*HEADER    PROTEIN BINDING                         29-MAR-06   2DIF              
*TITLE     ONE SEQUENCE TWO FOLD ? : MISS FOLD OF THE ZF-B-BOX DOMAIN            
*TITLE    2 FROM HUMAN TRIPARTITE MOTIF PROTEIN 39                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRIPARTITE MOTIF PROTEIN 39;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZF-B-BOX DOMAIN;                                           
*COMPND   5 SYNONYM: RING FINGER PROTEIN 23, TESTIS-ABUNDANT FINGER              
*COMPND   6 PROTEIN;                                                             
*COMPND   7 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: TRIM39;                                                        
*SOURCE   6 EXPRESSION_SYSTEM: CELL FREE SYNTHESIS;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: P050302-55;                               
*SOURCE   9 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
*KEYWDS    ZF-B-BOX DOMIAN, ZN BINDING, ONE SEQUENCE TWO FOLD, NPPSFA,           
*KEYWDS   2 NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL                
*KEYWDS   3 ANALYSES, STRUCTURAL GENOMICS, RIKEN STRUCTURAL                      
*KEYWDS   4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, PROTEIN BINDING                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.TOMIZAWA, S.KOSHIBA, M.INOUE, T.KIGAWA, S.YOKOYAMA, RIKEN           
*AUTHOR   2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)                     
*REVDAT   1   12-MAY-09 2DIF    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.
**************************************************************

11 CYSS SG   201 ZN   ZN   2.19  5.00E+00
11 CYSS CB   201 ZN   ZN   3.25  5.00E+00
14 HIST ND1   201  ZN   ZN   1.90  5.00E+00
30 CYSS SG   201 ZN   ZN   2.19  5.00E+00
30 CYSS CB   201 ZN   ZN   3.25  5.00E+00
33 CYSS SG   201 ZN   ZN   2.19  5.00E+00
33 CYSS CB   201 ZN   ZN   3.25  5.00E+00
11 CYSS SG  14 HIST ND1   3.32  5.00E+00
11 CYSS SG  30 CYSS SG   3.56  5.00E+00
11 CYSS SG  33 CYSS SG   3.56  5.00E+00
14 HIST ND1  30 CYSS SG   3.32  5.00E+00
14 HIST ND1  33 CYSS SG   3.32  5.00E+00
30 CYSS SG  33 CYSS SG   3.56  5.00E+00

22 CYSS SG   401 ZN   ZN   2.19  5.00E+00
22 CYSS CB   401 ZN   ZN   3.25  5.00E+00
25 ASP  OD1  401 ZN   ZN   1.94  5.00E+00
37 HIST ND1   401  ZN   ZN   1.90  5.00E+00
42 HIST ND1   401  ZN   ZN   1.90  5.00E+00
22 CYSS SG  37 HIST ND1   3.32  5.00E+00
22 CYSS SG  42 HIST ND1   3.32  5.00E+00
37 HIST ND1  42 HIST ND1   3.00  5.00E+00
11 CYSS SG   201 ZN   ZN   2.39  5.00E+00
11 CYSS CB   201 ZN   ZN   3.51  5.00E+00
14 HIST ND1   201  ZN   ZN   2.10  5.00E+00
30 CYSS SG   201 ZN   ZN   2.39  5.00E+00
30 CYSS CB   201 ZN   ZN   3.51  5.00E+00
