731   3.366
  371    HG2  ARG  52           1HG      ARG  52   7.171  -0.957   1.969
  372    HG3  ARG  52           2HG      ARG  52   5.512  -0.372   1.814
  373    HD2  ARG  52           1HD      ARG  52   5.289  -0.653   4.299
  374    HD3  ARG  52           2HD      ARG  52   7.021  -0.977   4.350
  375    HE   ARG  52           HE       ARG  52   6.321   1.492   3.043
  376   HH11  ARG  52          1HH1      ARG  52   7.065  -0.050   6.074
  377   HH12  ARG  52          2HH1      ARG  52   7.581   1.415   6.842
  378   HH21  ARG  52          1HH2      ARG  52   6.998   3.427   4.043
  379   HH22  ARG  52          2HH2      ARG  52   7.542   3.392   5.686
  380    H    CYS  53           H        CYS  53   5.585  -5.694   1.679
  381    HA   CYS  53           HA       CYS  53   6.441  -6.554   4.310
  382    HB2  CYS  53           1HB      CYS  53   4.591  -7.625   2.216
  383    HB3  CYS  53           2HB      CYS  53   5.202  -8.716   3.455
  384    H    GLN  54           H        GLN  54   6.775  -7.803   0.986
  385    HA   GLN  54           HA       GLN  54   8.482  -9.911   1.495
  386    HB2  GLN  54           1HB      GLN  54   8.309  -8.082  -0.898
  387    HB3  GLN  54           2HB      GLN  54   9.321  -9.520  -0.864
  388    HG2  GLN  54           1HG      GLN  54   6.529  -9.959  -0.083
  389    HG3  GLN  54           2HG      GLN  54   6.768  -9.448  -1.753
  390   HE21  GLN  54          1HE2      GLN  54   6.820 -11.105  -3.074
  391   HE22  GLN  54          2HE2      GLN  54   7.542 -12.643  -2.761
  392    H    ASP  55           H        ASP  55   9.177  -6.496   1.366
  393    HA   ASP  55           HA       ASP  55  12.053  -6.962   1.498
  394    HB2  ASP  55           1HB      ASP  55  10.722  -5.045   0.208
  395    HB3  ASP  55           2HB      ASP  55  10.900  -4.228   1.758
  396    H    GLN  56           H        GLN  56   9.618  -5.162   3.385
  397    HA   GLN  56           HA       GLN  56   9.503  -4.616   5.590
  398    HB2  GLN  56           1HB      GLN  56   9.538  -7.156   5.689
  399    HB3  GLN  56           2HB      GLN  56  11.246  -7.026   6.088
  400    HG2  GLN  56           1HG      GLN  56  10.844  -6.198   8.172
  401    HG3  GLN  56           2HG      GLN  56   9.310  -5.465   7.707
  402   HE21  GLN  56          1HE2      GLN  56   7.498  -6.491   8.217
  403   HE22  GLN  56          2HE2      GLN  56   7.392  -8.115   8.796
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -3.314   8.167  18.644
    2    HA2  GLY   1           1HA      GLY   1  -6.089   8.629  19.065
    3    HA3  GLY   1           2HA      GLY   1  -5.391   7.399  18.022
    4    H    SER   2           H        SER   2  -5.840   5.380  18.564
    5    HA   SER   2           HA       SER   2  -5.703   4.438  21.256
    6    HB2  SER   2           1HB      SER   2  -8.392   4.894  19.988
    7    HB3  SER   2           2HB      SER   2  -8.161   3.612  21.177
    8    HG   SER   2           HG       SER   2  -7.847   5.068  22.719
    9    H    SER   3           H        SER   3  -4.522   2.697  20.762
   10    HA   SER   3           HA       SER   3  -4.834   1.193  18.369
   11    HB2  SER   3           1HB      SER   3  -3.367  -0.481  19.802
   12    HB3  SER   3           2HB      SER   3  -2.678   1.017  19.176
   13    HG   SER   3           HG       SER   3  -2.161   0.892  21.331
   14    H    GLY   4           H        GLY   4  -6.582  -0.001  17.980
   15    HA2  GLY   4           1HA      GLY   4  -7.253  -2.195  19.684
   16    HA3  GLY   4           2HA      GLY   4  -8.459  -0.919  19.773
   17    H    SER   5           H        SER   5  -9.452  -0.232  17.724
   18    HA   SER   5           HA       SER   5 -10.467  -2.418  16.295
   19    HB2  SER   5           1HB      SER   5 -11.698  -0.854  15.032
   20    HB3  SER   5           2HB      SER   5 -11.469  -0.062  16.591
   21    HG   SER   5           HG       SER   5  -9.754   1.112  15.671
   22    H    SER   6           H        SER   6  -9.800  -3.483  14.540
   23    HA   SER   6           HA       SER   6  -7.221  -2.851  13.416
   24    HB2  SER   6           1HB      SER   6  -9.193  -5.090  12.986
   25    HB3  SER   6           2HB      SER   6  -7.749  -4.921  11.989
   26    HG   SER   6           HG       SER   6  -7.210  -6.242  13.678
   27    H    GLY   7           H        GLY   7  -6.814  -1.800  11.575
   28    HA2  GLY   7           1HA      GLY   7  -8.943  -1.551   9.570
   29    HA3  GLY   7           2HA      GLY   7  -8.237  -0.081  10.224
   30    H    HIS   8           H        HIS   8  -8.255  -1.273   7.477
   31    HA   HIS   8           HA       HIS   8  -5.343  -1.457   7.071
   32    HB2  HIS   8           1HB      HIS   8  -7.659  -2.744   5.686
   33    HB3  HIS   8           2HB      HIS   8  -6.198  -2.410   4.760
   34    HD2  HIS   8           HD2      HIS   8  -5.329  -5.015   4.559
   35    HE1  HIS   8           HE1      HIS   8  -5.072  -5.779   8.724
   36    HE2  HIS   8           HE2      HIS   8  -4.487  -6.605   6.418
   37    H    GLU   9           H        GLU   9  -7.046   0.971   7.305
   38    HA   GLU   9           HA       GLU   9  -7.230   3.022   6.340
   39    HB2  GLU   9           1HB      GLU   9  -5.168   2.118   4.337
   40    HB3  GLU   9           2HB      GLU   9  -5.486   3.752   4.902
   41    HG2  GLU   9           1HG      GLU   9  -4.665   3.128   7.128
   42    HG3  GLU   9           2HG      GLU   9  -4.307   1.510   6.527
   43    H    ASP  10           H        ASP  10  -7.336   4.058   3.920
   44    HA   ASP  10           HA       ASP  10  -8.680   2.334   2.037
   45    HB2  ASP  10           1HB      ASP  10 -10.186   4.409   3.622
   46    HB3  ASP  10           2HB      ASP  10 -10.740   3.860   2.042
   47    H    PHE  11           H        PHE  11  -6.351   4.074   2.091
   48    HA   PHE  11           HA       PHE  11  -6.996   5.657  -0.268
   49    HB2  PHE  11           1HB      PHE  11  -5.458   6.897   2.015
   50    HB3  PHE  11           2HB      PHE  11  -6.027   7.685   0.546
   51    HD1  PHE  11           HD2      PHE  11  -8.544   7.870   0.201
   52    HD2  PHE  11           HD1      PHE  11  -6.762   6.886   3.939
   53    HE1  PHE  11           HE2      PHE  11 -10.612   8.533   1.357
   54    HE2  PHE  11           HE1      PHE  11  -8.827   7.547   5.101
   55    HZ   PHE  11           HZ       PHE  11 -10.755   8.373   3.810
   56    H    CYS  12           H        CYS  12  -5.343   5.798  -1.721
   57    HA   CYS  12           HA       CYS  12  -3.335   3.904  -1.737
   58    HB2  CYS  12           1HB      CYS  12  -4.127   5.158  -3.728
   59    HB3  CYS  12           2HB      CYS  12  -3.272   6.582  -3.143
   60    H    SER  13           H        SER  13  -1.243   3.801  -1.083
   61    HA   SER  13           HA       SER  13  -0.365   5.871   0.781
   62    HB2  SER  13           1HB      SER  13  -0.307   3.150   0.978
   63    HB3  SER  13           2HB      SER  13   1.332   3.486   0.421
   64    HG   SER  13           HG       SER  13   1.128   3.532   2.718
   65    H    VAL  14           H        VAL  14  -0.292   6.553  -1.951
   66    HA   VAL  14           HA       VAL  14   2.541   7.151  -2.213
   67    HB   VAL  14           HB       VAL  14   1.012   5.795  -4.439
   68   HG11  VAL  14          1HG1      VAL  14   2.383   7.332  -5.522
   69   HG12  VAL  14          2HG1      VAL  14   3.682   7.152  -4.340
   70   HG13  VAL  14          3HG1      VAL  14   3.359   5.863  -5.500
   71   HG21  VAL  14          3HG2      VAL  14   1.682   4.126  -2.907
   72   HG22  VAL  14          1HG2      VAL  14   2.887   4.105  -4.195
   73   HG23  VAL  14          2HG2      VAL  14   3.255   4.881  -2.654
   74    H    CYS  15           H        CYS  15  -0.683   7.460  -3.670
   75    HA   CYS  15           HA       CYS  15  -0.014  10.248  -4.356
   76    HB2  CYS  15           1HB      CYS  15  -1.636  10.110  -6.163
   77    HB3  CYS  15           2HB      CYS  15  -0.455   8.814  -6.324
   78    H    ARG  16           H        ARG  16  -2.168   8.125  -2.691
   79    HA   ARG  16           HA       ARG  16  -3.877   8.494  -1.235
   80    HB2  ARG  16           1HB      ARG  16  -3.139  11.417  -1.315
   81    HB3  ARG  16           2HB      ARG  16  -3.936  10.540  -0.016
   82    HG2  ARG  16           1HG      ARG  16  -1.877   9.268   0.376
   83    HG3  ARG  16           2HG      ARG  16  -1.082  10.184  -0.905
   84    HD2  ARG  16           1HD      ARG  16  -0.511  11.104   1.265
   85    HD3  ARG  16           2HD      ARG  16  -1.481  12.256   0.348
   86    HE   ARG  16           HE       ARG  16  -3.213  10.753   1.934
   87   HH11  ARG  16          1HH1      ARG  16  -0.640  13.067   2.316
   88   HH12  ARG  16          2HH1      ARG  16  -1.253  13.699   3.808
   89   HH21  ARG  16          1HH2      ARG  16  -4.031  11.577   3.897
   90   HH22  ARG  16          2HH2      ARG  16  -3.182  12.850   4.707
   91    H    LYS  17           H        LYS  17  -5.283   7.959  -3.040
   92    HA   LYS  17           HA       LYS  17  -7.090  10.177  -3.645
   93    HB2  LYS  17           1HB      LYS  17  -5.569   8.558  -5.628
   94    HB3  LYS  17           2HB      LYS  17  -7.236   8.964  -6.016
   95    HG2  LYS  17           1HG      LYS  17  -6.793  11.268  -6.003
   96    HG3  LYS  17           2HG      LYS  17  -5.244  11.049  -5.185
   97    HD2  LYS  17           1HD      LYS  17  -4.475  11.331  -7.307
   98    HD3  LYS  17           2HD      LYS  17  -4.757   9.589  -7.359
   99    HE2  LYS  17           1HE      LYS  17  -7.206  10.803  -8.005
  100    HE3  LYS  17           2HE      LYS  17  -5.973  11.683  -8.906
  101    HZ1  LYS  17           3HZ      LYS  17  -6.783   9.822 -10.185
  102    HZ2  LYS  17           1HZ      LYS  17  -6.398   8.743  -8.939
  103    HZ3  LYS  17           2HZ      LYS  17  -5.166   9.556  -9.766
  104    H    SER  18           H        SER  18  -9.230   9.516  -4.208
  105    HA   SER  18           HA       SER  18 -10.078   7.183  -2.797
  106    HB2  SER  18           1HB      SER  18 -12.281   7.919  -3.193
  107    HB3  SER  18           2HB      SER  18 -11.344   9.410  -3.087
  108    HG   SER  18           HG       SER  18 -12.034   9.836  -5.012
  109    H    GLY  19           H        GLY  19 -11.923   5.851  -4.025
  110    HA2  GLY  19           1HA      GLY  19 -12.488   4.831  -6.169
  111    HA3  GLY  19           2HA      GLY  19 -10.795   4.984  -6.613
  112    H    GLN  20           H        GLN  20 -10.698   2.757  -7.098
  113    HA   GLN  20           HA       GLN  20 -11.137   0.868  -4.928
  114    HB2  GLN  20           1HB      GLN  20 -10.424   0.538  -7.838
  115    HB3  GLN  20           2HB      GLN  20 -10.445  -0.813  -6.712
  116    HG2  GLN  20           1HG      GLN  20 -12.583  -1.061  -7.230
  117    HG3  GLN  20           2HG      GLN  20 -12.886   0.412  -6.310
  118   HE21  GLN  20          1HE2      GLN  20 -12.079  -0.781  -9.531
  119   HE22  GLN  20          2HE2      GLN  20 -12.864   0.492 -10.396
  120    H    LEU  21           H        LEU  21  -9.577  -0.038  -3.729
  121    HA   LEU  21           HA       LEU  21  -6.780   0.344  -4.557
  122    HB2  LEU  21           1HB      LEU  21  -8.137   1.205  -2.099
  123    HB3  LEU  21           2HB      LEU  21  -6.605   0.372  -1.846
  124    HG   LEU  21           HG       LEU  21  -6.684   2.611  -3.806
  125   HD11  LEU  21          1HD1      LEU  21  -6.693   4.304  -2.251
  126   HD12  LEU  21          2HD1      LEU  21  -6.258   3.233  -0.920
  127   HD13  LEU  21          3HD1      LEU  21  -7.896   3.206  -1.573
  128   HD21  LEU  21          3HD2      LEU  21  -4.722   0.980  -2.919
  129   HD22  LEU  21          1HD2      LEU  21  -4.559   2.325  -1.789
  130   HD23  LEU  21          2HD2      LEU  21  -4.449   2.615  -3.525
  131    H    LEU  22           H        LEU  22  -5.325  -1.271  -3.941
  132    HA   LEU  22           HA       LEU  22  -6.542  -3.863  -3.522
  133    HB2  LEU  22           1HB      LEU  22  -4.549  -3.182  -5.084
  134    HB3  LEU  22           2HB      LEU  22  -3.592  -3.434  -3.626
  135    HG   LEU  22           HG       LEU  22  -4.419  -5.757  -3.520
  136   HD11  LEU  22          1HD1      LEU  22  -6.084  -4.793  -5.742
  137   HD12  LEU  22          2HD1      LEU  22  -6.381  -6.074  -4.567
  138   HD13  LEU  22          3HD1      LEU  22  -5.362  -6.386  -5.971
  139   HD21  LEU  22          3HD2      LEU  22  -3.347  -5.494  -6.272
  140   HD22  LEU  22          1HD2      LEU  22  -2.824  -6.529  -4.943
  141   HD23  LEU  22          2HD2      LEU  22  -2.387  -4.820  -4.954
  142    H    MET  23           H        MET  23  -5.891  -5.344  -1.873
  143    HA   MET  23           HA       MET  23  -4.901  -4.014   0.564
  144    HB2  MET  23           1HB      MET  23  -6.966  -6.202   0.289
  145    HB3  MET  23           2HB      MET  23  -6.284  -5.681   1.823
  146    HG2  MET  23           1HG      MET  23  -7.150  -3.336   0.626
  147    HG3  MET  23           2HG      MET  23  -8.404  -4.515   0.249
  148    HE1  MET  23           3HE      MET  23  -8.284  -1.882   1.727
  149    HE2  MET  23           1HE      MET  23  -9.789  -2.278   2.556
  150    HE3  MET  23           2HE      MET  23  -8.343  -1.900   3.491
  151    H    CYS  24           H        CYS  24  -3.491  -5.151   1.899
  152    HA   CYS  24           HA       CYS  24  -1.989  -7.242   0.547
  153    HB2  CYS  24           1HB      CYS  24  -0.777  -5.367   1.578
  154    HB3  CYS  24           2HB      CYS  24  -1.441  -5.800   3.150
  155    H    ASP  25           H        ASP  25  -1.621  -9.295   1.364
  156    HA   ASP  25           HA       ASP  25  -3.652 -10.236   3.244
  157    HB2  ASP  25           1HB      ASP  25  -3.034 -11.281   0.896
  158    HB3  ASP  25           2HB      ASP  25  -1.777 -12.087   1.832
  159    H    THR  26           H        THR  26  -1.639  -8.753   4.429
  160    HA   THR  26           HA       THR  26  -0.641 -10.644   6.343
  161    HB   THR  26           HB       THR  26   1.696  -9.166   5.633
  162    HG1  THR  26           HG1      THR  26   1.869  -9.465   3.528
  163   HG21  THR  26          3HG2      THR  26   2.384 -11.663   5.070
  164   HG22  THR  26          1HG2      THR  26   0.861 -12.011   5.886
  165   HG23  THR  26          2HG2      THR  26   2.132 -11.127   6.731
  166    H    CYS  27           H        CYS  27   0.398  -7.417   5.230
  167    HA   CYS  27           HA       CYS  27   0.201  -6.423   7.955
  168    HB2  CYS  27           1HB      CYS  27   1.347  -4.467   7.157
  169    HB3  CYS  27           2HB      CYS  27   2.153  -5.879   6.482
  170    H    SER  28           H        SER  28  -0.461  -3.809   7.646
  171    HA   SER  28           HA       SER  28  -3.226  -3.923   6.630
  172    HB2  SER  28           1HB      SER  28  -3.747  -2.235   8.431
  173    HB3  SER  28           2HB      SER  28  -3.314  -3.837   9.027
  174    HG   SER  28           HG       SER  28  -2.153  -1.503   9.564
  175    H    ARG  29           H        ARG  29  -2.179  -3.161   4.613
  176    HA   ARG  29           HA       ARG  29  -2.250  -0.256   4.527
  177    HB2  ARG  29           1HB      ARG  29   0.105  -1.774   3.394
  178    HB3  ARG  29           2HB      ARG  29  -0.143  -0.034   3.355
  179    HG2  ARG  29           1HG      ARG  29  -0.028  -0.009   5.830
  180    HG3  ARG  29           2HG      ARG  29   0.359  -1.731   5.789
  181    HD2  ARG  29           1HD      ARG  29   2.440  -0.677   5.943
  182    HD3  ARG  29           2HD      ARG  29   2.280  -1.072   4.233
  183    HE   ARG  29           HE       ARG  29   2.312   1.161   3.763
  184   HH11  ARG  29          1HH1      ARG  29   1.542   0.735   7.131
  185   HH12  ARG  29          2HH1      ARG  29   1.605   2.427   7.494
  186   HH21  ARG  29          1HH2      ARG  29   2.398   3.393   4.229
  187   HH22  ARG  29          2HH2      ARG  29   2.092   3.938   5.843
  188    H    VAL  30           H        VAL  30  -2.648   0.589   2.438
  189    HA   VAL  30           HA       VAL  30  -3.516  -1.430   0.471
  190    HB   VAL  30           HB       VAL  30  -5.263   0.113  -0.258
  191   HG11  VAL  30          1HG1      VAL  30  -6.394  -1.158   1.193
  192   HG12  VAL  30          2HG1      VAL  30  -5.129  -1.046   2.417
  193   HG13  VAL  30          3HG1      VAL  30  -6.326   0.240   2.265
  194   HG21  VAL  30          3HG2      VAL  30  -4.107   2.206   0.336
  195   HG22  VAL  30          1HG2      VAL  30  -5.755   2.152   0.960
  196   HG23  VAL  30          2HG2      VAL  30  -4.394   1.862   2.042
  197    H    TYR  31           H        TYR  31  -3.170  -0.998  -1.715
  198    HA   TYR  31           HA       TYR  31  -1.713   1.418  -2.446
  199    HB2  TYR  31           1HB      TYR  31  -0.599  -1.334  -3.022
  200    HB3  TYR  31           2HB      TYR  31   0.115   0.205  -3.492
  201    HD1  TYR  31           HD1      TYR  31   1.078   1.699  -1.757
  202    HD2  TYR  31           HD2      TYR  31  -0.291  -2.222  -0.832
  203    HE1  TYR  31           HE1      TYR  31   2.344   1.760   0.351
  204    HE2  TYR  31           HE2      TYR  31   0.971  -2.171   1.279
  205    HH   TYR  31           HH       TYR  31   2.802  -1.042   2.302
  206    H    HIS  32           H        HIS  32  -2.173   2.101  -4.462
  207    HA   HIS  32           HA       HIS  32  -4.339   1.062  -5.875
  208    HB2  HIS  32           1HB      HIS  32  -2.214   3.067  -6.455
  209    HB3  HIS  32           2HB      HIS  32  -3.169   2.475  -7.811
  210    HD2  HIS  32           HD2      HIS  32  -6.009   2.409  -5.885
  211    HE1  HIS  32           HE1      HIS  32  -5.373   6.602  -5.987
  212    HE2  HIS  32           HE2      HIS  32  -7.000   4.757  -5.446
  213    H    LEU  33           H        LEU  33  -3.986   0.665  -8.413
  214    HA   LEU  33           HA       LEU  33  -2.439  -1.798  -8.541
  215    HB2  LEU  33           1HB      LEU  33  -4.601  -0.564 -10.188
  216    HB3  LEU  33           2HB      LEU  33  -3.573  -1.807 -10.899
  217    HG   LEU  33           HG       LEU  33  -5.289  -2.148  -8.440
  218   HD11  LEU  33          1HD1      LEU  33  -5.755  -3.611 -10.982
  219   HD12  LEU  33          2HD1      LEU  33  -6.292  -1.935 -10.875
  220   HD13  LEU  33          3HD1      LEU  33  -6.895  -3.129  -9.725
  221   HD21  LEU  33          3HD2      LEU  33  -4.646  -4.633  -9.371
  222   HD22  LEU  33          1HD2      LEU  33  -3.851  -3.812  -8.027
  223   HD23  LEU  33          2HD2      LEU  33  -3.150  -3.738  -9.644
  224    H    ASP  34           H        ASP  34  -2.340   1.457  -9.703
  225    HA   ASP  34           HA       ASP  34  -0.191   0.796 -11.589
  226    HB2  ASP  34           1HB      ASP  34  -2.045   3.131 -11.289
  227    HB3  ASP  34           2HB      ASP  34  -0.506   3.346 -12.117
  228    H    CYS  35           H        CYS  35  -0.785   2.168  -8.506
  229    HA   CYS  35           HA       CYS  35   1.823   3.496  -8.440
  230    HB2  CYS  35           1HB      CYS  35  -0.260   3.442  -6.254
  231    HB3  CYS  35           2HB      CYS  35   1.096   4.553  -6.420
  232    H    LEU  36           H        LEU  36   2.413   0.993  -8.681
  233    HA   LEU  36           HA       LEU  36   2.960   0.015  -5.955
  234    HB2  LEU  36           1HB      LEU  36   2.244  -1.463  -8.458
  235    HB3  LEU  36           2HB      LEU  36   3.159  -2.256  -7.178
  236    HG   LEU  36           HG       LEU  36   0.395  -1.074  -6.906
  237   HD11  LEU  36          1HD1      LEU  36   1.329  -3.628  -7.828
  238   HD12  LEU  36          2HD1      LEU  36  -0.318  -3.007  -7.725
  239   HD13  LEU  36          3HD1      LEU  36   0.409  -3.813  -6.335
  240   HD21  LEU  36          3HD2      LEU  36   1.422  -0.853  -4.804
  241   HD22  LEU  36          1HD2      LEU  36   2.247  -2.405  -4.950
  242   HD23  LEU  36          2HD2      LEU  36   0.501  -2.355  -4.709
  243    H    ASP  37           H        ASP  37   4.835  -1.778  -6.234
  244    HA   ASP  37           HA       ASP  37   6.909  -0.862  -8.053
  245    HB2  ASP  37           1HB      ASP  37   7.002   0.515  -5.886
  246    HB3  ASP  37           2HB      ASP  37   7.536  -0.973  -5.108
  247    HA   PRO  38           HA       PRO  38   7.485  -1.780  -9.591
  248    HB2  PRO  38           1HB      PRO  38   6.705  -3.684 -11.362
  249    HB3  PRO  38           2HB      PRO  38   8.378  -3.501 -10.823
  250    HG2  PRO  38           1HG      PRO  38   6.288  -5.429  -9.889
  251    HG3  PRO  38           2HG      PRO  38   8.003  -5.719 -10.233
  252    HD2  PRO  38           1HD      PRO  38   7.057  -5.399  -7.717
  253    HD3  PRO  38           2HD      PRO  38   8.684  -4.877  -8.199
  254    HA   PRO  39           HA       PRO  39   3.225  -0.785 -10.037
  255    HB2  PRO  39           1HB      PRO  39   3.019  -0.179 -12.676
  256    HB3  PRO  39           2HB      PRO  39   3.851   0.861 -11.513
  257    HG2  PRO  39           1HG      PRO  39   4.998  -1.121 -13.441
  258    HG3  PRO  39           2HG      PRO  39   5.566   0.511 -13.044
  259    HD2  PRO  39           1HD      PRO  39   6.698  -1.718 -12.004
  260    HD3  PRO  39           2HD      PRO  39   6.610  -0.186 -11.111
  261    H    LEU  40           H        LEU  40   1.199  -1.525 -10.758
  262    HA   LEU  40           HA       LEU  40   1.264  -4.117 -12.159
  263    HB2  LEU  40           1HB      LEU  40  -0.052  -3.245  -9.692
  264    HB3  LEU  40           2HB      LEU  40  -1.108  -4.114 -10.805
  265    HG   LEU  40           HG       LEU  40   1.481  -5.147  -9.646
  266   HD11  LEU  40          1HD1      LEU  40  -1.029  -6.546  -9.098
  267   HD12  LEU  40          2HD1      LEU  40  -0.927  -4.936  -8.386
  268   HD13  LEU  40          3HD1      LEU  40   0.308  -6.141  -8.021
  269   HD21  LEU  40          3HD2      LEU  40   1.397  -6.298 -11.612
  270   HD22  LEU  40          1HD2      LEU  40  -0.353  -6.140 -11.761
  271   HD23  LEU  40          2HD2      LEU  40   0.334  -7.317 -10.641
  272    H    LYS  41           H        LYS  41  -1.150  -4.618 -12.913
  273    HA   LYS  41           HA       LYS  41  -2.326  -2.225 -14.127
  274    HB2  LYS  41           1HB      LYS  41  -0.799  -3.141 -15.804
  275    HB3  LYS  41           2HB      LYS  41  -1.557  -4.721 -15.653
  276    HG2  LYS  41           1HG      LYS  41  -3.704  -3.625 -16.398
  277    HG3  LYS  41           2HG      LYS  41  -2.734  -2.206 -16.800
  278    HD2  LYS  41           1HD      LYS  41  -1.339  -3.646 -18.269
  279    HD3  LYS  41           2HD      LYS  41  -2.440  -4.986 -17.938
  280    HE2  LYS  41           1HE      LYS  41  -4.057  -2.828 -18.705
  281    HE3  LYS  41           2HE      LYS  41  -2.696  -2.830 -19.825
  282    HZ1  LYS  41           3HZ      LYS  41  -4.724  -4.240 -20.402
  283    HZ2  LYS  41           1HZ      LYS  41  -4.173  -5.313 -19.216
  284    HZ3  LYS  41           2HZ      LYS  41  -3.202  -4.961 -20.555
  285    H    THR  42           H        THR  42  -2.797  -5.738 -14.477
  286    HA   THR  42           HA       THR  42  -5.649  -5.366 -13.977
  287    HB   THR  42           HB       THR  42  -5.981  -7.569 -14.846
  288    HG1  THR  42           HG1      THR  42  -3.150  -7.812 -14.648
  289   HG21  THR  42          3HG2      THR  42  -4.986  -7.400 -17.070
  290   HG22  THR  42          1HG2      THR  42  -3.829  -6.210 -16.474
  291   HG23  THR  42          2HG2      THR  42  -5.549  -5.822 -16.518
  292    H    ILE  43           H        ILE  43  -6.455  -7.710 -12.934
  293    HA   ILE  43           HA       ILE  43  -5.779  -7.434 -10.179
  294    HB   ILE  43           HB       ILE  43  -7.393  -9.590 -11.546
  295   HG12  ILE  43          1HG1      ILE  43  -8.773  -7.580  -9.918
  296   HG13  ILE  43          2HG1      ILE  43  -7.981  -6.909 -11.339
  297   HG21  ILE  43          1HG2      ILE  43  -7.445 -10.618  -9.582
  298   HG22  ILE  43          2HG2      ILE  43  -6.453  -9.352  -8.861
  299   HG23  ILE  43          3HG2      ILE  43  -8.209  -9.193  -8.879
  300   HD11  ILE  43          3HD1      ILE  43 -10.390  -7.607 -11.603
  301   HD12  ILE  43          1HD1      ILE  43  -9.256  -8.237 -12.798
  302   HD13  ILE  43          2HD1      ILE  43  -9.821  -9.272 -11.486
  303    HA   PRO  44           HA       PRO  44  -2.224 -10.148 -10.432
  304    HB2  PRO  44           1HB      PRO  44  -1.474  -9.804  -7.845
  305    HB3  PRO  44           2HB      PRO  44  -1.136  -8.616  -9.110
  306    HG2  PRO  44           1HG      PRO  44  -3.320  -8.635  -7.063
  307    HG3  PRO  44           2HG      PRO  44  -2.307  -7.285  -7.604
  308    HD2  PRO  44           1HD      PRO  44  -4.837  -7.655  -8.494
  309    HD3  PRO  44           2HD      PRO  44  -3.566  -6.937  -9.504
  310    H    LYS  45           H        LYS  45  -3.629 -12.011 -10.695
  311    HA   LYS  45           HA       LYS  45  -5.072 -13.299  -8.727
  312    HB2  LYS  45           1HB      LYS  45  -3.982 -13.970 -11.314
  313    HB3  LYS  45           2HB      LYS  45  -3.852 -15.343 -10.222
  314    HG2  LYS  45           1HG      LYS  45  -5.986 -15.808 -10.547
  315    HG3  LYS  45           2HG      LYS  45  -6.437 -14.227  -9.904
  316    HD2  LYS  45           1HD      LYS  45  -7.369 -14.184 -12.024
  317    HD3  LYS  45           2HD      LYS  45  -5.824 -13.371 -12.277
  318    HE2  LYS  45           1HE      LYS  45  -5.305 -14.871 -13.828
  319    HE3  LYS  45           2HE      LYS  45  -5.382 -16.143 -12.610
  320    HZ1  LYS  45           3HZ      LYS  45  -6.852 -16.596 -14.477
  321    HZ2  LYS  45           1HZ      LYS  45  -7.683 -15.148 -14.202
  322    HZ3  LYS  45           2HZ      LYS  45  -7.738 -16.386 -13.052
  323    H    GLY  46           H        GLY  46  -4.573 -15.231  -7.474
  324    HA2  GLY  46           1HA      GLY  46  -3.233 -16.557  -6.130
  325    HA3  GLY  46           2HA      GLY  46  -1.823 -15.892  -6.942
  326    H    MET  47           H        MET  47  -1.957 -16.367  -4.173
  327    HA   MET  47           HA       MET  47  -2.682 -14.251  -2.558
  328    HB2  MET  47           1HB      MET  47  -1.916 -16.331  -1.610
  329    HB3  MET  47           2HB      MET  47  -0.321 -16.119  -2.317
  330    HG2  MET  47           1HG      MET  47   0.309 -14.548  -0.775
  331    HG3  MET  47           2HG      MET  47  -1.348 -14.049  -0.446
  332    HE1  MET  47           3HE      MET  47  -0.390 -15.060   2.999
  333    HE2  MET  47           1HE      MET  47   1.121 -15.192   2.099
  334    HE3  MET  47           2HE      MET  47  -0.011 -13.889   1.734
  335    H    TRP  48           H        TRP  48  -2.278 -12.189  -3.114
  336    HA   TRP  48           HA       TRP  48   0.384 -11.441  -4.054
  337    HB2  TRP  48           1HB      TRP  48  -1.611 -10.603  -5.265
  338    HB3  TRP  48           2HB      TRP  48  -2.115  -9.753  -3.807
  339    HD1  TRP  48           HD1      TRP  48   0.539  -9.633  -6.574
  340    HE1  TRP  48           HE1      TRP  48   1.598  -7.287  -6.588
  341    HE3  TRP  48           HE3      TRP  48  -1.645  -7.730  -2.361
  342    HZ2  TRP  48           HZ2      TRP  48   1.518  -4.940  -5.021
  343    HZ3  TRP  48           HZ3      TRP  48  -1.100  -5.427  -1.687
  344    HH2  TRP  48           HH2      TRP  48   0.450  -4.063  -2.991
  345    H    ILE  49           H        ILE  49   1.684  -9.923  -3.026
  346    HA   ILE  49           HA       ILE  49   0.848  -8.989  -0.379
  347    HB   ILE  49           HB       ILE  49   3.463 -10.413  -0.888
  348   HG12  ILE  49          1HG1      ILE  49   1.077 -11.208   0.795
  349   HG13  ILE  49          2HG1      ILE  49   1.547 -11.947  -0.732
  350   HG21  ILE  49          1HG2      ILE  49   3.818 -10.127   1.535
  351   HG22  ILE  49          2HG2      ILE  49   3.751  -8.591   0.672
  352   HG23  ILE  49          3HG2      ILE  49   2.361  -9.137   1.610
  353   HD11  ILE  49          3HD1      ILE  49   2.600 -12.353   1.964
  354   HD12  ILE  49          1HD1      ILE  49   2.575 -13.437   0.574
  355   HD13  ILE  49          2HD1      ILE  49   3.829 -12.204   0.709
  356    H    CYS  50           H        CYS  50   1.408  -6.938  -0.004
  357    HA   CYS  50           HA       CYS  50   2.430  -5.256  -1.938
  358    HB2  CYS  50           1HB      CYS  50   2.565  -3.569  -0.253
  359    HB3  CYS  50           2HB      CYS  50   1.194  -4.594   0.161
  360    HA   PRO  51           HA       PRO  51   6.789  -5.766  -2.006
  361    HB2  PRO  51           1HB      PRO  51   7.601  -3.235  -2.557
  362    HB3  PRO  51           2HB      PRO  51   6.814  -4.273  -3.752
  363    HG2  PRO  51           1HG      PRO  51   5.641  -2.090  -2.073
  364    HG3  PRO  51           2HG      PRO  51   5.375  -2.447  -3.790
  365    HD2  PRO  51           1HD      PRO  51   3.619  -3.173  -1.860
  366    HD3  PRO  51           2HD      PRO  51   3.868  -4.131  -3.334
  367    H    ARG  52           H        ARG  52   5.271  -3.750   0.299
  368    HA   ARG  52           HA       ARG  52   7.659  -2.910   1.660
  369    HB2  ARG  52           1HB      ARG  52   4.793  -2.460   1.897
  370    HB3  ARG  52           2HB      ARG  52   5.557  -2.689   3.464
  371    HG2  ARG  52           1HG      ARG  52   6.877  -0.841   1.564
  372    HG3  ARG  52           2HG      ARG  52   5.366  -0.314   2.306
  373    HD2  ARG  52           1HD      ARG  52   7.465  -1.498   4.050
  374    HD3  ARG  52           2HD      ARG  52   7.705   0.141   3.447
  375    HE   ARG  52           HE       ARG  52   5.120  -0.285   4.624
  376   HH11  ARG  52          1HH1      ARG  52   8.447   0.530   5.246
  377   HH12  ARG  52          2HH1      ARG  52   8.101   1.375   6.718
  378   HH21  ARG  52          1HH2      ARG  52   4.652   0.826   6.560
  379   HH22  ARG  52          2HH2      ARG  52   5.942   1.543   7.465
  380    H    CYS  53           H        CYS  53   5.578  -5.668   1.728
  381    HA   CYS  53           HA       CYS  53   6.497  -6.567   4.326
  382    HB2  CYS  53           1HB      CYS  53   4.556  -7.587   2.287
  383    HB3  CYS  53           2HB      CYS  53   5.177  -8.690   3.510
  384    H    GLN  54           H        GLN  54   6.717  -7.742   0.969
  385    HA   GLN  54           HA       GLN  54   8.362  -9.918   1.376
  386    HB2  GLN  54           1HB      GLN  54   8.475  -8.027  -0.979
  387    HB3  GLN  54           2HB      GLN  54   9.030  -9.696  -0.955
  388    HG2  GLN  54           1HG      GLN  54   6.446  -9.975  -0.163
  389    HG3  GLN  54           2HG      GLN  54   6.334  -8.609  -1.272
  390   HE21  GLN  54          1HE2      GLN  54   5.796  -9.220  -3.229
  391   HE22  GLN  54          2HE2      GLN  54   6.302 -10.666  -4.027
  392    H    ASP  55           H        ASP  55   9.166  -6.526   1.355
  393    HA   ASP  55           HA       ASP  55  11.833  -7.173   2.331
  394    HB2  ASP  55           1HB      ASP  55  11.291  -6.093  -0.321
  395    HB3  ASP  55           2HB      ASP  55  12.350  -5.046   0.621
  396    H    GLN  56           H        GLN  56  11.503  -6.283   4.303
  397    HA   GLN  56           HA       GLN  56  10.030  -3.985   4.876
  398    HB2  GLN  56           1HB      GLN  56  10.620  -5.527   6.629
  399    HB3  GLN  56           2HB      GLN  56  12.336  -5.250   6.360
  400    HG2  GLN  56           1HG      GLN  56  12.231  -3.077   7.261
  401    HG3  GLN  56           2HG      GLN  56  10.469  -3.064   7.219
  402   HE21  GLN  56          1HE2      GLN  56  13.292  -4.259   8.861
  403   HE22  GLN  56          2HE2      GLN  56  12.485  -4.777  10.298
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -13.233  11.269  20.570
    2    HA2  GLY   1           1HA      GLY   1 -11.192  10.847  22.096
    3    HA3  GLY   1           2HA      GLY   1 -11.535   9.631  20.874
    4    H    SER   2           H        SER   2  -9.963   9.131  19.491
    5    HA   SER   2           HA       SER   2  -8.074  11.028  18.511
    6    HB2  SER   2           1HB      SER   2  -6.098   9.613  19.499
    7    HB3  SER   2           2HB      SER   2  -6.841  10.881  20.474
    8    HG   SER   2           HG       SER   2  -6.592   8.361  21.105
    9    H    SER   3           H        SER   3  -7.988   7.544  19.273
   10    HA   SER   3           HA       SER   3  -7.888   7.003  16.381
   11    HB2  SER   3           1HB      SER   3  -5.913   6.358  18.422
   12    HB3  SER   3           2HB      SER   3  -6.469   4.921  17.565
   13    HG   SER   3           HG       SER   3  -4.730   5.856  16.469
   14    H    GLY   4           H        GLY   4  -8.656   4.893  15.745
   15    HA2  GLY   4           1HA      GLY   4 -10.317   3.539  17.764
   16    HA3  GLY   4           2HA      GLY   4 -11.041   4.057  16.249
   17    H    SER   5           H        SER   5 -11.066   1.402  17.100
   18    HA   SER   5           HA       SER   5  -8.977   0.027  15.607
   19    HB2  SER   5           1HB      SER   5  -9.455  -1.024  17.675
   20    HB3  SER   5           2HB      SER   5 -11.197  -0.912  17.421
   21    HG   SER   5           HG       SER   5  -9.415  -2.805  16.558