33 CYSS SG   201 ZN   ZN   2.39  5.00E+00
33 CYSS CB   201 ZN   ZN   3.51  5.00E+00
11 CYSS SG  14 HIST ND1   3.72  5.00E+00
11 CYSS SG  30 CYSS SG   3.96  5.00E+00
11 CYSS SG  33 CYSS SG   3.96  5.00E+00
14 HIST ND1  30 CYSS SG   3.72  5.00E+00
14 HIST ND1  33 CYSS SG   3.72  5.00E+00
30 CYSS SG  33 CYSS SG   3.96  5.00E+00

22 CYSS SG   401 ZN   ZN   2.39  5.00E+00
22 CYSS CB   401 ZN   ZN   3.51  5.00E+00
25 ASP OD1   401 ZN   ZN   2.14  5.00E+00
37 HIST ND1   401  ZN   ZN   2.10  5.00E+00
42 HIST ND1   401  ZN   ZN   2.10  5.00E+00
22 CYSS SG  37 HIST ND1   3.72  5.00E+00
22 CYSS SG  42 HIST ND1   3.72  5.00E+00
37 HIST ND1  42 HIST ND1   3.60  5.00E+00
  7 GLY  QA      8 GLU  HN      3.48 #SUP  0.95  #QF  0.95
  8 GLU  HN      8 GLU  QG      4.13 #SUP  1.00
  8 GLU  HA      9 SER  HN      3.44 #SUP  0.97  #QF  0.97
  8 GLU  HN      9 SER  HN      4.96 #SUP  1.00  #QF  0.98
  9 SER  HN     10 LEU  HN      5.41 #SUP  1.00  #QF  0.98
  9 SER  HA     10 LEU  HN      2.95 #SUP  0.86  #QF  0.86
  9 SER  HB2    10 LEU  HN      4.65 #SUP  1.00
  9 SER  HB3    10 LEU  HN      4.65 #SUP  1.00
 10 LEU  HN     10 LEU  HB2     3.49 #SUP  1.00
 10 LEU  HN     10 LEU  HB3     4.16 #SUP  1.00
 10 LEU  HN     10 LEU  QD1     4.50 #SUP  1.00
 10 LEU  HN     10 LEU  QD2     4.62 #SUP  1.00
 10 LEU  HN     11 CYSS HN      5.03 #SUP  1.00
 10 LEU  HN     10 LEU  HG      3.46 #SUP  0.81  #QF  0.81
 10 LEU  HA     18 LEU  HN      3.89 #SUP  0.96  #QF  0.96
 10 LEU  HB2    11 CYSS HN      4.20 #SUP  1.00
 10 LEU  HB3    11 CYSS HN      3.70 #SUP  0.99  #QF  0.99
 10 LEU  HB3    16 GLU  HN      4.48 #SUP  1.00
 10 LEU  QD2    11 CYSS HN      4.22 #SUP  0.92  #QF  0.92
 10 LEU  QD2    17 ALA  HN      3.95 #SUP  0.98  #QF  0.98
 10 LEU  HA     11 CYSS HN      2.94 #SUP  1.00  #QF  0.85
 11 CYSS HN     11 CYSS HB2     3.32 #SUP  1.00
 11 CYSS HN     11 CYSS HB3     3.32 #SUP  1.00
 11 CYSS HN     15 HIS  HA      4.38 #SUP  0.90  #QF  0.90
 11 CYSS HN     15 HIS  HN      4.88 #SUP  1.00
 11 CYSS HN     16 GLU  HN      3.72 #SUP  1.00
 11 CYSS HN     17 ALA  HA      4.92 #SUP  1.00
 11 CYSS HN     18 LEU  HN      4.77 #SUP  1.00
 11 CYSS HN     18 LEU  HG      3.97 #SUP  0.92  #QF  0.92
 11 CYSS HN     18 LEU  QD2     4.00 #SUP  1.00  #QF  0.74
 11 CYSS HN     30 CYSS HB2     5.50 #SUP  0.93  #QF  0.91
 11 CYSS HN     30 CYSS HB3     4.42 #SUP  0.98  #QF  0.98
 11 CYSS HA     13 GLN  HN      4.65 #SUP  1.00
 11 CYSS HA     15 HIS  HN      5.10 #SUP  1.00
 10 LEU  HA     16 GLU  HN      4.83 #SUP  1.00  #QF  0.89
 11 CYSS HA     16 GLU  HN      5.32 #SUP  1.00  #QF  0.89
 11 CYSS HB2    14 HIST HN      4.62 #SUP  1.00
 11 CYSS HB3    14 HIST HN      4.62 #SUP  1.00
 11 CYSS HB2    15 HIS  HN      4.34 #SUP  1.00
 11 CYSS HB3    15 HIS  HN      4.34 #SUP  1.00
 11 CYSS HB2    16 GLU  HN      3.87 #SUP  1.00
 11 CYSS HB3    16 GLU  HN      3.87 #SUP  0.99  #QF  0.99
 12 PRO  QG     13 GLN  HN      4.01 #SUP  1.00
 12 PRO  HD2    13 GLN  HN      3.67 #SUP  0.99  #QF  0.99
 13 GLN  HN     13 GLN  HB2     3.73 #SUP  1.00
 13 GLN  HN     13 GLN  HB3     3.73 #SUP  1.00
 13 GLN  HN     13 GLN  HG2     4.84 #SUP  1.00
 13 GLN  HN     14 HIST HN      3.13 #SUP  1.00
 13 GLN  HN     15 HIS  HN      4.39 #SUP  1.00
 13 GLN  HB2    14 HIST HN      3.91 #SUP  0.99  #QF  0.99
 13 GLN  HB3    14 HIST HN      3.91 #SUP  0.99  #QF  0.99
 14 HIST HN     14 HIST HB2     3.83 #SUP  1.00
 14 HIST HN     14 HIST HB3     3.83 #SUP  0.99  #QF  0.99
 14 HIST HN     15 HIS  HN      3.22 #SUP  1.00
 12 PRO  HD2    14 HIST HN      4.28 #SUP  0.66  #QF  0.66
 14 HIST HN     16 GLU  HN      4.73 #SUP  1.00
 14 HIST HB2    15 HIS  HN      4.45 #SUP  1.00  #QF  0.99
 14 HIST HB3    15 HIS  HN      4.45 #SUP  1.00
 14 HIST HB2    16 GLU  HN      3.98 #SUP  1.00
 14 HIST HB3    16 GLU  HN      3.98 #SUP  0.99  #QF  0.99
 14 HIST HE1    33 CYSS HN      4.65 #SUP  0.99  #QF  0.99
 15 HIS  HN     15 HIS  HA      2.93 #SUP  1.00
 15 HIS  HN     16 GLU  HN      3.54 #SUP  1.00
 15 HIS  HA     16 GLU  HN      3.42 #SUP  1.00
 16 GLU  HN     16 GLU  HB2     3.72 #SUP  1.00
 16 GLU  HN     16 GLU  HB3     3.83 #SUP  1.00
 16 GLU  HN     30 CYSS HB3     5.11 #SUP  1.00
 16 GLU  HA     17 ALA  HN      2.95 #SUP  0.87  #QF  0.87
 16 GLU  HB2    17 ALA  HN      4.23 #SUP  1.00
 16 GLU  HB3    17 ALA  HN      3.47 #SUP  0.94  #QF  0.94
 16 GLU  HB2    31 LEU  HN      5.19 #SUP  0.98  #QF  0.98
 16 GLU  HB3    31 LEU  HN      4.88 #SUP  0.99  #QF  0.99
 17 ALA  HN     17 ALA  QB      2.97 #SUP  0.98  #QF  0.98
 17 ALA  HN     18 LEU  HN      5.04 #SUP  1.00
 17 ALA  HA     18 LEU  HN      2.91 #SUP  0.97  #QF  0.97
 17 ALA  QB     18 LEU  HN      3.42 #SUP  0.99  #QF  0.99
 18 LEU  HN     18 LEU  HB2     3.35 #SUP  1.00
 18 LEU  HN     18 LEU  HB3     3.84 #SUP  1.00
 18 LEU  HN     18 LEU  HG      3.35 #SUP  1.00
 18 LEU  HN     19 SER  HN      4.75 #SUP  1.00
 18 LEU  HA     19 SER  HN      3.03 #SUP  0.98  #QF  0.98
 18 LEU  HA     20 LEU  HN      4.08 #SUP  0.99  #QF  0.99
 18 LEU  HA     30 CYSS HN      4.58 #SUP  1.00
 18 LEU  HA     31 LEU  HN      5.04 #SUP  1.00
 18 LEU  HB2    19 SER  HN      4.85 #SUP  1.00
 18 LEU  HB3    19 SER  HN      4.47 #SUP  1.00
 20 LEU  HN     29 VAL  QG2     4.24 #SUP  0.91  #QF  0.91
 18 LEU  QD2    30 CYSS HN      3.73 #SUP  0.99  #QF  0.99
 19 SER  HN     19 SER  HB2     3.88 #SUP  0.99  #QF  0.99
 19 SER  HN     19 SER  HB3     3.88 #SUP  1.00
 19 SER  HN     20 LEU  HN      3.08 #SUP  1.00
 19 SER  HN     20 LEU  HG      4.52 #SUP  0.99  #QF  0.99