   22    H    SER   6           H        SER   6  -9.782   1.021  13.575
   23    HA   SER   6           HA       SER   6 -12.293   0.028  12.536
   24    HB2  SER   6           1HB      SER   6 -10.135   1.825  11.452
   25    HB3  SER   6           2HB      SER   6 -11.419   1.213  10.410
   26    HG   SER   6           HG       SER   6 -11.801   3.305  11.461
   27    H    GLY   7           H        GLY   7  -8.963  -0.085  11.248
   28    HA2  GLY   7           1HA      GLY   7  -8.373  -2.658  11.033
   29    HA3  GLY   7           2HA      GLY   7  -9.638  -2.540   9.819
   30    H    HIS   8           H        HIS   8  -8.928  -2.267   7.822
   31    HA   HIS   8           HA       HIS   8  -6.205  -1.351   7.376
   32    HB2  HIS   8           1HB      HIS   8  -8.304  -2.562   5.581
   33    HB3  HIS   8           2HB      HIS   8  -6.785  -1.927   4.955
   34    HD2  HIS   8           HD2      HIS   8  -5.248  -4.091   4.464
   35    HE1  HIS   8           HE1      HIS   8  -6.120  -6.267   8.000
   36    HE2  HIS   8           HE2      HIS   8  -4.712  -6.165   5.915
   37    H    GLU   9           H        GLU   9  -5.675   0.329   5.883
   38    HA   GLU   9           HA       GLU   9  -7.170   2.683   6.233
   39    HB2  GLU   9           1HB      GLU   9  -5.161   2.233   4.031
   40    HB3  GLU   9           2HB      GLU   9  -5.575   3.747   4.824
   41    HG2  GLU   9           1HG      GLU   9  -4.677   2.663   6.957
   42    HG3  GLU   9           2HG      GLU   9  -3.964   1.458   5.886
   43    H    ASP  10           H        ASP  10  -7.383   4.008   3.904
   44    HA   ASP  10           HA       ASP  10  -8.876   2.411   1.994
   45    HB2  ASP  10           1HB      ASP  10 -10.240   4.771   3.289
   46    HB3  ASP  10           2HB      ASP  10 -10.940   3.575   2.201
   47    H    PHE  11           H        PHE  11  -6.447   4.124   2.101
   48    HA   PHE  11           HA       PHE  11  -7.065   5.716  -0.260
   49    HB2  PHE  11           1HB      PHE  11  -5.525   6.942   2.028
   50    HB3  PHE  11           2HB      PHE  11  -6.098   7.737   0.565
   51    HD1  PHE  11           HD1      PHE  11  -8.574   8.036   0.242
   52    HD2  PHE  11           HD2      PHE  11  -6.863   6.820   3.945
   53    HE1  PHE  11           HE1      PHE  11 -10.636   8.700   1.409
   54    HE2  PHE  11           HE2      PHE  11  -8.923   7.481   5.117
   55    HZ   PHE  11           HZ       PHE  11 -10.813   8.422   3.850
   56    H    CYS  12           H        CYS  12  -5.389   5.878  -1.693
   57    HA   CYS  12           HA       CYS  12  -3.402   3.960  -1.714
   58    HB2  CYS  12           1HB      CYS  12  -4.169   5.258  -3.693
   59    HB3  CYS  12           2HB      CYS  12  -3.286   6.654  -3.085
   60    H    SER  13           H        SER  13  -1.322   3.825  -1.034
   61    HA   SER  13           HA       SER  13  -0.439   5.869   0.857
   62    HB2  SER  13           1HB      SER  13   0.289   2.997   0.379
   63    HB3  SER  13           2HB      SER  13   1.394   4.048   1.266
   64    HG   SER  13           HG       SER  13   0.031   3.088   2.740
   65    H    VAL  14           H        VAL  14  -0.326   6.565  -1.874
   66    HA   VAL  14           HA       VAL  14   2.517   7.132  -2.096
   67    HB   VAL  14           HB       VAL  14   1.002   5.805  -4.348
   68   HG11  VAL  14          1HG1      VAL  14   2.401   6.935  -5.667
   69   HG12  VAL  14          2HG1      VAL  14   3.375   7.482  -4.301
   70   HG13  VAL  14          3HG1      VAL  14   3.675   5.900  -5.023
   71   HG21  VAL  14          3HG2      VAL  14   3.337   4.844  -2.696
   72   HG22  VAL  14          1HG2      VAL  14   1.690   4.213  -2.648
   73   HG23  VAL  14          2HG2      VAL  14   2.670   4.014  -4.101
   74    H    CYS  15           H        CYS  15  -0.683   7.485  -3.595
   75    HA   CYS  15           HA       CYS  15   0.025  10.268  -4.257
   76    HB2  CYS  15           1HB      CYS  15  -1.561  10.160  -6.091
   77    HB3  CYS  15           2HB      CYS  15  -0.410   8.836  -6.234
   78    H    ARG  16           H        ARG  16  -2.155   8.168  -2.608
   79    HA   ARG  16           HA       ARG  16  -3.902   8.540  -1.201
   80    HB2  ARG  16           1HB      ARG  16  -2.924  11.401  -1.213
   81    HB3  ARG  16           2HB      ARG  16  -3.992  10.672  -0.022
   82    HG2  ARG  16           1HG      ARG  16  -1.441   9.276  -0.381
   83    HG3  ARG  16           2HG      ARG  16  -1.307  10.920   0.247
   84    HD2  ARG  16           1HD      ARG  16  -2.679  10.423   2.107
   85    HD3  ARG  16           2HD      ARG  16  -3.209   8.897   1.399
   86    HE   ARG  16           HE       ARG  16  -0.399   8.912   1.777
   87   HH11  ARG  16          1HH1      ARG  16  -3.411   8.615   3.497
   88   HH12  ARG  16          2HH1      ARG  16  -2.737   7.659   4.776
   89   HH21  ARG  16          1HH2      ARG  16   0.500   7.654   3.454
   90   HH22  ARG  16          2HH2      ARG  16  -0.512   7.114   4.751
   91    H    LYS  17           H        LYS  17  -5.360   8.089  -2.945
   92    HA   LYS  17           HA       LYS  17  -7.030  10.400  -3.595
   93    HB2  LYS  17           1HB      LYS  17  -5.709   8.571  -5.568
   94    HB3  LYS  17           2HB      LYS  17  -7.277   9.272  -5.946
   95    HG2  LYS  17           1HG      LYS  17  -4.941  10.958  -5.109
   96    HG3  LYS  17           2HG      LYS  17  -5.216  10.493  -6.789
   97    HD2  LYS  17           1HD      LYS  17  -7.461  11.516  -6.671
   98    HD3  LYS  17           2HD      LYS  17  -7.114  12.036  -5.020
   99    HE2  LYS  17           1HE      LYS  17  -5.018  12.817  -6.858
  100    HE3  LYS  17           2HE      LYS  17  -6.588  13.441  -7.359
  101    HZ1  LYS  17           3HZ      LYS  17  -6.772  14.137  -4.896
  102    HZ2  LYS  17           1HZ      LYS  17  -5.824  15.068  -5.943
  103    HZ3  LYS  17           2HZ      LYS  17  -5.088  13.975  -4.883
  104    H    SER  18           H        SER  18  -9.205   9.844  -4.182
  105    HA   SER  18           HA       SER  18 -10.176   7.571  -2.727
  106    HB2  SER  18           1HB      SER  18 -12.157   8.660  -2.735
  107    HB3  SER  18           2HB      SER  18 -11.231  10.021  -3.369
  108    HG   SER  18           HG       SER  18 -12.290   9.826  -5.162
  109    H    GLY  19           H        GLY  19 -11.239   5.758  -3.518
  110    HA2  GLY  19           1HA      GLY  19 -12.249   4.893  -5.735
  111    HA3  GLY  19           2HA      GLY  19 -10.609   5.127  -6.321
  112    H    GLN  20           H        GLN  20 -11.469   2.684  -6.651
  113    HA   GLN  20           HA       GLN  20 -11.296   0.894  -4.504
  114    HB2  GLN  20           1HB      GLN  20 -12.158   0.482  -6.884
  115    HB3  GLN  20           2HB      GLN  20 -10.476   0.212  -7.319
  116    HG2  GLN  20           1HG      GLN  20 -11.721  -1.866  -6.861
  117    HG3  GLN  20           2HG      GLN  20 -10.320  -1.643  -5.814
  118   HE21  GLN  20          1HE2      GLN  20 -13.761  -0.761  -5.859
  119   HE22  GLN  20          2HE2      GLN  20 -14.065  -1.184  -4.212
  120    H    LEU  21           H        LEU  21  -9.641  -0.015  -3.440
  121    HA   LEU  21           HA       LEU  21  -6.924   0.366  -4.501
  122    HB2  LEU  21           1HB      LEU  21  -8.069   1.238  -1.942
  123    HB3  LEU  21           2HB      LEU  21  -6.524   0.400  -1.812
  124    HG   LEU  21           HG       LEU  21  -6.657   2.563  -3.818
  125   HD11  LEU  21          1HD1      LEU  21  -6.370   3.346  -0.945
  126   HD12  LEU  21          2HD1      LEU  21  -7.957   3.312  -1.713
  127   HD13  LEU  21          3HD1      LEU  21  -6.689   4.357  -2.354
  128   HD21  LEU  21          3HD2      LEU  21  -4.677   1.057  -2.878
  129   HD22  LEU  21          1HD2      LEU  21  -4.600   2.361  -1.693
  130   HD23  LEU  21          2HD2      LEU  21  -4.427   2.720  -3.411
  131    H    LEU  22           H        LEU  22  -5.400  -1.229  -3.938
  132    HA   LEU  22           HA       LEU  22  -6.545  -3.840  -3.545
  133    HB2  LEU  22           1HB      LEU  22  -4.502  -3.042  -5.015
  134    HB3  LEU  22           2HB      LEU  22  -3.605  -3.378  -3.536
  135    HG   LEU  22           HG       LEU  22  -4.397  -5.701  -3.595
  136   HD11  LEU  22          1HD1      LEU  22  -5.411  -6.425  -5.838
  137   HD12  LEU  22          2HD1      LEU  22  -5.847  -4.728  -6.030
  138   HD13  LEU  22          3HD1      LEU  22  -6.468  -5.647  -4.660
  139   HD21  LEU  22          3HD2      LEU  22  -3.353  -5.515  -6.308
  140   HD22  LEU  22          1HD2      LEU  22  -2.659  -6.272  -4.874
  141   HD23  LEU  22          2HD2      LEU  22  -2.448  -4.542  -5.148
  142    H    MET  23           H        MET  23  -5.948  -5.330  -1.899
  143    HA   MET  23           HA       MET  23  -4.997  -4.047   0.578
  144    HB2  MET  23           1HB      MET  23  -7.017  -6.283   0.339
  145    HB3  MET  23           2HB      MET  23  -6.471  -5.536   1.834
  146    HG2  MET  23           1HG      MET  23  -7.405  -3.471   0.146
  147    HG3  MET  23           2HG      MET  23  -8.602  -4.764   0.125
  148    HE1  MET  23           3HE      MET  23  -9.975  -2.889   0.762
  149    HE2  MET  23           1HE      MET  23 -10.761  -3.718   2.106
  150    HE3  MET  23           2HE      MET  23 -10.072  -2.112   2.343
  151    H    CYS  24           H        CYS  24  -3.384  -5.022   1.669
  152    HA   CYS  24           HA       CYS  24  -2.013  -7.210   0.402
  153    HB2  CYS  24           1HB      CYS  24  -0.767  -5.350   1.418
  154    HB3  CYS  24           2HB      CYS  24  -1.424  -5.769   2.997
  155    H    ASP  25           H        ASP  25  -1.666  -9.267   1.213
  156    HA   ASP  25           HA       ASP  25  -3.688 -10.182   3.115
  157    HB2  ASP  25           1HB      ASP  25  -2.946 -11.224   0.731
  158    HB3  ASP  25           2HB      ASP  25  -1.907 -12.150   1.809
  159    H    THR  26           H        THR  26  -1.639  -8.725   4.275
  160    HA   THR  26           HA       THR  26  -0.629 -10.644   6.163
  161    HB   THR  26           HB       THR  26   1.678  -9.109   5.412
  162    HG1  THR  26           HG1      THR  26   1.840  -9.494   3.317
  163   HG21  THR  26          3HG2      THR  26   1.047 -12.060   5.402
  164   HG22  THR  26          1HG2      THR  26   1.813 -11.142   6.697
  165   HG23  THR  26          2HG2      THR  26   2.660 -11.387   5.170
  166    H    CYS  27           H        CYS  27   0.338  -7.382   5.084
  167    HA   CYS  27           HA       CYS  27   0.151  -6.440   7.834
  168    HB2  CYS  27           1HB      CYS  27   1.300  -4.467   7.071
  169    HB3  CYS  27           2HB      CYS  27   2.119  -5.873   6.399
  170    H    SER  28           H        SER  28  -0.507  -3.824   7.570
  171    HA   SER  28           HA       SER  28  -3.265  -3.919   6.534
  172    HB2  SER  28           1HB      SER  28  -2.215  -2.427   8.952
  173    HB3  SER  28           2HB      SER  28  -3.869  -2.344   8.345
  174    HG   SER  28           HG       SER  28  -2.523  -4.525   9.525
  175    H    ARG  29           H        ARG  29  -2.053  -3.163   4.548
  176    HA   ARG  29           HA       ARG  29  -2.183  -0.251   4.469
  177    HB2  ARG  29           1HB      ARG  29   0.180  -1.684   3.264
  178    HB3  ARG  29           2HB      ARG  29  -0.051   0.048   3.462
  179    HG2  ARG  29           1HG      ARG  29   0.078  -0.244   5.907
  180    HG3  ARG  29           2HG      ARG  29   0.399  -1.961   5.658
  181    HD2  ARG  29           1HD      ARG  29   2.473  -1.532   4.634
  182    HD3  ARG  29           2HD      ARG  29   2.094   0.173   4.399
  183    HE   ARG  29           HE       ARG  29   3.133  -1.066   6.784
  184   HH11  ARG  29          1HH1      ARG  29   1.443   1.674   5.459
  185   HH12  ARG  29          2HH1      ARG  29   1.862   2.731   6.766
  186   HH21  ARG  29          1HH2      ARG  29   3.692   0.316   8.511
  187   HH22  ARG  29          2HH2      ARG  29   3.143   1.957   8.501
  188    H    VAL  30           H        VAL  30  -2.768   0.580   2.481
  189    HA   VAL  30           HA       VAL  30  -3.529  -1.423   0.459
  190    HB   VAL  30           HB       VAL  30  -5.183   0.291  -0.323
  191   HG11  VAL  30          1HG1      VAL  30  -6.825  -0.304   1.257
  192   HG12  VAL  30          2HG1      VAL  30  -5.665  -1.634   1.266
  193   HG13  VAL  30          3HG1      VAL  30  -5.642  -0.433   2.558
  194   HG21  VAL  30          3HG2      VAL  30  -4.421   1.668   2.252
  195   HG22  VAL  30          1HG2      VAL  30  -4.123   2.270   0.621
  196   HG23  VAL  30          2HG2      VAL  30  -5.777   2.108   1.213
  197    H    TYR  31           H        TYR  31  -3.222  -0.945  -1.743
  198    HA   TYR  31           HA       TYR  31  -1.711   1.436  -2.455
  199    HB2  TYR  31           1HB      TYR  31  -0.620  -1.323  -3.043
  200    HB3  TYR  31           2HB      TYR  31   0.117   0.215  -3.481
  201    HD1  TYR  31           HD2      TYR  31   1.039   1.687  -1.690
  202    HD2  TYR  31           HD1      TYR  31  -0.318  -2.263  -0.882
  203    HE1  TYR  31           HE2      TYR  31   2.279   1.702   0.435
  204    HE2  TYR  31           HE1      TYR  31   0.917  -2.259   1.246
  205    HH   TYR  31           HH       TYR  31   2.957   0.483   2.179
  206    H    HIS  32           H        HIS  32  -2.184   2.137  -4.456
  207    HA   HIS  32           HA       HIS  32  -4.338   1.099  -5.889
  208    HB2  HIS  32           1HB      HIS  32  -2.225   3.124  -6.436
  209    HB3  HIS  32           2HB      HIS  32  -3.164   2.538  -7.806
  210    HD2  HIS  32           HD2      HIS  32  -6.019   2.431  -5.907
  211    HE1  HIS  32           HE1      HIS  32  -5.414   6.630  -5.960
  212    HE2  HIS  32           HE2      HIS  32  -7.032   4.767  -5.453
  213    H    LEU  33           H        LEU  33  -3.973   0.729  -8.429
  214    HA   LEU  33           HA       LEU  33  -2.416  -1.725  -8.575
  215    HB2  LEU  33           1HB      LEU  33  -4.549  -0.471 -10.252
  216    HB3  LEU  33           2HB      LEU  33  -3.530  -1.740 -10.928
  217    HG   LEU  33           HG       LEU  33  -5.298  -2.017  -8.498
  218   HD11  LEU  33          1HD1      LEU  33  -5.739  -3.528 -11.013
  219   HD12  LEU  33          2HD1      LEU  33  -6.234  -1.837 -10.969
  220   HD13  LEU  33          3HD1      LEU  33  -6.896  -2.978  -9.800
  221   HD21  LEU  33          3HD2      LEU  33  -3.855  -3.675  -8.036
  222   HD22  LEU  33          1HD2      LEU  33  -3.180  -3.680  -9.665
  223   HD23  LEU  33          2HD2      LEU  33  -4.690  -4.528  -9.335
  224    H    ASP  34           H        ASP  34  -2.325   1.542  -9.711
  225    HA   ASP  34           HA       ASP  34  -0.156   0.909 -11.583
  226    HB2  ASP  34           1HB      ASP  34  -1.970   3.282 -11.248
  227    HB3  ASP  34           2HB      ASP  34  -0.461   3.423 -12.146
  228    H    CYS  35           H        CYS  35  -0.773   2.234  -8.488
  229    HA   CYS  35           HA       CYS  35   1.828   3.574  -8.388
  230    HB2  CYS  35           1HB      CYS  35  -0.271   3.487  -6.219
  231    HB3  CYS  35           2HB      CYS  35   1.083   4.603  -6.360
  232    H    LEU  36           H        LEU  36   2.432   1.078  -8.654
  233    HA   LEU  36           HA       LEU  36   2.961   0.069  -5.937
  234    HB2  LEU  36           1HB      LEU  36   2.270  -1.382  -8.463
  235    HB3  LEU  36           2HB      LEU  36   3.177  -2.187  -7.185
  236    HG   LEU  36           HG       LEU  36   0.407  -1.018  -6.922
  237   HD11  LEU  36          1HD1      LEU  36   0.429  -3.763  -6.382
  238   HD12  LEU  36          2HD1      LEU  36   1.359  -3.557  -7.866
  239   HD13  LEU  36          3HD1      LEU  36  -0.292  -2.945  -7.768
  240   HD21  LEU  36          3HD2      LEU  36   0.559  -2.418  -4.749
  241   HD22  LEU  36          1HD2      LEU  36   1.304  -0.819  -4.796
  242   HD23  LEU  36          2HD2      LEU  36   2.303  -2.262  -4.969
  243    H    ASP  37           H        ASP  37   4.845  -1.714  -6.224
  244    HA   ASP  37           HA       ASP  37   6.929  -0.767  -8.016
  245    HB2  ASP  37           1HB      ASP  37   6.881  -0.213  -5.124
  246    HB3  ASP  37           2HB      ASP  37   8.387  -0.916  -5.710
  247    HA   PRO  38           HA       PRO  38   7.517  -1.661  -9.563
  248    HB2  PRO  38           1HB      PRO  38   6.755  -3.543 -11.365
  249    HB3  PRO  38           2HB      PRO  38   8.424  -3.362 -10.813
  250    HG2  PRO  38           1HG      PRO  38   6.334  -5.310  -9.919
  251    HG3  PRO  38           2HG      PRO  38   8.052  -5.589 -10.257
  252    HD2  PRO  38           1HD      PRO  38   7.089  -5.308  -7.742
  253    HD3  PRO  38           2HD      PRO  38   8.717  -4.774  -8.206
  254    HA   PRO  39           HA       PRO  39   3.258  -0.674 -10.025
  255    HB2  PRO  39           1HB      PRO  39   3.067  -0.033 -12.656
  256    HB3  PRO  39           2HB      PRO  39   3.888   0.994 -11.474
  257    HG2  PRO  39           1HG      PRO  39   5.054  -0.959 -13.421
  258    HG3  PRO  39           2HG      PRO  39   5.614   0.669 -12.998
  259    HD2  PRO  39           1HD      PRO  39   6.746  -1.570 -11.981
  260    HD3  PRO  39           2HD      PRO  39   6.648  -0.051 -11.068
  261    H    LEU  40           H        LEU  40   1.238  -1.407 -10.775
  262    HA   LEU  40           HA       LEU  40   1.320  -3.978 -12.213
  263    HB2  LEU  40           1HB      LEU  40  -0.009  -3.154  -9.735
  264    HB3  LEU  40           2HB      LEU  40  -1.055  -4.012 -10.865
  265    HG   LEU  40           HG       LEU  40   1.537  -5.047  -9.716
  266   HD11  LEU  40          1HD1      LEU  40  -0.954  -6.480  -9.192
  267   HD12  LEU  40          2HD1      LEU  40  -0.886  -4.874  -8.468
  268   HD13  LEU  40          3HD1      LEU  40   0.368  -6.059  -8.103
  269   HD21  LEU  40          3HD2      LEU  40  -0.375  -6.123 -11.755
  270   HD22  LEU  40          1HD2      LEU  40   0.573  -7.211 -10.742
  271   HD23  LEU  40          2HD2      LEU  40   1.388  -6.059 -11.801
  272    H    LYS  41           H        LYS  41  -1.090  -4.478 -12.982
  273    HA   LYS  41           HA       LYS  41  -2.264  -2.068 -14.167
  274    HB2  LYS  41           1HB      LYS  41  -0.829  -2.868 -15.909
  275    HB3  LYS  41           2HB      LYS  41  -1.367  -4.526 -15.673
  276    HG2  LYS  41           1HG      LYS  41  -3.606  -3.894 -16.460
  277    HG3  LYS  41           2HG      LYS  41  -3.028  -2.250 -16.738
  278    HD2  LYS  41           1HD      LYS  41  -1.171  -3.686 -18.096
  279    HD3  LYS  41           2HD      LYS  41  -2.598  -4.702 -18.307
  280    HE2  LYS  41           1HE      LYS  41  -3.597  -3.221 -19.669
  281    HE3  LYS  41           2HE      LYS  41  -3.084  -1.840 -18.702
  282    HZ1  LYS  41           3HZ      LYS  41  -1.704  -1.427 -20.385
  283    HZ2  LYS  41           1HZ      LYS  41  -1.888  -2.969 -21.056
  284    HZ3  LYS  41           2HZ      LYS  41  -0.772  -2.716 -19.810
  285    H    THR  42           H        THR  42  -2.754  -5.576 -14.545
  286    HA   THR  42           HA       THR  42  -5.602  -5.193 -14.036
  287    HB   THR  42           HB       THR  42  -5.941  -7.401 -14.910
  288    HG1  THR  42           HG1      THR  42  -4.380  -8.867 -15.005
  289   HG21  THR  42          3HG2      THR  42  -3.787  -6.166 -16.618
  290   HG22  THR  42          1HG2      THR  42  -5.424  -5.521 -16.513
  291   HG23  THR  42          2HG2      THR  42  -5.155  -7.146 -17.143
  292    H    ILE  43           H        ILE  43  -6.418  -7.543 -13.012
  293    HA   ILE  43           HA       ILE  43  -5.735  -7.294 -10.256
  294    HB   ILE  43           HB       ILE  43  -7.351  -9.447 -11.626
  295   HG12  ILE  43          1HG1      ILE  43  -8.308  -7.234 -11.995
  296   HG13  ILE  43          2HG1      ILE  43  -9.304  -8.140 -10.861
  297   HG21  ILE  43          1HG2      ILE  43  -6.393  -9.263  -8.975
  298   HG22  ILE  43          2HG2      ILE  43  -8.128  -8.953  -8.930
  299   HG23  ILE  43          3HG2      ILE  43  -7.517 -10.442  -9.651
  300   HD11  ILE  43          3HD1      ILE  43  -7.355  -5.947 -10.210
  301   HD12  ILE  43          1HD1      ILE  43  -9.113  -5.884 -10.102
  302   HD13  ILE  43          2HD1      ILE  43  -8.199  -6.923  -9.008
  303    HA   PRO  44           HA       PRO  44  -2.192 -10.020 -10.539
  304    HB2  PRO  44           1HB      PRO  44  -1.435  -9.701  -7.951
  305    HB3  PRO  44           2HB      PRO  44  -1.095  -8.503  -9.206
  306    HG2  PRO  44           1HG      PRO  44  -3.276  -8.532  -7.155
  307    HG3  PRO  44           2HG      PRO  44  -2.258  -7.181  -7.686
  308    HD2  PRO  44           1HD      PRO  44  -4.791  -7.534  -8.574
  309    HD3  PRO  44           2HD      PRO  44  -3.519  -6.812  -9.580
  310    H    LYS  45           H        LYS  45  -3.558 -11.893 -10.817
  311    HA   LYS  45           HA       LYS  45  -5.030 -13.192  -8.877
  312    HB2  LYS  45           1HB      LYS  45  -3.564 -14.083 -11.315
  313    HB3  LYS  45           2HB      LYS  45  -4.146 -15.319 -10.208
  314    HG2  LYS  45           1HG      LYS  45  -6.178 -15.161 -11.061
  315    HG3  LYS  45           2HG      LYS  45  -6.241 -13.444 -10.660
  316    HD2  LYS  45           1HD      LYS  45  -6.553 -13.458 -12.964
  317    HD3  LYS  45           2HD      LYS  45  -4.827 -13.128 -12.799
  318    HE2  LYS  45           1HE      LYS  45  -4.427 -15.587 -13.080
  319    HE3  LYS  45           2HE      LYS  45  -6.139 -15.758 -13.464
  320    HZ1  LYS  45           3HZ      LYS  45  -5.810 -14.201 -15.312
  321    HZ2  LYS  45           1HZ      LYS  45  -4.859 -15.591 -15.476
  322    HZ3  LYS  45           2HZ      LYS  45  -4.155 -14.140 -14.968
  323    H    GLY  46           H        GLY  46  -4.502 -15.233  -7.726
  324    HA2  GLY  46           1HA      GLY  46  -3.198 -16.507  -6.314
  325    HA3  GLY  46           2HA      GLY  46  -1.778 -15.847  -7.111
  326    H    MET  47           H        MET  47  -1.970 -16.322  -4.336
  327    HA   MET  47           HA       MET  47  -2.695 -14.187  -2.743
  328    HB2  MET  47           1HB      MET  47  -1.908 -16.382  -1.904
  329    HB3  MET  47           2HB      MET  47  -0.269 -15.954  -2.376
  330    HG2  MET  47           1HG      MET  47  -0.243 -14.137  -0.790
  331    HG3  MET  47           2HG      MET  47  -1.927 -14.444  -0.371
  332    HE1  MET  47           3HE      MET  47   1.097 -15.425   2.256
  333    HE2  MET  47           1HE      MET  47   1.873 -15.663   0.690
  334    HE3  MET  47           2HE      MET  47   0.942 -14.197   0.999
  335    H    TRP  48           H        TRP  48  -2.245 -12.134  -3.292
  336    HA   TRP  48           HA       TRP  48   0.433 -11.429  -4.212
  337    HB2  TRP  48           1HB      TRP  48  -1.547 -10.531  -5.403
  338    HB3  TRP  48           2HB      TRP  48  -2.030  -9.693  -3.931
  339    HD1  TRP  48           HD1      TRP  48   0.672  -9.608  -6.663
  340    HE1  TRP  48           HE1      TRP  48   1.757  -7.274  -6.660
  341    HE3  TRP  48           HE3      TRP  48  -1.588  -7.669  -2.508
  342    HZ2  TRP  48           HZ2      TRP  48   1.668  -4.922  -5.101
  343    HZ3  TRP  48           HZ3      TRP  48  -1.033  -5.370  -1.828
  344    HH2  TRP  48           HH2      TRP  48   0.562  -4.027  -3.099
  345    H    ILE  49           H        ILE  49   1.749  -9.908  -3.183
  346    HA   ILE  49           HA       ILE  49   0.954  -9.029  -0.505
  347    HB   ILE  49           HB       ILE  49   3.588 -10.400  -1.057
  348   HG12  ILE  49          1HG1      ILE  49   1.198 -11.358   0.535
  349   HG13  ILE  49          2HG1      ILE  49   1.697 -11.983  -1.033
  350   HG21  ILE  49          1HG2      ILE  49   2.889 -10.123   1.712
  351   HG22  ILE  49          2HG2      ILE  49   4.315  -9.540   0.856
  352   HG23  ILE  49          3HG2      ILE  49   2.858  -8.549   0.918
  353   HD11  ILE  49          3HD1      ILE  49   2.986 -13.451  -0.010
  354   HD12  ILE  49          1HD1      ILE  49   3.935 -12.133   0.677
  355   HD13  ILE  49          2HD1      ILE  49   2.546 -12.772   1.557
  356    H    CYS  50           H        CYS  50   1.490  -6.977  -0.128
  357    HA   CYS  50           HA       CYS  50   2.535  -5.284  -2.050
  358    HB2  CYS  50           1HB      CYS  50   2.620  -3.597  -0.361
  359    HB3  CYS  50           2HB      CYS  50   1.247  -4.630   0.020
  360    HA   PRO  51           HA       PRO  51   6.897  -5.767  -2.016
  361    HB2  PRO  51           1HB      PRO  51   7.706  -3.231  -2.548
  362    HB3  PRO  51           2HB      PRO  51   6.954  -4.273  -3.761
  363    HG2  PRO  51           1HG      PRO  51   5.728  -2.098  -2.110
  364    HG3  PRO  51           2HG      PRO  51   5.504  -2.456  -3.832
  365    HD2  PRO  51           1HD      PRO  51   3.708  -3.194  -1.944
  366    HD3  PRO  51           2HD      PRO  51   3.998  -4.150  -3.412
  367    H    ARG  52           H        ARG  52   5.309  -3.788   0.264
  368    HA   ARG  52           HA       ARG  52   7.660  -2.923   1.678
  369    HB2  ARG  52           1HB      ARG  52   4.879  -2.324   1.726
  370    HB3  ARG  52           2HB      ARG  52   5.343  -2.841   3.342
  371    HG2  ARG  52           1HG      ARG  52   7.218  -0.959   2.132
  372    HG3  ARG  52           2HG      ARG  52   5.591  -0.311   2.350
  373    HD2  ARG  52           1HD      ARG  52   5.925  -1.506   4.730
  374    HD3  ARG  52           2HD      ARG  52   7.604  -1.121   4.357
  375    HE   ARG  52           HE       ARG  52   5.552   0.711   5.113
  376   HH11  ARG  52          1HH1      ARG  52   8.460   0.374   3.228
  377   HH12  ARG  52          2HH1      ARG  52   8.864   2.057   3.311
  378   HH21  ARG  52          1HH2      ARG  52   6.074   2.929   5.229
  379   HH22  ARG  52          2HH2      ARG  52   7.507   3.509   4.450
  380    H    CYS  53           H        CYS  53   5.594  -5.694   1.695
  381    HA   CYS  53           HA       CYS  53   6.452  -6.592   4.313
  382    HB2  CYS  53           1HB      CYS  53   4.588  -7.634   2.212
  383    HB3  CYS  53           2HB      CYS  53   5.181  -8.726   3.459
  384    H    GLN  54           H        GLN  54   6.790  -7.751   0.960
  385    HA   GLN  54           HA       GLN  54   8.446  -9.911   1.411
  386    HB2  GLN  54           1HB      GLN  54   8.476  -7.993  -0.924
  387    HB3  GLN  54           2HB      GLN  54   9.261  -9.566  -0.910
  388    HG2  GLN  54           1HG      GLN  54   6.568  -9.947  -0.135
  389    HG3  GLN  54           2HG      GLN  54   6.578  -8.918  -1.566
  390   HE21  GLN  54          1HE2      GLN  54   6.071 -10.197  -3.204
  391   HE22  GLN  54          2HE2      GLN  54   6.832 -11.702  -3.581
  392    H    ASP  55           H        ASP  55   9.214  -6.508   1.407
  393    HA   ASP  55           HA       ASP  55  11.662  -6.925   2.777
  394    HB2  ASP  55           1HB      ASP  55  13.061  -5.794   0.915
  395    HB3  ASP  55           2HB      ASP  55  12.709  -7.514   0.770
  396    H    GLN  56           H        GLN  56  12.608  -4.976   3.509
  397    HA   GLN  56           HA       GLN  56  12.513  -2.861   4.343
  398    HB2  GLN  56           1HB      GLN  56  12.710  -2.606   1.686
  399    HB3  GLN  56           2HB      GLN  56  11.148  -1.830   1.913
  400    HG2  GLN  56           1HG      GLN  56  12.438  -0.526   3.793
  401    HG3  GLN  56           2HG      GLN  56  13.842  -0.979   2.828
  402   HE21  GLN  56          1HE2      GLN  56  14.417   0.445   1.366
  403   HE22  GLN  56          2HE2      GLN  56  13.381   1.583   0.582
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -6.870  -1.534  25.243
    2    HA2  GLY   1           1HA      GLY   1  -4.726  -2.639  25.946
    3    HA3  GLY   1           2HA      GLY   1  -6.032  -3.781  25.667
    4    H    SER   2           H        SER   2  -5.852  -5.261  24.063
    5    HA   SER   2           HA       SER   2  -3.727  -4.965  22.082
    6    HB2  SER   2           1HB      SER   2  -2.539  -6.167  23.756
    7    HB3  SER   2           2HB      SER   2  -3.914  -7.223  24.077
    8    HG   SER   2           HG       SER   2  -3.327  -8.452  22.475
    9    H    SER   3           H        SER   3  -3.927  -6.429  20.283
   10    HA   SER   3           HA       SER   3  -5.999  -8.287  19.966
   11    HB2  SER   3           1HB      SER   3  -7.732  -6.802  19.882
   12    HB3  SER   3           2HB      SER   3  -6.696  -5.458  19.400
   13    HG   SER   3           HG       SER   3  -7.691  -5.844  17.554
   14    H    GLY   4           H        GLY   4  -4.500  -5.668  18.055
   15    HA2  GLY   4           1HA      GLY   4  -2.615  -7.024  16.676
   16    HA3  GLY   4           2HA      GLY   4  -4.086  -7.456  15.818
   17    H    SER   5           H        SER   5  -5.414  -5.646  14.998
   18    HA   SER   5           HA       SER   5  -4.040  -3.114  14.635
   19    HB2  SER   5           1HB      SER   5  -3.162  -4.554  12.812
   20    HB3  SER   5           2HB      SER   5  -4.813  -4.809  12.248
   21    HG   SER   5           HG       SER   5  -3.250  -2.907  11.501
   22    H    SER   6           H        SER   6  -5.403  -1.495  13.580
   23    HA   SER   6           HA       SER   6  -8.208  -1.922  14.278
   24    HB2  SER   6           1HB      SER   6  -6.683   0.134  14.941
   25    HB3  SER   6           2HB      SER   6  -7.162   0.722  13.349
   26    HG   SER   6           HG       SER   6  -8.567   1.353  15.119
   27    H    GLY   7           H        GLY   7  -7.457  -3.296  12.010
   28    HA2  GLY   7           1HA      GLY   7  -8.530  -3.696   9.980
   29    HA3  GLY   7           2HA      GLY   7  -9.227  -2.085  10.059
   30    H    HIS   8           H        HIS   8  -8.640  -2.180   7.720
   31    HA   HIS   8           HA       HIS   8  -5.808  -1.490   7.300
   32    HB2  HIS   8           1HB      HIS   8  -7.867  -2.666   5.434
   33    HB3  HIS   8           2HB      HIS   8  -6.341  -1.998   4.862
   34    HD2  HIS   8           HD2      HIS   8  -5.221  -4.403   4.103
   35    HE1  HIS   8           HE1      HIS   8  -5.374  -6.240   7.924
   36    HE2  HIS   8           HE2      HIS   8  -4.451  -6.378   5.585
   37    H    GLU   9           H        GLU   9  -5.314   0.247   5.850
   38    HA   GLU   9           HA       GLU   9  -6.858   2.557   6.285
   39    HB2  GLU   9           1HB      GLU   9  -4.816   2.194   4.093
   40    HB3  GLU   9           2HB      GLU   9  -5.297   3.696   4.870
   41    HG2  GLU   9           1HG      GLU   9  -4.334   2.879   6.984
   42    HG3  GLU   9           2HG      GLU   9  -3.789   1.426   6.147
   43    H    ASP  10           H        ASP  10  -7.125   3.964   4.026
   44    HA   ASP  10           HA       ASP  10  -8.615   2.386   2.082
   45    HB2  ASP  10           1HB      ASP  10  -9.848   4.570   3.765
   46    HB3  ASP  10           2HB      ASP  10 -10.559   3.997   2.259
   47    H    PHE  11           H        PHE  11  -6.155   4.046   2.169
   48    HA   PHE  11           HA       PHE  11  -6.766   5.668  -0.174
   49    HB2  PHE  11           1HB      PHE  11  -5.168   6.841   2.102
   50    HB3  PHE  11           2HB      PHE  11  -5.742   7.659   0.652
   51    HD1  PHE  11           HD2      PHE  11  -8.152   8.156   0.391
   52    HD2  PHE  11           HD1      PHE  11  -6.545   6.595   4.010
   53    HE1  PHE  11           HE2      PHE  11 -10.182   8.858   1.591
   54    HE2  PHE  11           HE1      PHE  11  -8.573   7.294   5.216
   55    HZ   PHE  11           HZ       PHE  11 -10.394   8.428   4.007
   56    H    CYS  12           H        CYS  12  -5.106   5.798  -1.628
   57    HA   CYS  12           HA       CYS  12  -3.168   3.836  -1.695
   58    HB2  CYS  12           1HB      CYS  12  -3.925   5.191  -3.645
   59    HB3  CYS  12           2HB      CYS  12  -2.982   6.544  -3.029
   60    H    SER  13           H        SER  13  -1.099   3.625  -1.015
   61    HA   SER  13           HA       SER  13  -0.134   5.629   0.878
   62    HB2  SER  13           1HB      SER  13  -0.196   2.896   1.020
   63    HB3  SER  13           2HB      SER  13   1.467   3.186   0.510
   64    HG   SER  13           HG       SER  13   1.900   3.948   2.419
   65    H    VAL  14           H        VAL  14  -0.013   6.349  -1.839
   66    HA   VAL  14           HA       VAL  14   2.848   6.808  -2.083
   67    HB   VAL  14           HB       VAL  14   1.261   5.568  -4.336
   68   HG11  VAL  14          1HG1      VAL  14   3.414   5.607  -5.552
   69   HG12  VAL  14          2HG1      VAL  14   2.796   7.221  -5.196
   70   HG13  VAL  14          3HG1      VAL  14   4.111   6.547  -4.233
   71   HG21  VAL  14          3HG2      VAL  14   1.903   3.929  -2.660
   72   HG22  VAL  14          1HG2      VAL  14   2.860   3.711  -4.126
   73   HG23  VAL  14          2HG2      VAL  14   3.572   4.497  -2.717
   74    H    CYS  15           H        CYS  15  -0.355   7.306  -3.534
   75    HA   CYS  15           HA       CYS  15   0.458  10.065  -4.179
   76    HB2  CYS  15           1HB      CYS  15  -1.158  10.041  -5.990