 19 SER  HN     30 CYSS HA      3.52 #SUP  0.97  #QF  0.97
 19 SER  HN     30 CYSS HB2     4.90 #SUP  0.84  #QF  0.84
 19 SER  HN     31 LEU  HN      4.82 #SUP  1.00
 19 SER  HB2    20 LEU  HN      4.91 #SUP  1.00
 19 SER  HB3    20 LEU  HN      4.91 #SUP  1.00
 20 LEU  HN     20 LEU  HB2     3.45 #SUP  1.00
 18 LEU  HB3    20 LEU  HN      4.28 #SUP  1.00  #QF  0.35
 20 LEU  HN     21 PHE  HN      5.15 #SUP  1.00
 20 LEU  HN     29 VAL  HN      4.45 #SUP  0.99  #QF  0.99
 20 LEU  HN     30 CYSS HA      4.52 #SUP  0.99  #QF  0.99
 20 LEU  HN     20 LEU  HG      3.82 #SUP  0.85  #QF  0.85
 20 LEU  HN     20 LEU  QD1     4.55 #SUP  1.00  #QF  0.99
 20 LEU  HN     20 LEU  QD2     4.88 #SUP  1.00  #QF  0.99
 18 LEU  QD2    20 LEU  HN      4.58 #SUP  0.76  #QF  0.76
 20 LEU  HA     21 PHE  HN      3.22 #SUP  0.98  #QF  0.98
 20 LEU  HA     47 LEU  HN      3.34 #SUP  0.95  #QF  0.95
 20 LEU  HB2    21 PHE  HN      3.93 #SUP  1.00
 20 LEU  HB3    21 PHE  HN      3.46 #SUP  0.98  #QF  0.98
 20 LEU  HB2    29 VAL  HN      4.16 #SUP  0.94  #QF  0.94
 18 LEU  HB3    29 VAL  HN      4.64 #SUP  0.96  #QF  0.89
 20 LEU  QD1    34 ALA  HN      4.39 #SUP  0.92  #QF  0.92
 21 PHE  HN     21 PHE  HB2     3.82 #SUP  1.00
 21 PHE  HN     21 PHE  HB3     3.62 #SUP  0.99  #QF  0.99
 21 PHE  HN     22 CYSS HN      5.27 #SUP  1.00
 21 PHE  HN     29 VAL  QG2     4.74 #SUP  1.00
 21 PHE  HN     44 VAL  QG1     3.68 #SUP  0.99  #QF  0.88
 21 PHE  HN     45 VAL  HN      3.56 #SUP  0.98  #QF  0.98
 21 PHE  HN     45 VAL  QG2     4.24 #SUP  0.99  #QF  0.99
 21 PHE  HN     46 PRO  HA      4.47 #SUP  0.97  #QF  0.97
 21 PHE  HN     47 LEU  HN      4.87 #SUP  1.00
 21 PHE  HA     22 CYSS HN      2.98 #SUP  0.96  #QF  0.96
 21 PHE  HA     29 VAL  HN      3.86 #SUP  0.96  #QF  0.96
 21 PHE  HB2    22 CYSS HN      4.52 #SUP  1.00
 21 PHE  HB3    22 CYSS HN      4.82 #SUP  1.00
 21 PHE  HZ     26 GLN  HN      5.04 #SUP  1.00
 21 PHE  QE     27 GLU  HN      4.70 #SUP  0.94  #QF  0.94
 21 PHE  QD     22 CYSS HN      4.35 #SUP  0.99  #QF  0.99
 22 CYSS HN     22 CYSS HB3     3.37 #SUP  0.99  #QF  0.99
 22 CYSS HN     22 CYSS HB2     3.60 #SUP  1.00
 22 CYSS HN     45 VAL  HN      5.50 #SUP  1.00
 22 CYSS HN     23 TYR  HN      5.03 #SUP  1.00
 22 CYSS HN     27 GLU  HN      3.85 #SUP  0.99  #QF  0.99
 22 CYSS HN     28 ALA  HA      3.99 #SUP  0.99  #QF  0.99
 22 CYSS HN     29 VAL  HN      4.87 #SUP  1.00
 22 CYSS HN     29 VAL  QG1     4.37 #SUP  0.99  #QF  0.52
 22 CYSS HN     29 VAL  QG2     4.55 #SUP  0.99  #QF  0.52
 22 CYSS HA     23 TYR  HN      2.96 #SUP  0.93  #QF  0.93
 22 CYSS HA     24 GLU  HN      4.91 #SUP  0.99  #QF  0.99
 22 CYSS HA     25 ASP  HN      5.14 #SUP  0.99  #QF  0.99