   77    HB3  CYS  15           2HB      CYS  15  -0.062   8.674  -6.164
   78    H    ARG  16           H        ARG  16  -1.813   8.029  -2.554
   79    HA   ARG  16           HA       ARG  16  -3.501   8.463  -1.093
   80    HB2  ARG  16           1HB      ARG  16  -2.604  11.342  -1.111
   81    HB3  ARG  16           2HB      ARG  16  -3.448  10.482   0.170
   82    HG2  ARG  16           1HG      ARG  16  -1.256   8.974   0.049
   83    HG3  ARG  16           2HG      ARG  16  -0.579  10.493  -0.541
   84    HD2  ARG  16           1HD      ARG  16  -0.314  10.361   1.857
   85    HD3  ARG  16           2HD      ARG  16  -1.468  11.633   1.456
   86    HE   ARG  16           HE       ARG  16  -2.841   9.220   1.945
   87   HH11  ARG  16          1HH1      ARG  16  -1.068  11.716   3.602
   88   HH12  ARG  16          2HH1      ARG  16  -1.914  11.505   5.099
   89   HH21  ARG  16          1HH2      ARG  16  -3.962   8.932   3.910
   90   HH22  ARG  16          2HH2      ARG  16  -3.560   9.920   5.273
   91    H    LYS  17           H        LYS  17  -5.079   8.051  -2.687
   92    HA   LYS  17           HA       LYS  17  -6.611  10.431  -3.431
   93    HB2  LYS  17           1HB      LYS  17  -5.313   8.545  -5.283
   94    HB3  LYS  17           2HB      LYS  17  -7.008   8.860  -5.630
   95    HG2  LYS  17           1HG      LYS  17  -4.949  11.023  -5.262
   96    HG3  LYS  17           2HG      LYS  17  -5.394  10.338  -6.827
   97    HD2  LYS  17           1HD      LYS  17  -7.787  11.029  -5.469
   98    HD3  LYS  17           2HD      LYS  17  -6.685  12.404  -5.354
   99    HE2  LYS  17           1HE      LYS  17  -6.330  12.189  -7.833
  100    HE3  LYS  17           2HE      LYS  17  -7.638  11.008  -7.848
  101    HZ1  LYS  17           3HZ      LYS  17  -8.669  13.006  -8.370
  102    HZ2  LYS  17           1HZ      LYS  17  -7.771  13.895  -7.245
  103    HZ3  LYS  17           2HZ      LYS  17  -8.984  12.841  -6.716
  104    H    SER  18           H        SER  18  -8.759   9.556  -4.564
  105    HA   SER  18           HA       SER  18  -9.840   7.556  -2.701
  106    HB2  SER  18           1HB      SER  18 -11.945   8.595  -2.899
  107    HB3  SER  18           2HB      SER  18 -10.807   9.941  -2.858
  108    HG   SER  18           HG       SER  18 -11.436  10.475  -4.783
  109    H    GLY  19           H        GLY  19 -11.179   5.882  -3.446
  110    HA2  GLY  19           1HA      GLY  19 -12.351   5.106  -5.598
  111    HA3  GLY  19           2HA      GLY  19 -10.735   5.212  -6.281
  112    H    GLN  20           H        GLN  20 -10.979   2.948  -6.792
  113    HA   GLN  20           HA       GLN  20 -11.177   1.036  -4.652
  114    HB2  GLN  20           1HB      GLN  20 -11.582   0.966  -7.399
  115    HB3  GLN  20           2HB      GLN  20 -10.133  -0.002  -7.163
  116    HG2  GLN  20           1HG      GLN  20 -11.896  -1.523  -7.047
  117    HG3  GLN  20           2HG      GLN  20 -11.439  -1.237  -5.369
  118   HE21  GLN  20          1HE2      GLN  20 -13.618   0.095  -7.834
  119   HE22  GLN  20          2HE2      GLN  20 -14.961   0.319  -6.770
  120    H    LEU  21           H        LEU  21  -9.574   0.100  -3.544
  121    HA   LEU  21           HA       LEU  21  -6.818   0.431  -4.518
  122    HB2  LEU  21           1HB      LEU  21  -8.021   1.300  -1.985
  123    HB3  LEU  21           2HB      LEU  21  -6.504   0.419  -1.816
  124    HG   LEU  21           HG       LEU  21  -6.576   2.654  -3.768
  125   HD11  LEU  21          1HD1      LEU  21  -6.136   3.288  -0.883
  126   HD12  LEU  21          2HD1      LEU  21  -7.763   3.326  -1.560
  127   HD13  LEU  21          3HD1      LEU  21  -6.506   4.369  -2.226
  128   HD21  LEU  21          3HD2      LEU  21  -4.334   2.654  -3.473
  129   HD22  LEU  21          1HD2      LEU  21  -4.638   1.005  -2.928
  130   HD23  LEU  21          2HD2      LEU  21  -4.449   2.302  -1.748
  131    H    LEU  22           H        LEU  22  -5.340  -1.197  -3.901
  132    HA   LEU  22           HA       LEU  22  -6.576  -3.785  -3.545
  133    HB2  LEU  22           1HB      LEU  22  -4.576  -3.112  -5.076
  134    HB3  LEU  22           2HB      LEU  22  -3.621  -3.338  -3.613
  135    HG   LEU  22           HG       LEU  22  -4.397  -5.671  -3.491
  136   HD11  LEU  22          1HD1      LEU  22  -5.448  -6.561  -5.644
  137   HD12  LEU  22          2HD1      LEU  22  -5.883  -4.884  -5.975
  138   HD13  LEU  22          3HD1      LEU  22  -6.492  -5.683  -4.526
  139   HD21  LEU  22          3HD2      LEU  22  -2.744  -6.377  -4.848
  140   HD22  LEU  22          1HD2      LEU  22  -2.437  -4.651  -5.041
  141   HD23  LEU  22          2HD2      LEU  22  -3.382  -5.519  -6.251
  142    H    MET  23           H        MET  23  -5.955  -5.309  -1.921
  143    HA   MET  23           HA       MET  23  -4.991  -4.044   0.559
  144    HB2  MET  23           1HB      MET  23  -6.926  -6.355   0.387
  145    HB3  MET  23           2HB      MET  23  -6.468  -5.456   1.827
  146    HG2  MET  23           1HG      MET  23  -7.531  -3.449   0.886
  147    HG3  MET  23           2HG      MET  23  -8.035  -4.396  -0.512
  148    HE1  MET  23           3HE      MET  23  -9.958  -4.057   3.536
  149    HE2  MET  23           1HE      MET  23  -8.394  -3.425   3.020
  150    HE3  MET  23           2HE      MET  23  -9.878  -2.805   2.296
  151    H    CYS  24           H        CYS  24  -3.493  -5.122   1.779
  152    HA   CYS  24           HA       CYS  24  -2.066  -7.261   0.439
  153    HB2  CYS  24           1HB      CYS  24  -0.820  -5.388   1.440
  154    HB3  CYS  24           2HB      CYS  24  -1.454  -5.817   3.026
  155    H    ASP  25           H        ASP  25  -1.700  -9.312   1.264
  156    HA   ASP  25           HA       ASP  25  -3.713 -10.227   3.175
  157    HB2  ASP  25           1HB      ASP  25  -2.926 -11.282   0.796
  158    HB3  ASP  25           2HB      ASP  25  -1.926 -12.208   1.912
  159    H    THR  26           H        THR  26  -1.651  -8.739   4.303
  160    HA   THR  26           HA       THR  26  -0.647 -10.625   6.227
  161    HB   THR  26           HB       THR  26   1.665  -9.112   5.436
  162    HG1  THR  26           HG1      THR  26   1.787  -9.506   3.349
  163   HG21  THR  26          3HG2      THR  26   2.753 -11.149   5.677
  164   HG22  THR  26          1HG2      THR  26   1.361 -12.076   5.120
  165   HG23  THR  26          2HG2      THR  26   1.351 -11.348   6.727
  166    H    CYS  27           H        CYS  27   0.322  -7.387   5.077
  167    HA   CYS  27           HA       CYS  27   0.185  -6.388   7.804
  168    HB2  CYS  27           1HB      CYS  27   1.275  -4.410   6.962
  169    HB3  CYS  27           2HB      CYS  27   2.099  -5.820   6.302
  170    H    SER  28           H        SER  28  -0.518  -3.784   7.504
  171    HA   SER  28           HA       SER  28  -3.298  -3.929   6.533
  172    HB2  SER  28           1HB      SER  28  -3.796  -2.246   8.364
  173    HB3  SER  28           2HB      SER  28  -3.393  -3.870   8.920
  174    HG   SER  28           HG       SER  28  -1.276  -3.125   9.331
  175    H    ARG  29           H        ARG  29  -1.845  -3.160   4.596
  176    HA   ARG  29           HA       ARG  29  -2.135  -0.246   4.496
  177    HB2  ARG  29           1HB      ARG  29   0.342  -1.814   3.809
  178    HB3  ARG  29           2HB      ARG  29   0.031  -0.226   3.119
  179    HG2  ARG  29           1HG      ARG  29   0.700   0.805   4.968
  180    HG3  ARG  29           2HG      ARG  29  -0.297  -0.228   5.993
  181    HD2  ARG  29           1HD      ARG  29   1.407  -1.945   5.978
  182    HD3  ARG  29           2HD      ARG  29   2.384  -1.003   4.852
  183    HE   ARG  29           HE       ARG  29   3.181   0.178   6.628
  184   HH11  ARG  29          1HH1      ARG  29   0.170  -1.308   7.549
  185   HH12  ARG  29          2HH1      ARG  29   0.272  -0.796   9.201
  186   HH21  ARG  29          1HH2      ARG  29   3.327   0.858   8.801
  187   HH22  ARG  29          2HH2      ARG  29   2.067   0.437   9.912
  188    H    VAL  30           H        VAL  30  -2.814   0.552   2.550
  189    HA   VAL  30           HA       VAL  30  -3.488  -1.456   0.509
  190    HB   VAL  30           HB       VAL  30  -5.159   0.190  -0.299
  191   HG11  VAL  30          1HG1      VAL  30  -5.203  -1.128   2.324
  192   HG12  VAL  30          2HG1      VAL  30  -6.428   0.123   2.100
  193   HG13  VAL  30          3HG1      VAL  30  -6.338  -1.236   0.979
  194   HG21  VAL  30          3HG2      VAL  30  -5.711   2.132   1.045
  195   HG22  VAL  30          1HG2      VAL  30  -4.425   1.736   2.185
  196   HG23  VAL  30          2HG2      VAL  30  -4.025   2.212   0.535
  197    H    TYR  31           H        TYR  31  -3.149  -1.006  -1.692
  198    HA   TYR  31           HA       TYR  31  -1.612   1.364  -2.400
  199    HB2  TYR  31           1HB      TYR  31  -0.564  -1.408  -2.998
  200    HB3  TYR  31           2HB      TYR  31   0.203   0.121  -3.411
  201    HD1  TYR  31           HD2      TYR  31   1.258   1.493  -1.667
  202    HD2  TYR  31           HD1      TYR  31  -0.420  -2.313  -0.773
  203    HE1  TYR  31           HE2      TYR  31   2.479   1.463   0.468
  204    HE2  TYR  31           HE1      TYR  31   0.794  -2.353   1.366
  205    HH   TYR  31           HH       TYR  31   2.259   0.369   2.698
  206    H    HIS  32           H        HIS  32  -2.050   2.070  -4.410
  207    HA   HIS  32           HA       HIS  32  -4.221   1.080  -5.850
  208    HB2  HIS  32           1HB      HIS  32  -2.050   3.044  -6.406
  209    HB3  HIS  32           2HB      HIS  32  -3.020   2.486  -7.766
  210    HD2  HIS  32           HD2      HIS  32  -5.841   2.469  -5.781
  211    HE1  HIS  32           HE1      HIS  32  -5.138   6.650  -5.948
  212    HE2  HIS  32           HE2      HIS  32  -6.784   4.839  -5.352
  213    H    LEU  33           H        LEU  33  -3.854   0.693  -8.387
  214    HA   LEU  33           HA       LEU  33  -2.345  -1.794  -8.518
  215    HB2  LEU  33           1HB      LEU  33  -4.465  -0.517 -10.192
  216    HB3  LEU  33           2HB      LEU  33  -3.467  -1.801 -10.870
  217    HG   LEU  33           HG       LEU  33  -5.193  -2.066  -8.409
  218   HD11  LEU  33          1HD1      LEU  33  -6.520  -1.762 -10.446
  219   HD12  LEU  33          2HD1      LEU  33  -6.667  -3.398  -9.805
  220   HD13  LEU  33          3HD1      LEU  33  -5.646  -3.090 -11.208
  221   HD21  LEU  33          3HD2      LEU  33  -3.968  -3.876  -8.012
  222   HD22  LEU  33          1HD2      LEU  33  -3.076  -3.674  -9.521
  223   HD23  LEU  33          2HD2      LEU  33  -4.602  -4.560  -9.510
  224    H    ASP  34           H        ASP  34  -2.193   1.465  -9.661
  225    HA   ASP  34           HA       ASP  34  -0.047   0.784 -11.543
  226    HB2  ASP  34           1HB      ASP  34  -1.578   3.365 -11.158
  227    HB3  ASP  34           2HB      ASP  34  -0.304   3.117 -12.349
  228    H    CYS  35           H        CYS  35  -0.628   2.137  -8.452
  229    HA   CYS  35           HA       CYS  35   2.002   3.421  -8.368
  230    HB2  CYS  35           1HB      CYS  35  -0.093   3.401  -6.194
  231    HB3  CYS  35           2HB      CYS  35   1.284   4.486  -6.349
  232    H    LEU  36           H        LEU  36   2.552   0.913  -8.613
  233    HA   LEU  36           HA       LEU  36   3.060  -0.087  -5.888
  234    HB2  LEU  36           1HB      LEU  36   2.336  -1.542  -8.403
  235    HB3  LEU  36           2HB      LEU  36   3.226  -2.356  -7.119
  236    HG   LEU  36           HG       LEU  36   0.482  -1.126  -6.865
  237   HD11  LEU  36          1HD1      LEU  36   1.377  -3.692  -7.789
  238   HD12  LEU  36          2HD1      LEU  36  -0.259  -3.044  -7.694
  239   HD13  LEU  36          3HD1      LEU  36   0.445  -3.867  -6.302
  240   HD21  LEU  36          3HD2      LEU  36   1.624  -0.943  -4.771
  241   HD22  LEU  36          1HD2      LEU  36   2.217  -2.600  -4.891
  242   HD23  LEU  36          2HD2      LEU  36   0.495  -2.294  -4.662
  243    H    ASP  37           H        ASP  37   4.905  -1.912  -6.160
  244    HA   ASP  37           HA       ASP  37   7.008  -1.026  -7.960
  245    HB2  ASP  37           1HB      ASP  37   7.234   0.403  -5.931
  246    HB3  ASP  37           2HB      ASP  37   7.446  -1.056  -4.968
  247    HA   PRO  38           HA       PRO  38   7.578  -1.946  -9.499
  248    HB2  PRO  38           1HB      PRO  38   6.776  -3.827 -11.285
  249    HB3  PRO  38           2HB      PRO  38   8.449  -3.677 -10.734
  250    HG2  PRO  38           1HG      PRO  38   6.316  -5.572  -9.824
  251    HG3  PRO  38           2HG      PRO  38   8.028  -5.891 -10.158
  252    HD2  PRO  38           1HD      PRO  38   7.070  -5.567  -7.647
  253    HD3  PRO  38           2HD      PRO  38   8.710  -5.072  -8.114
  254    HA   PRO  39           HA       PRO  39   3.340  -0.871  -9.971
  255    HB2  PRO  39           1HB      PRO  39   3.164  -0.249 -12.608
  256    HB3  PRO  39           2HB      PRO  39   4.007   0.770 -11.435
  257    HG2  PRO  39           1HG      PRO  39   5.131  -1.224 -13.364
  258    HG3  PRO  39           2HG      PRO  39   5.726   0.395 -12.955
  259    HD2  PRO  39           1HD      PRO  39   6.809  -1.859 -11.918
  260    HD3  PRO  39           2HD      PRO  39   6.744  -0.330 -11.018
  261    H    LEU  40           H        LEU  40   1.306  -1.571 -10.710
  262    HA   LEU  40           HA       LEU  40   1.334  -4.158 -12.122
  263    HB2  LEU  40           1HB      LEU  40   0.016  -3.272  -9.661
  264    HB3  LEU  40           2HB      LEU  40  -1.049  -4.114 -10.785
  265    HG   LEU  40           HG       LEU  40   1.510  -5.205  -9.613
  266   HD11  LEU  40          1HD1      LEU  40  -1.047  -6.540  -9.097
  267   HD12  LEU  40          2HD1      LEU  40  -0.885  -4.948  -8.357
  268   HD13  LEU  40          3HD1      LEU  40   0.303  -6.205  -8.012
  269   HD21  LEU  40          3HD2      LEU  40  -0.461  -6.313 -11.593
  270   HD22  LEU  40          1HD2      LEU  40   0.591  -7.350 -10.628
  271   HD23  LEU  40          2HD2      LEU  40   1.292  -6.176 -11.742
  272    H    LYS  41           H        LYS  41  -1.084  -4.610 -12.896
  273    HA   LYS  41           HA       LYS  41  -2.204  -2.191 -14.111
  274    HB2  LYS  41           1HB      LYS  41  -0.642  -3.203 -15.747
  275    HB3  LYS  41           2HB      LYS  41  -1.556  -4.703 -15.665
  276    HG2  LYS  41           1HG      LYS  41  -3.516  -2.924 -16.264
  277    HG3  LYS  41           2HG      LYS  41  -2.133  -2.216 -17.101
  278    HD2  LYS  41           1HD      LYS  41  -2.004  -4.963 -17.624
  279    HD3  LYS  41           2HD      LYS  41  -3.706  -4.529 -17.793
  280    HE2  LYS  41           1HE      LYS  41  -2.919  -4.113 -19.915
  281    HE3  LYS  41           2HE      LYS  41  -2.761  -2.523 -19.170
  282    HZ1  LYS  41           3HZ      LYS  41  -0.408  -3.916 -18.657
  283    HZ2  LYS  41           1HZ      LYS  41  -0.620  -2.575 -19.668
  284    HZ3  LYS  41           2HZ      LYS  41  -0.754  -4.139 -20.298
  285    H    THR  42           H        THR  42  -2.733  -5.698 -14.451
  286    HA   THR  42           HA       THR  42  -5.585  -5.273 -13.992
  287    HB   THR  42           HB       THR  42  -5.945  -7.474 -14.850
  288    HG1  THR  42           HG1      THR  42  -4.036  -8.771 -15.410
  289   HG21  THR  42          3HG2      THR  42  -5.368  -5.679 -16.491
  290   HG22  THR  42          1HG2      THR  42  -5.022  -7.311 -17.062
  291   HG23  THR  42          2HG2      THR  42  -3.710  -6.280 -16.490
  292    H    ILE  43           H        ILE  43  -6.444  -7.594 -12.941
  293    HA   ILE  43           HA       ILE  43  -5.800  -7.307 -10.180
  294    HB   ILE  43           HB       ILE  43  -7.426  -9.456 -11.543
  295   HG12  ILE  43          1HG1      ILE  43  -9.216  -7.868 -10.271
  296   HG13  ILE  43          2HG1      ILE  43  -7.998  -6.675 -10.711
  297   HG21  ILE  43          1HG2      ILE  43  -8.241  -8.944  -8.869
  298   HG22  ILE  43          2HG2      ILE  43  -7.607 -10.435  -9.563
  299   HG23  ILE  43          3HG2      ILE  43  -6.503  -9.244  -8.874
  300   HD11  ILE  43          3HD1      ILE  43  -8.463  -6.817 -12.910
  301   HD12  ILE  43          1HD1      ILE  43  -8.838  -8.539 -12.836
  302   HD13  ILE  43          2HD1      ILE  43 -10.028  -7.353 -12.299
  303    HA   PRO  44           HA       PRO  44  -2.287 -10.080 -10.361
  304    HB2  PRO  44           1HB      PRO  44  -1.566  -9.726  -7.768
  305    HB3  PRO  44           2HB      PRO  44  -1.192  -8.554  -9.038
  306    HG2  PRO  44           1HG      PRO  44  -3.404  -8.521  -7.020
  307    HG3  PRO  44           2HG      PRO  44  -2.361  -7.192  -7.560
  308    HD2  PRO  44           1HD      PRO  44  -4.885  -7.529  -8.480
  309    HD3  PRO  44           2HD      PRO  44  -3.589  -6.840  -9.478
  310    H    LYS  45           H        LYS  45  -3.841 -11.871 -10.623
  311    HA   LYS  45           HA       LYS  45  -5.254 -13.121  -8.609
  312    HB2  LYS  45           1HB      LYS  45  -4.250 -13.837 -11.239
  313    HB3  LYS  45           2HB      LYS  45  -4.247 -15.217 -10.149
  314    HG2  LYS  45           1HG      LYS  45  -6.663 -14.547  -9.610
  315    HG3  LYS  45           2HG      LYS  45  -6.562 -13.556 -11.067
  316    HD2  LYS  45           1HD      LYS  45  -5.527 -16.135 -11.670
  317    HD3  LYS  45           2HD      LYS  45  -7.076 -16.341 -10.850
  318    HE2  LYS  45           1HE      LYS  45  -7.811 -14.426 -12.510
  319    HE3  LYS  45           2HE      LYS  45  -6.454 -15.038 -13.454
  320    HZ1  LYS  45           3HZ      LYS  45  -7.825 -17.274 -12.675
  321    HZ2  LYS  45           1HZ      LYS  45  -7.857 -16.564 -14.210
  322    HZ3  LYS  45           2HZ      LYS  45  -9.043 -16.169 -13.071
  323    H    GLY  46           H        GLY  46  -4.777 -15.146  -7.456
  324    HA2  GLY  46           1HA      GLY  46  -3.440 -16.536  -6.181
  325    HA3  GLY  46           2HA      GLY  46  -2.038 -15.904  -7.032
  326    H    MET  47           H        MET  47  -2.038 -16.435  -4.288
  327    HA   MET  47           HA       MET  47  -2.638 -14.355  -2.578
  328    HB2  MET  47           1HB      MET  47  -1.828 -16.533  -1.811
  329    HB3  MET  47           2HB      MET  47  -0.238 -16.192  -2.480
  330    HG2  MET  47           1HG      MET  47  -0.052 -14.272  -0.926
  331    HG3  MET  47           2HG      MET  47  -1.585 -14.758  -0.205
  332    HE1  MET  47           3HE      MET  47  -0.714 -14.705   1.946
  333    HE2  MET  47           1HE      MET  47   0.143 -16.025   2.742
  334    HE3  MET  47           2HE      MET  47   1.050 -14.723   1.973
  335    H    TRP  48           H        TRP  48  -2.226 -12.284  -3.097
  336    HA   TRP  48           HA       TRP  48   0.411 -11.560  -4.133
  337    HB2  TRP  48           1HB      TRP  48  -1.594 -10.676  -5.281
  338    HB3  TRP  48           2HB      TRP  48  -2.070  -9.859  -3.795
  339    HD1  TRP  48           HD1      TRP  48   0.599  -9.708  -6.559
  340    HE1  TRP  48           HE1      TRP  48   1.637  -7.352  -6.556
  341    HE3  TRP  48           HE3      TRP  48  -1.659  -7.831  -2.374
  342    HZ2  TRP  48           HZ2      TRP  48   1.514  -5.009  -4.988
  343    HZ3  TRP  48           HZ3      TRP  48  -1.145  -5.524  -1.691
  344    HH2  TRP  48           HH2      TRP  48   0.410  -4.144  -2.971
  345    H    ILE  49           H        ILE  49   1.737 -10.022  -3.142
  346    HA   ILE  49           HA       ILE  49   1.005  -9.151  -0.444
  347    HB   ILE  49           HB       ILE  49   3.635 -10.497  -1.069
  348   HG12  ILE  49          1HG1      ILE  49   1.323 -11.471   0.623
  349   HG13  ILE  49          2HG1      ILE  49   1.734 -12.081  -0.976
  350   HG21  ILE  49          1HG2      ILE  49   3.960 -10.348   1.392
  351   HG22  ILE  49          2HG2      ILE  49   3.919  -8.782   0.583
  352   HG23  ILE  49          3HG2      ILE  49   2.510  -9.348   1.479
  353   HD11  ILE  49          3HD1      ILE  49   4.047 -12.212   0.673
  354   HD12  ILE  49          1HD1      ILE  49   2.689 -12.944   1.527
  355   HD13  ILE  49          2HD1      ILE  49   3.139 -13.525  -0.077
  356    H    CYS  50           H        CYS  50   1.476  -7.077  -0.131
  357    HA   CYS  50           HA       CYS  50   2.490  -5.396  -2.076
  358    HB2  CYS  50           1HB      CYS  50   2.545  -3.682  -0.415
  359    HB3  CYS  50           2HB      CYS  50   1.191  -4.735  -0.016
  360    HA   PRO  51           HA       PRO  51   6.861  -5.795  -2.040
  361    HB2  PRO  51           1HB      PRO  51   7.621  -3.252  -2.612
  362    HB3  PRO  51           2HB      PRO  51   6.888  -4.328  -3.808
  363    HG2  PRO  51           1HG      PRO  51   5.622  -2.150  -2.189
  364    HG3  PRO  51           2HG      PRO  51   5.403  -2.540  -3.905
  365    HD2  PRO  51           1HD      PRO  51   3.624  -3.282  -2.005
  366    HD3  PRO  51           2HD      PRO  51   3.930  -4.255  -3.457
  367    H    ARG  52           H        ARG  52   5.234  -3.832   0.219
  368    HA   ARG  52           HA       ARG  52   7.572  -2.896   1.615
  369    HB2  ARG  52           1HB      ARG  52   4.735  -2.421   1.707
  370    HB3  ARG  52           2HB      ARG  52   5.331  -2.771   3.324
  371    HG2  ARG  52           1HG      ARG  52   6.753  -0.790   1.599
  372    HG3  ARG  52           2HG      ARG  52   5.291  -0.329   2.474
  373    HD2  ARG  52           1HD      ARG  52   6.867  -1.705   4.327
  374    HD3  ARG  52           2HD      ARG  52   7.984  -0.665   3.444
  375    HE   ARG  52           HE       ARG  52   6.032   0.154   5.343
  376   HH11  ARG  52          1HH1      ARG  52   7.637   1.123   2.409
  377   HH12  ARG  52          2HH1      ARG  52   7.437   2.818   2.705
  378   HH21  ARG  52          1HH2      ARG  52   5.763   2.384   5.744
  379   HH22  ARG  52          2HH2      ARG  52   6.372   3.534   4.603
  380    H    CYS  53           H        CYS  53   5.553  -5.700   1.673
  381    HA   CYS  53           HA       CYS  53   6.416  -6.543   4.307
  382    HB2  CYS  53           1HB      CYS  53   4.583  -7.650   2.213
  383    HB3  CYS  53           2HB      CYS  53   5.193  -8.715   3.475
  384    H    GLN  54           H        GLN  54   6.785  -7.762   0.977
  385    HA   GLN  54           HA       GLN  54   8.491  -9.872   1.479
  386    HB2  GLN  54           1HB      GLN  54   8.352  -8.013  -0.893
  387    HB3  GLN  54           2HB      GLN  54   9.352  -9.459  -0.864
  388    HG2  GLN  54           1HG      GLN  54   6.546  -9.882  -0.123
  389    HG3  GLN  54           2HG      GLN  54   6.812  -9.357  -1.785
  390   HE21  GLN  54          1HE2      GLN  54   6.604 -11.109  -2.994
  391   HE22  GLN  54          2HE2      GLN  54   7.410 -12.615  -2.736
  392    H    ASP  55           H        ASP  55   9.175  -6.455   1.408
  393    HA   ASP  55           HA       ASP  55  11.013  -5.246   1.987
  394    HB2  ASP  55           1HB      ASP  55  11.042  -7.507   3.659
  395    HB3  ASP  55           2HB      ASP  55  12.695  -7.322   3.079
  396    H    GLN  56           H        GLN  56  13.512  -5.215   1.734
  397    HA   GLN  56           HA       GLN  56  15.308  -5.285   0.340
  398    HB2  GLN  56           1HB      GLN  56  15.111  -7.749   0.876
  399    HB3  GLN  56           2HB      GLN  56  14.231  -7.930  -0.636
  400    HG2  GLN  56           1HG      GLN  56  16.563  -6.537  -1.290
  401    HG3  GLN  56           2HG      GLN  56  17.059  -7.805  -0.170
  402   HE21  GLN  56          1HE2      GLN  56  16.053  -9.990  -0.669
  403   HE22  GLN  56          2HE2      GLN  56  16.039 -10.462  -2.330
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -11.500  16.191  19.087
    2    HA2  GLY   1           1HA      GLY   1  -9.411  16.642  17.352
    3    HA3  GLY   1           2HA      GLY   1  -9.286  16.811  19.096
    4    H    SER   2           H        SER   2  -9.729  14.051  19.722
    5    HA   SER   2           HA       SER   2  -7.061  13.064  19.128
    6    HB2  SER   2           1HB      SER   2  -8.110  13.047  21.453
    7    HB3  SER   2           2HB      SER   2  -9.130  11.728  20.875
    8    HG   SER   2           HG       SER   2  -6.996  11.248  21.962
    9    H    SER   3           H        SER   3  -7.155  12.377  17.005
   10    HA   SER   3           HA       SER   3  -9.223  10.731  15.969
   11    HB2  SER   3           1HB      SER   3  -6.632  11.778  15.027
   12    HB3  SER   3           2HB      SER   3  -7.112  10.240  14.311
   13    HG   SER   3           HG       SER   3  -8.462  11.315  13.133
   14    H    GLY   4           H        GLY   4  -9.552   8.620  16.204
   15    HA2  GLY   4           1HA      GLY   4  -7.301   6.819  16.626
   16    HA3  GLY   4           2HA      GLY   4  -8.471   6.912  17.933
   17    H    SER   5           H        SER   5  -7.798   5.702  14.775
   18    HA   SER   5           HA       SER   5 -10.275   4.127  14.892
   19    HB2  SER   5           1HB      SER   5 -10.555   4.367  12.457
   20    HB3  SER   5           2HB      SER   5 -10.629   5.932  13.266
   21    HG   SER   5           HG       SER   5  -9.298   6.084  11.460
   22    H    SER   6           H        SER   6 -10.180   2.201  13.426
   23    HA   SER   6           HA       SER   6  -7.436   1.219  13.050
   24    HB2  SER   6           1HB      SER   6  -7.703  -0.596  14.387
   25    HB3  SER   6           2HB      SER   6  -8.948   0.388  15.155
   26    HG   SER   6           HG       SER   6 -10.429  -0.888  14.373
   27    H    GLY   7           H        GLY   7  -7.197  -0.427  11.461
   28    HA2  GLY   7           1HA      GLY   7  -8.837  -1.860   9.976
   29    HA3  GLY   7           2HA      GLY   7  -9.249  -0.257   9.384
   30    H    HIS   8           H        HIS   8  -8.533  -1.230   7.319
   31    HA   HIS   8           HA       HIS   8  -5.606  -1.294   7.052
   32    HB2  HIS   8           1HB      HIS   8  -7.838  -2.524   5.466
   33    HB3  HIS   8           2HB      HIS   8  -6.259  -2.272   4.727
   34    HD2  HIS   8           HD2      HIS   8  -5.261  -4.802   4.700
   35    HE1  HIS   8           HE1      HIS   8  -5.977  -5.734   8.777
   36    HE2  HIS   8           HE2      HIS   8  -4.866  -6.468   6.639
   37    H    GLU   9           H        GLU   9  -6.812   1.202   7.335
   38    HA   GLU   9           HA       GLU   9  -6.991   3.261   6.375
   39    HB2  GLU   9           1HB      GLU   9  -5.112   2.216   4.264
   40    HB3  GLU   9           2HB      GLU   9  -5.270   3.864   4.853
   41    HG2  GLU   9           1HG      GLU   9  -4.624   2.563   7.137
   42    HG3  GLU   9           2HG      GLU   9  -3.753   1.605   5.941
   43    H    ASP  10           H        ASP  10  -6.989   4.234   3.844
   44    HA   ASP  10           HA       ASP  10  -8.612   2.674   2.073
   45    HB2  ASP  10           1HB      ASP  10 -10.065   3.795   4.057
   46    HB3  ASP  10           2HB      ASP  10 -10.064   5.119   2.896
   47    H    PHE  11           H        PHE  11  -6.146   4.300   2.117
   48    HA   PHE  11           HA       PHE  11  -6.719   5.860  -0.277
   49    HB2  PHE  11           1HB      PHE  11  -5.110   7.075   1.969
   50    HB3  PHE  11           2HB      PHE  11  -5.668   7.858   0.494
   51    HD1  PHE  11           HD1      PHE  11  -8.144   8.223   0.187
   52    HD2  PHE  11           HD2      PHE  11  -6.419   7.072   3.904
   53    HE1  PHE  11           HE1      PHE  11 -10.166   8.993   1.360
   54    HE2  PHE  11           HE2      PHE  11  -8.438   7.839   5.083
   55    HZ   PHE  11           HZ       PHE  11 -10.315   8.800   3.811
   56    H    CYS  12           H        CYS  12  -5.061   5.899  -1.732
   57    HA   CYS  12           HA       CYS  12  -3.147   3.910  -1.715
   58    HB2  CYS  12           1HB      CYS  12  -3.885   5.174  -3.725
   59    HB3  CYS  12           2HB      CYS  12  -2.947   6.556  -3.168
   60    H    SER  13           H        SER  13  -1.066   3.715  -1.053
   61    HA   SER  13           HA       SER  13  -0.084   5.780   0.766
   62    HB2  SER  13           1HB      SER  13   0.528   2.868   0.369
   63    HB3  SER  13           2HB      SER  13   1.682   3.901   1.212
   64    HG   SER  13           HG       SER  13  -0.271   2.734   2.331
   65    H    VAL  14           H        VAL  14   0.025   6.385  -1.987
   66    HA   VAL  14           HA       VAL  14   2.885   6.835  -2.256
   67    HB   VAL  14           HB       VAL  14   1.294   5.499  -4.450
   68   HG11  VAL  14          1HG1      VAL  14   3.977   6.804  -4.384
   69   HG12  VAL  14          2HG1      VAL  14   3.712   5.415  -5.440
   70   HG13  VAL  14          3HG1      VAL  14   2.726   6.867  -5.625
   71   HG21  VAL  14          3HG2      VAL  14   2.895   3.653  -4.164
   72   HG22  VAL  14          1HG2      VAL  14   3.606   4.500  -2.789
   73   HG23  VAL  14          2HG2      VAL  14   1.938   3.932  -2.710
   74    H    CYS  15           H        CYS  15  -0.322   7.271  -3.716
   75    HA   CYS  15           HA       CYS  15   0.490   9.998  -4.485
   76    HB2  CYS  15           1HB      CYS  15  -1.127   9.898  -6.288
   77    HB3  CYS  15           2HB      CYS  15  -0.044   8.514  -6.401
   78    H    ARG  16           H        ARG  16  -1.761   8.043  -2.745
   79    HA   ARG  16           HA       ARG  16  -3.450   8.540  -1.306
   80    HB2  ARG  16           1HB      ARG  16  -1.759  10.946  -1.311
   81    HB3  ARG  16           2HB      ARG  16  -3.416  11.224  -0.791
   82    HG2  ARG  16           1HG      ARG  16  -3.199   9.895   1.073
   83    HG3  ARG  16           2HG      ARG  16  -1.876   8.956   0.379
   84    HD2  ARG  16           1HD      ARG  16  -0.372  10.842   0.626
   85    HD3  ARG  16           2HD      ARG  16  -1.692  11.842   1.232
   86    HE   ARG  16           HE       ARG  16  -1.398  10.898   3.289
   87   HH11  ARG  16          1HH1      ARG  16   0.098   8.859   0.895
   88   HH12  ARG  16          2HH1      ARG  16   0.807   7.790   2.060
   89   HH21  ARG  16          1HH2      ARG  16  -0.470   9.497   4.831
   90   HH22  ARG  16          2HH2      ARG  16   0.483   8.154   4.298
   91    H    LYS  17           H        LYS  17  -4.947   8.063  -3.016
   92    HA   LYS  17           HA       LYS  17  -6.563  10.395  -3.721
   93    HB2  LYS  17           1HB      LYS  17  -5.101   8.681  -5.607
   94    HB3  LYS  17           2HB      LYS  17  -6.804   8.883  -5.994
   95    HG2  LYS  17           1HG      LYS  17  -6.434  11.368  -5.795
   96    HG3  LYS  17           2HG      LYS  17  -4.706  11.016  -5.725
   97    HD2  LYS  17           1HD      LYS  17  -4.654  10.220  -7.909
   98    HD3  LYS  17           2HD      LYS  17  -6.393   9.922  -7.945
   99    HE2  LYS  17           1HE      LYS  17  -6.664  12.445  -7.740
  100    HE3  LYS  17           2HE      LYS  17  -4.943  12.551  -8.105
  101    HZ1  LYS  17           3HZ      LYS  17  -5.868  12.736 -10.176
  102    HZ2  LYS  17           1HZ      LYS  17  -7.157  11.694  -9.834
  103    HZ3  LYS  17           2HZ      LYS  17  -5.612  11.065 -10.110
  104    H    SER  18           H        SER  18  -8.765   9.929  -4.118
  105    HA   SER  18           HA       SER  18  -9.741   7.670  -2.645
  106    HB2  SER  18           1HB      SER  18 -11.996   8.587  -3.299
  107    HB3  SER  18           2HB      SER  18 -10.957   9.732  -2.450
  108    HG   SER  18           HG       SER  18 -10.838   9.676  -5.239
  109    H    GLY  19           H        GLY  19 -10.898   5.906  -3.396
  110    HA2  GLY  19           1HA      GLY  19 -12.075   5.150  -5.590
  111    HA3  GLY  19           2HA      GLY  19 -10.445   5.285  -6.231
  112    H    GLN  20           H        GLN  20 -11.001   2.955  -6.711
  113    HA   GLN  20           HA       GLN  20 -11.078   1.077  -4.575
  114    HB2  GLN  20           1HB      GLN  20 -11.989   0.562  -6.791
  115    HB3  GLN  20           2HB      GLN  20 -10.380   0.678  -7.490
  116    HG2  GLN  20           1HG      GLN  20  -9.733  -1.342  -6.695
  117    HG3  GLN  20           2HG      GLN  20 -10.747  -1.227  -5.258
  118   HE21  GLN  20          1HE2      GLN  20 -13.124  -1.354  -5.685
  119   HE22  GLN  20          2HE2      GLN  20 -13.654  -2.494  -6.870
  120    H    LEU  21           H        LEU  21  -9.477   0.099  -3.491
  121    HA   LEU  21           HA       LEU  21  -6.722   0.435  -4.467
  122    HB2  LEU  21           1HB      LEU  21  -7.916   1.265  -1.915
  123    HB3  LEU  21           2HB      LEU  21  -6.395   0.386  -1.769
  124    HG   LEU  21           HG       LEU  21  -6.451   2.627  -3.703
  125   HD11  LEU  21          1HD1      LEU  21  -6.155   3.248  -0.788
  126   HD12  LEU  21          2HD1      LEU  21  -7.725   3.340  -1.586
  127   HD13  LEU  21          3HD1      LEU  21  -6.392   4.351  -2.144
  128   HD21  LEU  21          3HD2      LEU  21  -4.220   2.652  -3.339
  129   HD22  LEU  21          1HD2      LEU  21  -4.523   1.004  -2.786
  130   HD23  LEU  21          2HD2      LEU  21  -4.384   2.316  -1.615