 22 CYSS HA     45 VAL  HN      4.26 #SUP  0.92  #QF  0.92
 22 CYSS HB3    23 TYR  HN      5.16 #SUP  1.00
 22 CYSS HB2    23 TYR  HN      4.70 #SUP  1.00
 22 CYSS HB3    25 ASP  HN      4.17 #SUP  1.00
 22 CYSS HB2    25 ASP  HN      4.78 #SUP  1.00
 22 CYSS HB3    26 GLN  HN      4.78 #SUP  0.99  #QF  0.99
 22 CYSS HB3    27 GLU  HN      3.87 #SUP  0.99  #QF  0.99
 27 GLU  HN     27 GLU  HG3     4.45 #SUP  0.89  #QF  0.89
 23 TYR  HN     23 TYR  HB2     3.34 #SUP  0.99  #QF  0.99
 23 TYR  HN     23 TYR  HB3     3.51 #SUP  1.00
 23 TYR  HN     24 GLU  HN      3.77 #SUP  1.00
 23 TYR  HN     43 THR  HN      4.82 #SUP  0.99  #QF  0.99
 23 TYR  HN     43 THR  HB      4.36 #SUP  1.00
 23 TYR  HN     44 VAL  HA      4.04 #SUP  0.91  #QF  0.91
 23 TYR  HA     25 ASP  HN      4.96 #SUP  0.99  #QF  0.99
 23 TYR  HA     26 GLN  HN      4.37 #SUP  1.00
 23 TYR  HA     26 GLN  HE21    3.95 #SUP  0.95  #QF  0.95
 23 TYR  HB2    24 GLU  HN      3.68 #SUP  0.99  #QF  0.99
 23 TYR  HB3    24 GLU  HN      3.88 #SUP  1.00
 24 GLU  HN     24 GLU  HB2     3.89 #SUP  1.00
 24 GLU  HN     24 GLU  HB3     3.89 #SUP  1.00
 24 GLU  HN     24 GLU  HG2     4.76 #SUP  1.00
 24 GLU  HN     24 GLU  HG3     4.76 #SUP  1.00
 24 GLU  HN     25 ASP  HN      3.69 #SUP  1.00
 24 GLU  HN     26 GLN  HN      4.82 #SUP  0.99  #QF  0.99
 24 GLU  HN     43 THR  HN      4.39 #SUP  0.97  #QF  0.97
 24 GLU  HN     43 THR  HB      4.77 #SUP  0.99  #QF  0.99
 24 GLU  HB2    25 ASP  HN      4.33 #SUP  1.00
 24 GLU  HB3    25 ASP  HN      4.33 #SUP  0.98  #QF  0.98
 25 ASP  HN     25 ASP  HB2     3.77 #SUP  1.00
 25 ASP  HN     25 ASP  HB3     3.77 #SUP  0.99  #QF  0.99
 25 ASP  HN     26 GLN  HN      3.29 #SUP  1.00
 25 ASP  HN     26 GLN  HA      4.96 #SUP  1.00
 25 ASP  HN     27 GLU  HN      4.91 #SUP  1.00
 25 ASP  HB2    26 GLN  HN      4.62 #SUP  1.00
 25 ASP  HB3    26 GLN  HN      4.62 #SUP  1.00
 25 ASP  HB2    27 GLU  HN      5.05 #SUP  1.00
 25 ASP  HB3    27 GLU  HN      5.05 #SUP  1.00
 26 GLN  HN     26 GLN  HE21    5.29 #SUP  1.00
 26 GLN  HN     26 GLN  HE22    5.29 #SUP  1.00  #QF  0.74
 26 GLN  HN     27 GLU  HN      3.53 #SUP  0.99  #QF  0.99
 26 GLN  HA     26 GLN  HE21    4.99 #SUP  1.00
 26 GLN  HA     26 GLN  HE22    4.99 #SUP  1.00
 26 GLN  HA     27 GLU  HN      3.41 #SUP  0.98  #QF  0.98
 26 GLN  QG     26 GLN  HE21    3.63 #SUP  0.98  #QF  0.98
 26 GLN  QG     27 GLU  HN      5.50 #SUP  1.00  #QF  0.99
 27 GLU  HN     27 GLU  QB      3.67 #SUP  0.99  #QF  0.99
 27 GLU  HN     27 GLU  HG2     4.45 #SUP  1.00
 27 GLU  HN     28 ALA  HN      4.94 #SUP  1.00
 27 GLU  HA     28 ALA  HN      2.87 #SUP  0.91  #QF  0.91
 27 GLU  QB     28 ALA  HN      3.77 #SUP  0.99  #QF  0.99
 27 GLU  HG2    28 ALA  HN      4.65 #SUP  1.00