  131    H    LEU  22           H        LEU  22  -5.255  -1.213  -3.900
  132    HA   LEU  22           HA       LEU  22  -6.487  -3.801  -3.595
  133    HB2  LEU  22           1HB      LEU  22  -4.446  -3.080  -5.060
  134    HB3  LEU  22           2HB      LEU  22  -3.533  -3.368  -3.581
  135    HG   LEU  22           HG       LEU  22  -4.306  -5.695  -3.564
  136   HD11  LEU  22          1HD1      LEU  22  -5.276  -6.324  -5.976
  137   HD12  LEU  22          2HD1      LEU  22  -5.966  -4.711  -5.801
  138   HD13  LEU  22          3HD1      LEU  22  -6.303  -5.949  -4.592
  139   HD21  LEU  22          3HD2      LEU  22  -2.798  -6.453  -5.141
  140   HD22  LEU  22          1HD2      LEU  22  -2.260  -4.793  -4.885
  141   HD23  LEU  22          2HD2      LEU  22  -3.223  -5.198  -6.306
  142    H    MET  23           H        MET  23  -5.914  -5.354  -1.987
  143    HA   MET  23           HA       MET  23  -5.034  -4.132   0.547
  144    HB2  MET  23           1HB      MET  23  -6.877  -6.507   0.260
  145    HB3  MET  23           2HB      MET  23  -6.499  -5.622   1.732
  146    HG2  MET  23           1HG      MET  23  -7.616  -3.643   0.814
  147    HG3  MET  23           2HG      MET  23  -8.019  -4.557  -0.637
  148    HE1  MET  23           3HE      MET  23 -10.481  -3.284   0.450
  149    HE2  MET  23           1HE      MET  23 -11.178  -3.895   1.951
  150    HE3  MET  23           2HE      MET  23  -9.663  -2.994   1.986
  151    H    CYS  24           H        CYS  24  -3.625  -5.274   1.862
  152    HA   CYS  24           HA       CYS  24  -2.098  -7.351   0.491
  153    HB2  CYS  24           1HB      CYS  24  -0.868  -5.443   1.428
  154    HB3  CYS  24           2HB      CYS  24  -1.495  -5.819   3.030
  155    H    ASP  25           H        ASP  25  -1.697  -9.377   1.349
  156    HA   ASP  25           HA       ASP  25  -3.658 -10.275   3.324
  157    HB2  ASP  25           1HB      ASP  25  -3.098 -11.375   0.973
  158    HB3  ASP  25           2HB      ASP  25  -1.841 -12.175   1.913
  159    H    THR  26           H        THR  26  -1.633  -8.764   4.418
  160    HA   THR  26           HA       THR  26  -0.530 -10.623   6.311
  161    HB   THR  26           HB       THR  26   1.726  -9.055   5.469
  162    HG1  THR  26           HG1      THR  26   0.983 -10.898   3.471
  163   HG21  THR  26          3HG2      THR  26   1.185 -12.026   5.498
  164   HG22  THR  26          1HG2      THR  26   1.889 -11.075   6.805
  165   HG23  THR  26          2HG2      THR  26   2.774 -11.288   5.294
  166    H    CYS  27           H        CYS  27   0.335  -7.363   5.140
  167    HA   CYS  27           HA       CYS  27   0.184  -6.370   7.877
  168    HB2  CYS  27           1HB      CYS  27   1.304  -4.403   7.065
  169    HB3  CYS  27           2HB      CYS  27   2.126  -5.811   6.401
  170    H    SER  28           H        SER  28  -0.509  -3.768   7.566
  171    HA   SER  28           HA       SER  28  -3.273  -3.912   6.551
  172    HB2  SER  28           1HB      SER  28  -3.679  -2.102   8.364
  173    HB3  SER  28           2HB      SER  28  -3.530  -3.782   8.877
  174    HG   SER  28           HG       SER  28  -2.148  -2.798  10.195
  175    H    ARG  29           H        ARG  29  -1.706  -3.173   4.649
  176    HA   ARG  29           HA       ARG  29  -1.943  -0.244   4.540
  177    HB2  ARG  29           1HB      ARG  29   0.338  -1.783   3.299
  178    HB3  ARG  29           2HB      ARG  29   0.160  -0.037   3.410
  179    HG2  ARG  29           1HG      ARG  29   0.040  -1.076   6.039
  180    HG3  ARG  29           2HG      ARG  29   1.419  -1.818   5.225
  181    HD2  ARG  29           1HD      ARG  29   2.478   0.203   4.891
  182    HD3  ARG  29           2HD      ARG  29   0.976   1.122   4.977
  183    HE   ARG  29           HE       ARG  29   1.278   1.313   7.232
  184   HH11  ARG  29          1HH1      ARG  29   3.258  -1.296   6.051
  185   HH12  ARG  29          2HH1      ARG  29   4.056  -1.549   7.567
  186   HH21  ARG  29          1HH2      ARG  29   2.322   0.989   9.233
  187   HH22  ARG  29          2HH2      ARG  29   3.523  -0.250   9.377
  188    H    VAL  30           H        VAL  30  -2.575   0.618   2.583
  189    HA   VAL  30           HA       VAL  30  -3.501  -1.344   0.592
  190    HB   VAL  30           HB       VAL  30  -5.026   0.535  -0.163
  191   HG11  VAL  30          1HG1      VAL  30  -6.264  -1.022   0.917
  192   HG12  VAL  30          2HG1      VAL  30  -5.218  -1.026   2.339
  193   HG13  VAL  30          3HG1      VAL  30  -6.404   0.261   2.118
  194   HG21  VAL  30          3HG2      VAL  30  -4.286   1.711   2.514
  195   HG22  VAL  30          1HG2      VAL  30  -3.759   2.345   0.955
  196   HG23  VAL  30          2HG2      VAL  30  -5.472   2.342   1.372
  197    H    TYR  31           H        TYR  31  -3.077  -1.046  -1.575
  198    HA   TYR  31           HA       TYR  31  -1.513   1.277  -2.399
  199    HB2  TYR  31           1HB      TYR  31  -0.556  -1.549  -2.896
  200    HB3  TYR  31           2HB      TYR  31   0.242  -0.065  -3.407
  201    HD1  TYR  31           HD2      TYR  31   1.169   1.480  -1.638
  202    HD2  TYR  31           HD1      TYR  31  -0.173  -2.459  -0.755
  203    HE1  TYR  31           HE2      TYR  31   2.442   1.525   0.466
  204    HE2  TYR  31           HE1      TYR  31   1.095  -2.425   1.353
  205    HH   TYR  31           HH       TYR  31   2.512  -1.290   2.631
  206    H    HIS  32           H        HIS  32  -2.001   1.940  -4.405
  207    HA   HIS  32           HA       HIS  32  -4.208   0.937  -5.782
  208    HB2  HIS  32           1HB      HIS  32  -2.040   2.879  -6.404
  209    HB3  HIS  32           2HB      HIS  32  -3.003   2.283  -7.752
  210    HD2  HIS  32           HD2      HIS  32  -5.846   2.312  -5.823
  211    HE1  HIS  32           HE1      HIS  32  -5.127   6.488  -6.021
  212    HE2  HIS  32           HE2      HIS  32  -6.790   4.689  -5.437
  213    H    LEU  33           H        LEU  33  -3.892   0.485  -8.314
  214    HA   LEU  33           HA       LEU  33  -2.413  -2.020  -8.413
  215    HB2  LEU  33           1HB      LEU  33  -4.583  -0.765 -10.019
  216    HB3  LEU  33           2HB      LEU  33  -3.571  -1.990 -10.782
  217    HG   LEU  33           HG       LEU  33  -5.217  -2.393  -8.284
  218   HD11  LEU  33          1HD1      LEU  33  -5.846  -2.592 -11.123
  219   HD12  LEU  33          2HD1      LEU  33  -6.916  -2.555  -9.722
  220   HD13  LEU  33          3HD1      LEU  33  -6.176  -4.074 -10.225
  221   HD21  LEU  33          3HD2      LEU  33  -3.575  -3.960  -8.034
  222   HD22  LEU  33          1HD2      LEU  33  -3.257  -4.067  -9.766
  223   HD23  LEU  33          2HD2      LEU  33  -4.679  -4.853  -9.081
  224    H    ASP  34           H        ASP  34  -2.243   1.209  -9.643
  225    HA   ASP  34           HA       ASP  34  -0.129   0.458 -11.533
  226    HB2  ASP  34           1HB      ASP  34  -0.459   2.548 -12.601
  227    HB3  ASP  34           2HB      ASP  34  -2.073   1.942 -12.239
  228    H    CYS  35           H        CYS  35  -0.667   1.941  -8.482
  229    HA   CYS  35           HA       CYS  35   1.977   3.189  -8.460
  230    HB2  CYS  35           1HB      CYS  35  -0.077   3.215  -6.247
  231    HB3  CYS  35           2HB      CYS  35   1.298   4.295  -6.452
  232    H    LEU  36           H        LEU  36   2.488   0.657  -8.669
  233    HA   LEU  36           HA       LEU  36   3.052  -0.287  -5.935
  234    HB2  LEU  36           1HB      LEU  36   2.276  -1.786  -8.408
  235    HB3  LEU  36           2HB      LEU  36   3.183  -2.580  -7.122
  236    HG   LEU  36           HG       LEU  36   0.492  -1.270  -6.750
  237   HD11  LEU  36          1HD1      LEU  36  -0.336  -3.052  -7.797
  238   HD12  LEU  36          2HD1      LEU  36   0.196  -3.989  -6.401
  239   HD13  LEU  36          3HD1      LEU  36   1.229  -3.865  -7.825
  240   HD21  LEU  36          3HD2      LEU  36   2.369  -2.775  -4.979
  241   HD22  LEU  36          1HD2      LEU  36   0.630  -2.870  -4.700
  242   HD23  LEU  36          2HD2      LEU  36   1.446  -1.307  -4.651
  243    H    ASP  37           H        ASP  37   4.883  -2.125  -6.204
  244    HA   ASP  37           HA       ASP  37   6.956  -1.287  -8.061
  245    HB2  ASP  37           1HB      ASP  37   6.915  -0.413  -5.326
  246    HB3  ASP  37           2HB      ASP  37   8.286  -1.491  -5.572
  247    HA   PRO  38           HA       PRO  38   7.493  -2.241  -9.590
  248    HB2  PRO  38           1HB      PRO  38   6.650  -4.155 -11.321
  249    HB3  PRO  38           2HB      PRO  38   8.333  -4.002 -10.804
  250    HG2  PRO  38           1HG      PRO  38   6.209  -5.866  -9.816
  251    HG3  PRO  38           2HG      PRO  38   7.913  -6.201 -10.175
  252    HD2  PRO  38           1HD      PRO  38   7.004  -5.820  -7.654
  253    HD3  PRO  38           2HD      PRO  38   8.636  -5.344  -8.162
  254    HA   PRO  39           HA       PRO  39   3.253  -1.156 -10.009
  255    HB2  PRO  39           1HB      PRO  39   3.029  -0.595 -12.656
  256    HB3  PRO  39           2HB      PRO  39   3.899   0.447 -11.524
  257    HG2  PRO  39           1HG      PRO  39   4.976  -1.598 -13.426
  258    HG3  PRO  39           2HG      PRO  39   5.587   0.028 -13.067
  259    HD2  PRO  39           1HD      PRO  39   6.679  -2.208 -11.998
  260    HD3  PRO  39           2HD      PRO  39   6.638  -0.658 -11.134
  261    H    LEU  40           H        LEU  40   1.186  -1.756 -10.910
  262    HA   LEU  40           HA       LEU  40   1.172  -4.376 -12.251
  263    HB2  LEU  40           1HB      LEU  40  -0.094  -3.537  -9.722
  264    HB3  LEU  40           2HB      LEU  40  -1.101  -4.493 -10.808
  265    HG   LEU  40           HG       LEU  40   1.573  -5.332  -9.688
  266   HD11  LEU  40          1HD1      LEU  40   0.508  -6.277  -7.977
  267   HD12  LEU  40          2HD1      LEU  40  -0.756  -6.929  -9.019
  268   HD13  LEU  40          3HD1      LEU  40  -0.875  -5.275  -8.418
  269   HD21  LEU  40          3HD2      LEU  40  -0.350  -6.622 -11.595
  270   HD22  LEU  40          1HD2      LEU  40   0.755  -7.579 -10.609
  271   HD23  LEU  40          2HD2      LEU  40   1.393  -6.401 -11.756
  272    H    LYS  41           H        LYS  41  -1.270  -4.843 -12.909
  273    HA   LYS  41           HA       LYS  41  -2.481  -2.402 -13.993
  274    HB2  LYS  41           1HB      LYS  41  -1.157  -3.202 -15.820
  275    HB3  LYS  41           2HB      LYS  41  -1.705  -4.855 -15.571
  276    HG2  LYS  41           1HG      LYS  41  -3.485  -4.550 -16.860
  277    HG3  LYS  41           2HG      LYS  41  -3.922  -3.055 -16.031
  278    HD2  LYS  41           1HD      LYS  41  -2.629  -1.743 -17.460
  279    HD3  LYS  41           2HD      LYS  41  -1.659  -3.117 -17.997
  280    HE2  LYS  41           1HE      LYS  41  -3.645  -4.029 -19.142
  281    HE3  LYS  41           2HE      LYS  41  -4.560  -2.604 -18.652
  282    HZ1  LYS  41           3HZ      LYS  41  -2.510  -2.880 -20.705
  283    HZ2  LYS  41           1HZ      LYS  41  -2.515  -1.431 -19.830
  284    HZ3  LYS  41           2HZ      LYS  41  -3.896  -1.910 -20.682
  285    H    THR  42           H        THR  42  -3.040  -5.899 -14.373
  286    HA   THR  42           HA       THR  42  -5.851  -5.482 -13.705
  287    HB   THR  42           HB       THR  42  -6.265  -7.683 -14.571
  288    HG1  THR  42           HG1      THR  42  -4.752  -9.149 -14.466
  289   HG21  THR  42          3HG2      THR  42  -4.201  -6.604 -16.460
  290   HG22  THR  42          1HG2      THR  42  -5.689  -5.711 -16.147
  291   HG23  THR  42          2HG2      THR  42  -5.763  -7.340 -16.821
  292    H    ILE  43           H        ILE  43  -6.641  -7.830 -12.657
  293    HA   ILE  43           HA       ILE  43  -5.807  -7.613  -9.941
  294    HB   ILE  43           HB       ILE  43  -7.522  -9.736 -11.236
  295   HG12  ILE  43          1HG1      ILE  43  -8.303  -7.200  -9.781
  296   HG13  ILE  43          2HG1      ILE  43  -8.419  -7.457 -11.518
  297   HG21  ILE  43          1HG2      ILE  43  -8.143  -9.244  -8.497
  298   HG22  ILE  43          2HG2      ILE  43  -7.603 -10.739  -9.260
  299   HG23  ILE  43          3HG2      ILE  43  -6.420  -9.587  -8.641
  300   HD11  ILE  43          3HD1      ILE  43 -10.307  -8.072  -9.494
  301   HD12  ILE  43          1HD1      ILE  43 -10.452  -8.266 -11.240
  302   HD13  ILE  43          2HD1      ILE  43  -9.794  -9.576 -10.259
  303    HA   PRO  44           HA       PRO  44  -2.319 -10.381 -10.437
  304    HB2  PRO  44           1HB      PRO  44  -1.418 -10.093  -7.893
  305    HB3  PRO  44           2HB      PRO  44  -1.132  -8.889  -9.155
  306    HG2  PRO  44           1HG      PRO  44  -3.198  -8.907  -6.988
  307    HG3  PRO  44           2HG      PRO  44  -2.193  -7.565  -7.565
  308    HD2  PRO  44           1HD      PRO  44  -4.775  -7.878  -8.315
  309    HD3  PRO  44           2HD      PRO  44  -3.551  -7.164  -9.384
  310    H    LYS  45           H        LYS  45  -3.582 -12.287 -10.659
  311    HA   LYS  45           HA       LYS  45  -5.046 -13.583  -8.709
  312    HB2  LYS  45           1HB      LYS  45  -4.847 -15.559 -10.016
  313    HB3  LYS  45           2HB      LYS  45  -4.841 -14.211 -11.146
  314    HG2  LYS  45           1HG      LYS  45  -2.194 -14.497 -10.728
  315    HG3  LYS  45           2HG      LYS  45  -2.736 -16.164 -10.513
  316    HD2  LYS  45           1HD      LYS  45  -4.090 -15.187 -12.772
  317    HD3  LYS  45           2HD      LYS  45  -2.416 -14.651 -12.935
  318    HE2  LYS  45           1HE      LYS  45  -1.624 -16.917 -12.669
  319    HE3  LYS  45           2HE      LYS  45  -3.262 -17.487 -12.352
  320    HZ1  LYS  45           3HZ      LYS  45  -1.990 -17.277 -14.808
  321    HZ2  LYS  45           1HZ      LYS  45  -3.198 -16.093 -14.802
  322    HZ3  LYS  45           2HZ      LYS  45  -3.598 -17.711 -14.515
  323    H    GLY  46           H        GLY  46  -4.535 -15.478  -7.411
  324    HA2  GLY  46           1HA      GLY  46  -3.206 -16.745  -6.004
  325    HA3  GLY  46           2HA      GLY  46  -1.790 -16.090  -6.813
  326    H    MET  47           H        MET  47  -1.949 -16.490  -4.038
  327    HA   MET  47           HA       MET  47  -2.719 -14.342  -2.486
  328    HB2  MET  47           1HB      MET  47  -1.882 -16.470  -1.576
  329    HB3  MET  47           2HB      MET  47  -0.261 -16.065  -2.123
  330    HG2  MET  47           1HG      MET  47  -0.051 -14.326  -0.561
  331    HG3  MET  47           2HG      MET  47  -1.779 -14.322  -0.215
  332    HE1  MET  47           3HE      MET  47   0.881 -14.357   1.471
  333    HE2  MET  47           1HE      MET  47  -0.390 -14.514   2.684
  334    HE3  MET  47           2HE      MET  47   0.935 -15.677   2.640
  335    H    TRP  48           H        TRP  48  -2.331 -12.288  -3.070
  336    HA   TRP  48           HA       TRP  48   0.297 -11.522  -4.069
  337    HB2  TRP  48           1HB      TRP  48  -1.751 -10.670  -5.180
  338    HB3  TRP  48           2HB      TRP  48  -2.187  -9.836  -3.691
  339    HD1  TRP  48           HD1      TRP  48   0.380  -9.704  -6.545
  340    HE1  TRP  48           HE1      TRP  48   1.425  -7.352  -6.591
  341    HE3  TRP  48           HE3      TRP  48  -1.706  -7.807  -2.281
  342    HZ2  TRP  48           HZ2      TRP  48   1.372  -5.003  -5.026
  343    HZ3  TRP  48           HZ3      TRP  48  -1.157  -5.500  -1.625
  344    HH2  TRP  48           HH2      TRP  48   0.350  -4.129  -2.970
  345    H    ILE  49           H        ILE  49   1.645 -10.024  -3.076
  346    HA   ILE  49           HA       ILE  49   0.924  -9.126  -0.382
  347    HB   ILE  49           HB       ILE  49   3.564 -10.456  -0.996
  348   HG12  ILE  49          1HG1      ILE  49   1.226 -11.494   0.619
  349   HG13  ILE  49          2HG1      ILE  49   1.694 -12.073  -0.975
  350   HG21  ILE  49          1HG2      ILE  49   2.373  -9.396   1.561
  351   HG22  ILE  49          2HG2      ILE  49   3.855 -10.346   1.462
  352   HG23  ILE  49          3HG2      ILE  49   3.772  -8.760   0.698
  353   HD11  ILE  49          3HD1      ILE  49   3.968 -12.203   0.711
  354   HD12  ILE  49          1HD1      ILE  49   2.605 -12.936   1.556
  355   HD13  ILE  49          2HD1      ILE  49   3.070 -13.522  -0.041
  356    H    CYS  50           H        CYS  50   1.390  -7.049  -0.100
  357    HA   CYS  50           HA       CYS  50   2.407  -5.384  -2.052
  358    HB2  CYS  50           1HB      CYS  50   2.476  -3.661  -0.402
  359    HB3  CYS  50           2HB      CYS  50   1.124  -4.709   0.016
  360    HA   PRO  51           HA       PRO  51   6.776  -5.802  -2.042
  361    HB2  PRO  51           1HB      PRO  51   7.544  -3.266  -2.632
  362    HB3  PRO  51           2HB      PRO  51   6.798  -4.344  -3.817
  363    HG2  PRO  51           1HG      PRO  51   5.552  -2.153  -2.202
  364    HG3  PRO  51           2HG      PRO  51   5.321  -2.551  -3.914
  365    HD2  PRO  51           1HD      PRO  51   3.550  -3.275  -1.998
  366    HD3  PRO  51           2HD      PRO  51   3.843  -4.257  -3.448
  367    H    ARG  52           H        ARG  52   5.179  -3.775   0.199
  368    HA   ARG  52           HA       ARG  52   7.525  -2.855   1.579
  369    HB2  ARG  52           1HB      ARG  52   4.612  -2.551   1.848
  370    HB3  ARG  52           2HB      ARG  52   5.484  -2.568   3.375
  371    HG2  ARG  52           1HG      ARG  52   5.283  -0.307   2.699
  372    HG3  ARG  52           2HG      ARG  52   6.966  -0.778   2.450
  373    HD2  ARG  52           1HD      ARG  52   5.069  -1.105   0.185
  374    HD3  ARG  52           2HD      ARG  52   5.584   0.529   0.604
  375    HE   ARG  52           HE       ARG  52   7.146  -1.490  -0.680
  376   HH11  ARG  52          1HH1      ARG  52   7.300   1.282   1.422
  377   HH12  ARG  52          2HH1      ARG  52   8.936   1.670   1.004
  378   HH21  ARG  52          1HH2      ARG  52   9.301  -0.988  -1.237
  379   HH22  ARG  52          2HH2      ARG  52  10.073   0.379  -0.509
  380    H    CYS  53           H        CYS  53   5.507  -5.657   1.670
  381    HA   CYS  53           HA       CYS  53   6.398  -6.485   4.300
  382    HB2  CYS  53           1HB      CYS  53   4.530  -7.596   2.240
  383    HB3  CYS  53           2HB      CYS  53   5.153  -8.657   3.499
  384    H    GLN  54           H        GLN  54   6.695  -7.758   0.983
  385    HA   GLN  54           HA       GLN  54   8.413  -9.858   1.484
  386    HB2  GLN  54           1HB      GLN  54   8.204  -8.043  -0.916
  387    HB3  GLN  54           2HB      GLN  54   9.229  -9.471  -0.887
  388    HG2  GLN  54           1HG      GLN  54   6.425  -9.887  -0.093
  389    HG3  GLN  54           2HG      GLN  54   6.698  -9.455  -1.780
  390   HE21  GLN  54          1HE2      GLN  54   6.912 -11.121  -3.073
  391   HE22  GLN  54          2HE2      GLN  54   7.560 -12.666  -2.655
  392    H    ASP  55           H        ASP  55   9.105  -6.440   1.298
  393    HA   ASP  55           HA       ASP  55  11.916  -6.624   1.057
  394    HB2  ASP  55           1HB      ASP  55  10.067  -4.572   1.072
  395    HB3  ASP  55           2HB      ASP  55  10.960  -4.309   2.568
  396    H    GLN  56           H        GLN  56  13.531  -6.262   2.661
  397    HA   GLN  56           HA       GLN  56  12.689  -7.000   5.386
  398    HB2  GLN  56           1HB      GLN  56  14.785  -8.249   5.627
  399    HB3  GLN  56           2HB      GLN  56  13.813  -8.881   4.305
  400    HG2  GLN  56           1HG      GLN  56  15.557  -8.682   2.969
  401    HG3  GLN  56           2HG      GLN  56  15.498  -6.934   3.187
  402   HE21  GLN  56          1HE2      GLN  56  17.769  -8.785   2.835
  403   HE22  GLN  56          2HE2      GLN  56  18.807  -8.501   4.187
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -8.007   8.379   9.724
    2    HA2  GLY   1           1HA      GLY   1  -9.873   9.648  11.010
    3    HA3  GLY   1           2HA      GLY   1 -10.458   9.964   9.383
    4    H    SER   2           H        SER   2 -12.021   8.657  11.254
    5    HA   SER   2           HA       SER   2 -11.833   5.814  10.935
    6    HB2  SER   2           1HB      SER   2 -14.093   7.527  11.996
    7    HB3  SER   2           2HB      SER   2 -14.004   5.770  12.118
    8    HG   SER   2           HG       SER   2 -12.899   6.093  13.863
    9    H    SER   3           H        SER   3 -12.845   4.510   9.513
   10    HA   SER   3           HA       SER   3 -15.130   5.260   8.002
   11    HB2  SER   3           1HB      SER   3 -13.573   4.909   5.796
   12    HB3  SER   3           2HB      SER   3 -14.032   6.486   6.439
   13    HG   SER   3           HG       SER   3 -11.868   6.592   6.299
   14    H    GLY   4           H        GLY   4 -16.176   3.400   7.815
   15    HA2  GLY   4           1HA      GLY   4 -16.404   1.237   6.820
   16    HA3  GLY   4           2HA      GLY   4 -14.671   1.007   7.005
   17    H    SER   5           H        SER   5 -13.984  -0.174   8.670
   18    HA   SER   5           HA       SER   5 -15.688  -0.432  11.040
   19    HB2  SER   5           1HB      SER   5 -16.218  -2.344   9.567
   20    HB3  SER   5           2HB      SER   5 -14.513  -2.792   9.549
   21    HG   SER   5           HG       SER   5 -16.082  -3.802  11.158
   22    H    SER   6           H        SER   6 -13.265   1.033  10.614
   23    HA   SER   6           HA       SER   6 -11.219   1.402  11.541
   24    HB2  SER   6           1HB      SER   6 -12.131  -0.532  13.680
   25    HB3  SER   6           2HB      SER   6 -10.943   0.761  13.845
   26    HG   SER   6           HG       SER   6 -12.511   2.224  13.900
   27    H    GLY   7           H        GLY   7 -10.865  -0.211   9.519
   28    HA2  GLY   7           1HA      GLY   7  -8.769  -2.017  10.449
   29    HA3  GLY   7           2HA      GLY   7 -10.071  -2.740   9.516
   30    H    HIS   8           H        HIS   8  -7.024  -1.634   9.274
   31    HA   HIS   8           HA       HIS   8  -5.652  -1.097   7.541
   32    HB2  HIS   8           1HB      HIS   8  -7.983  -1.903   5.792
   33    HB3  HIS   8           2HB      HIS   8  -6.295  -1.794   5.303
   34    HD2  HIS   8           HD2      HIS   8  -4.951  -4.138   5.503
   35    HE1  HIS   8           HE1      HIS   8  -7.657  -6.146   8.081
   36    HE2  HIS   8           HE2      HIS   8  -5.509  -6.319   6.778
   37    H    GLU   9           H        GLU   9  -5.444   0.374   5.580
   38    HA   GLU   9           HA       GLU   9  -6.786   2.863   6.210
   39    HB2  GLU   9           1HB      GLU   9  -4.769   2.412   4.017
   40    HB3  GLU   9           2HB      GLU   9  -5.172   3.921   4.822
   41    HG2  GLU   9           1HG      GLU   9  -4.320   2.684   6.951
   42    HG3  GLU   9           2HG      GLU   9  -3.502   1.649   5.782
   43    H    ASP  10           H        ASP  10  -7.156   4.248   4.039
   44    HA   ASP  10           HA       ASP  10  -8.624   2.641   2.085
   45    HB2  ASP  10           1HB      ASP  10  -9.794   4.743   3.877
   46    HB3  ASP  10           2HB      ASP  10 -10.459   4.494   2.265
   47    H    PHE  11           H        PHE  11  -6.130   4.256   2.133
   48    HA   PHE  11           HA       PHE  11  -6.710   5.828  -0.250
   49    HB2  PHE  11           1HB      PHE  11  -5.102   7.032   2.003
   50    HB3  PHE  11           2HB      PHE  11  -5.649   7.822   0.527
   51    HD1  PHE  11           HD1      PHE  11  -8.088   8.273   0.218
   52    HD2  PHE  11           HD2      PHE  11  -6.457   6.951   3.921
   53    HE1  PHE  11           HE1      PHE  11 -10.113   9.045   1.382
   54    HE2  PHE  11           HE2      PHE  11  -8.480   7.720   5.091
   55    HZ   PHE  11           HZ       PHE  11 -10.312   8.769   3.821
   56    H    CYS  12           H        CYS  12  -5.055   5.874  -1.709
   57    HA   CYS  12           HA       CYS  12  -3.141   3.886  -1.707
   58    HB2  CYS  12           1HB      CYS  12  -3.877   5.158  -3.709
   59    HB3  CYS  12           2HB      CYS  12  -2.947   6.542  -3.143
   60    H    SER  13           H        SER  13  -1.046   3.695  -1.074
   61    HA   SER  13           HA       SER  13  -0.067   5.735   0.775
   62    HB2  SER  13           1HB      SER  13  -0.123   3.002   0.966
   63    HB3  SER  13           2HB      SER  13   1.536   3.291   0.444
   64    HG   SER  13           HG       SER  13   0.637   3.494   2.863
   65    H    VAL  14           H        VAL  14   0.022   6.363  -1.983
   66    HA   VAL  14           HA       VAL  14   2.882   6.832  -2.256
   67    HB   VAL  14           HB       VAL  14   1.276   5.553  -4.474
   68   HG11  VAL  14          1HG1      VAL  14   3.377   5.571  -5.728
   69   HG12  VAL  14          2HG1      VAL  14   2.862   7.207  -5.314
   70   HG13  VAL  14          3HG1      VAL  14   4.161   6.433  -4.405
   71   HG21  VAL  14          3HG2      VAL  14   3.586   4.482  -2.855
   72   HG22  VAL  14          1HG2      VAL  14   1.907   3.953  -2.748
   73   HG23  VAL  14          2HG2      VAL  14   2.828   3.673  -4.226
   74    H    CYS  15           H        CYS  15  -0.320   7.280  -3.734
   75    HA   CYS  15           HA       CYS  15   0.483  10.025  -4.446
   76    HB2  CYS  15           1HB      CYS  15  -1.192   9.951  -6.214
   77    HB3  CYS  15           2HB      CYS  15  -0.076   8.601  -6.386
   78    H    ARG  16           H        ARG  16  -1.777   8.047  -2.730
   79    HA   ARG  16           HA       ARG  16  -3.437   8.532  -1.253
   80    HB2  ARG  16           1HB      ARG  16  -1.691  10.876  -1.204
   81    HB3  ARG  16           2HB      ARG  16  -3.351  11.245  -0.752
   82    HG2  ARG  16           1HG      ARG  16  -3.295   9.804   1.085
   83    HG3  ARG  16           2HG      ARG  16  -1.864   8.961   0.491
   84    HD2  ARG  16           1HD      ARG  16  -0.435  10.593   1.209
   85    HD3  ARG  16           2HD      ARG  16  -1.637  11.871   1.036
   86    HE   ARG  16           HE       ARG  16  -2.227  11.539   3.214
   87   HH11  ARG  16          1HH1      ARG  16  -0.528   8.722   2.076
   88   HH12  ARG  16          2HH1      ARG  16  -0.485   7.959   3.631
   89   HH21  ARG  16          1HH2      ARG  16  -2.177  10.545   5.267
   90   HH22  ARG  16          2HH2      ARG  16  -1.424   8.997   5.445
   91    H    LYS  17           H        LYS  17  -5.008   8.096  -2.873
   92    HA   LYS  17           HA       LYS  17  -6.573  10.462  -3.581
   93    HB2  LYS  17           1HB      LYS  17  -5.520   8.412  -5.511
   94    HB3  LYS  17           2HB      LYS  17  -6.998   9.301  -5.855
   95    HG2  LYS  17           1HG      LYS  17  -5.606  11.408  -5.449
   96    HG3  LYS  17           2HG      LYS  17  -4.203  10.346  -5.582
   97    HD2  LYS  17           1HD      LYS  17  -4.382  10.239  -7.806
   98    HD3  LYS  17           2HD      LYS  17  -6.115   9.913  -7.725
   99    HE2  LYS  17           1HE      LYS  17  -6.655  12.193  -7.699
  100    HE3  LYS  17           2HE      LYS  17  -5.013  12.667  -7.267
  101    HZ1  LYS  17           3HZ      LYS  17  -4.750  13.048  -9.431
  102    HZ2  LYS  17           1HZ      LYS  17  -6.158  12.210  -9.855
  103    HZ3  LYS  17           2HZ      LYS  17  -4.707  11.369  -9.635
  104    H    SER  18           H        SER  18  -8.702   9.577  -4.736
  105    HA   SER  18           HA       SER  18  -9.756   7.528  -2.915
  106    HB2  SER  18           1HB      SER  18 -11.851   8.546  -3.065
  107    HB3  SER  18           2HB      SER  18 -10.756   9.927  -3.134
  108    HG   SER  18           HG       SER  18 -11.732  10.362  -4.937
  109    H    GLY  19           H        GLY  19 -11.112   5.863  -3.701
  110    HA2  GLY  19           1HA      GLY  19 -12.207   5.101  -5.903
  111    HA3  GLY  19           2HA      GLY  19 -10.560   5.181  -6.512
  112    H    GLN  20           H        GLN  20 -10.613   2.957  -7.019
  113    HA   GLN  20           HA       GLN  20 -11.005   1.037  -4.889
  114    HB2  GLN  20           1HB      GLN  20 -10.867   0.982  -7.796
  115    HB3  GLN  20           2HB      GLN  20  -9.950  -0.329  -7.065
  116    HG2  GLN  20           1HG      GLN  20 -11.791  -1.438  -6.511
  117    HG3  GLN  20           2HG      GLN  20 -12.549   0.001  -5.831
  118   HE21  GLN  20          1HE2      GLN  20 -14.438   0.349  -6.731
  119   HE22  GLN  20          2HE2      GLN  20 -14.827   0.158  -8.403
  120    H    LEU  21           H        LEU  21  -9.462   0.072  -3.716
  121    HA   LEU  21           HA       LEU  21  -6.659   0.410  -4.545
  122    HB2  LEU  21           1HB      LEU  21  -7.988   1.246  -2.062
  123    HB3  LEU  21           2HB      LEU  21  -6.475   0.371  -1.834
  124    HG   LEU  21           HG       LEU  21  -6.482   2.638  -3.755
  125   HD11  LEU  21          1HD1      LEU  21  -7.681   3.133  -1.408
  126   HD12  LEU  21          2HD1      LEU  21  -6.677   4.310  -2.253
  127   HD13  LEU  21          3HD1      LEU  21  -5.997   3.356  -0.936
  128   HD21  LEU  21          3HD2      LEU  21  -4.252   2.639  -3.384
  129   HD22  LEU  21          1HD2      LEU  21  -4.568   0.978  -2.883
  130   HD23  LEU  21          2HD2      LEU  21  -4.423   2.251  -1.672
  131    H    LEU  22           H        LEU  22  -5.221  -1.233  -3.891
  132    HA   LEU  22           HA       LEU  22  -6.489  -3.817  -3.585
  133    HB2  LEU  22           1HB      LEU  22  -4.444  -3.133  -5.071
  134    HB3  LEU  22           2HB      LEU  22  -3.531  -3.422  -3.592
  135    HG   LEU  22           HG       LEU  22  -4.381  -5.738  -3.552
  136   HD11  LEU  22          1HD1      LEU  22  -5.906  -4.742  -5.889
  137   HD12  LEU  22          2HD1      LEU  22  -6.361  -5.911  -4.649
  138   HD13  LEU  22          3HD1      LEU  22  -5.288  -6.392  -5.963
  139   HD21  LEU  22          3HD2      LEU  22  -2.334  -4.735  -4.996
  140   HD22  LEU  22          1HD2      LEU  22  -3.257  -5.539  -6.266
  141   HD23  LEU  22          2HD2      LEU  22  -2.699  -6.456  -4.867
  142    H    MET  23           H        MET  23  -5.941  -5.341  -1.949
  143    HA   MET  23           HA       MET  23  -5.023  -4.087   0.555
  144    HB2  MET  23           1HB      MET  23  -7.027  -6.316   0.163
  145    HB3  MET  23           2HB      MET  23  -6.442  -5.761   1.726
  146    HG2  MET  23           1HG      MET  23  -7.285  -3.429   0.731
  147    HG3  MET  23           2HG      MET  23  -8.366  -4.520  -0.134
  148    HE1  MET  23           3HE      MET  23  -8.160  -2.259   2.529
  149    HE2  MET  23           1HE      MET  23  -8.880  -2.949   3.984
  150    HE3  MET  23           2HE      MET  23  -7.219  -3.349   3.548
  151    H    CYS  24           H        CYS  24  -3.582  -5.189   1.849
  152    HA   CYS  24           HA       CYS  24  -2.093  -7.307   0.514
  153    HB2  CYS  24           1HB      CYS  24  -0.849  -5.409   1.448
  154    HB3  CYS  24           2HB      CYS  24  -1.488  -5.768   3.048
  155    H    ASP  25           H        ASP  25  -1.719  -9.336   1.376
  156    HA   ASP  25           HA       ASP  25  -3.693 -10.207   3.350
  157    HB2  ASP  25           1HB      ASP  25  -3.060 -11.314   0.986
  158    HB3  ASP  25           2HB      ASP  25  -1.915 -12.174   2.012
  159    H    THR  26           H        THR  26  -1.663  -8.716   4.452
  160    HA   THR  26           HA       THR  26  -0.582 -10.578   6.351
  161    HB   THR  26           HB       THR  26   1.694  -9.040   5.514
  162    HG1  THR  26           HG1      THR  26   1.925 -10.253   3.461
  163   HG21  THR  26          3HG2      THR  26   1.059 -11.984   5.652
  164   HG22  THR  26          1HG2      THR  26   1.944 -11.013   6.828
  165   HG23  THR  26          2HG2      THR  26   2.657 -11.356   5.251
  166    H    CYS  27           H        CYS  27   0.323  -7.333   5.172
  167    HA   CYS  27           HA       CYS  27   0.187  -6.328   7.903
  168    HB2  CYS  27           1HB      CYS  27   1.304  -4.365   7.072
  169    HB3  CYS  27           2HB      CYS  27   2.120  -5.779   6.411
  170    H    SER  28           H        SER  28  -0.503  -3.728   7.599
  171    HA   SER  28           HA       SER  28  -3.276  -3.866   6.610
  172    HB2  SER  28           1HB      SER  28  -2.131  -2.651   9.106
  173    HB3  SER  28           2HB      SER  28  -3.628  -2.021   8.419
  174    HG   SER  28           HG       SER  28  -3.249  -4.232   9.890
  175    H    ARG  29           H        ARG  29  -1.716  -3.143   4.690
  176    HA   ARG  29           HA       ARG  29  -1.991  -0.223   4.540
  177    HB2  ARG  29           1HB      ARG  29   0.390  -1.815   3.572
  178    HB3  ARG  29           2HB      ARG  29   0.134  -0.099   3.286
  179    HG2  ARG  29           1HG      ARG  29   0.514   0.459   5.506
  180    HG3  ARG  29           2HG      ARG  29   0.208  -1.185   6.071
  181    HD2  ARG  29           1HD      ARG  29   2.467  -1.246   6.179
  182    HD3  ARG  29           2HD      ARG  29   2.303  -1.655   4.472
  183    HE   ARG  29           HE       ARG  29   2.447   1.032   4.418
  184   HH11  ARG  29          1HH1      ARG  29   4.404  -1.402   5.956
  185   HH12  ARG  29          2HH1      ARG  29   5.863  -0.472   5.866
  186   HH21  ARG  29          1HH2      ARG  29   4.361   2.266   4.293
  187   HH22  ARG  29          2HH2      ARG  29   5.837   1.614   4.920
  188    H    VAL  30           H        VAL  30  -2.647   0.583   2.580
  189    HA   VAL  30           HA       VAL  30  -3.435  -1.429   0.581
  190    HB   VAL  30           HB       VAL  30  -5.101   0.214  -0.196
  191   HG11  VAL  30          1HG1      VAL  30  -5.737  -1.473   1.446
  192   HG12  VAL  30          2HG1      VAL  30  -5.262  -0.390   2.755
  193   HG13  VAL  30          3HG1      VAL  30  -6.620   0.030   1.711
  194   HG21  VAL  30          3HG2      VAL  30  -4.214   1.847   2.180
  195   HG22  VAL  30          1HG2      VAL  30  -3.911   2.246   0.489
  196   HG23  VAL  30          2HG2      VAL  30  -5.563   2.218   1.106
  197    H    TYR  31           H        TYR  31  -3.076  -1.050  -1.613
  198    HA   TYR  31           HA       TYR  31  -1.535   1.299  -2.389
  199    HB2  TYR  31           1HB      TYR  31  -0.520  -1.501  -2.918
  200    HB3  TYR  31           2HB      TYR  31   0.249   0.004  -3.410
  201    HD1  TYR  31           HD1      TYR  31   1.247   1.497  -1.684
  202    HD2  TYR  31           HD2      TYR  31  -0.229  -2.377  -0.725
  203    HE1  TYR  31           HE1      TYR  31   2.511   1.544   0.425
  204    HE2  TYR  31           HE2      TYR  31   1.031  -2.340   1.387
  205    HH   TYR  31           HH       TYR  31   2.658  -1.269   2.542
  206    H    HIS  32           H        HIS  32  -1.991   1.968  -4.407
  207    HA   HIS  32           HA       HIS  32  -4.185   0.968  -5.804
  208    HB2  HIS  32           1HB      HIS  32  -2.016   2.915  -6.402
  209    HB3  HIS  32           2HB      HIS  32  -2.970   2.324  -7.759
  210    HD2  HIS  32           HD2      HIS  32  -5.826   2.342  -5.854
  211    HE1  HIS  32           HE1      HIS  32  -5.107   6.520  -6.017
  212    HE2  HIS  32           HE2      HIS  32  -6.774   4.716  -5.460
  213    H    LEU  33           H        LEU  33  -3.851   0.527  -8.335
  214    HA   LEU  33           HA       LEU  33  -2.367  -1.976  -8.434
  215    HB2  LEU  33           1HB      LEU  33  -4.550  -0.728 -10.013
  216    HB3  LEU  33           2HB      LEU  33  -3.512  -1.897 -10.827
  217    HG   LEU  33           HG       LEU  33  -5.099  -2.451  -8.320
  218   HD11  LEU  33          1HD1      LEU  33  -6.867  -2.754  -9.619
  219   HD12  LEU  33          2HD1      LEU  33  -5.982  -3.992 -10.510
  220   HD13  LEU  33          3HD1      LEU  33  -5.929  -2.312 -11.046
  221   HD21  LEU  33          3HD2      LEU  33  -3.236  -4.055 -10.017
  222   HD22  LEU  33          1HD2      LEU  33  -4.577  -4.850  -9.192
  223   HD23  LEU  33          2HD2      LEU  33  -3.366  -3.970  -8.259
  224    H    ASP  34           H        ASP  34  -2.195   1.259  -9.650
  225    HA   ASP  34           HA       ASP  34  -0.066   0.519 -11.529
  226    HB2  ASP  34           1HB      ASP  34  -1.795   2.961 -11.226
  227    HB3  ASP  34           2HB      ASP  34  -0.301   3.020 -12.158
  228    H    CYS  35           H        CYS  35  -0.628   1.994  -8.476
  229    HA   CYS  35           HA       CYS  35   2.015   3.242  -8.430
  230    HB2  CYS  35           1HB      CYS  35  -0.054   3.254  -6.231
  231    HB3  CYS  35           2HB      CYS  35   1.322   4.337  -6.420
  232    H    LEU  36           H        LEU  36   2.528   0.711  -8.649
  233    HA   LEU  36           HA       LEU  36   3.084  -0.242  -5.917
  234    HB2  LEU  36           1HB      LEU  36   2.305  -1.735  -8.392
  235    HB3  LEU  36           2HB      LEU  36   3.211  -2.534  -7.108
  236    HG   LEU  36           HG       LEU  36   0.525  -1.215  -6.725
  237   HD11  LEU  36          1HD1      LEU  36   1.248  -3.811  -7.815
  238   HD12  LEU  36          2HD1      LEU  36  -0.308  -2.982  -7.796
  239   HD13  LEU  36          3HD1      LEU  36   0.203  -3.929  -6.399
  240   HD21  LEU  36          3HD2      LEU  36   2.356  -2.817  -4.974
  241   HD22  LEU  36          1HD2      LEU  36   0.619  -2.763  -4.674
  242   HD23  LEU  36          2HD2      LEU  36   1.565  -1.275  -4.642
  243    H    ASP  37           H        ASP  37   4.911  -2.084  -6.188
  244    HA   ASP  37           HA       ASP  37   6.986  -1.252  -8.045
  245    HB2  ASP  37           1HB      ASP  37   6.940  -0.225  -5.425
  246    HB3  ASP  37           2HB      ASP  37   8.185  -1.471  -5.431
  247    HA   PRO  38           HA       PRO  38   7.524  -2.211  -9.571
  248    HB2  PRO  38           1HB      PRO  38   6.679  -4.128 -11.298
  249    HB3  PRO  38           2HB      PRO  38   8.362  -3.977 -10.779
  250    HG2  PRO  38           1HG      PRO  38   6.236  -5.835  -9.788
  251    HG3  PRO  38           2HG      PRO  38   7.939  -6.173 -10.145
  252    HD2  PRO  38           1HD      PRO  38   7.028  -5.784  -7.625
  253    HD3  PRO  38           2HD      PRO  38   8.662  -5.311  -8.133
  254    HA   PRO  39           HA       PRO  39   3.286  -1.121  -9.997
  255    HB2  PRO  39           1HB      PRO  39   3.065  -0.568 -12.646
  256    HB3  PRO  39           2HB      PRO  39   3.936   0.476 -11.515
  257    HG2  PRO  39           1HG      PRO  39   5.012  -1.575 -13.411
  258    HG3  PRO  39           2HG      PRO  39   5.624   0.050 -13.056
  259    HD2  PRO  39           1HD      PRO  39   6.712  -2.183 -11.980
  260    HD3  PRO  39           2HD      PRO  39   6.673  -0.631 -11.120
  261    H    LEU  40           H        LEU  40   1.219  -1.717 -10.907
  262    HA   LEU  40           HA       LEU  40   1.202  -4.343 -12.235
  263    HB2  LEU  40           1HB      LEU  40  -0.070  -3.490  -9.714
  264    HB3  LEU  40           2HB      LEU  40  -1.074  -4.449 -10.799
  265    HG   LEU  40           HG       LEU  40   1.594  -5.287  -9.664
  266   HD11  LEU  40          1HD1      LEU  40   0.505  -6.100  -7.914
  267   HD12  LEU  40          2HD1      LEU  40  -0.638  -6.943  -8.959
  268   HD13  LEU  40          3HD1      LEU  40  -0.947  -5.275  -8.480
  269   HD21  LEU  40          3HD2      LEU  40   1.356  -6.317 -11.780
  270   HD22  LEU  40          1HD2      LEU  40  -0.355  -6.647 -11.509
  271   HD23  LEU  40          2HD2      LEU  40   0.868  -7.523 -10.589
  272    H    LYS  41           H        LYS  41  -1.237  -4.808 -12.900
  273    HA   LYS  41           HA       LYS  41  -2.446  -2.369 -13.991
  274    HB2  LYS  41           1HB      LYS  41  -0.991  -3.322 -15.742
  275    HB3  LYS  41           2HB      LYS  41  -1.853  -4.850 -15.617
  276    HG2  LYS  41           1HG      LYS  41  -3.948  -3.522 -16.208
  277    HG3  LYS  41           2HG      LYS  41  -2.845  -2.226 -16.676
  278    HD2  LYS  41           1HD      LYS  41  -1.748  -4.404 -17.922
  279    HD3  LYS  41           2HD      LYS  41  -3.477  -4.741 -18.031
  280    HE2  LYS  41           1HE      LYS  41  -3.636  -2.265 -18.812
  281    HE3  LYS  41           2HE      LYS  41  -1.915  -2.448 -19.150
  282    HZ1  LYS  41           3HZ      LYS  41  -4.139  -4.043 -20.297
  283    HZ2  LYS  41           1HZ      LYS  41  -2.503  -4.414 -20.516
  284    HZ3  LYS  41           2HZ      LYS  41  -3.128  -2.962 -21.117
  285    H    THR  42           H        THR  42  -2.991  -5.867 -14.388
  286    HA   THR  42           HA       THR  42  -5.807  -5.462 -13.733
  287    HB   THR  42           HB       THR  42  -6.216  -7.646 -14.624
  288    HG1  THR  42           HG1      THR  42  -4.697  -9.075 -14.269
  289   HG21  THR  42          3HG2      THR  42  -5.888  -5.892 -16.291
  290   HG22  THR  42          1HG2      THR  42  -5.312  -7.443 -16.899
  291   HG23  THR  42          2HG2      THR  42  -4.159  -6.236 -16.329
  292    H    ILE  43           H        ILE  43  -6.595  -7.817 -12.700
  293    HA   ILE  43           HA       ILE  43  -5.775  -7.611  -9.978
  294    HB   ILE  43           HB       ILE  43  -7.488  -9.715 -11.306
  295   HG12  ILE  43          1HG1      ILE  43  -8.754  -7.723  -9.567
  296   HG13  ILE  43          2HG1      ILE  43  -8.026  -7.032 -11.012
  297   HG21  ILE  43          1HG2      ILE  43  -7.455 -10.785  -9.363
  298   HG22  ILE  43          2HG2      ILE  43  -6.409  -9.548  -8.668
  299   HG23  ILE  43          3HG2      ILE  43  -8.162  -9.366  -8.592
  300   HD11  ILE  43          3HD1      ILE  43 -10.082  -9.226 -10.922
  301   HD12  ILE  43          1HD1      ILE  43 -10.347  -7.550 -11.404
  302   HD13  ILE  43          2HD1      ILE  43  -9.323  -8.599 -12.385
  303    HA   PRO  44           HA       PRO  44  -2.277 -10.366 -10.469
  304    HB2  PRO  44           1HB      PRO  44  -1.391 -10.087  -7.918
  305    HB3  PRO  44           2HB      PRO  44  -1.101  -8.877  -9.174
  306    HG2  PRO  44           1HG      PRO  44  -3.178  -8.911  -7.018
  307    HG3  PRO  44           2HG      PRO  44  -2.174  -7.563  -7.583
  308    HD2  PRO  44           1HD      PRO  44  -4.752  -7.880  -8.348
  309    HD3  PRO  44           2HD      PRO  44  -3.523  -7.158  -9.407
  310    H    LYS  45           H        LYS  45  -3.479 -12.293 -10.706
  311    HA   LYS  45           HA       LYS  45  -4.978 -13.602  -8.790
  312    HB2  LYS  45           1HB      LYS  45  -3.725 -14.275 -11.306
  313    HB3  LYS  45           2HB      LYS  45  -3.621 -15.626 -10.184
  314    HG2  LYS  45           1HG      LYS  45  -5.796 -16.081 -10.355
  315    HG3  LYS  45           2HG      LYS  45  -6.255 -14.380 -10.244
  316    HD2  LYS  45           1HD      LYS  45  -5.964 -14.041 -12.552
  317    HD3  LYS  45           2HD      LYS  45  -5.046 -15.537 -12.741
  318    HE2  LYS  45           1HE      LYS  45  -7.042 -16.844 -12.293
  319    HE3  LYS  45           2HE      LYS  45  -7.968 -15.372 -12.007
  320    HZ1  LYS  45           3HZ      LYS  45  -8.501 -15.679 -14.162
  321    HZ2  LYS  45           1HZ      LYS  45  -7.102 -16.563 -14.516
  322    HZ3  LYS  45           2HZ      LYS  45  -7.038 -14.875 -14.435
  323    H    GLY  46           H        GLY  46  -4.487 -15.453  -7.445
  324    HA2  GLY  46           1HA      GLY  46  -3.182 -16.702  -5.998
  325    HA3  GLY  46           2HA      GLY  46  -1.752 -16.055  -6.788
  326    H    MET  47           H        MET  47  -1.965 -16.418  -4.012
  327    HA   MET  47           HA       MET  47  -2.770 -14.251  -2.505
  328    HB2  MET  47           1HB      MET  47  -1.941 -16.370  -1.557
  329    HB3  MET  47           2HB      MET  47  -0.310 -15.954  -2.066
  330    HG2  MET  47           1HG      MET  47  -0.438 -13.943  -0.609
  331    HG3  MET  47           2HG      MET  47  -1.991 -14.531  -0.019
  332    HE1  MET  47           3HE      MET  47   0.840 -13.978   1.872
  333    HE2  MET  47           1HE      MET  47  -0.872 -14.108   2.277
  334    HE3  MET  47           2HE      MET  47   0.298 -15.186   3.038
  335    H    TRP  48           H        TRP  48  -2.375 -12.202  -3.099
  336    HA   TRP  48           HA       TRP  48   0.266 -11.442  -4.066
  337    HB2  TRP  48           1HB      TRP  48  -1.760 -10.600  -5.218
  338    HB3  TRP  48           2HB      TRP  48  -2.232  -9.764  -3.741
  339    HD1  TRP  48           HD1      TRP  48   0.341  -9.602  -6.579
  340    HE1  TRP  48           HE1      TRP  48   1.390  -7.252  -6.599
  341    HE3  TRP  48           HE3      TRP  48  -1.721  -7.756  -2.281
  342    HZ2  TRP  48           HZ2      TRP  48   1.350  -4.924  -5.003
  343    HZ3  TRP  48           HZ3      TRP  48  -1.164  -5.459  -1.598
  344    HH2  TRP  48           HH2      TRP  48   0.340  -4.074  -2.932
  345    H    ILE  49           H        ILE  49   1.629 -10.001  -3.045
  346    HA   ILE  49           HA       ILE  49   0.860  -9.052  -0.379
  347    HB   ILE  49           HB       ILE  49   3.483 -10.433  -0.956
  348   HG12  ILE  49          1HG1      ILE  49   1.110 -11.356   0.679
  349   HG13  ILE  49          2HG1      ILE  49   1.611 -12.022  -0.871
  350   HG21  ILE  49          1HG2      ILE  49   3.638  -8.621   0.688
  351   HG22  ILE  49          2HG2      ILE  49   2.350  -9.371   1.628
  352   HG23  ILE  49          3HG2      ILE  49   3.894 -10.200   1.430
  353   HD11  ILE  49          3HD1      ILE  49   2.459 -12.738   1.740
  354   HD12  ILE  49          1HD1      ILE  49   2.905 -13.458   0.193
  355   HD13  ILE  49          2HD1      ILE  49   3.847 -12.117   0.847
  356    H    CYS  50           H        CYS  50   1.366  -6.984  -0.073
  357    HA   CYS  50           HA       CYS  50   2.392  -5.324  -2.025
  358    HB2  CYS  50           1HB      CYS  50   2.494  -3.609  -0.367
  359    HB3  CYS  50           2HB      CYS  50   1.127  -4.639   0.049
  360    HA   PRO  51           HA       PRO  51   6.756  -5.793  -2.038
  361    HB2  PRO  51           1HB      PRO  51   7.550  -3.263  -2.624
  362    HB3  PRO  51           2HB      PRO  51   6.785  -4.329  -3.809
  363    HG2  PRO  51           1HG      PRO  51   5.573  -2.129  -2.180
  364    HG3  PRO  51           2HG      PRO  51   5.328  -2.518  -3.893
  365    HD2  PRO  51           1HD      PRO  51   3.559  -3.229  -1.970
  366    HD3  PRO  51           2HD      PRO  51   3.833  -4.209  -3.424
  367    H    ARG  52           H        ARG  52   5.196  -3.745   0.213
  368    HA   ARG  52           HA       ARG  52   7.558  -2.858   1.585
  369    HB2  ARG  52           1HB      ARG  52   4.655  -2.513   1.858
  370    HB3  ARG  52           2HB      ARG  52   5.517  -2.569   3.390
  371    HG2  ARG  52           1HG      ARG  52   5.366  -0.295   2.755
  372    HG3  ARG  52           2HG      ARG  52   7.039  -0.792   2.491
  373    HD2  ARG  52           1HD      ARG  52   5.644  -1.335   0.105
  374    HD3  ARG  52           2HD      ARG  52   5.150   0.277   0.623
  375    HE   ARG  52           HE       ARG  52   7.929   0.114   0.832
  376   HH11  ARG  52          1HH1      ARG  52   5.463   0.078  -1.625
  377   HH12  ARG  52          2HH1      ARG  52   6.485   0.764  -2.844
  378   HH21  ARG  52          1HH2      ARG  52   9.284   1.018  -0.764
  379   HH22  ARG  52          2HH2      ARG  52   8.658   1.298  -2.354
  380    H    CYS  53           H        CYS  53   5.505  -5.637   1.683
  381    HA   CYS  53           HA       CYS  53   6.408  -6.483   4.303
  382    HB2  CYS  53           1HB      CYS  53   4.509  -7.564   2.255
  383    HB3  CYS  53           2HB      CYS  53   5.130  -8.638   3.505
  384    H    GLN  54           H        GLN  54   6.685  -7.716   0.971
  385    HA   GLN  54           HA       GLN  54   8.362  -9.856   1.439
  386    HB2  GLN  54           1HB      GLN  54   8.307  -7.993  -0.939
  387    HB3  GLN  54           2HB      GLN  54   9.142  -9.541  -0.909
  388    HG2  GLN  54           1HG      GLN  54   6.417  -9.868  -0.073
  389    HG3  GLN  54           2HG      GLN  54   6.489  -9.039  -1.626
  390   HE21  GLN  54          1HE2      GLN  54   5.632 -10.798  -2.720
  391   HE22  GLN  54          2HE2      GLN  54   6.543 -12.237  -3.012
  392    H    ASP  55           H        ASP  55   9.109  -6.452   1.354
  393    HA   ASP  55           HA       ASP  55  11.977  -6.942   1.416
  394    HB2  ASP  55           1HB      ASP  55  11.011  -5.045   0.106
  395    HB3  ASP  55           2HB      ASP  55  10.497  -4.313   1.624
  396    H    GLN  56           H        GLN  56   9.476  -5.526   3.504
  397    HA   GLN  56           HA       GLN  56  11.364  -5.554   5.744
  398    HB2  GLN  56           1HB      GLN  56   9.934  -3.510   5.138
  399    HB3  GLN  56           2HB      GLN  56   8.579  -4.415   5.798
  400    HG2  GLN  56           1HG      GLN  56  11.077  -3.933   7.382
  401    HG3  GLN  56           2HG      GLN  56   9.762  -2.760   7.328
  402   HE21  GLN  56          1HE2      GLN  56   7.560  -3.743   7.787
  403   HE22  GLN  56          2HE2      GLN  56   7.480  -4.854   9.107
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -16.875  -6.565  27.293
    2    HA2  GLY   1           1HA      GLY   1 -15.273  -6.989  25.665
    3    HA3  GLY   1           2HA      GLY   1 -16.245  -8.443  25.487
    4    H    SER   2           H        SER   2 -17.038  -5.094  24.631
    5    HA   SER   2           HA       SER   2 -17.236  -5.960  21.820
    6    HB2  SER   2           1HB      SER   2 -19.041  -4.097  21.709
    7    HB3  SER   2           2HB      SER   2 -19.473  -5.643  22.440
    8    HG   SER   2           HG       SER   2 -20.080  -3.715  23.656
    9    H    SER   3           H        SER   3 -15.488  -5.114  20.865
   10    HA   SER   3           HA       SER   3 -14.696  -2.366  21.518
   11    HB2  SER   3           1HB      SER   3 -13.004  -3.873  19.644
   12    HB3  SER   3           2HB      SER   3 -12.557  -2.970  21.091
   13    HG   SER   3           HG       SER   3 -12.310  -5.369  21.097
   14    H    GLY   4           H        GLY   4 -13.548  -1.367  19.393
   15    HA2  GLY   4           1HA      GLY   4 -15.083  -1.825  16.982
   16    HA3  GLY   4           2HA      GLY   4 -15.437  -0.303  17.788
   17    H    SER   5           H        SER   5 -12.787  -2.219  16.422
   18    HA   SER   5           HA       SER   5 -11.711   0.052  15.072
   19    HB2  SER   5           1HB      SER   5 -10.908   0.356  17.468
   20    HB3  SER   5           2HB      SER   5  -9.943  -1.101  17.233
   21    HG   SER   5           HG       SER   5  -9.702   1.414  15.996
   22    H    SER   6           H        SER   6 -12.578  -2.317  14.082
   23    HA   SER   6           HA       SER   6 -10.101  -3.765  13.408
   24    HB2  SER   6           1HB      SER   6 -12.592  -4.745  14.334
   25    HB3  SER   6           2HB      SER   6 -12.450  -5.230  12.645
   26    HG   SER   6           HG       SER   6 -10.376  -5.609  14.536
   27    H    GLY   7           H        GLY   7  -9.422  -2.666  11.622
   28    HA2  GLY   7           1HA      GLY   7 -10.640  -3.238   9.144
   29    HA3  GLY   7           2HA      GLY   7 -11.041  -1.591   9.610
   30    H    HIS   8           H        HIS   8  -9.663  -1.956   7.318
   31    HA   HIS   8           HA       HIS   8  -6.885  -1.263   8.010
   32    HB2  HIS   8           1HB      HIS   8  -8.054  -2.504   5.520
   33    HB3  HIS   8           2HB      HIS   8  -6.419  -1.853   5.583
   34    HD2  HIS   8           HD2      HIS   8  -5.452  -4.497   5.181
   35    HE1  HIS   8           HE1      HIS   8  -6.550  -5.842   9.052
   36    HE2  HIS   8           HE2      HIS   8  -5.169  -6.314   7.000
   37    H    GLU   9           H        GLU   9  -5.904   0.114   6.084
   38    HA   GLU   9           HA       GLU   9  -7.090   2.648   6.232
   39    HB2  GLU   9           1HB      GLU   9  -5.154   1.747   4.100
   40    HB3  GLU   9           2HB      GLU   9  -5.397   3.380   4.703
   41    HG2  GLU   9           1HG      GLU   9  -4.207   1.064   6.208
   42    HG3  GLU   9           2HG      GLU   9  -3.355   2.478   5.591
   43    H    ASP  10           H        ASP  10  -7.129   3.800   3.791
   44    HA   ASP  10           HA       ASP  10  -8.711   2.309   1.914
   45    HB2  ASP  10           1HB      ASP  10  -9.988   4.272   3.782
   46    HB3  ASP  10           2HB      ASP  10 -10.600   4.118   2.137
   47    H    PHE  11           H        PHE  11  -6.272   3.998   2.090
   48    HA   PHE  11           HA       PHE  11  -6.851   5.655  -0.236
   49    HB2  PHE  11           1HB      PHE  11  -5.322   6.808   2.097
   50    HB3  PHE  11           2HB      PHE  11  -5.876   7.645   0.650
   51    HD1  PHE  11           HD2      PHE  11  -8.270   8.149   0.354
   52    HD2  PHE  11           HD1      PHE  11  -6.755   6.470   3.960
   53    HE1  PHE  11           HE2      PHE  11 -10.336   8.799   1.521
   54    HE2  PHE  11           HE1      PHE  11  -8.819   7.117   5.132
   55    HZ   PHE  11           HZ       PHE  11 -10.612   8.285   3.913
   56    H    CYS  12           H        CYS  12  -5.179   5.790  -1.663
   57    HA   CYS  12           HA       CYS  12  -3.198   3.870  -1.690
   58    HB2  CYS  12           1HB      CYS  12  -3.971   5.229  -3.647
   59    HB3  CYS  12           2HB      CYS  12  -3.015   6.573  -3.032
   60    H    SER  13           H        SER  13  -1.112   3.727  -1.017
   61    HA   SER  13           HA       SER  13  -0.232   5.746   0.903
   62    HB2  SER  13           1HB      SER  13   0.485   2.876   0.399
   63    HB3  SER  13           2HB      SER  13   1.595   3.913   1.296
   64    HG   SER  13           HG       SER  13   0.371   3.471   2.939
   65    H    VAL  14           H        VAL  14  -0.111   6.425  -1.852
   66    HA   VAL  14           HA       VAL  14   2.740   6.991  -2.052
   67    HB   VAL  14           HB       VAL  14   1.221   5.758  -4.355
   68   HG11  VAL  14          1HG1      VAL  14   2.713   6.955  -5.536
   69   HG12  VAL  14          2HG1      VAL  14   3.763   7.214  -4.141
   70   HG13  VAL  14          3HG1      VAL  14   3.845   5.698  -5.039
   71   HG21  VAL  14          3HG2      VAL  14   1.772   4.098  -2.657
   72   HG22  VAL  14          1HG2      VAL  14   2.759   3.868  -4.100
   73   HG23  VAL  14          2HG2      VAL  14   3.454   4.628  -2.669
   74    H    CYS  15           H        CYS  15  -0.467   7.405  -3.518
   75    HA   CYS  15           HA       CYS  15   0.275  10.184  -4.162
   76    HB2  CYS  15           1HB      CYS  15  -1.370  10.111  -5.962
   77    HB3  CYS  15           2HB      CYS  15  -0.198   8.812  -6.156
   78    H    ARG  16           H        ARG  16  -1.919   8.098  -2.509
   79    HA   ARG  16           HA       ARG  16  -3.615   8.492  -1.045
   80    HB2  ARG  16           1HB      ARG  16  -2.783  11.392  -1.121
   81    HB3  ARG  16           2HB      ARG  16  -3.650  10.560   0.163
   82    HG2  ARG  16           1HG      ARG  16  -1.724  10.142   1.161
   83    HG3  ARG  16           2HG      ARG  16  -1.231   9.168  -0.225
   84    HD2  ARG  16           1HD      ARG  16   0.462  10.774   0.016
   85    HD3  ARG  16           2HD      ARG  16  -0.536  11.362  -1.313
   86    HE   ARG  16           HE       ARG  16  -1.584  12.575   0.885
   87   HH11  ARG  16          1HH1      ARG  16   1.602  12.371  -0.503
   88   HH12  ARG  16          2HH1      ARG  16   2.096  13.928   0.076
   89   HH21  ARG  16          1HH2      ARG  16  -0.945  14.626   1.653
   90   HH22  ARG  16          2HH2      ARG  16   0.647  15.209   1.303
   91    H    LYS  17           H        LYS  17  -5.162   7.994  -2.659
   92    HA   LYS  17           HA       LYS  17  -6.818  10.291  -3.386
   93    HB2  LYS  17           1HB      LYS  17  -5.367   8.564  -5.259
   94    HB3  LYS  17           2HB      LYS  17  -7.085   8.697  -5.610
   95    HG2  LYS  17           1HG      LYS  17  -6.854  11.160  -5.592
   96    HG3  LYS  17           2HG      LYS  17  -5.115  10.960  -5.368
   97    HD2  LYS  17           1HD      LYS  17  -4.787  10.223  -7.507
   98    HD3  LYS  17           2HD      LYS  17  -6.401   9.518  -7.626
   99    HE2  LYS  17           1HE      LYS  17  -7.349  11.467  -8.308
  100    HE3  LYS  17           2HE      LYS  17  -6.242  12.462  -7.364
  101    HZ1  LYS  17           3HZ      LYS  17  -5.772  11.206 -10.001
  102    HZ2  LYS  17           1HZ      LYS  17  -4.500  11.773  -9.041
  103    HZ3  LYS  17           2HZ      LYS  17  -5.688  12.845  -9.590
  104    H    SER  18           H        SER  18  -8.911   9.333  -4.528
  105    HA   SER  18           HA       SER  18  -9.907   7.281  -2.685
  106    HB2  SER  18           1HB      SER  18 -12.094   8.133  -3.074
  107    HB3  SER  18           2HB      SER  18 -11.053   9.546  -2.904
  108    HG   SER  18           HG       SER  18 -12.580   8.826  -4.984
  109    H    GLY  19           H        GLY  19 -11.813   5.974  -3.743
  110    HA2  GLY  19           1HA      GLY  19 -12.581   4.942  -5.818
  111    HA3  GLY  19           2HA      GLY  19 -10.927   5.048  -6.403
  112    H    GLN  20           H        GLN  20 -10.865   2.826  -6.855
  113    HA   GLN  20           HA       GLN  20 -11.205   0.963  -4.644
  114    HB2  GLN  20           1HB      GLN  20 -10.750   0.644  -7.598
  115    HB3  GLN  20           2HB      GLN  20 -10.567  -0.717  -6.500
  116    HG2  GLN  20           1HG      GLN  20 -12.737  -1.079  -6.703
  117    HG3  GLN  20           2HG      GLN  20 -13.015   0.426  -5.829
  118   HE21  GLN  20          1HE2      GLN  20 -13.979   2.057  -6.852
  119   HE22  GLN  20          2HE2      GLN  20 -14.341   2.099  -8.541
  120    H    LEU  21           H        LEU  21  -9.590   0.012  -3.549
  121    HA   LEU  21           HA       LEU  21  -6.840   0.374  -4.531
  122    HB2  LEU  21           1HB      LEU  21  -8.047   1.233  -1.996
  123    HB3  LEU  21           2HB      LEU  21  -6.516   0.375  -1.831
  124    HG   LEU  21           HG       LEU  21  -6.656   2.622  -3.775
  125   HD11  LEU  21          1HD1      LEU  21  -6.138   3.209  -0.890
  126   HD12  LEU  21          2HD1      LEU  21  -7.780   3.262  -1.531
  127   HD13  LEU  21          3HD1      LEU  21  -6.536   4.315  -2.206
  128   HD21  LEU  21          3HD2      LEU  21  -4.410   2.611  -3.577
  129   HD22  LEU  21          1HD2      LEU  21  -4.679   0.971  -2.986
  130   HD23  LEU  21          2HD2      LEU  21  -4.456   2.295  -1.841
  131    H    LEU  22           H        LEU  22  -5.338  -1.231  -3.901
  132    HA   LEU  22           HA       LEU  22  -6.537  -3.836  -3.554
  133    HB2  LEU  22           1HB      LEU  22  -4.501  -3.092  -5.038
  134    HB3  LEU  22           2HB      LEU  22  -3.589  -3.392  -3.560
  135    HG   LEU  22           HG       LEU  22  -4.375  -5.716  -3.556
  136   HD11  LEU  22          1HD1      LEU  22  -5.856  -4.805  -5.997
  137   HD12  LEU  22          2HD1      LEU  22  -6.458  -5.693  -4.597
  138   HD13  LEU  22          3HD1      LEU  22  -5.413  -6.497  -5.769
  139   HD21  LEU  22          3HD2      LEU  22  -3.326  -5.380  -6.304
  140   HD22  LEU  22          1HD2      LEU  22  -2.767  -6.418  -4.992
  141   HD23  LEU  22          2HD2      LEU  22  -2.368  -4.700  -4.989
  142    H    MET  23           H        MET  23  -5.915  -5.350  -1.922
  143    HA   MET  23           HA       MET  23  -4.983  -4.075   0.566
  144    HB2  MET  23           1HB      MET  23  -7.010  -6.298   0.268
  145    HB3  MET  23           2HB      MET  23  -6.433  -5.644   1.795
  146    HG2  MET  23           1HG      MET  23  -7.321  -3.434   0.355
  147    HG3  MET  23           2HG      MET  23  -8.518  -4.692   0.056
  148    HE1  MET  23           3HE      MET  23  -8.435  -1.691   2.636
  149    HE2  MET  23           1HE      MET  23  -9.126  -2.151   1.080
  150    HE3  MET  23           2HE      MET  23 -10.081  -2.320   2.552
  151    H    CYS  24           H        CYS  24  -3.468  -5.127   1.773
  152    HA   CYS  24           HA       CYS  24  -2.036  -7.271   0.459
  153    HB2  CYS  24           1HB      CYS  24  -0.809  -5.399   1.488
  154    HB3  CYS  24           2HB      CYS  24  -1.461  -5.840   3.063
  155    H    ASP  25           H        ASP  25  -1.675  -9.325   1.280
  156    HA   ASP  25           HA       ASP  25  -3.716 -10.257   3.151
  157    HB2  ASP  25           1HB      ASP  25  -2.863 -11.301   0.787
  158    HB3  ASP  25           2HB      ASP  25  -1.894 -12.228   1.928
  159    H    THR  26           H        THR  26  -1.644  -8.752   4.290
  160    HA   THR  26           HA       THR  26  -0.682 -10.637   6.244
  161    HB   THR  26           HB       THR  26   1.642  -9.126   5.519
  162    HG1  THR  26           HG1      THR  26   0.968 -10.903   3.446
  163   HG21  THR  26          3HG2      THR  26   1.381 -11.337   6.777
  164   HG22  THR  26          1HG2      THR  26   2.715 -11.217   5.631
  165   HG23  THR  26          2HG2      THR  26   1.247 -12.089   5.188
  166    H    CYS  27           H        CYS  27   0.316  -7.399   5.123
  167    HA   CYS  27           HA       CYS  27   0.104  -6.402   7.846
  168    HB2  CYS  27           1HB      CYS  27   1.223  -4.426   7.038
  169    HB3  CYS  27           2HB      CYS  27   2.060  -5.837   6.399
  170    H    SER  28           H        SER  28  -0.584  -3.797   7.530
  171    HA   SER  28           HA       SER  28  -3.341  -3.939   6.496
  172    HB2  SER  28           1HB      SER  28  -2.819  -3.746   9.090
  173    HB3  SER  28           2HB      SER  28  -2.632  -2.039   8.690
  174    HG   SER  28           HG       SER  28  -4.745  -2.182   9.073
  175    H    ARG  29           H        ARG  29  -1.731  -3.199   4.616
  176    HA   ARG  29           HA       ARG  29  -2.019  -0.279   4.478
  177    HB2  ARG  29           1HB      ARG  29   0.362  -1.759   3.358
  178    HB3  ARG  29           2HB      ARG  29   0.128  -0.019   3.448
  179    HG2  ARG  29           1HG      ARG  29  -0.081  -0.754   6.068
  180    HG3  ARG  29           2HG      ARG  29   1.125  -1.887   5.455
  181    HD2  ARG  29           1HD      ARG  29   2.511  -0.166   5.980
  182    HD3  ARG  29           2HD      ARG  29   2.073   0.336   4.347
  183    HE   ARG  29           HE       ARG  29   1.059   2.162   5.253
  184   HH11  ARG  29          1HH1      ARG  29   1.308  -0.292   7.709
  185   HH12  ARG  29          2HH1      ARG  29   0.682   0.720   8.968
  186   HH21  ARG  29          1HH2      ARG  29   0.233   3.505   6.902
  187   HH22  ARG  29          2HH2      ARG  29   0.070   2.879   8.508
  188    H    VAL  30           H        VAL  30  -2.730   0.515   2.553
  189    HA   VAL  30           HA       VAL  30  -3.412  -1.480   0.500
  190    HB   VAL  30           HB       VAL  30  -5.125   0.103  -0.268
  191   HG11  VAL  30          1HG1      VAL  30  -5.077  -1.181   2.336
  192   HG12  VAL  30          2HG1      VAL  30  -6.221   0.161   2.267
  193   HG13  VAL  30          3HG1      VAL  30  -6.341  -1.164   1.108
  194   HG21  VAL  30          3HG2      VAL  30  -4.068   2.190   0.355
  195   HG22  VAL  30          1HG2      VAL  30  -5.659   2.081   1.107
  196   HG23  VAL  30          2HG2      VAL  30  -4.209   1.783   2.065
  197    H    TYR  31           H        TYR  31  -3.121  -0.982  -1.708
  198    HA   TYR  31           HA       TYR  31  -1.600   1.397  -2.404
  199    HB2  TYR  31           1HB      TYR  31  -0.521  -1.360  -3.019
  200    HB3  TYR  31           2HB      TYR  31   0.224   0.179  -3.436
  201    HD1  TYR  31           HD2      TYR  31   1.287   1.555  -1.706
  202    HD2  TYR  31           HD1      TYR  31  -0.362  -2.259  -0.789
  203    HE1  TYR  31           HE2      TYR  31   2.524   1.538   0.420
  204    HE2  TYR  31           HE1      TYR  31   0.870  -2.286   1.340
  205    HH   TYR  31           HH       TYR  31   2.868   0.471   2.341
  206    H    HIS  32           H        HIS  32  -2.041   2.103  -4.416
  207    HA   HIS  32           HA       HIS  32  -4.215   1.104  -5.848
  208    HB2  HIS  32           1HB      HIS  32  -2.053   3.079  -6.416
  209    HB3  HIS  32           2HB      HIS  32  -3.039   2.523  -7.765
  210    HD2  HIS  32           HD2      HIS  32  -5.811   2.494  -5.677
  211    HE1  HIS  32           HE1      HIS  32  -5.159   6.677  -5.958
  212    HE2  HIS  32           HE2      HIS  32  -6.764   4.863  -5.265
  213    H    LEU  33           H        LEU  33  -3.852   0.730  -8.389
  214    HA   LEU  33           HA       LEU  33  -2.335  -1.752  -8.532
  215    HB2  LEU  33           1HB      LEU  33  -4.494  -0.484 -10.147
  216    HB3  LEU  33           2HB      LEU  33  -3.461  -1.691 -10.909
  217    HG   LEU  33           HG       LEU  33  -5.139  -2.145  -8.443
  218   HD11  LEU  33          1HD1      LEU  33  -6.402  -1.785 -10.584
  219   HD12  LEU  33          2HD1      LEU  33  -6.649  -3.353  -9.817
  220   HD13  LEU  33          3HD1      LEU  33  -5.589  -3.215 -11.219
  221   HD21  LEU  33          3HD2      LEU  33  -4.610  -4.570  -9.097
  222   HD22  LEU  33          1HD2      LEU  33  -3.348  -3.633  -8.297
  223   HD23  LEU  33          2HD2      LEU  33  -3.288  -3.882 -10.042
  224    H    ASP  34           H        ASP  34  -2.189   1.513  -9.660
  225    HA   ASP  34           HA       ASP  34  -0.041   0.844 -11.544
  226    HB2  ASP  34           1HB      ASP  34  -1.737   3.311 -11.178
  227    HB3  ASP  34           2HB      ASP  34  -0.298   3.300 -12.194
  228    H    CYS  35           H        CYS  35  -0.627   2.181  -8.448
  229    HA   CYS  35           HA       CYS  35   1.997   3.477  -8.358
  230    HB2  CYS  35           1HB      CYS  35  -0.099   3.436  -6.185
  231    HB3  CYS  35           2HB      CYS  35   1.275   4.528  -6.333
  232    H    LEU  36           H        LEU  36   2.559   0.972  -8.615
  233    HA   LEU  36           HA       LEU  36   3.074  -0.037  -5.895
  234    HB2  LEU  36           1HB      LEU  36   2.348  -1.485  -8.413
  235    HB3  LEU  36           2HB      LEU  36   3.245  -2.301  -7.134
  236    HG   LEU  36           HG       LEU  36   0.497  -1.080  -6.866
  237   HD11  LEU  36          1HD1      LEU  36   0.471  -3.824  -6.316
  238   HD12  LEU  36          2HD1      LEU  36   1.398  -3.640  -7.804
  239   HD13  LEU  36          3HD1      LEU  36  -0.241  -2.997  -7.701
  240   HD21  LEU  36          3HD2      LEU  36   1.340  -0.898  -4.735
  241   HD22  LEU  36          1HD2      LEU  36   2.403  -2.293  -4.917
  242   HD23  LEU  36          2HD2      LEU  36   0.669  -2.529  -4.695
  243    H    ASP  37           H        ASP  37   4.924  -1.855  -6.178
  244    HA   ASP  37           HA       ASP  37   7.019  -0.958  -7.981
  245    HB2  ASP  37           1HB      ASP  37   6.953   0.168  -5.491
  246    HB3  ASP  37           2HB      ASP  37   7.994  -1.227  -5.216
  247    HA   PRO  38           HA       PRO  38   7.589  -1.873  -9.522
  248    HB2  PRO  38           1HB      PRO  38   6.789  -3.753 -11.310
  249    HB3  PRO  38           2HB      PRO  38   8.463  -3.598 -10.763
  250    HG2  PRO  38           1HG      PRO  38   6.339  -5.502  -9.852
  251    HG3  PRO  38           2HG      PRO  38   8.051  -5.815 -10.191
  252    HD2  PRO  38           1HD      PRO  38   7.098  -5.499  -7.676
  253    HD3  PRO  38           2HD      PRO  38   8.735  -4.998  -8.147
  254    HA   PRO  39           HA       PRO  39   3.347  -0.811  -9.983
  255    HB2  PRO  39           1HB      PRO  39   3.163  -0.185 -12.618
  256    HB3  PRO  39           2HB      PRO  39   4.005   0.835 -11.445
  257    HG2  PRO  39           1HG      PRO  39   5.131  -1.152 -13.380
  258    HG3  PRO  39           2HG      PRO  39   5.722   0.469 -12.970
  259    HD2  PRO  39           1HD      PRO  39   6.815  -1.784 -11.940
  260    HD3  PRO  39           2HD      PRO  39   6.746  -0.257 -11.037
  261    H    LEU  40           H        LEU  40   1.314  -1.516 -10.718
  262    HA   LEU  40           HA       LEU  40   1.347  -4.103 -12.130
  263    HB2  LEU  40           1HB      LEU  40   0.030  -3.219  -9.670
  264    HB3  LEU  40           2HB      LEU  40  -1.038  -4.057 -10.794
  265    HG   LEU  40           HG       LEU  40   1.519  -5.154  -9.625
  266   HD11  LEU  40          1HD1      LEU  40  -0.988  -6.537  -9.094
  267   HD12  LEU  40          2HD1      LEU  40  -0.931  -4.912  -8.414
  268   HD13  LEU  40          3HD1      LEU  40   0.316  -6.087  -7.996
  269   HD21  LEU  40          3HD2      LEU  40  -0.286  -6.065 -11.788
  270   HD22  LEU  40          1HD2      LEU  40   0.284  -7.285 -10.649
  271   HD23  LEU  40          2HD2      LEU  40   1.445  -6.325 -11.567
  272    H    LYS  41           H        LYS  41  -1.071  -4.560 -12.905
  273    HA   LYS  41           HA       LYS  41  -2.199  -2.145 -14.118
  274    HB2  LYS  41           1HB      LYS  41  -0.636  -3.119 -15.762
  275    HB3  LYS  41           2HB      LYS  41  -1.507  -4.645 -15.673
  276    HG2  LYS  41           1HG      LYS  41  -3.068  -3.952 -17.099
  277    HG3  LYS  41           2HG      LYS  41  -3.251  -2.401 -16.276
  278    HD2  LYS  41           1HD      LYS  41  -1.334  -1.509 -17.443
  279    HD3  LYS  41           2HD      LYS  41  -1.010  -3.080 -18.180
  280    HE2  LYS  41           1HE      LYS  41  -3.727  -2.179 -18.658
  281    HE3  LYS  41           2HE      LYS  41  -2.532  -1.030 -19.256
  282    HZ1  LYS  41           3HZ      LYS  41  -2.199  -2.346 -20.986
  283    HZ2  LYS  41           1HZ      LYS  41  -3.326  -3.462 -20.397
  284    HZ3  LYS  41           2HZ      LYS  41  -1.696  -3.599 -19.967
  285    H    THR  42           H        THR  42  -2.703  -5.654 -14.476
  286    HA   THR  42           HA       THR  42  -5.559  -5.251 -14.022
  287    HB   THR  42           HB       THR  42  -5.898  -7.458 -14.884
  288    HG1  THR  42           HG1      THR  42  -3.141  -7.908 -15.222
  289   HG21  THR  42          3HG2      THR  42  -3.683  -6.573 -16.665
  290   HG22  THR  42          1HG2      THR  42  -5.037  -5.473 -16.410
  291   HG23  THR  42          2HG2      THR  42  -5.321  -7.084 -17.071
  292    H    ILE  43           H        ILE  43  -6.404  -7.584 -12.985
  293    HA   ILE  43           HA       ILE  43  -5.768  -7.306 -10.220
  294    HB   ILE  43           HB       ILE  43  -7.374  -9.466 -11.592
  295   HG12  ILE  43          1HG1      ILE  43  -8.320  -6.953 -10.198
  296   HG13  ILE  43          2HG1      ILE  43  -8.216  -7.144 -11.945
  297   HG21  ILE  43          1HG2      ILE  43  -6.460  -9.256  -8.927
  298   HG22  ILE  43          2HG2      ILE  43  -8.193  -8.933  -8.916
  299   HG23  ILE  43          3HG2      ILE  43  -7.581 -10.435  -9.608
  300   HD11  ILE  43          3HD1      ILE  43 -10.454  -7.526 -11.435
  301   HD12  ILE  43          1HD1      ILE  43  -9.772  -9.139 -11.639
  302   HD13  ILE  43          2HD1      ILE  43 -10.061  -8.502 -10.020
  303    HA   PRO  44           HA       PRO  44  -2.238 -10.057 -10.410
  304    HB2  PRO  44           1HB      PRO  44  -1.523  -9.713  -7.814
  305    HB3  PRO  44           2HB      PRO  44  -1.155  -8.532  -9.076
  306    HG2  PRO  44           1HG      PRO  44  -3.370  -8.523  -7.063
  307    HG3  PRO  44           2HG      PRO  44  -2.335  -7.185  -7.592
  308    HD2  PRO  44           1HD      PRO  44  -4.855  -7.532  -8.520
  309    HD3  PRO  44           2HD      PRO  44  -3.561  -6.830  -9.512
  310    H    LYS  45           H        LYS  45  -3.758 -11.866 -10.686
  311    HA   LYS  45           HA       LYS  45  -5.182 -13.135  -8.692
  312    HB2  LYS  45           1HB      LYS  45  -3.902 -14.019 -11.226
  313    HB3  LYS  45           2HB      LYS  45  -4.414 -15.273 -10.104
  314    HG2  LYS  45           1HG      LYS  45  -6.682 -14.456 -10.159
  315    HG3  LYS  45           2HG      LYS  45  -6.198 -13.096 -11.175
  316    HD2  LYS  45           1HD      LYS  45  -5.288 -15.058 -12.712
  317    HD3  LYS  45           2HD      LYS  45  -6.545 -15.966 -11.868
  318    HE2  LYS  45           1HE      LYS  45  -6.936 -13.393 -13.396
  319    HE3  LYS  45           2HE      LYS  45  -7.383 -15.005 -13.953
  320    HZ1  LYS  45           3HZ      LYS  45  -8.921 -15.173 -12.088
  321    HZ2  LYS  45           1HZ      LYS  45  -9.289 -13.839 -13.062
  322    HZ3  LYS  45           2HZ      LYS  45  -8.504 -13.614 -11.581
  323    H    GLY  46           H        GLY  46  -4.698 -15.146  -7.526
  324    HA2  GLY  46           1HA      GLY  46  -3.361 -16.526  -6.239
  325    HA3  GLY  46           2HA      GLY  46  -1.956 -15.879  -7.073
  326    H    MET  47           H        MET  47  -1.978 -16.411  -4.332
  327    HA   MET  47           HA       MET  47  -2.623 -14.340  -2.626
  328    HB2  MET  47           1HB      MET  47  -1.793 -16.509  -1.852
  329    HB3  MET  47           2HB      MET  47  -0.201 -16.147  -2.505
  330    HG2  MET  47           1HG      MET  47   0.266 -14.590  -0.865
  331    HG3  MET  47           2HG      MET  47  -1.435 -14.332  -0.484
  332    HE1  MET  47           3HE      MET  47   1.759 -15.987   1.013
  333    HE2  MET  47           1HE      MET  47   0.841 -14.552   1.469
  334    HE3  MET  47           2HE      MET  47   0.827 -15.974   2.511
  335    H    TRP  48           H        TRP  48  -2.232 -12.264  -3.135
  336    HA   TRP  48           HA       TRP  48   0.413 -11.506  -4.129
  337    HB2  TRP  48           1HB      TRP  48  -1.579 -10.664  -5.330
  338    HB3  TRP  48           2HB      TRP  48  -2.099  -9.841  -3.862
  339    HD1  TRP  48           HD1      TRP  48   0.566  -9.650  -6.614
  340    HE1  TRP  48           HE1      TRP  48   1.593  -7.290  -6.593
  341    HE3  TRP  48           HE3      TRP  48  -1.666  -7.830  -2.390
  342    HZ2  TRP  48           HZ2      TRP  48   1.473  -4.964  -4.998
  343    HZ3  TRP  48           HZ3      TRP  48  -1.156  -5.529  -1.684
  344    HH2  TRP  48           HH2      TRP  48   0.381  -4.127  -2.962
  345    H    ILE  49           H        ILE  49   1.714  -9.985  -3.105
  346    HA   ILE  49           HA       ILE  49   0.896  -9.069  -0.446
  347    HB   ILE  49           HB       ILE  49   3.530 -10.450  -0.970
  348   HG12  ILE  49          1HG1      ILE  49   1.187 -11.354   0.718
  349   HG13  ILE  49          2HG1      ILE  49   1.579 -11.991  -0.875
  350   HG21  ILE  49          1HG2      ILE  49   3.855  -8.738   0.644
  351   HG22  ILE  49          2HG2      ILE  49   2.364  -9.159   1.485
  352   HG23  ILE  49          3HG2      ILE  49   3.742 -10.259   1.528
  353   HD11  ILE  49          3HD1      ILE  49   2.501 -12.881   1.612
  354   HD12  ILE  49          1HD1      ILE  49   2.996 -13.433   0.012
  355   HD13  ILE  49          2HD1      ILE  49   3.883 -12.135   0.810
  356    H    CYS  50           H        CYS  50   1.408  -7.005  -0.105
  357    HA   CYS  50           HA       CYS  50   2.445  -5.330  -2.038
  358    HB2  CYS  50           1HB      CYS  50   2.528  -3.625  -0.369
  359    HB3  CYS  50           2HB      CYS  50   1.165  -4.664   0.033
  360    HA   PRO  51           HA       PRO  51   6.810  -5.790  -2.022
  361    HB2  PRO  51           1HB      PRO  51   7.604  -3.256  -2.583
  362    HB3  PRO  51           2HB      PRO  51   6.850  -4.314  -3.782
  363    HG2  PRO  51           1HG      PRO  51   5.622  -2.128  -2.146
  364    HG3  PRO  51           2HG      PRO  51   5.391  -2.505  -3.863
  365    HD2  PRO  51           1HD      PRO  51   3.609  -3.232  -1.959
  366    HD3  PRO  51           2HD      PRO  51   3.896  -4.201  -3.419
  367    H    ARG  52           H        ARG  52   5.233  -3.748   0.226
  368    HA   ARG  52           HA       ARG  52   7.582  -2.873   1.624
  369    HB2  ARG  52           1HB      ARG  52   4.904  -2.136   1.606
  370    HB3  ARG  52           2HB      ARG  52   5.128  -2.868   3.189
  371    HG2  ARG  52           1HG      ARG  52   7.190  -0.938   2.335
  372    HG3  ARG  52           2HG      ARG  52   5.587  -0.286   2.682
  373    HD2  ARG  52           1HD      ARG  52   5.695  -0.830   4.899
  374    HD3  ARG  52           2HD      ARG  52   6.762  -2.206   4.620
  375    HE   ARG  52           HE       ARG  52   7.547   0.439   5.268
  376   HH11  ARG  52          1HH1      ARG  52   8.468  -2.315   3.347
  377   HH12  ARG  52          2HH1      ARG  52  10.156  -1.925   3.362
  378   HH21  ARG  52          1HH2      ARG  52   9.767   0.963   5.295
  379   HH22  ARG  52          2HH2      ARG  52  10.894  -0.061   4.471
  380    H    CYS  53           H        CYS  53   5.535  -5.657   1.686
  381    HA   CYS  53           HA       CYS  53   6.421  -6.518   4.308
  382    HB2  CYS  53           1HB      CYS  53   4.532  -7.584   2.244
  383    HB3  CYS  53           2HB      CYS  53   5.148  -8.668   3.487
  384    H    GLN  54           H        GLN  54   6.721  -7.723   0.967
  385    HA   GLN  54           HA       GLN  54   8.391  -9.870   1.428
  386    HB2  GLN  54           1HB      GLN  54   8.436  -7.991  -0.940
  387    HB3  GLN  54           2HB      GLN  54   9.145  -9.600  -0.902
  388    HG2  GLN  54           1HG      GLN  54   6.475  -9.900  -0.096
  389    HG3  GLN  54           2HG      GLN  54   6.459  -8.813  -1.483
  390   HE21  GLN  54          1HE2      GLN  54   5.810 -10.039  -3.121
  391   HE22  GLN  54          2HE2      GLN  54   6.531 -11.534  -3.600
  392    H    ASP  55           H        ASP  55   9.146  -6.464   1.366
  393    HA   ASP  55           HA       ASP  55  12.003  -6.887   1.344
  394    HB2  ASP  55           1HB      ASP  55  10.213  -4.659   0.990
  395    HB3  ASP  55           2HB      ASP  55  11.443  -4.255   2.183
  396    H    GLN  56           H        GLN  56   9.574  -5.807   3.699
  397    HA   GLN  56           HA       GLN  56  10.912  -7.025   5.876
  398    HB2  GLN  56           1HB      GLN  56  11.545  -4.989   7.114
  399    HB3  GLN  56           2HB      GLN  56  12.472  -5.179   5.632
  400    HG2  GLN  56           1HG      GLN  56  11.648  -3.306   4.719
  401    HG3  GLN  56           2HG      GLN  56  10.030  -3.578   5.364
  402   HE21  GLN  56          1HE2      GLN  56  10.270  -3.583   7.980
  403   HE22  GLN  56          2HE2      GLN  56  10.943  -2.106   8.573
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -13.182   0.307  18.662
    2    HA2  GLY   1           1HA      GLY   1 -11.751   2.456  20.084
    3    HA3  GLY   1           2HA      GLY   1 -10.937   1.532  18.831
    4    H    SER   2           H        SER   2 -11.363   1.948  16.689
    5    HA   SER   2           HA       SER   2 -12.994   4.346  16.189
    6    HB2  SER   2           1HB      SER   2 -10.948   3.332  14.245
    7    HB3  SER   2           2HB      SER   2 -11.517   4.981  14.508
    8    HG   SER   2           HG       SER   2  -9.466   3.635  15.698
    9    H    SER   3           H        SER   3 -14.837   2.792  16.186
   10    HA   SER   3           HA       SER   3 -15.073   0.886  14.077
   11    HB2  SER   3           1HB      SER   3 -16.937   2.043  16.116
   12    HB3  SER   3           2HB      SER   3 -17.604   1.137  14.758
   13    HG   SER   3           HG       SER   3 -15.619   0.187  16.552
   14    H    GLY   4           H        GLY   4 -14.607   1.994  12.157
   15    HA2  GLY   4           1HA      GLY   4 -16.850   3.623  11.179
   16    HA3  GLY   4           2HA      GLY   4 -15.214   4.244  11.016
   17    H    SER   5           H        SER   5 -13.804   2.027  10.271
   18    HA   SER   5           HA       SER   5 -15.091   1.250   7.736
   19    HB2  SER   5           1HB      SER   5 -12.128   1.678   8.173
   20    HB3  SER   5           2HB      SER   5 -12.939   1.352   6.642
   21    HG   SER   5           HG       SER   5 -12.777   3.704   8.109
   22    H    SER   6           H        SER   6 -12.811   0.305  10.266
   23    HA   SER   6           HA       SER   6 -12.033  -1.723  10.954
   24    HB2  SER   6           1HB      SER   6 -14.604  -2.898   9.909
   25    HB3  SER   6           2HB      SER   6 -13.668  -3.385  11.323
   26    HG   SER   6           HG       SER   6 -15.355  -2.216  12.102
   27    H    GLY   7           H        GLY   7 -10.977  -1.064   8.548
   28    HA2  GLY   7           1HA      GLY   7 -10.355  -3.644   7.456
   29    HA3  GLY   7           2HA      GLY   7 -11.302  -2.660   6.351
   30    H    HIS   8           H        HIS   8  -8.612  -1.965   8.585
   31    HA   HIS   8           HA       HIS   8  -6.662  -0.828   8.289
   32    HB2  HIS   8           1HB      HIS   8  -6.722  -1.882   5.461
   33    HB3  HIS   8           2HB      HIS   8  -5.309  -1.470   6.428
   34    HD2  HIS   8           HD2      HIS   8  -5.861  -4.530   5.159
   35    HE1  HIS   8           HE1      HIS   8  -6.257  -5.556   9.257
   36    HE2  HIS   8           HE2      HIS   8  -5.789  -6.410   6.934
   37    H    GLU   9           H        GLU   9  -5.494   0.543   6.267
   38    HA   GLU   9           HA       GLU   9  -6.950   2.944   6.204
   39    HB2  GLU   9           1HB      GLU   9  -4.741   2.221   4.284
   40    HB3  GLU   9           2HB      GLU   9  -5.191   3.820   4.859
   41    HG2  GLU   9           1HG      GLU   9  -4.587   2.353   7.154
   42    HG3  GLU   9           2HG      GLU   9  -3.347   1.924   5.977
   43    H    ASP  10           H        ASP  10  -7.459   4.136   4.128
   44    HA   ASP  10           HA       ASP  10  -8.533   2.358   2.057
   45    HB2  ASP  10           1HB      ASP  10 -10.155   4.683   3.061
   46    HB3  ASP  10           2HB      ASP  10 -10.682   3.306   2.099
   47    H    PHE  11           H        PHE  11  -6.195   4.068   2.128
   48    HA   PHE  11           HA       PHE  11  -6.800   5.665  -0.233
   49    HB2  PHE  11           1HB      PHE  11  -5.248   6.878   2.053
   50    HB3  PHE  11           2HB      PHE  11  -5.816   7.677   0.591
   51    HD1  PHE  11           HD2      PHE  11  -8.298   7.979   0.269
   52    HD2  PHE  11           HD1      PHE  11  -6.576   6.784   3.974
   53    HE1  PHE  11           HE2      PHE  11 -10.352   8.660   1.439
   54    HE2  PHE  11           HE1      PHE  11  -8.629   7.462   5.150
   55    HZ   PHE  11           HZ       PHE  11 -10.519   8.402   3.883
   56    H    CYS  12           H        CYS  12  -5.128   5.801  -1.670
   57    HA   CYS  12           HA       CYS  12  -3.157   3.869  -1.693
   58    HB2  CYS  12           1HB      CYS  12  -3.913   5.183  -3.668
   59    HB3  CYS  12           2HB      CYS  12  -3.008   6.564  -3.058
   60    H    SER  13           H        SER  13  -1.086   3.707  -1.002
   61    HA   SER  13           HA       SER  13  -0.178   5.744   0.885
   62    HB2  SER  13           1HB      SER  13   0.511   2.861   0.417
   63    HB3  SER  13           2HB      SER  13   1.628   3.898   1.303
   64    HG   SER  13           HG       SER  13  -0.427   4.450   2.537
   65    H    VAL  14           H        VAL  14  -0.049   6.435  -1.844
   66    HA   VAL  14           HA       VAL  14   2.803   6.957  -2.063
   67    HB   VAL  14           HB       VAL  14   1.269   5.653  -4.316
   68   HG11  VAL  14          1HG1      VAL  14   3.735   5.653  -5.241
   69   HG12  VAL  14          2HG1      VAL  14   2.678   7.049  -5.463
   70   HG13  VAL  14          3HG1      VAL  14   3.892   7.055  -4.183
   71   HG21  VAL  14          3HG2      VAL  14   2.909   3.836  -4.066
   72   HG22  VAL  14          1HG2      VAL  14   3.585   4.656  -2.659
   73   HG23  VAL  14          2HG2      VAL  14   1.929   4.049  -2.615
   74    H    CYS  15           H        CYS  15  -0.393   7.362  -3.557
   75    HA   CYS  15           HA       CYS  15   0.363  10.132  -4.225
   76    HB2  CYS  15           1HB      CYS  15  -1.226  10.049  -6.057
   77    HB3  CYS  15           2HB      CYS  15  -0.103   8.700  -6.198
   78    H    ARG  16           H        ARG  16  -1.862   8.068  -2.582
   79    HA   ARG  16           HA       ARG  16  -3.583   8.478  -1.153
   80    HB2  ARG  16           1HB      ARG  16  -1.955  10.924  -1.063
   81    HB3  ARG  16           2HB      ARG  16  -3.628  11.151  -0.569
   82    HG2  ARG  16           1HG      ARG  16  -2.300   8.808   0.599
   83    HG3  ARG  16           2HG      ARG  16  -1.632  10.370   1.077
   84    HD2  ARG  16           1HD      ARG  16  -4.586   9.867   1.144
   85    HD3  ARG  16           2HD      ARG  16  -3.550   9.352   2.474
   86    HE   ARG  16           HE       ARG  16  -4.385  12.017   1.882
   87   HH11  ARG  16          1HH1      ARG  16  -1.815  10.114   3.258
   88   HH12  ARG  16          2HH1      ARG  16  -1.246  11.388   4.286
   89   HH21  ARG  16          1HH2      ARG  16  -3.646  13.702   3.231
   90   HH22  ARG  16          2HH2      ARG  16  -2.289  13.428   4.270
   91    H    LYS  17           H        LYS  17  -5.014   8.009  -2.939
   92    HA   LYS  17           HA       LYS  17  -6.709  10.306  -3.573
   93    HB2  LYS  17           1HB      LYS  17  -5.261   8.596  -5.533
   94    HB3  LYS  17           2HB      LYS  17  -6.904   9.078  -5.933
   95    HG2  LYS  17           1HG      LYS  17  -6.167  11.458  -5.468
   96    HG3  LYS  17           2HG      LYS  17  -4.516  10.833  -5.458
   97    HD2  LYS  17           1HD      LYS  17  -4.473  10.569  -7.694
   98    HD3  LYS  17           2HD      LYS  17  -6.140   9.994  -7.758
   99    HE2  LYS  17           1HE      LYS  17  -5.782  12.840  -7.077
  100    HE3  LYS  17           2HE      LYS  17  -5.328  12.382  -8.717
  101    HZ1  LYS  17           3HZ      LYS  17  -7.761  13.072  -8.167
  102    HZ2  LYS  17           1HZ      LYS  17  -7.904  11.468  -7.649
  103    HZ3  LYS  17           2HZ      LYS  17  -7.462  11.804  -9.246
  104    H    SER  18           H        SER  18  -8.880   9.773  -4.036
  105    HA   SER  18           HA       SER  18  -9.852   7.507  -2.629
  106    HB2  SER  18           1HB      SER  18 -11.945   8.425  -2.905
  107    HB3  SER  18           2HB      SER  18 -10.958   9.859  -3.189
  108    HG   SER  18           HG       SER  18 -12.306   9.798  -4.895
  109    H    GLY  19           H        GLY  19 -11.674   6.153  -3.779
  110    HA2  GLY  19           1HA      GLY  19 -12.299   5.082  -5.882
  111    HA3  GLY  19           2HA      GLY  19 -10.616   5.211  -6.371
  112    H    GLN  20           H        GLN  20 -10.958   2.881  -6.820
  113    HA   GLN  20           HA       GLN  20 -11.173   1.116  -4.547
  114    HB2  GLN  20           1HB      GLN  20 -10.833  -0.679  -6.235
  115    HB3  GLN  20           2HB      GLN  20 -12.170   0.397  -6.618
  116    HG2  GLN  20           1HG      GLN  20 -11.282   0.864  -8.584
  117    HG3  GLN  20           2HG      GLN  20  -9.788   1.405  -7.820
  118   HE21  GLN  20          1HE2      GLN  20  -8.293   0.540  -9.123
  119   HE22  GLN  20          2HE2      GLN  20  -8.122  -1.149  -9.445
  120    H    LEU  21           H        LEU  21  -9.562   0.088  -3.498
  121    HA   LEU  21           HA       LEU  21  -6.824   0.400  -4.528
  122    HB2  LEU  21           1HB      LEU  21  -7.965   1.254  -1.958
  123    HB3  LEU  21           2HB      LEU  21  -6.442   0.376  -1.840
  124    HG   LEU  21           HG       LEU  21  -6.548   2.607  -3.785
  125   HD11  LEU  21          1HD1      LEU  21  -6.117   3.274  -0.905
  126   HD12  LEU  21          2HD1      LEU  21  -7.745   3.288  -1.583
  127   HD13  LEU  21          3HD1      LEU  21  -6.499   4.337  -2.260
  128   HD21  LEU  21          3HD2      LEU  21  -4.417   2.317  -1.766
  129   HD22  LEU  21          1HD2      LEU  21  -4.309   2.616  -3.501
  130   HD23  LEU  21          2HD2      LEU  21  -4.596   0.981  -2.904
  131    H    LEU  22           H        LEU  22  -5.329  -1.227  -3.882
  132    HA   LEU  22           HA       LEU  22  -6.573  -3.817  -3.568
  133    HB2  LEU  22           1HB      LEU  22  -4.556  -3.135  -5.069
  134    HB3  LEU  22           2HB      LEU  22  -3.618  -3.370  -3.596
  135    HG   LEU  22           HG       LEU  22  -4.374  -5.703  -3.499
  136   HD11  LEU  22          1HD1      LEU  22  -5.927  -4.873  -5.916
  137   HD12  LEU  22          2HD1      LEU  22  -6.454  -5.794  -4.508
  138   HD13  LEU  22          3HD1      LEU  22  -5.411  -6.548  -5.713
  139   HD21  LEU  22          3HD2      LEU  22  -3.292  -5.204  -6.251
  140   HD22  LEU  22          1HD2      LEU  22  -2.915  -6.511  -5.130
  141   HD23  LEU  22          2HD2      LEU  22  -2.327  -4.879  -4.810
  142    H    MET  23           H        MET  23  -5.978  -5.356  -1.950
  143    HA   MET  23           HA       MET  23  -5.061  -4.110   0.559
  144    HB2  MET  23           1HB      MET  23  -7.059  -6.349   0.189
  145    HB3  MET  23           2HB      MET  23  -6.485  -5.754   1.741
  146    HG2  MET  23           1HG      MET  23  -7.351  -3.459   0.845
  147    HG3  MET  23           2HG      MET  23  -8.321  -4.474  -0.219
  148    HE1  MET  23           3HE      MET  23 -10.160  -2.675   1.559
  149    HE2  MET  23           1HE      MET  23 -10.551  -3.958   0.414
  150    HE3  MET  23           2HE      MET  23 -11.260  -3.973   2.029
  151    H    CYS  24           H        CYS  24  -3.550  -5.165   1.776
  152    HA   CYS  24           HA       CYS  24  -2.088  -7.286   0.440
  153    HB2  CYS  24           1HB      CYS  24  -0.860  -5.395   1.417
  154    HB3  CYS  24           2HB      CYS  24  -1.492  -5.804   3.009
  155    H    ASP  25           H        ASP  25  -1.698  -9.327   1.273
  156    HA   ASP  25           HA       ASP  25  -3.685 -10.249   3.209
  157    HB2  ASP  25           1HB      ASP  25  -2.938 -11.311   0.829
  158    HB3  ASP  25           2HB      ASP  25  -1.890 -12.213   1.920
  159    H    THR  26           H        THR  26  -1.645  -8.743   4.325
  160    HA   THR  26           HA       THR  26  -0.589 -10.618   6.232
  161    HB   THR  26           HB       THR  26   1.694  -9.072   5.435
  162    HG1  THR  26           HG1      THR  26   1.940  -9.684   3.349
  163   HG21  THR  26          3HG2      THR  26   1.307 -11.409   6.637
  164   HG22  THR  26          1HG2      THR  26   2.798 -11.045   5.772
  165   HG23  THR  26          2HG2      THR  26   1.541 -12.008   4.996
  166    H    CYS  27           H        CYS  27   0.320  -7.362   5.083
  167    HA   CYS  27           HA       CYS  27   0.129  -6.377   7.822
  168    HB2  CYS  27           1HB      CYS  27   1.306  -4.434   7.053
  169    HB3  CYS  27           2HB      CYS  27   2.109  -5.845   6.372
  170    H    SER  28           H        SER  28  -0.525  -3.768   7.515
  171    HA   SER  28           HA       SER  28  -3.267  -3.872   6.437
  172    HB2  SER  28           1HB      SER  28  -2.458  -2.071   8.707
  173    HB3  SER  28           2HB      SER  28  -4.069  -2.633   8.262
  174    HG   SER  28           HG       SER  28  -2.201  -3.796   9.873
  175    H    ARG  29           H        ARG  29  -1.673  -3.151   4.562
  176    HA   ARG  29           HA       ARG  29  -1.889  -0.224   4.439
  177    HB2  ARG  29           1HB      ARG  29   0.461  -1.786   3.360
  178    HB3  ARG  29           2HB      ARG  29   0.259  -0.039   3.348
  179    HG2  ARG  29           1HG      ARG  29   0.370  -1.627   5.893
  180    HG3  ARG  29           2HG      ARG  29   1.815  -1.000   5.096
  181    HD2  ARG  29           1HD      ARG  29   1.471   1.021   5.953
  182    HD3  ARG  29           2HD      ARG  29  -0.165   1.065   5.297
  183    HE   ARG  29           HE       ARG  29  -0.976   0.515   7.369
  184   HH11  ARG  29          1HH1      ARG  29   2.454  -0.073   7.283
  185   HH12  ARG  29          2HH1      ARG  29   2.576  -0.381   8.983
  186   HH21  ARG  29          1HH2      ARG  29  -0.829   0.111   9.609
  187   HH22  ARG  29          2HH2      ARG  29   0.708  -0.277  10.306
  188    H    VAL  30           H        VAL  30  -2.775   0.536   2.609
  189    HA   VAL  30           HA       VAL  30  -3.441  -1.415   0.521
  190    HB   VAL  30           HB       VAL  30  -5.099   0.284  -0.235
  191   HG11  VAL  30          1HG1      VAL  30  -6.667  -0.543   1.163
  192   HG12  VAL  30          2HG1      VAL  30  -5.328  -1.545   1.728
  193   HG13  VAL  30          3HG1      VAL  30  -5.772  -0.084   2.611
  194   HG21  VAL  30          3HG2      VAL  30  -3.748   2.174   0.890
  195   HG22  VAL  30          1HG2      VAL  30  -5.510   2.262   0.916
  196   HG23  VAL  30          2HG2      VAL  30  -4.632   1.727   2.349
  197    H    TYR  31           H        TYR  31  -3.056  -1.008  -1.655
  198    HA   TYR  31           HA       TYR  31  -1.558   1.385  -2.385
  199    HB2  TYR  31           1HB      TYR  31  -0.493  -1.381  -2.980
  200    HB3  TYR  31           2HB      TYR  31   0.260   0.153  -3.401
  201    HD1  TYR  31           HD1      TYR  31   1.317   1.536  -1.668
  202    HD2  TYR  31           HD2      TYR  31  -0.332  -2.278  -0.753
  203    HE1  TYR  31           HE1      TYR  31   2.549   1.521   0.461
  204    HE2  TYR  31           HE2      TYR  31   0.894  -2.304   1.379
  205    HH   TYR  31           HH       TYR  31   2.334  -1.241   2.687
  206    H    HIS  32           H        HIS  32  -2.003   2.078  -4.399
  207    HA   HIS  32           HA       HIS  32  -4.180   1.074  -5.822
  208    HB2  HIS  32           1HB      HIS  32  -2.021   3.045  -6.394
  209    HB3  HIS  32           2HB      HIS  32  -2.985   2.471  -7.752
  210    HD2  HIS  32           HD2      HIS  32  -5.816   2.450  -5.795
  211    HE1  HIS  32           HE1      HIS  32  -5.126   6.633  -5.946
  212    HE2  HIS  32           HE2      HIS  32  -6.772   4.815  -5.371
  213    H    LEU  33           H        LEU  33  -3.823   0.675  -8.359
  214    HA   LEU  33           HA       LEU  33  -2.313  -1.811  -8.484
  215    HB2  LEU  33           1HB      LEU  33  -4.449  -0.543 -10.138
  216    HB3  LEU  33           2HB      LEU  33  -3.438  -1.801 -10.846
  217    HG   LEU  33           HG       LEU  33  -5.135  -2.134  -8.373
  218   HD11  LEU  33          1HD1      LEU  33  -6.451  -1.795 -10.442
  219   HD12  LEU  33          2HD1      LEU  33  -6.644  -3.404  -9.746
  220   HD13  LEU  33          3HD1      LEU  33  -5.616  -3.173 -11.160
  221   HD21  LEU  33          3HD2      LEU  33  -3.032  -3.714  -9.586
  222   HD22  LEU  33          1HD2      LEU  33  -4.551  -4.604  -9.485
  223   HD23  LEU  33          2HD2      LEU  33  -3.838  -3.911  -8.029
  224    H    ASP  34           H        ASP  34  -2.158   1.444  -9.639
  225    HA   ASP  34           HA       ASP  34  -0.013   0.753 -11.518
  226    HB2  ASP  34           1HB      ASP  34  -1.721   3.214 -11.180
  227    HB3  ASP  34           2HB      ASP  34  -0.266   3.217 -12.173
  228    H    CYS  35           H        CYS  35  -0.598   2.127  -8.436
  229    HA   CYS  35           HA       CYS  35   2.028   3.419  -8.358
  230    HB2  CYS  35           1HB      CYS  35  -0.064   3.394  -6.181
  231    HB3  CYS  35           2HB      CYS  35   1.308   4.486  -6.342
  232    H    LEU  36           H        LEU  36   2.585   0.909  -8.598
  233    HA   LEU  36           HA       LEU  36   3.106  -0.078  -5.870
  234    HB2  LEU  36           1HB      LEU  36   2.375  -1.545  -8.375
  235    HB3  LEU  36           2HB      LEU  36   3.273  -2.352  -7.091
  236    HG   LEU  36           HG       LEU  36   0.527  -1.127  -6.829
  237   HD11  LEU  36          1HD1      LEU  36   0.499  -3.865  -6.256
  238   HD12  LEU  36          2HD1      LEU  36   1.425  -3.696  -7.746
  239   HD13  LEU  36          3HD1      LEU  36  -0.213  -3.050  -7.649
  240   HD21  LEU  36          3HD2      LEU  36   0.695  -2.547  -4.645
  241   HD22  LEU  36          1HD2      LEU  36   1.385  -0.925  -4.703
  242   HD23  LEU  36          2HD2      LEU  36   2.431  -2.335  -4.873
  243    H    ASP  37           H        ASP  37   4.955  -1.898  -6.141
  244    HA   ASP  37           HA       ASP  37   7.047  -1.017  -7.956
  245    HB2  ASP  37           1HB      ASP  37   7.467   0.461  -6.112
  246    HB3  ASP  37           2HB      ASP  37   7.306  -0.853  -4.950
  247    HA   PRO  38           HA       PRO  38   7.614  -1.946  -9.490
  248    HB2  PRO  38           1HB      PRO  38   6.811  -3.841 -11.261
  249    HB3  PRO  38           2HB      PRO  38   8.485  -3.682 -10.717
  250    HG2  PRO  38           1HG      PRO  38   6.363  -5.577  -9.786
  251    HG3  PRO  38           2HG      PRO  38   8.074  -5.893 -10.125
  252    HD2  PRO  38           1HD      PRO  38   7.125  -5.555  -7.612
  253    HD3  PRO  38           2HD      PRO  38   8.762  -5.059  -8.089
  254    HA   PRO  39           HA       PRO  39   3.372  -0.887  -9.953
  255    HB2  PRO  39           1HB      PRO  39   3.183  -0.284 -12.593
  256    HB3  PRO  39           2HB      PRO  39   4.027   0.746 -11.431
  257    HG2  PRO  39           1HG      PRO  39   5.150  -1.258 -13.350
  258    HG3  PRO  39           2HG      PRO  39   5.741   0.366 -12.955
  259    HD2  PRO  39           1HD      PRO  39   6.836  -1.878 -11.907
  260    HD3  PRO  39           2HD      PRO  39   6.769  -0.343 -11.018
  261    H    LEU  40           H        LEU  40   1.336  -1.595 -10.682
  262    HA   LEU  40           HA       LEU  40   1.366  -4.194 -12.072
  263    HB2  LEU  40           1HB      LEU  40   0.055  -3.291  -9.615
  264    HB3  LEU  40           2HB      LEU  40  -1.014  -4.141 -10.730
  265    HG   LEU  40           HG       LEU  40   1.548  -5.224  -9.558
  266   HD11  LEU  40          1HD1      LEU  40  -0.974  -6.588  -9.015
  267   HD12  LEU  40          2HD1      LEU  40  -0.879  -4.968  -8.325
  268   HD13  LEU  40          3HD1      LEU  40   0.350  -6.169  -7.927
  269   HD21  LEU  40          3HD2      LEU  40   0.395  -7.375 -10.553
  270   HD22  LEU  40          1HD2      LEU  40   1.439  -6.355 -11.542
  271   HD23  LEU  40          2HD2      LEU  40  -0.313  -6.201 -11.664
  272    H    LYS  41           H        LYS  41  -1.052  -4.658 -12.837
  273    HA   LYS  41           HA       LYS  41  -2.183  -2.252 -14.066
  274    HB2  LYS  41           1HB      LYS  41  -0.676  -3.167 -15.744
  275    HB3  LYS  41           2HB      LYS  41  -1.408  -4.757 -15.572
  276    HG2  LYS  41           1HG      LYS  41  -3.467  -3.984 -16.514
  277    HG3  LYS  41           2HG      LYS  41  -2.891  -2.316 -16.518
  278    HD2  LYS  41           1HD      LYS  41  -1.827  -2.595 -18.461
  279    HD3  LYS  41           2HD      LYS  41  -1.080  -4.100 -17.919
  280    HE2  LYS  41           1HE      LYS  41  -3.035  -5.353 -18.523
  281    HE3  LYS  41           2HE      LYS  41  -3.928  -3.876 -18.881
  282    HZ1  LYS  41           3HZ      LYS  41  -2.015  -5.311 -20.500
  283    HZ2  LYS  41           1HZ      LYS  41  -1.789  -3.634 -20.482
  284    HZ3  LYS  41           2HZ      LYS  41  -3.274  -4.282 -20.967
  285    H    THR  42           H        THR  42  -2.702  -5.759 -14.409
  286    HA   THR  42           HA       THR  42  -5.552  -5.345 -13.930
  287    HB   THR  42           HB       THR  42  -5.918  -7.529 -14.811
  288    HG1  THR  42           HG1      THR  42  -4.217  -8.972 -15.181
  289   HG21  THR  42          3HG2      THR  42  -5.354  -5.770 -16.461
  290   HG22  THR  42          1HG2      THR  42  -4.921  -7.387 -17.014
  291   HG23  THR  42          2HG2      THR  42  -3.672  -6.297 -16.411
  292    H    ILE  43           H        ILE  43  -6.398  -7.674 -12.886
  293    HA   ILE  43           HA       ILE  43  -5.736  -7.399 -10.127
  294    HB   ILE  43           HB       ILE  43  -7.363  -9.552 -11.485
  295   HG12  ILE  43          1HG1      ILE  43  -9.171  -7.987 -10.242
  296   HG13  ILE  43          2HG1      ILE  43  -7.952  -6.775 -10.622
  297   HG21  ILE  43          1HG2      ILE  43  -7.557 -10.520  -9.499
  298   HG22  ILE  43          2HG2      ILE  43  -6.425  -9.347  -8.829
  299   HG23  ILE  43          3HG2      ILE  43  -8.157  -9.016  -8.801
  300   HD11  ILE  43          3HD1      ILE  43  -9.955  -7.526 -12.275
  301   HD12  ILE  43          1HD1      ILE  43  -8.437  -6.802 -12.803
  302   HD13  ILE  43          2HD1      ILE  43  -8.639  -8.554 -12.843
  303    HA   PRO  44           HA       PRO  44  -2.219 -10.165 -10.349
  304    HB2  PRO  44           1HB      PRO  44  -1.480  -9.824  -7.759
  305    HB3  PRO  44           2HB      PRO  44  -1.118  -8.645  -9.024
  306    HG2  PRO  44           1HG      PRO  44  -3.315  -8.627  -6.991
  307    HG3  PRO  44           2HG      PRO  44  -2.279  -7.293  -7.530
  308    HD2  PRO  44           1HD      PRO  44  -4.809  -7.629  -8.435
  309    HD3  PRO  44           2HD      PRO  44  -3.520  -6.932  -9.438
  310    H    LYS  45           H        LYS  45  -3.667 -12.002 -10.616
  311    HA   LYS  45           HA       LYS  45  -5.130 -13.263  -8.645
  312    HB2  LYS  45           1HB      LYS  45  -4.331 -13.850 -11.257
  313    HB3  LYS  45           2HB      LYS  45  -3.735 -15.197 -10.296
  314    HG2  LYS  45           1HG      LYS  45  -6.037 -15.438  -9.356
  315    HG3  LYS  45           2HG      LYS  45  -6.573 -14.228 -10.524
  316    HD2  LYS  45           1HD      LYS  45  -5.013 -16.511 -11.584
  317    HD3  LYS  45           2HD      LYS  45  -6.645 -16.861 -11.010
  318    HE2  LYS  45           1HE      LYS  45  -7.231 -16.264 -13.102
  319    HE3  LYS  45           2HE      LYS  45  -7.103 -14.628 -12.458
  320    HZ1  LYS  45           3HZ      LYS  45  -5.914 -14.945 -14.577
  321    HZ2  LYS  45           1HZ      LYS  45  -4.895 -16.066 -13.824
  322    HZ3  LYS  45           2HZ      LYS  45  -4.892 -14.451 -13.322
  323    H    GLY  46           H        GLY  46  -4.620 -15.339  -7.527
  324    HA2  GLY  46           1HA      GLY  46  -3.322 -16.639  -6.135
  325    HA3  GLY  46           2HA      GLY  46  -1.903 -16.010  -6.960
  326    H    MET  47           H        MET  47  -1.978 -16.480  -4.206
  327    HA   MET  47           HA       MET  47  -2.649 -14.366  -2.563
  328    HB2  MET  47           1HB      MET  47  -1.894 -16.426  -1.605
  329    HB3  MET  47           2HB      MET  47  -0.332 -16.293  -2.401
  330    HG2  MET  47           1HG      MET  47   0.458 -14.757  -0.910
  331    HG3  MET  47           2HG      MET  47  -1.147 -14.139  -0.528
  332    HE1  MET  47           3HE      MET  47   0.671 -14.176   1.447
  333    HE2  MET  47           1HE      MET  47   0.105 -15.113   2.830
  334    HE3  MET  47           2HE      MET  47   1.466 -15.693   1.870
  335    H    TRP  48           H        TRP  48  -2.239 -12.305  -3.117
  336    HA   TRP  48           HA       TRP  48   0.408 -11.576  -4.116
  337    HB2  TRP  48           1HB      TRP  48  -1.576 -10.704  -5.294
  338    HB3  TRP  48           2HB      TRP  48  -2.091  -9.895  -3.816
  339    HD1  TRP  48           HD1      TRP  48   0.602  -9.694  -6.548
  340    HE1  TRP  48           HE1      TRP  48   1.619  -7.329  -6.515
  341    HE3  TRP  48           HE3      TRP  48  -1.699  -7.879  -2.358
  342    HZ2  TRP  48           HZ2      TRP  48   1.465  -5.003  -4.923
  343    HZ3  TRP  48           HZ3      TRP  48  -1.209  -5.575  -1.648
  344    HH2  TRP  48           HH2      TRP  48   0.341  -4.168  -2.905
  345    H    ILE  49           H        ILE  49   1.725 -10.033  -3.123
  346    HA   ILE  49           HA       ILE  49   0.967  -9.139  -0.440
  347    HB   ILE  49           HB       ILE  49   3.628 -10.446  -1.009
  348   HG12  ILE  49          1HG1      ILE  49   1.300 -11.524   0.595
  349   HG13  ILE  49          2HG1      ILE  49   1.730 -12.060  -1.025
  350   HG21  ILE  49          1HG2      ILE  49   2.638  -8.774   1.116
  351   HG22  ILE  49          2HG2      ILE  49   3.113 -10.356   1.733
  352   HG23  ILE  49          3HG2      ILE  49   4.270  -9.377   0.831
  353   HD11  ILE  49          3HD1      ILE  49   3.218 -13.478  -0.214
  354   HD12  ILE  49          1HD1      ILE  49   4.012 -12.200   0.707
  355   HD13  ILE  49          2HD1      ILE  49   2.647 -13.073   1.404
  356    H    CYS  50           H        CYS  50   1.446  -7.066  -0.128
  357    HA   CYS  50           HA       CYS  50   2.464  -5.393  -2.079
  358    HB2  CYS  50           1HB      CYS  50   2.518  -3.673  -0.425
  359    HB3  CYS  50           2HB      CYS  50   1.167  -4.726  -0.017
  360    HA   PRO  51           HA       PRO  51   6.834  -5.799  -2.041
  361    HB2  PRO  51           1HB      PRO  51   7.599  -3.260  -2.621
  362    HB3  PRO  51           2HB      PRO  51   6.863  -4.338  -3.814
  363    HG2  PRO  51           1HG      PRO  51   5.601  -2.153  -2.202
  364    HG3  PRO  51           2HG      PRO  51   5.382  -2.548  -3.917
  365    HD2  PRO  51           1HD      PRO  51   3.601  -3.281  -2.013
  366    HD3  PRO  51           2HD      PRO  51   3.906  -4.259  -3.463
  367    H    ARG  52           H        ARG  52   5.213  -3.811   0.206
  368    HA   ARG  52           HA       ARG  52   7.550  -2.878   1.600
  369    HB2  ARG  52           1HB      ARG  52   4.794  -2.269   1.608
  370    HB3  ARG  52           2HB      ARG  52   5.181  -2.835   3.227
  371    HG2  ARG  52           1HG      ARG  52   7.122  -0.939   2.147
  372    HG3  ARG  52           2HG      ARG  52   5.494  -0.283   2.326
  373    HD2  ARG  52           1HD      ARG  52   5.465  -1.026   4.664
  374    HD3  ARG  52           2HD      ARG  52   7.101  -1.656   4.478
  375    HE   ARG  52           HE       ARG  52   7.148   1.030   3.752
  376   HH11  ARG  52          1HH1      ARG  52   6.557  -0.902   6.587
  377   HH12  ARG  52          2HH1      ARG  52   7.109   0.314   7.691
  378   HH21  ARG  52          1HH2      ARG  52   7.879   2.639   5.195
  379   HH22  ARG  52          2HH2      ARG  52   7.860   2.328   6.898
  380    H    CYS  53           H        CYS  53   5.534  -5.683   1.668
  381    HA   CYS  53           HA       CYS  53   6.403  -6.517   4.303
  382    HB2  CYS  53           1HB      CYS  53   4.563  -7.631   2.219
  383    HB3  CYS  53           2HB      CYS  53   5.175  -8.690   3.485
  384    H    GLN  54           H        GLN  54   6.758  -7.750   0.978
  385    HA   GLN  54           HA       GLN  54   8.463  -9.860   1.479
  386    HB2  GLN  54           1HB      GLN  54   8.303  -8.006  -0.894
  387    HB3  GLN  54           2HB      GLN  54   9.328  -9.435  -0.868
  388    HG2  GLN  54           1HG      GLN  54   6.488  -9.825  -0.157
  389    HG3  GLN  54           2HG      GLN  54   6.845  -9.431  -1.838
  390   HE21  GLN  54          1HE2      GLN  54   6.988 -11.159  -3.056
  391   HE22  GLN  54          2HE2      GLN  54   7.637 -12.691  -2.590
  392    H    ASP  55           H        ASP  55   9.154  -6.444   1.398
  393    HA   ASP  55           HA       ASP  55  12.001  -6.723   1.292
  394    HB2  ASP  55           1HB      ASP  55  10.551  -4.673   0.648
  395    HB3  ASP  55           2HB      ASP  55  10.578  -4.304   2.370
  396    H    GLN  56           H        GLN  56   9.946  -5.408   3.896
  397    HA   GLN  56           HA       GLN  56  11.544  -6.890   5.849
  398    HB2  GLN  56           1HB      GLN  56  12.401  -4.493   5.497
  399    HB3  GLN  56           2HB      GLN  56  10.916  -3.980   6.287
  400    HG2  GLN  56           1HG      GLN  56  11.599  -4.658   8.326
  401    HG3  GLN  56           2HG      GLN  56  12.492  -6.038   7.690
  402   HE21  GLN  56          1HE2      GLN  56  13.098  -3.714   9.571
  403   HE22  GLN  56          2HE2      GLN  56  14.615  -3.114   9.001
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -13.132   6.011  25.830
    2    HA2  GLY   1           1HA      GLY   1 -10.389   5.160  25.782
    3    HA3  GLY   1           2HA      GLY   1 -11.374   4.198  26.874
    4    H    SER   2           H        SER   2 -10.917   5.168  23.528
    5    HA   SER   2           HA       SER   2 -12.799   3.122  22.628
    6    HB2  SER   2           1HB      SER   2 -13.021   5.237  21.502
    7    HB3  SER   2           2HB      SER   2 -11.295   5.288  21.146
    8    HG   SER   2           HG       SER   2 -13.016   4.451  19.518
    9    H    SER   3           H        SER   3 -12.197   1.510  21.101
   10    HA   SER   3           HA       SER   3  -9.411   1.044  20.527
   11    HB2  SER   3           1HB      SER   3  -9.962  -1.411  21.612
   12    HB3  SER   3           2HB      SER   3  -9.037  -0.143  22.416
   13    HG   SER   3           HG       SER   3 -10.757   0.375  23.622
   14    H    GLY   4           H        GLY   4  -9.234   0.063  18.612
   15    HA2  GLY   4           1HA      GLY   4 -11.524  -1.539  17.659
   16    HA3  GLY   4           2HA      GLY   4 -10.757  -0.338  16.630
   17    H    SER   5           H        SER   5 -11.050  -3.127  16.058
   18    HA   SER   5           HA       SER   5  -8.208  -3.891  15.932
   19    HB2  SER   5           1HB      SER   5 -10.362  -5.976  15.948
   20    HB3  SER   5           2HB      SER   5  -8.670  -6.115  16.427
   21    HG   SER   5           HG       SER   5 -10.559  -5.905  18.071
   22    H    SER   6           H        SER   6  -7.436  -4.259  13.954
   23    HA   SER   6           HA       SER   6  -7.317  -4.531  11.698
   24    HB2  SER   6           1HB      SER   6  -8.497  -6.278  10.854
   25    HB3  SER   6           2HB      SER   6  -9.018  -6.486  12.525
   26    HG   SER   6           HG       SER   6 -10.912  -5.460  12.064
   27    H    GLY   7           H        GLY   7  -8.632  -4.044   9.578
   28    HA2  GLY   7           1HA      GLY   7 -10.690  -2.604   8.995
   29    HA3  GLY   7           2HA      GLY   7  -9.891  -1.420  10.019
   30    H    HIS   8           H        HIS   8  -7.216  -2.054   9.161
   31    HA   HIS   8           HA       HIS   8  -5.701  -1.351   7.617
   32    HB2  HIS   8           1HB      HIS   8  -7.873  -2.391   5.799
   33    HB3  HIS   8           2HB      HIS   8  -6.332  -1.794   5.189
   34    HD2  HIS   8           HD2      HIS   8  -5.499  -4.309   4.332
   35    HE1  HIS   8           HE1      HIS   8  -5.394  -6.076   8.188
   36    HE2  HIS   8           HE2      HIS   8  -4.714  -6.308   5.774
   37    H    GLU   9           H        GLU   9  -5.540   0.098   5.496
   38    HA   GLU   9           HA       GLU   9  -6.856   2.588   6.210
   39    HB2  GLU   9           1HB      GLU   9  -4.839   2.140   4.011
   40    HB3  GLU   9           2HB      GLU   9  -5.274   3.664   4.772
   41    HG2  GLU   9           1HG      GLU   9  -3.953   1.385   6.221
   42    HG3  GLU   9           2HG      GLU   9  -3.079   2.724   5.481
   43    H    ASP  10           H        ASP  10  -7.210   3.996   4.026
   44    HA   ASP  10           HA       ASP  10  -8.689   2.426   2.061
   45    HB2  ASP  10           1HB      ASP  10  -9.926   4.638   3.711
   46    HB3  ASP  10           2HB      ASP  10 -10.661   3.950   2.266
   47    H    PHE  11           H        PHE  11  -6.236   4.107   2.157
   48    HA   PHE  11           HA       PHE  11  -6.866   5.736  -0.176
   49    HB2  PHE  11           1HB      PHE  11  -5.281   6.914   2.107
   50    HB3  PHE  11           2HB      PHE  11  -5.863   7.734   0.661
   51    HD1  PHE  11           HD1      PHE  11  -8.342   8.059   0.374
   52    HD2  PHE  11           HD2      PHE  11  -6.592   6.792   4.041
   53    HE1  PHE  11           HE1      PHE  11 -10.381   8.734   1.576
   54    HE2  PHE  11           HE2      PHE  11  -8.628   7.463   5.248
   55    HZ   PHE  11           HZ       PHE  11 -10.526   8.435   4.016
   56    H    CYS  12           H        CYS  12  -5.234   5.836  -1.647
   57    HA   CYS  12           HA       CYS  12  -3.254   3.914  -1.689
   58    HB2  CYS  12           1HB      CYS  12  -4.071   5.223  -3.656
   59    HB3  CYS  12           2HB      CYS  12  -3.121   6.592  -3.087
   60    H    SER  13           H        SER  13  -1.157   3.777  -1.060
   61    HA   SER  13           HA       SER  13  -0.225   5.831   0.798
   62    HB2  SER  13           1HB      SER  13  -0.198   3.094   0.962
   63    HB3  SER  13           2HB      SER  13   1.450   3.440   0.436
   64    HG   SER  13           HG       SER  13   0.171   4.682   2.645
   65    H    VAL  14           H        VAL  14  -0.172   6.505  -1.942
   66    HA   VAL  14           HA       VAL  14   2.666   7.065  -2.231
   67    HB   VAL  14           HB       VAL  14   1.100   5.721  -4.438
   68   HG11  VAL  14          1HG1      VAL  14   3.903   6.830  -4.387
   69   HG12  VAL  14          2HG1      VAL  14   3.251   5.810  -5.672
   70   HG13  VAL  14          3HG1      VAL  14   2.552   7.401  -5.366
   71   HG21  VAL  14          3HG2      VAL  14   2.911   3.987  -4.209
   72   HG22  VAL  14          1HG2      VAL  14   3.378   4.784  -2.706
   73   HG23  VAL  14          2HG2      VAL  14   1.773   4.070  -2.865
   74    H    CYS  15           H        CYS  15  -0.575   7.420  -3.632
   75    HA   CYS  15           HA       CYS  15   0.130  10.189  -4.357
   76    HB2  CYS  15           1HB      CYS  15  -1.531  10.067  -6.127
   77    HB3  CYS  15           2HB      CYS  15  -0.382   8.744  -6.301
   78    H    ARG  16           H        ARG  16  -2.015   8.124  -2.613
   79    HA   ARG  16           HA       ARG  16  -3.681   8.539  -1.121
   80    HB2  ARG  16           1HB      ARG  16  -2.913  11.451  -1.262
   81    HB3  ARG  16           2HB      ARG  16  -3.679  10.598   0.071
   82    HG2  ARG  16           1HG      ARG  16  -1.352   9.207  -0.219
   83    HG3  ARG  16           2HG      ARG  16  -0.855  10.849  -0.628
   84    HD2  ARG  16           1HD      ARG  16  -1.643  11.686   1.464
   85    HD3  ARG  16           2HD      ARG  16  -2.419  10.150   1.848
   86    HE   ARG  16           HE       ARG  16   0.354   9.773   1.458
   87   HH11  ARG  16          1HH1      ARG  16  -1.929  11.094   3.730
   88   HH12  ARG  16          2HH1      ARG  16  -0.911  10.829   5.106
   89   HH21  ARG  16          1HH2      ARG  16   1.704   9.419   3.262
   90   HH22  ARG  16          2HH2      ARG  16   1.156   9.878   4.839
   91    H    LYS  17           H        LYS  17  -5.246   7.998  -2.712
   92    HA   LYS  17           HA       LYS  17  -6.942  10.268  -3.434
   93    HB2  LYS  17           1HB      LYS  17  -5.488   8.560  -5.313
   94    HB3  LYS  17           2HB      LYS  17  -7.217   8.623  -5.632
   95    HG2  LYS  17           1HG      LYS  17  -5.631  11.128  -5.218
   96    HG3  LYS  17           2HG      LYS  17  -5.692  10.328  -6.790
   97    HD2  LYS  17           1HD      LYS  17  -8.274  10.378  -6.390
   98    HD3  LYS  17           2HD      LYS  17  -7.877  11.668  -5.253
   99    HE2  LYS  17           1HE      LYS  17  -7.443  13.128  -6.894
  100    HE3  LYS  17           2HE      LYS  17  -6.535  11.941  -7.829
  101    HZ1  LYS  17           3HZ      LYS  17  -9.478  11.813  -7.707
  102    HZ2  LYS  17           1HZ      LYS  17  -8.434  11.199  -8.889
  103    HZ3  LYS  17           2HZ      LYS  17  -8.712  12.865  -8.788
  104    H    SER  18           H        SER  18  -9.034   9.251  -4.554
  105    HA   SER  18           HA       SER  18  -9.967   7.198  -2.675
  106    HB2  SER  18           1HB      SER  18 -11.992   8.230  -2.652
  107    HB3  SER  18           2HB      SER  18 -11.073   9.613  -3.245
  108    HG   SER  18           HG       SER  18 -12.931   8.057  -4.528
  109    H    GLY  19           H        GLY  19 -11.917   5.907  -3.707
  110    HA2  GLY  19           1HA      GLY  19 -12.720   4.888  -5.775
  111    HA3  GLY  19           2HA      GLY  19 -11.074   4.987  -6.384
  112    H    GLN  20           H        GLN  20 -10.858   2.811  -6.817
  113    HA   GLN  20           HA       GLN  20 -11.255   0.913  -4.636
  114    HB2  GLN  20           1HB      GLN  20 -10.905   0.691  -7.592
  115    HB3  GLN  20           2HB      GLN  20 -10.462  -0.685  -6.590
  116    HG2  GLN  20           1HG      GLN  20 -12.932   0.011  -5.616
  117    HG3  GLN  20           2HG      GLN  20 -13.085   0.312  -7.347
  118   HE21  GLN  20          1HE2      GLN  20 -12.391  -2.091  -4.906
  119   HE22  GLN  20          2HE2      GLN  20 -12.700  -3.471  -5.899
  120    H    LEU  21           H        LEU  21  -9.645  -0.013  -3.518
  121    HA   LEU  21           HA       LEU  21  -6.887   0.370  -4.470
  122    HB2  LEU  21           1HB      LEU  21  -8.129   1.217  -1.946
  123    HB3  LEU  21           2HB      LEU  21  -6.590   0.377  -1.768
  124    HG   LEU  21           HG       LEU  21  -6.759   2.637  -3.702
  125   HD11  LEU  21          1HD1      LEU  21  -7.812   3.152  -1.329
  126   HD12  LEU  21          2HD1      LEU  21  -6.764   4.306  -2.155
  127   HD13  LEU  21          3HD1      LEU  21  -6.111   3.280  -0.878
  128   HD21  LEU  21          3HD2      LEU  21  -4.722   1.300  -3.519
  129   HD22  LEU  21          1HD2      LEU  21  -4.631   1.667  -1.796
  130   HD23  LEU  21          2HD2      LEU  21  -4.449   2.959  -2.984
  131    H    LEU  22           H        LEU  22  -5.416  -1.259  -3.953
  132    HA   LEU  22           HA       LEU  22  -6.589  -3.857  -3.571
  133    HB2  LEU  22           1HB      LEU  22  -4.571  -3.127  -5.059
  134    HB3  LEU  22           2HB      LEU  22  -3.643  -3.359  -3.579
  135    HG   LEU  22           HG       LEU  22  -4.401  -5.706  -3.505
  136   HD11  LEU  22          1HD1      LEU  22  -6.123  -4.768  -5.651
  137   HD12  LEU  22          2HD1      LEU  22  -6.265  -6.194  -4.624
  138   HD13  LEU  22          3HD1      LEU  22  -5.251  -6.244  -6.066
  139   HD21  LEU  22          3HD2      LEU  22  -2.403  -4.640  -4.976
  140   HD22  LEU  22          1HD2      LEU  22  -3.296  -5.508  -6.225
  141   HD23  LEU  22          2HD2      LEU  22  -2.693  -6.373  -4.811
  142    H    MET  23           H        MET  23  -5.988  -5.370  -1.938
  143    HA   MET  23           HA       MET  23  -5.069  -4.103   0.559
  144    HB2  MET  23           1HB      MET  23  -7.047  -6.372   0.286
  145    HB3  MET  23           2HB      MET  23  -6.535  -5.616   1.788
  146    HG2  MET  23           1HG      MET  23  -7.488  -3.468   0.917
  147    HG3  MET  23           2HG      MET  23  -8.170  -4.396  -0.416
  148    HE1  MET  23           3HE      MET  23  -9.572  -4.152   3.893
  149    HE2  MET  23           1HE      MET  23  -7.963  -3.754   3.289
  150    HE3  MET  23           2HE      MET  23  -9.353  -2.784   2.801
  151    H    CYS  24           H        CYS  24  -3.470  -5.081   1.677
  152    HA   CYS  24           HA       CYS  24  -2.066  -7.249   0.394
  153    HB2  CYS  24           1HB      CYS  24  -0.830  -5.370   1.384
  154    HB3  CYS  24           2HB      CYS  24  -1.474  -5.778   2.971
  155    H    ASP  25           H        ASP  25  -1.695  -9.296   1.218
  156    HA   ASP  25           HA       ASP  25  -3.694 -10.214   3.143
  157    HB2  ASP  25           1HB      ASP  25  -2.990 -11.270   0.766
  158    HB3  ASP  25           2HB      ASP  25  -1.891 -12.160   1.818
  159    H    THR  26           H        THR  26  -1.641  -8.726   4.268
  160    HA   THR  26           HA       THR  26  -0.599 -10.623   6.164
  161    HB   THR  26           HB       THR  26   1.681  -9.060   5.385
  162    HG1  THR  26           HG1      THR  26   1.000 -10.870   3.346
  163   HG21  THR  26          3HG2      THR  26   2.790 -11.165   5.411
  164   HG22  THR  26          1HG2      THR  26   1.281 -12.038   5.149
  165   HG23  THR  26          2HG2      THR  26   1.572 -11.222   6.685
  166    H    CYS  27           H        CYS  27   0.294  -7.350   5.054
  167    HA   CYS  27           HA       CYS  27   0.139  -6.396   7.800
  168    HB2  CYS  27           1HB      CYS  27   1.213  -4.390   6.992
  169    HB3  CYS  27           2HB      CYS  27   2.066  -5.786   6.340
  170    H    SER  28           H        SER  28  -0.588  -3.801   7.547
  171    HA   SER  28           HA       SER  28  -3.362  -3.963   6.563
  172    HB2  SER  28           1HB      SER  28  -2.417  -2.254   8.869
  173    HB3  SER  28           2HB      SER  28  -4.080  -2.609   8.400
  174    HG   SER  28           HG       SER  28  -2.362  -4.053   9.946
  175    H    ARG  29           H        ARG  29  -1.902  -3.196   4.620
  176    HA   ARG  29           HA       ARG  29  -2.148  -0.270   4.541
  177    HB2  ARG  29           1HB      ARG  29   0.150  -1.842   3.360
  178    HB3  ARG  29           2HB      ARG  29  -0.078  -0.101   3.256
  179    HG2  ARG  29           1HG      ARG  29   0.009  -1.304   5.961
  180    HG3  ARG  29           2HG      ARG  29   1.517  -1.224   5.049
  181    HD2  ARG  29           1HD      ARG  29   0.901   1.235   4.639
  182    HD3  ARG  29           2HD      ARG  29  -0.262   1.019   5.946
  183    HE   ARG  29           HE       ARG  29   2.254   0.116   6.802
  184   HH11  ARG  29          1HH1      ARG  29   0.601   3.069   5.984
  185   HH12  ARG  29          2HH1      ARG  29   1.562   4.052   7.039
  186   HH21  ARG  29          1HH2      ARG  29   3.525   1.400   8.195
  187   HH22  ARG  29          2HH2      ARG  29   3.225   3.102   8.295
  188    H    VAL  30           H        VAL  30  -2.520   0.617   2.441
  189    HA   VAL  30           HA       VAL  30  -3.508  -1.352   0.480
  190    HB   VAL  30           HB       VAL  30  -5.229   0.283  -0.184
  191   HG11  VAL  30          1HG1      VAL  30  -6.645   0.065   1.859
  192   HG12  VAL  30          2HG1      VAL  30  -5.886  -1.442   1.341
  193   HG13  VAL  30          3HG1      VAL  30  -5.229  -0.548   2.713
  194   HG21  VAL  30          3HG2      VAL  30  -4.533   2.398   0.361
  195   HG22  VAL  30          1HG2      VAL  30  -5.634   2.077   1.702
  196   HG23  VAL  30          2HG2      VAL  30  -3.894   1.903   1.928
  197    H    TYR  31           H        TYR  31  -2.990  -1.042  -1.635
  198    HA   TYR  31           HA       TYR  31  -1.623   1.430  -2.404
  199    HB2  TYR  31           1HB      TYR  31  -0.499  -1.314  -2.996
  200    HB3  TYR  31           2HB      TYR  31   0.211   0.233  -3.445
  201    HD1  TYR  31           HD2      TYR  31   1.213   1.685  -1.717
  202    HD2  TYR  31           HD1      TYR  31  -0.241  -2.204  -0.786
  203    HE1  TYR  31           HE2      TYR  31   2.475   1.724   0.394
  204    HE2  TYR  31           HE1      TYR  31   1.016  -2.175   1.327
  205    HH   TYR  31           HH       TYR  31   2.621  -1.100   2.501
  206    H    HIS  32           H        HIS  32  -2.100   2.107  -4.418
  207    HA   HIS  32           HA       HIS  32  -4.267   1.049  -5.818
  208    HB2  HIS  32           1HB      HIS  32  -2.149   3.058  -6.434
  209    HB3  HIS  32           2HB      HIS  32  -3.150   2.475  -7.760
  210    HD2  HIS  32           HD2      HIS  32  -5.868   2.420  -5.585
  211    HE1  HIS  32           HE1      HIS  32  -5.315   6.608  -5.975
  212    HE2  HIS  32           HE2      HIS  32  -6.859   4.777  -5.195
  213    H    LEU  33           H        LEU  33  -3.919   0.659  -8.360
  214    HA   LEU  33           HA       LEU  33  -2.353  -1.791  -8.494
  215    HB2  LEU  33           1HB      LEU  33  -4.563  -0.590 -10.087
  216    HB3  LEU  33           2HB      LEU  33  -3.505  -1.765 -10.866
  217    HG   LEU  33           HG       LEU  33  -5.147  -2.265  -8.383
  218   HD11  LEU  33          1HD1      LEU  33  -5.707  -2.534 -11.253
  219   HD12  LEU  33          2HD1      LEU  33  -6.811  -2.393  -9.885
  220   HD13  LEU  33          3HD1      LEU  33  -6.088  -3.953 -10.276
  221   HD21  LEU  33          3HD2      LEU  33  -4.491  -4.694  -9.291
  222   HD22  LEU  33          1HD2      LEU  33  -3.518  -3.814  -8.111
  223   HD23  LEU  33          2HD2      LEU  33  -3.063  -3.799  -9.816
  224    H    ASP  34           H        ASP  34  -2.297   1.463  -9.666
  225    HA   ASP  34           HA       ASP  34  -0.153   0.822 -11.564
  226    HB2  ASP  34           1HB      ASP  34  -1.927   3.230 -11.210
  227    HB3  ASP  34           2HB      ASP  34  -0.472   3.290 -12.201
  228    H    CYS  35           H        CYS  35  -0.727   2.165  -8.470
  229    HA   CYS  35           HA       CYS  35   1.871   3.516  -8.424
  230    HB2  CYS  35           1HB      CYS  35  -0.202   3.463  -6.229
  231    HB3  CYS  35           2HB      CYS  35   1.149   4.578  -6.405
  232    H    LEU  36           H        LEU  36   2.484   1.025  -8.658
  233    HA   LEU  36           HA       LEU  36   3.039   0.054  -5.932
  234    HB2  LEU  36           1HB      LEU  36   2.323  -1.435  -8.429
  235    HB3  LEU  36           2HB      LEU  36   3.244  -2.220  -7.147
  236    HG   LEU  36           HG       LEU  36   0.476  -1.048  -6.873
  237   HD11  LEU  36          1HD1      LEU  36  -0.232  -2.986  -7.683
  238   HD12  LEU  36          2HD1      LEU  36   0.504  -3.786  -6.295
  239   HD13  LEU  36          3HD1      LEU  36   1.418  -3.600  -7.792
  240   HD21  LEU  36          3HD2      LEU  36   2.349  -2.348  -4.919
  241   HD22  LEU  36          1HD2      LEU  36   0.602  -2.341  -4.675
  242   HD23  LEU  36          2HD2      LEU  36   1.485  -0.817  -4.771
  243    H    ASP  37           H        ASP  37   4.923  -1.729  -6.210
  244    HA   ASP  37           HA       ASP  37   6.986  -0.808  -8.039
  245    HB2  ASP  37           1HB      ASP  37   7.102  -0.451  -5.065
  246    HB3  ASP  37           2HB      ASP  37   8.585  -0.765  -5.962
  247    HA   PRO  38           HA       PRO  38   7.560  -1.724  -9.578
  248    HB2  PRO  38           1HB      PRO  38   6.781  -3.633 -11.344
  249    HB3  PRO  38           2HB      PRO  38   8.456  -3.443 -10.812
  250    HG2  PRO  38           1HG      PRO  38   6.377  -5.379  -9.868
  251    HG3  PRO  38           2HG      PRO  38   8.092  -5.662 -10.219
  252    HD2  PRO  38           1HD      PRO  38   7.154  -5.344  -7.699
  253    HD3  PRO  38           2HD      PRO  38   8.777  -4.815  -8.188
  254    HA   PRO  39           HA       PRO  39   3.294  -0.748 -10.010
  255    HB2  PRO  39           1HB      PRO  39   3.075  -0.148 -12.649
  256    HB3  PRO  39           2HB      PRO  39   3.907   0.898 -11.492
  257    HG2  PRO  39           1HG      PRO  39   5.055  -1.083 -13.420
  258    HG3  PRO  39           2HG      PRO  39   5.618   0.552 -13.028
  259    HD2  PRO  39           1HD      PRO  39   6.763  -1.670 -11.989
  260    HD3  PRO  39           2HD      PRO  39   6.673  -0.137 -11.099
  261    H    LEU  40           H        LEU  40   1.267  -1.494 -10.730
  262    HA   LEU  40           HA       LEU  40   1.338  -4.089 -12.125
  263    HB2  LEU  40           1HB      LEU  40   0.029  -3.222  -9.653
  264    HB3  LEU  40           2HB      LEU  40  -1.027  -4.096 -10.760
  265    HG   LEU  40           HG       LEU  40   1.570  -5.116  -9.611
  266   HD11  LEU  40          1HD1      LEU  40  -1.119  -5.100  -8.609
  267   HD12  LEU  40          2HD1      LEU  40   0.354  -5.708  -7.855
  268   HD13  LEU  40          3HD1      LEU  40  -0.590  -6.754  -8.915
  269   HD21  LEU  40          3HD2      LEU  40   0.591  -7.296 -10.597
  270   HD22  LEU  40          1HD2      LEU  40   1.412  -6.166 -11.674
  271   HD23  LEU  40          2HD2      LEU  40  -0.350  -6.216 -11.627
  272    H    LYS  41           H        LYS  41  -1.077  -4.602 -12.869
  273    HA   LYS  41           HA       LYS  41  -2.263  -2.214 -14.084
  274    HB2  LYS  41           1HB      LYS  41  -0.786  -3.088 -15.792
  275    HB3  LYS  41           2HB      LYS  41  -1.439  -4.707 -15.581
  276    HG2  LYS  41           1HG      LYS  41  -2.319  -3.665 -17.587
  277    HG3  LYS  41           2HG      LYS  41  -3.604  -3.950 -16.412
  278    HD2  LYS  41           1HD      LYS  41  -3.850  -1.704 -15.938
  279    HD3  LYS  41           2HD      LYS  41  -2.206  -1.310 -16.448
  280    HE2  LYS  41           1HE      LYS  41  -2.816  -1.006 -18.589
  281    HE3  LYS  41           2HE      LYS  41  -3.906  -2.392 -18.576
  282    HZ1  LYS  41           3HZ      LYS  41  -4.992  -0.177 -18.881
  283    HZ2  LYS  41           1HZ      LYS  41  -4.563   0.195 -17.287
  284    HZ3  LYS  41           2HZ      LYS  41  -5.608  -1.097 -17.601
  285    H    THR  42           H        THR  42  -2.755  -5.719 -14.457
  286    HA   THR  42           HA       THR  42  -5.595  -5.339 -13.900
  287    HB   THR  42           HB       THR  42  -5.954  -7.529 -14.795
  288    HG1  THR  42           HG1      THR  42  -4.449  -9.012 -14.707
  289   HG21  THR  42          3HG2      THR  42  -3.811  -6.226 -16.474
  290   HG22  THR  42          1HG2      THR  42  -5.492  -5.700 -16.419
  291   HG23  THR  42          2HG2      THR  42  -5.089  -7.302 -17.035
  292    H    ILE  43           H        ILE  43  -6.396  -7.695 -12.881
  293    HA   ILE  43           HA       ILE  43  -5.669  -7.468 -10.134
  294    HB   ILE  43           HB       ILE  43  -7.309  -9.611 -11.491
  295   HG12  ILE  43          1HG1      ILE  43  -8.249  -7.372 -11.827
  296   HG13  ILE  43          2HG1      ILE  43  -9.251  -8.310 -10.725
  297   HG21  ILE  43          1HG2      ILE  43  -7.458 -10.611  -9.518
  298   HG22  ILE  43          2HG2      ILE  43  -6.308  -9.448  -8.859
  299   HG23  ILE  43          3HG2      ILE  43  -8.039  -9.119  -8.778
  300   HD11  ILE  43          3HD1      ILE  43  -7.448  -6.962  -9.091
  301   HD12  ILE  43          1HD1      ILE  43  -7.935  -5.790 -10.315
  302   HD13  ILE  43          2HD1      ILE  43  -9.156  -6.597  -9.331
  303    HA   PRO  44           HA       PRO  44  -2.135 -10.196 -10.494
  304    HB2  PRO  44           1HB      PRO  44  -1.337  -9.898  -7.916
  305    HB3  PRO  44           2HB      PRO  44  -1.015  -8.692  -9.167
  306    HG2  PRO  44           1HG      PRO  44  -3.163  -8.733  -7.082
  307    HG3  PRO  44           2HG      PRO  44  -2.151  -7.379  -7.619
  308    HD2  PRO  44           1HD      PRO  44  -4.699  -7.721  -8.470
  309    HD3  PRO  44           2HD      PRO  44  -3.442  -6.994  -9.490
  310    H    LYS  45           H        LYS  45  -3.421 -12.097 -10.765
  311    HA   LYS  45           HA       LYS  45  -4.912 -13.408  -8.846
  312    HB2  LYS  45           1HB      LYS  45  -3.666 -14.087 -11.376
  313    HB3  LYS  45           2HB      LYS  45  -3.638 -15.449 -10.264
  314    HG2  LYS  45           1HG      LYS  45  -5.849 -15.774 -10.409
  315    HG3  LYS  45           2HG      LYS  45  -6.207 -14.045 -10.404
  316    HD2  LYS  45           1HD      LYS  45  -4.875 -15.049 -12.829
  317    HD3  LYS  45           2HD      LYS  45  -6.508 -15.661 -12.557
  318    HE2  LYS  45           1HE      LYS  45  -7.442 -13.518 -12.613
  319    HE3  LYS  45           2HE      LYS  45  -5.885 -12.734 -12.355
  320    HZ1  LYS  45           3HZ      LYS  45  -5.206 -13.331 -14.555
  321    HZ2  LYS  45           1HZ      LYS  45  -6.708 -12.558 -14.657
  322    HZ3  LYS  45           2HZ      LYS  45  -6.611 -14.239 -14.808
  323    H    GLY  46           H        GLY  46  -4.393 -15.391  -7.631
  324    HA2  GLY  46           1HA      GLY  46  -3.096 -16.646  -6.193
  325    HA3  GLY  46           2HA      GLY  46  -1.669 -15.991  -6.983
  326    H    MET  47           H        MET  47  -1.864 -16.420  -4.212
  327    HA   MET  47           HA       MET  47  -2.632 -14.280  -2.647
  328    HB2  MET  47           1HB      MET  47  -1.829 -16.416  -1.739
  329    HB3  MET  47           2HB      MET  47  -0.199 -16.039  -2.279
  330    HG2  MET  47           1HG      MET  47  -0.039 -14.216  -0.743
  331    HG3  MET  47           2HG      MET  47  -1.739 -14.375  -0.305
  332    HE1  MET  47           3HE      MET  47  -1.189 -14.637   2.453
  333    HE2  MET  47           1HE      MET  47   0.327 -15.426   2.890
  334    HE3  MET  47           2HE      MET  47   0.334 -14.060   1.774
  335    H    TRP  48           H        TRP  48  -2.221 -12.224  -3.216
  336    HA   TRP  48           HA       TRP  48   0.428 -11.473  -4.169
  337    HB2  TRP  48           1HB      TRP  48  -1.576 -10.593  -5.320
  338    HB3  TRP  48           2HB      TRP  48  -2.063  -9.788  -3.830
  339    HD1  TRP  48           HD1      TRP  48   0.591  -9.592  -6.600
  340    HE1  TRP  48           HE1      TRP  48   1.624  -7.235  -6.571
  341    HE3  TRP  48           HE3      TRP  48  -1.636  -7.783  -2.369
  342    HZ2  TRP  48           HZ2      TRP  48   1.511  -4.916  -4.965
  343    HZ3  TRP  48           HZ3      TRP  48  -1.119  -5.486  -1.654
  344    HH2  TRP  48           HH2      TRP  48   0.422  -4.083  -2.927
  345    H    ILE  49           H        ILE  49   1.760  -9.969  -3.153
  346    HA   ILE  49           HA       ILE  49   1.008  -9.096  -0.461
  347    HB   ILE  49           HB       ILE  49   3.668 -10.399  -1.040
  348   HG12  ILE  49          1HG1      ILE  49   1.313 -11.512   0.501
  349   HG13  ILE  49          2HG1      ILE  49   1.794 -12.026  -1.112
  350   HG21  ILE  49          1HG2      ILE  49   4.285  -9.350   0.820
  351   HG22  ILE  49          2HG2      ILE  49   2.642  -8.787   1.122
  352   HG23  ILE  49          3HG2      ILE  49   3.149 -10.376   1.695
  353   HD11  ILE  49          3HD1      ILE  49   4.049 -12.191   0.617
  354   HD12  ILE  49          1HD1      ILE  49   2.679 -13.007   1.370
  355   HD13  ILE  49          2HD1      ILE  49   3.209 -13.480  -0.245
  356    H    CYS  50           H        CYS  50   1.483  -7.024  -0.143
  357    HA   CYS  50           HA       CYS  50   2.514  -5.339  -2.070
  358    HB2  CYS  50           1HB      CYS  50   2.564  -3.635  -0.407
  359    HB3  CYS  50           2HB      CYS  50   1.224  -4.697   0.012
  360    HA   PRO  51           HA       PRO  51   6.883  -5.768  -2.040
  361    HB2  PRO  51           1HB      PRO  51   7.660  -3.226  -2.595
  362    HB3  PRO  51           2HB      PRO  51   6.918  -4.288  -3.797
  363    HG2  PRO  51           1HG      PRO  51   5.669  -2.114  -2.162
  364    HG3  PRO  51           2HG      PRO  51   5.446  -2.490  -3.881
  365    HD2  PRO  51           1HD      PRO  51   3.662  -3.233  -1.984
  366    HD3  PRO  51           2HD      PRO  51   3.961  -4.198  -3.444
  367    H    ARG  52           H        ARG  52   5.269  -3.818   0.238
  368    HA   ARG  52           HA       ARG  52   7.621  -2.916   1.639
  369    HB2  ARG  52           1HB      ARG  52   4.790  -2.398   1.729
  370    HB3  ARG  52           2HB      ARG  52   5.383  -2.756   3.345
  371    HG2  ARG  52           1HG      ARG  52   7.054  -0.897   1.813
  372    HG3  ARG  52           2HG      ARG  52   5.432  -0.309   2.185
  373    HD2  ARG  52           1HD      ARG  52   6.531   0.368   4.069
  374    HD3  ARG  52           2HD      ARG  52   6.024  -1.241   4.582
  375    HE   ARG  52           HE       ARG  52   8.223  -1.819   4.713
  376   HH11  ARG  52          1HH1      ARG  52   7.928   0.927   2.592
  377   HH12  ARG  52          2HH1      ARG  52   9.638   1.114   2.384
  378   HH21  ARG  52          1HH2      ARG  52  10.476  -1.583   4.446
  379   HH22  ARG  52          2HH2      ARG  52  11.086  -0.314   3.438
  380    H    CYS  53           H        CYS  53   5.595  -5.703   1.649
  381    HA   CYS  53           HA       CYS  53   6.409  -6.567   4.294
  382    HB2  CYS  53           1HB      CYS  53   4.586  -7.631   2.174
  383    HB3  CYS  53           2HB      CYS  53   5.185  -8.728   3.413
  384    H    GLN  54           H        GLN  54   6.801  -7.785   0.966
  385    HA   GLN  54           HA       GLN  54   8.495  -9.901   1.485
  386    HB2  GLN  54           1HB      GLN  54   8.368  -8.049  -0.893
  387    HB3  GLN  54           2HB      GLN  54   9.376  -9.490  -0.855
  388    HG2  GLN  54           1HG      GLN  54   6.572  -9.933  -0.126
  389    HG3  GLN  54           2HG      GLN  54   6.835  -9.398  -1.785
  390   HE21  GLN  54          1HE2      GLN  54   6.619 -11.155  -2.990
  391   HE22  GLN  54          2HE2      GLN  54   7.445 -12.652  -2.743
  392    H    ASP  55           H        ASP  55   9.193  -6.486   1.406
  393    HA   ASP  55           HA       ASP  55  12.048  -6.805   1.361
  394    HB2  ASP  55           1HB      ASP  55  10.135  -4.571   1.422
  395    HB3  ASP  55           2HB      ASP  55  11.633  -4.268   2.298
  396    H    GLN  56           H        GLN  56  13.377  -5.758   3.148
  397    HA   GLN  56           HA       GLN  56  12.603  -7.004   5.655
  398    HB2  GLN  56           1HB      GLN  56  15.015  -6.717   4.353
  399    HB3  GLN  56           2HB      GLN  56  15.120  -5.511   5.629
  400    HG2  GLN  56           1HG      GLN  56  14.105  -8.071   6.566
  401    HG3  GLN  56           2HG      GLN  56  15.720  -8.176   5.867
  402   HE21  GLN  56          1HE2      GLN  56  17.385  -7.644   7.102
  403   HE22  GLN  56          2HE2      GLN  56  17.293  -6.807   8.610
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -9.668   6.072  19.706
    2    HA2  GLY   1           1HA      GLY   1  -8.436   4.362  20.839
    3    HA3  GLY   1           2HA      GLY   1  -9.866   4.019  21.801
    4    H    SER   2           H        SER   2 -10.496   2.012  21.374
    5    HA   SER   2           HA       SER   2 -11.193   0.163  20.246
    6    HB2  SER   2           1HB      SER   2 -12.342   2.242  18.921
    7    HB3  SER   2           2HB      SER   2 -11.419   1.494  17.617
    8    HG   SER   2           HG       SER   2 -13.731   0.712  18.595
    9    H    SER   3           H        SER   3  -9.486  -1.177  20.148
   10    HA   SER   3           HA       SER   3  -7.780  -1.005  17.759
   11    HB2  SER   3           1HB      SER   3  -5.829  -1.668  19.092
   12    HB3  SER   3           2HB      SER   3  -6.508  -0.155  19.691
   13    HG   SER   3           HG       SER   3  -6.504  -2.696  20.854
   14    H    GLY   4           H        GLY   4  -9.767  -2.573  17.400
   15    HA2  GLY   4           1HA      GLY   4  -8.759  -5.287  17.980
   16    HA3  GLY   4           2HA      GLY   4 -10.469  -4.901  18.115
   17    H    SER   5           H        SER   5 -11.724  -5.129  16.368
   18    HA   SER   5           HA       SER   5 -10.378  -5.600  13.788
   19    HB2  SER   5           1HB      SER   5 -12.965  -6.724  13.691
   20    HB3  SER   5           2HB      SER   5 -11.424  -7.580  13.749
   21    HG   SER   5           HG       SER   5 -13.302  -7.200  15.715
   22    H    SER   6           H        SER   6 -10.503  -3.460  13.095
   23    HA   SER   6           HA       SER   6 -13.229  -2.442  12.627
   24    HB2  SER   6           1HB      SER   6 -10.684  -1.078  13.374
   25    HB3  SER   6           2HB      SER   6 -11.808  -0.211  12.327
   26    HG   SER   6           HG       SER   6 -13.002   0.144  14.006
   27    H    GLY   7           H        GLY   7  -9.937  -2.445  11.260
   28    HA2  GLY   7           1HA      GLY   7 -10.229  -3.419   8.826
   29    HA3  GLY   7           2HA      GLY   7 -11.044  -1.877   8.614
   30    H    HIS   8           H        HIS   8  -9.130  -2.035   6.945
   31    HA   HIS   8           HA       HIS   8  -6.688  -0.940   8.155
   32    HB2  HIS   8           1HB      HIS   8  -7.045  -1.864   5.303
   33    HB3  HIS   8           2HB      HIS   8  -5.533  -1.558   6.153
   34    HD2  HIS   8           HD2      HIS   8  -6.352  -4.536   4.831
   35    HE1  HIS   8           HE1      HIS   8  -6.434  -5.704   8.909
   36    HE2  HIS   8           HE2      HIS   8  -6.220  -6.487   6.524
   37    H    GLU   9           H        GLU   9  -5.581   0.505   6.205
   38    HA   GLU   9           HA       GLU   9  -6.892   2.967   6.337
   39    HB2  GLU   9           1HB      GLU   9  -4.841   2.117   4.285
   40    HB3  GLU   9           2HB      GLU   9  -5.234   3.767   4.750
   41    HG2  GLU   9           1HG      GLU   9  -4.180   1.762   6.716
   42    HG3  GLU   9           2HG      GLU   9  -3.120   2.756   5.719
   43    H    ASP  10           H        ASP  10  -7.110   4.220   4.046
   44    HA   ASP  10           HA       ASP  10  -8.615   2.633   2.131
   45    HB2  ASP  10           1HB      ASP  10  -9.837   4.755   3.874
   46    HB3  ASP  10           2HB      ASP  10 -10.487   4.425   2.271
   47    H    PHE  11           H        PHE  11  -6.133   4.238   2.204
   48    HA   PHE  11           HA       PHE  11  -6.694   5.842  -0.164
   49    HB2  PHE  11           1HB      PHE  11  -5.080   7.008   2.105
   50    HB3  PHE  11           2HB      PHE  11  -5.626   7.820   0.641
   51    HD1  PHE  11           HD1      PHE  11  -6.611   6.573   3.936
   52    HD2  PHE  11           HD2      PHE  11  -7.885   8.622   0.429
   53    HE1  PHE  11           HE1      PHE  11  -8.629   7.337   5.119
   54    HE2  PHE  11           HE2      PHE  11  -9.904   9.390   1.607
   55    HZ   PHE  11           HZ       PHE  11 -10.278   8.748   3.955
   56    H    CYS  12           H        CYS  12  -5.054   5.853  -1.629
   57    HA   CYS  12           HA       CYS  12  -3.141   3.864  -1.619
   58    HB2  CYS  12           1HB      CYS  12  -3.874   5.099  -3.635
   59    HB3  CYS  12           2HB      CYS  12  -2.979   6.509  -3.080
   60    H    SER  13           H        SER  13  -1.042   3.678  -0.996
   61    HA   SER  13           HA       SER  13  -0.055   5.729   0.835
   62    HB2  SER  13           1HB      SER  13  -0.116   3.015   1.071
   63    HB3  SER  13           2HB      SER  13   1.528   3.264   0.482
   64    HG   SER  13           HG       SER  13   1.652   3.444   2.664
   65    H    VAL  14           H        VAL  14   0.019   6.377  -1.906
   66    HA   VAL  14           HA       VAL  14   2.874   6.843  -2.205
   67    HB   VAL  14           HB       VAL  14   1.257   5.544  -4.403
   68   HG11  VAL  14          1HG1      VAL  14   2.691   6.486  -5.813
   69   HG12  VAL  14          2HG1      VAL  14   3.603   7.199  -4.480
   70   HG13  VAL  14          3HG1      VAL  14   3.986   5.571  -5.041
   71   HG21  VAL  14          3HG2      VAL  14   2.856   3.691  -4.168
   72   HG22  VAL  14          1HG2      VAL  14   3.591   4.514  -2.792
   73   HG23  VAL  14          2HG2      VAL  14   1.923   3.948  -2.693
   74    H    CYS  15           H        CYS  15  -0.349   7.288  -3.630
   75    HA   CYS  15           HA       CYS  15   0.439  10.038  -4.343
   76    HB2  CYS  15           1HB      CYS  15  -1.227   9.956  -6.127
   77    HB3  CYS  15           2HB      CYS  15  -0.075   8.636  -6.304
   78    H    ARG  16           H        ARG  16  -1.815   8.019  -2.668
   79    HA   ARG  16           HA       ARG  16  -3.498   8.471  -1.206
   80    HB2  ARG  16           1HB      ARG  16  -1.764  10.810  -1.101
   81    HB3  ARG  16           2HB      ARG  16  -3.434  11.203  -0.718
   82    HG2  ARG  16           1HG      ARG  16  -3.464   9.572   1.051
   83    HG3  ARG  16           2HG      ARG  16  -1.845   9.022   0.615
   84    HD2  ARG  16           1HD      ARG  16  -0.988  10.541   1.987
   85    HD3  ARG  16           2HD      ARG  16  -1.688  11.811   0.984
   86    HE   ARG  16           HE       ARG  16  -3.688  10.860   2.677
   87   HH11  ARG  16          1HH1      ARG  16  -0.653  12.552   2.889
   88   HH12  ARG  16          2HH1      ARG  16  -1.085  13.413   4.328
   89   HH21  ARG  16          1HH2      ARG  16  -4.268  11.989   4.572
   90   HH22  ARG  16          2HH2      ARG  16  -3.141  13.092   5.286
   91    H    LYS  17           H        LYS  17  -5.106   8.036  -2.748
   92    HA   LYS  17           HA       LYS  17  -6.637  10.400  -3.534
   93    HB2  LYS  17           1HB      LYS  17  -5.365   8.470  -5.366
   94    HB3  LYS  17           2HB      LYS  17  -7.055   8.816  -5.709
   95    HG2  LYS  17           1HG      LYS  17  -6.620  11.116  -6.021
   96    HG3  LYS  17           2HG      LYS  17  -4.999  10.975  -5.337
   97    HD2  LYS  17           1HD      LYS  17  -4.151   9.945  -7.230
   98    HD3  LYS  17           2HD      LYS  17  -5.739   9.391  -7.764
   99    HE2  LYS  17           1HE      LYS  17  -5.526  12.295  -7.598
  100    HE3  LYS  17           2HE      LYS  17  -4.379  11.580  -8.729
  101    HZ1  LYS  17           3HZ      LYS  17  -6.051  11.515 -10.167
  102    HZ2  LYS  17           1HZ      LYS  17  -7.197  11.911  -8.987
  103    HZ3  LYS  17           2HZ      LYS  17  -6.749  10.298  -9.223
  104    H    SER  18           H        SER  18  -8.794   9.510  -4.631
  105    HA   SER  18           HA       SER  18  -9.836   7.485  -2.768
  106    HB2  SER  18           1HB      SER  18 -11.870   8.597  -2.725
  107    HB3  SER  18           2HB      SER  18 -10.753   9.948  -2.916
  108    HG   SER  18           HG       SER  18 -12.574   9.960  -4.383
  109    H    GLY  19           H        GLY  19 -10.896   5.706  -3.509
  110    HA2  GLY  19           1HA      GLY  19 -12.271   5.081  -5.670
  111    HA3  GLY  19           2HA      GLY  19 -10.665   5.182  -6.377
  112    H    GLN  20           H        GLN  20 -10.789   2.969  -6.954
  113    HA   GLN  20           HA       GLN  20 -11.077   0.969  -4.900
  114    HB2  GLN  20           1HB      GLN  20 -10.919   1.031  -7.821
  115    HB3  GLN  20           2HB      GLN  20 -10.065  -0.332  -7.109
  116    HG2  GLN  20           1HG      GLN  20 -12.042  -1.098  -6.020
  117    HG3  GLN  20           2HG      GLN  20 -12.919   0.363  -6.472
  118   HE21  GLN  20          1HE2      GLN  20 -13.899   0.469  -8.411
  119   HE22  GLN  20          2HE2      GLN  20 -13.874  -0.795  -9.589
  120    H    LEU  21           H        LEU  21  -9.512   0.045  -3.740
  121    HA   LEU  21           HA       LEU  21  -6.725   0.379  -4.621
  122    HB2  LEU  21           1HB      LEU  21  -8.007   1.232  -2.126
  123    HB3  LEU  21           2HB      LEU  21  -6.507   0.333  -1.906
  124    HG   LEU  21           HG       LEU  21  -6.492   2.593  -3.835
  125   HD11  LEU  21          1HD1      LEU  21  -6.635   4.274  -2.333
  126   HD12  LEU  21          2HD1      LEU  21  -5.975   3.304  -1.016
  127   HD13  LEU  21          3HD1      LEU  21  -7.665   3.120  -1.485
  128   HD21  LEU  21          3HD2      LEU  21  -4.272   2.459  -3.564
  129   HD22  LEU  21          1HD2      LEU  21  -4.609   0.883  -2.849
  130   HD23  LEU  21          2HD2      LEU  21  -4.397   2.294  -1.812
  131    H    LEU  22           H        LEU  22  -5.253  -1.238  -3.879
  132    HA   LEU  22           HA       LEU  22  -6.528  -3.831  -3.580
  133    HB2  LEU  22           1HB      LEU  22  -4.535  -3.182  -5.131
  134    HB3  LEU  22           2HB      LEU  22  -3.570  -3.414  -3.675
  135    HG   LEU  22           HG       LEU  22  -4.400  -5.741  -3.541
  136   HD11  LEU  22          1HD1      LEU  22  -5.418  -6.614  -5.717
  137   HD12  LEU  22          2HD1      LEU  22  -5.820  -4.931  -6.056
  138   HD13  LEU  22          3HD1      LEU  22  -6.472  -5.721  -4.620
  139   HD21  LEU  22          3HD2      LEU  22  -2.363  -4.799  -4.983
  140   HD22  LEU  22          1HD2      LEU  22  -3.306  -5.528  -6.283
  141   HD23  LEU  22          2HD2      LEU  22  -2.774  -6.513  -4.921
  142    H    MET  23           H        MET  23  -5.979  -5.335  -1.939
  143    HA   MET  23           HA       MET  23  -4.983  -4.071   0.530
  144    HB2  MET  23           1HB      MET  23  -6.948  -6.354   0.275
  145    HB3  MET  23           2HB      MET  23  -6.409  -5.617   1.777
  146    HG2  MET  23           1HG      MET  23  -7.386  -3.459   0.949
  147    HG3  MET  23           2HG      MET  23  -8.097  -4.377  -0.376
  148    HE1  MET  23           3HE      MET  23 -10.207  -2.788   2.193
  149    HE2  MET  23           1HE      MET  23  -9.585  -3.565   3.649
  150    HE3  MET  23           2HE      MET  23  -8.479  -2.744   2.548
  151    H    CYS  24           H        CYS  24  -3.606  -5.250   1.874
  152    HA   CYS  24           HA       CYS  24  -2.105  -7.337   0.495
  153    HB2  CYS  24           1HB      CYS  24  -0.866  -5.453   1.479
  154    HB3  CYS  24           2HB      CYS  24  -1.504  -5.863   3.068
  155    H    ASP  25           H        ASP  25  -1.738  -9.381   1.329
  156    HA   ASP  25           HA       ASP  25  -3.739 -10.285   3.258
  157    HB2  ASP  25           1HB      ASP  25  -2.998 -11.353   0.881
  158    HB3  ASP  25           2HB      ASP  25  -1.956 -12.262   1.972
  159    H    THR  26           H        THR  26  -1.679  -8.797   4.373
  160    HA   THR  26           HA       THR  26  -0.648 -10.683   6.284
  161    HB   THR  26           HB       THR  26   1.647  -9.150   5.492
  162    HG1  THR  26           HG1      THR  26   1.874 -10.411   3.434
  163   HG21  THR  26          3HG2      THR  26   2.748 -11.207   5.646
  164   HG22  THR  26          1HG2      THR  26   1.312 -12.118   5.181
  165   HG23  THR  26          2HG2      THR  26   1.403 -11.371   6.776
  166    H    CYS  27           H        CYS  27   0.284  -7.431   5.143
  167    HA   CYS  27           HA       CYS  27   0.127  -6.448   7.880
  168    HB2  CYS  27           1HB      CYS  27   1.243  -4.473   7.065
  169    HB3  CYS  27           2HB      CYS  27   2.070  -5.884   6.414
  170    H    SER  28           H        SER  28  -0.558  -3.841   7.584
  171    HA   SER  28           HA       SER  28  -3.327  -3.973   6.583
  172    HB2  SER  28           1HB      SER  28  -2.215  -2.613   9.039
  173    HB3  SER  28           2HB      SER  28  -3.812  -2.247   8.387
  174    HG   SER  28           HG       SER  28  -3.740  -3.894  10.070
  175    H    ARG  29           H        ARG  29  -1.685  -3.241   4.699
  176    HA   ARG  29           HA       ARG  29  -1.928  -0.309   4.583
  177    HB2  ARG  29           1HB      ARG  29   0.335  -1.940   3.417
  178    HB3  ARG  29           2HB      ARG  29   0.155  -0.194   3.319
  179    HG2  ARG  29           1HG      ARG  29   0.509  -1.751   5.872
  180    HG3  ARG  29           2HG      ARG  29   1.792  -0.898   5.011
  181    HD2  ARG  29           1HD      ARG  29   1.204   1.048   5.917
  182    HD3  ARG  29           2HD      ARG  29  -0.480   0.823   5.445
  183    HE   ARG  29           HE       ARG  29   0.041  -0.790   7.673
  184   HH11  ARG  29          1HH1      ARG  29  -0.194   2.579   6.828
  185   HH12  ARG  29          2HH1      ARG  29  -0.707   3.074   8.408
  186   HH21  ARG  29          1HH2      ARG  29  -0.634  -0.151   9.756
  187   HH22  ARG  29          2HH2      ARG  29  -0.956   1.520  10.072
  188    H    VAL  30           H        VAL  30  -2.449   0.578   2.571
  189    HA   VAL  30           HA       VAL  30  -3.461  -1.371   0.605
  190    HB   VAL  30           HB       VAL  30  -5.001   0.479  -0.125
  191   HG11  VAL  30          1HG1      VAL  30  -5.139  -0.889   2.516
  192   HG12  VAL  30          2HG1      VAL  30  -6.387   0.289   2.103
  193   HG13  VAL  30          3HG1      VAL  30  -6.125  -1.119   1.072
  194   HG21  VAL  30          3HG2      VAL  30  -4.100   1.748   2.460
  195   HG22  VAL  30          1HG2      VAL  30  -3.747   2.346   0.839
  196   HG23  VAL  30          2HG2      VAL  30  -5.410   2.319   1.426
  197    H    TYR  31           H        TYR  31  -3.074  -1.041  -1.572
  198    HA   TYR  31           HA       TYR  31  -1.486   1.266  -2.385
  199    HB2  TYR  31           1HB      TYR  31  -0.567  -1.567  -2.911
  200    HB3  TYR  31           2HB      TYR  31   0.239  -0.091  -3.432
  201    HD1  TYR  31           HD1      TYR  31   1.160   1.466  -1.645
  202    HD2  TYR  31           HD2      TYR  31  -0.107  -2.509  -0.809
  203    HE1  TYR  31           HE1      TYR  31   2.465   1.495   0.440
  204    HE2  TYR  31           HE2      TYR  31   1.193  -2.490   1.278
  205    HH   TYR  31           HH       TYR  31   2.186   0.058   2.805
  206    H    HIS  32           H        HIS  32  -1.967   1.949  -4.390
  207    HA   HIS  32           HA       HIS  32  -4.206   1.000  -5.751
  208    HB2  HIS  32           1HB      HIS  32  -2.020   2.916  -6.353
  209    HB3  HIS  32           2HB      HIS  32  -2.952   2.324  -7.725
  210    HD2  HIS  32           HD2      HIS  32  -5.873   2.367  -5.995
  211    HE1  HIS  32           HE1      HIS  32  -5.078   6.534  -5.949
  212    HE2  HIS  32           HE2      HIS  32  -6.804   4.741  -5.562
  213    H    LEU  33           H        LEU  33  -3.921   0.555  -8.289
  214    HA   LEU  33           HA       LEU  33  -2.512  -1.987  -8.413
  215    HB2  LEU  33           1HB      LEU  33  -4.623  -0.645 -10.033
  216    HB3  LEU  33           2HB      LEU  33  -3.662  -1.924 -10.773
  217    HG   LEU  33           HG       LEU  33  -5.312  -2.243  -8.267
  218   HD11  LEU  33          1HD1      LEU  33  -6.266  -1.963 -10.825
  219   HD12  LEU  33          2HD1      LEU  33  -7.089  -2.785  -9.500
  220   HD13  LEU  33          3HD1      LEU  33  -6.122  -3.711 -10.647
  221   HD21  LEU  33          3HD2      LEU  33  -3.381  -3.933  -9.696
  222   HD22  LEU  33          1HD2      LEU  33  -4.906  -4.721  -9.289
  223   HD23  LEU  33          2HD2      LEU  33  -3.923  -3.992  -8.018
  224    H    ASP  34           H        ASP  34  -2.234   1.247  -9.607
  225    HA   ASP  34           HA       ASP  34  -0.134   0.445 -11.493
  226    HB2  ASP  34           1HB      ASP  34  -1.626   1.869 -12.604
  227    HB3  ASP  34           2HB      ASP  34  -1.810   2.921 -11.203
  228    H    CYS  35           H        CYS  35  -0.671   1.996  -8.462
  229    HA   CYS  35           HA       CYS  35   1.991   3.185  -8.414
  230    HB2  CYS  35           1HB      CYS  35  -0.047   3.169  -6.186
  231    HB3  CYS  35           2HB      CYS  35   1.327   4.254  -6.382
  232    H    LEU  36           H        LEU  36   2.402   0.603  -8.679
  233    HA   LEU  36           HA       LEU  36   3.025  -0.373  -5.969
  234    HB2  LEU  36           1HB      LEU  36   2.180  -1.825  -8.448
  235    HB3  LEU  36           2HB      LEU  36   3.099  -2.651  -7.192
  236    HG   LEU  36           HG       LEU  36   0.433  -1.309  -6.754
  237   HD11  LEU  36          1HD1      LEU  36  -0.433  -3.071  -7.803
  238   HD12  LEU  36          2HD1      LEU  36   0.109  -4.025  -6.423
  239   HD13  LEU  36          3HD1      LEU  36   1.120  -3.904  -7.863
  240   HD21  LEU  36          3HD2      LEU  36   1.472  -1.375  -4.681
  241   HD22  LEU  36          1HD2      LEU  36   2.300  -2.892  -5.032
  242   HD23  LEU  36          2HD2      LEU  36   0.566  -2.889  -4.711
  243    H    ASP  37           H        ASP  37   4.821  -2.237  -6.298
  244    HA   ASP  37           HA       ASP  37   6.872  -1.415  -8.184
  245    HB2  ASP  37           1HB      ASP  37   6.888  -0.431  -5.536
  246    HB3  ASP  37           2HB      ASP  37   8.142  -1.665  -5.617
  247    HA   PRO  38           HA       PRO  38   7.372  -2.370  -9.726
  248    HB2  PRO  38           1HB      PRO  38   6.474  -4.264 -11.451
  249    HB3  PRO  38           2HB      PRO  38   8.167  -4.136 -10.961
  250    HG2  PRO  38           1HG      PRO  38   6.035  -5.976  -9.945
  251    HG3  PRO  38           2HG      PRO  38   7.728  -6.332 -10.334
  252    HD2  PRO  38           1HD      PRO  38   6.866  -5.950  -7.796
  253    HD3  PRO  38           2HD      PRO  38   8.497  -5.493  -8.330
  254    HA   PRO  39           HA       PRO  39   3.141  -1.224 -10.069
  255    HB2  PRO  39           1HB      PRO  39   2.881  -0.649 -12.710
  256    HB3  PRO  39           2HB      PRO  39   3.784   0.376 -11.587
  257    HG2  PRO  39           1HG      PRO  39   4.801  -1.675 -13.516
  258    HG3  PRO  39           2HG      PRO  39   5.440  -0.059 -13.161
  259    HD2  PRO  39           1HD      PRO  39   6.519  -2.314 -12.120
  260    HD3  PRO  39           2HD      PRO  39   6.514  -0.767 -11.248
  261    H    LEU  40           H        LEU  40   1.051  -1.796 -10.929
  262    HA   LEU  40           HA       LEU  40   0.979  -4.409 -12.283
  263    HB2  LEU  40           1HB      LEU  40  -0.236  -3.560  -9.731
  264    HB3  LEU  40           2HB      LEU  40  -1.270  -4.503 -10.804
  265    HG   LEU  40           HG       LEU  40   1.412  -5.374  -9.726
  266   HD11  LEU  40          1HD1      LEU  40   0.360  -6.288  -7.993
  267   HD12  LEU  40          2HD1      LEU  40  -0.907  -6.959  -9.019
  268   HD13  LEU  40          3HD1      LEU  40  -1.034  -5.301  -8.432
  269   HD21  LEU  40          3HD2      LEU  40   0.111  -7.591 -10.660
  270   HD22  LEU  40          1HD2      LEU  40   1.384  -6.719 -11.513
  271   HD23  LEU  40          2HD2      LEU  40  -0.309  -6.374 -11.866
  272    H    LYS  41           H        LYS  41  -1.478  -4.840 -12.904
  273    HA   LYS  41           HA       LYS  41  -2.689  -2.382 -13.942
  274    HB2  LYS  41           1HB      LYS  41  -1.259  -3.321 -15.728
  275    HB3  LYS  41           2HB      LYS  41  -2.145  -4.836 -15.623
  276    HG2  LYS  41           1HG      LYS  41  -2.997  -3.654 -17.487
  277    HG3  LYS  41           2HG      LYS  41  -4.218  -3.561 -16.216
  278    HD2  LYS  41           1HD      LYS  41  -4.201  -1.349 -16.451
  279    HD3  LYS  41           2HD      LYS  41  -2.549  -1.344 -15.829
  280    HE2  LYS  41           1HE      LYS  41  -2.198  -2.079 -18.447
  281    HE3  LYS  41           2HE      LYS  41  -3.538  -0.937 -18.549
  282    HZ1  LYS  41           3HZ      LYS  41  -2.208   0.773 -18.071
  283    HZ2  LYS  41           1HZ      LYS  41  -0.929  -0.262 -18.463
  284    HZ3  LYS  41           2HZ      LYS  41  -1.388  -0.060 -16.848
  285    H    THR  42           H        THR  42  -3.243  -5.876 -14.364
  286    HA   THR  42           HA       THR  42  -6.052  -5.474 -13.679
  287    HB   THR  42           HB       THR  42  -6.463  -7.667 -14.565
  288    HG1  THR  42           HG1      THR  42  -3.645  -7.904 -14.431
  289   HG21  THR  42          3HG2      THR  42  -5.312  -5.586 -16.065
  290   HG22  THR  42          1HG2      THR  42  -6.359  -6.879 -16.647
  291   HG23  THR  42          2HG2      THR  42  -4.607  -7.082 -16.677
  292    H    ILE  43           H        ILE  43  -6.831  -7.833 -12.650
  293    HA   ILE  43           HA       ILE  43  -5.984  -7.640  -9.936
  294    HB   ILE  43           HB       ILE  43  -7.701  -9.754 -11.243
  295   HG12  ILE  43          1HG1      ILE  43  -8.648  -7.518 -11.517
  296   HG13  ILE  43          2HG1      ILE  43  -9.593  -8.442 -10.354
  297   HG21  ILE  43          1HG2      ILE  43  -6.586  -9.625  -8.651
  298   HG22  ILE  43          2HG2      ILE  43  -8.311  -9.294  -8.497
  299   HG23  ILE  43          3HG2      ILE  43  -7.765 -10.778  -9.277
  300   HD11  ILE  43          3HD1      ILE  43  -9.359  -6.230  -9.525
  301   HD12  ILE  43          1HD1      ILE  43  -8.343  -7.280  -8.538
  302   HD13  ILE  43          2HD1      ILE  43  -7.614  -6.257  -9.776
  303    HA   PRO  44           HA       PRO  44  -2.493 -10.395 -10.475
  304    HB2  PRO  44           1HB      PRO  44  -1.580 -10.130  -7.932
  305    HB3  PRO  44           2HB      PRO  44  -1.303  -8.914  -9.184
  306    HG2  PRO  44           1HG      PRO  44  -3.358  -8.957  -7.008
  307    HG3  PRO  44           2HG      PRO  44  -2.358  -7.607  -7.576
  308    HD2  PRO  44           1HD      PRO  44  -4.944  -7.919  -8.318
  309    HD3  PRO  44           2HD      PRO  44  -3.726  -7.192  -9.385
  310    H    LYS  45           H        LYS  45  -3.872 -12.258 -10.705
  311    HA   LYS  45           HA       LYS  45  -5.243 -13.574  -8.696
  312    HB2  LYS  45           1HB      LYS  45  -4.652 -14.076 -11.345
  313    HB3  LYS  45           2HB      LYS  45  -3.850 -15.399 -10.508
  314    HG2  LYS  45           1HG      LYS  45  -6.223 -15.473  -9.270
  315    HG3  LYS  45           2HG      LYS  45  -6.724 -14.822 -10.832
  316    HD2  LYS  45           1HD      LYS  45  -6.895 -17.133 -11.112
  317    HD3  LYS  45           2HD      LYS  45  -5.338 -16.737 -11.843
  318    HE2  LYS  45           1HE      LYS  45  -5.129 -18.719 -10.468
  319    HE3  LYS  45           2HE      LYS  45  -4.214 -17.392  -9.755
  320    HZ1  LYS  45           3HZ      LYS  45  -5.767 -17.126  -8.068
  321    HZ2  LYS  45           1HZ      LYS  45  -5.666 -18.807  -8.229
  322    HZ3  LYS  45           2HZ      LYS  45  -6.978 -17.971  -8.893
  323    H    GLY  46           H        GLY  46  -4.738 -15.205  -7.231
  324    HA2  GLY  46           1HA      GLY  46  -3.324 -16.681  -6.071
  325    HA3  GLY  46           2HA      GLY  46  -1.948 -16.003  -6.930
  326    H    MET  47           H        MET  47  -1.951 -16.502  -4.172
  327    HA   MET  47           HA       MET  47  -2.629 -14.412  -2.500
  328    HB2  MET  47           1HB      MET  47  -1.756 -16.567  -1.707
  329    HB3  MET  47           2HB      MET  47  -0.167 -16.160  -2.341
  330    HG2  MET  47           1HG      MET  47   0.205 -14.540  -0.719
  331    HG3  MET  47           2HG      MET  47  -1.508 -14.404  -0.329
  332    HE1  MET  47           3HE      MET  47   0.724 -14.797   2.157
  333    HE2  MET  47           1HE      MET  47   1.431 -16.413   2.130
  334    HE3  MET  47           2HE      MET  47   1.678 -15.321   0.768
  335    H    TRP  48           H        TRP  48  -2.271 -12.340  -3.051
  336    HA   TRP  48           HA       TRP  48   0.354 -11.558  -4.076
  337    HB2  TRP  48           1HB      TRP  48  -1.682 -10.754  -5.243
  338    HB3  TRP  48           2HB      TRP  48  -2.164  -9.906  -3.776
  339    HD1  TRP  48           HD1      TRP  48   0.413  -9.752  -6.610
  340    HE1  TRP  48           HE1      TRP  48   1.439  -7.392  -6.655
  341    HE3  TRP  48           HE3      TRP  48  -1.679  -7.877  -2.339
  342    HZ2  TRP  48           HZ2      TRP  48   1.371  -5.046  -5.086
  343    HZ3  TRP  48           HZ3      TRP  48  -1.147  -5.567  -1.681
  344    HH2  TRP  48           HH2      TRP  48   0.348  -4.182  -3.027
  345    H    ILE  49           H        ILE  49   1.689 -10.090  -3.058
  346    HA   ILE  49           HA       ILE  49   0.890  -9.138  -0.401
  347    HB   ILE  49           HB       ILE  49   3.560 -10.441  -0.940
  348   HG12  ILE  49          1HG1      ILE  49   1.210 -11.498   0.646
  349   HG13  ILE  49          2HG1      ILE  49   1.695 -12.075  -0.944
  350   HG21  ILE  49          1HG2      ILE  49   2.329  -9.577   1.671
  351   HG22  ILE  49          2HG2      ILE  49   3.958 -10.199   1.410
  352   HG23  ILE  49          3HG2      ILE  49   3.502  -8.624   0.761
  353   HD11  ILE  49          3HD1      ILE  49   3.112 -13.490  -0.018
  354   HD12  ILE  49          1HD1      ILE  49   3.946 -12.167   0.796
  355   HD13  ILE  49          2HD1      ILE  49   2.576 -12.957   1.575
  356    H    CYS  50           H        CYS  50   1.380  -7.066  -0.082
  357    HA   CYS  50           HA       CYS  50   2.379  -5.395  -2.043
  358    HB2  CYS  50           1HB      CYS  50   2.447  -3.673  -0.392
  359    HB3  CYS  50           2HB      CYS  50   1.101  -4.726   0.030
  360    HA   PRO  51           HA       PRO  51   6.750  -5.797  -2.047
  361    HB2  PRO  51           1HB      PRO  51   7.506  -3.257  -2.639
  362    HB3  PRO  51           2HB      PRO  51   6.760  -4.338  -3.822
  363    HG2  PRO  51           1HG      PRO  51   5.511  -2.152  -2.202
  364    HG3  PRO  51           2HG      PRO  51   5.276  -2.550  -3.914
  365    HD2  PRO  51           1HD      PRO  51   3.514  -3.282  -1.992
  366    HD3  PRO  51           2HD      PRO  51   3.806  -4.262  -3.443
  367    H    ARG  52           H        ARG  52   5.150  -3.790   0.205
  368    HA   ARG  52           HA       ARG  52   7.499  -2.859   1.577
  369    HB2  ARG  52           1HB      ARG  52   4.647  -2.418   1.721
  370    HB3  ARG  52           2HB      ARG  52   5.311  -2.700   3.325
  371    HG2  ARG  52           1HG      ARG  52   7.064  -0.926   2.012
  372    HG3  ARG  52           2HG      ARG  52   5.422  -0.348   1.724
  373    HD2  ARG  52           1HD      ARG  52   4.968  -0.372   4.106
  374    HD3  ARG  52           2HD      ARG  52   6.567  -1.041   4.426
  375    HE   ARG  52           HE       ARG  52   6.602   1.469   3.016
  376   HH11  ARG  52          1HH1      ARG  52   6.542  -0.081   6.132
  377   HH12  ARG  52          2HH1      ARG  52   7.230   1.274   6.964
  378   HH21  ARG  52          1HH2      ARG  52   7.508   3.259   4.100
  379   HH22  ARG  52          2HH2      ARG  52   7.779   3.173   5.807
  380    H    CYS  53           H        CYS  53   5.490  -5.667   1.668
  381    HA   CYS  53           HA       CYS  53   6.383  -6.493   4.298
  382    HB2  CYS  53           1HB      CYS  53   4.519  -7.608   2.236
  383    HB3  CYS  53           2HB      CYS  53   5.146  -8.669   3.493
  384    H    GLN  54           H        GLN  54   6.719  -7.711   0.967
  385    HA   GLN  54           HA       GLN  54   8.416  -9.832   1.447
  386    HB2  GLN  54           1HB      GLN  54   8.377  -7.956  -0.921
  387    HB3  GLN  54           2HB      GLN  54   9.223  -9.497  -0.887
  388    HG2  GLN  54           1HG      GLN  54   6.359  -9.559  -0.185
  389    HG3  GLN  54           2HG      GLN  54   6.753  -9.185  -1.862
  390   HE21  GLN  54          1HE2      GLN  54   5.749 -11.166  -2.441
  391   HE22  GLN  54          2HE2      GLN  54   6.586 -12.666  -2.255
  392    H    ASP  55           H        ASP  55   9.119  -6.419   1.399
  393    HA   ASP  55           HA       ASP  55  11.931  -6.591   1.175
  394    HB2  ASP  55           1HB      ASP  55  10.975  -4.473   0.747
  395    HB3  ASP  55           2HB      ASP  55  10.074  -4.482   2.261
  396    H    GLN  56           H        GLN  56  10.129  -5.616   4.090
  397    HA   GLN  56           HA       GLN  56  12.019  -7.215   5.684
  398    HB2  GLN  56           1HB      GLN  56  11.074  -4.394   6.122
  399    HB3  GLN  56           2HB      GLN  56  11.666  -5.375   7.456
  400    HG2  GLN  56           1HG      GLN  56  13.798  -5.665   6.275
  401    HG3  GLN  56           2HG      GLN  56  13.201  -4.635   4.975
  402   HE21  GLN  56          1HE2      GLN  56  12.420  -2.450   5.718
  403   HE22  GLN  56          2HE2      GLN  56  13.382  -1.643   6.904