 27 GLU  HG3    28 ALA  HN      4.65 #SUP  1.00
 28 ALA  HA     29 VAL  HN      2.94 #SUP  0.96  #QF  0.96
 28 ALA  QB     29 VAL  HN      3.58 #SUP  0.98  #QF  0.98
 29 VAL  HN     29 VAL  QG2     3.21 #SUP  0.99  #QF  0.67
 29 VAL  HA     30 CYSS HN      3.15 #SUP  0.98  #QF  0.98
 29 VAL  HB     30 CYSS HN      3.36 #SUP  0.99  #QF  0.99
 29 VAL  HB     33 CYSS HN      4.63 #SUP  1.00
 29 VAL  HB     34 ALA  HN      4.22 #SUP  0.99  #QF  0.99
 29 VAL  QG1    30 CYSS HN      4.22 #SUP  1.00  #QF  0.78
 29 VAL  QG2    30 CYSS HN      4.46 #SUP  1.00  #QF  0.78
 29 VAL  QG2    34 ALA  HN      4.10 #SUP  0.99  #QF  0.99
 30 CYSS HN     30 CYSS HB2     3.97 #SUP  1.00
 30 CYSS HN     30 CYSS HB3     3.64 #SUP  1.00
 30 CYSS HN     33 CYSS HN      3.95 #SUP  0.98  #QF  0.98
 30 CYSS HN     33 CYSS HB2     3.27 #SUP  0.99  #QF  0.99
 30 CYSS HN     33 CYSS HB3     3.95 #SUP  1.00
 30 CYSS HN     34 ALA  HN      4.74 #SUP  0.99  #QF  0.99
 30 CYSS HA     31 LEU  HN      3.32 #SUP  0.98  #QF  0.98
 30 CYSS HB2    31 LEU  HN      3.41 #SUP  0.96  #QF  0.96
 30 CYSS HB3    31 LEU  HN      3.98 #SUP  0.99  #QF  0.99
 30 CYSS HB2    32 ILE  HN      4.54 #SUP  0.94  #QF  0.94
 31 LEU  HN     31 LEU  HB2     3.67 #SUP  1.00
 31 LEU  HN     31 LEU  HB3     3.67 #SUP  1.00
 31 LEU  HN     31 LEU  HG      4.44 #SUP  1.00
 31 LEU  HN     31 LEU  QD2     4.08 #SUP  1.00
 31 LEU  HA     34 ALA  HN      4.21 #SUP  0.88  #QF  0.88
 31 LEU  HB2    32 ILE  HN      4.57 #SUP  1.00
 31 LEU  HB3    32 ILE  HN      4.57 #SUP  1.00
 31 LEU  QD2    32 ILE  HN      4.38 #SUP  1.00
 32 ILE  HN     32 ILE  QG2     4.42 #SUP  1.00
 32 ILE  HN     32 ILE  HG12    3.81 #SUP  1.00
 32 ILE  HN     32 ILE  HG13    3.81 #SUP  1.00
 32 ILE  HN     32 ILE  HB      3.47 #SUP  1.00  #QF  0.99
 32 ILE  HN     32 ILE  QD1     3.81 #SUP  1.00  #QF  0.99
 31 LEU  HN     32 ILE  HN      3.36 #SUP  1.00  #QF  0.55
 32 ILE  HN     33 CYSS HN      3.17 #SUP  0.93  #QF  0.93
 32 ILE  HA     35 ILE  HN      4.28 #SUP  0.99  #QF  0.99
 32 ILE  HB     33 CYSS HN      3.47 #SUP  0.99  #QF  0.99
 32 ILE  QG2    33 CYSS HN      4.13 #SUP  1.00
 32 ILE  HG12   33 CYSS HN      5.12 #SUP  1.00
 32 ILE  HG13   33 CYSS HN      5.12 #SUP  1.00
 33 CYSS HN     33 CYSS HB2     3.34 #SUP  0.98  #QF  0.98
 33 CYSS HN     33 CYSS HB3     3.78 #SUP  1.00
 33 CYSS HA     35 ILE  HN      5.00 #SUP  0.98  #QF  0.98
 33 CYSS HA     36 SER  HN      4.86 #SUP  0.56  #QF  0.56
 33 CYSS HB2    34 ALA  HN      3.60 #SUP  0.97  #QF  0.97
 33 CYSS HB3    34 ALA  HN      4.00 #SUP  0.99  #QF  0.99
 34 ALA  HN     34 ALA  QB      3.04 #SUP  0.97  #QF  0.97
 34 ALA  HN     35 ILE  HN      3.65 #SUP  0.99  #QF  0.99
 34 ALA  HA     37 HIST HN      3.82 #SUP  0.96  #QF  0.96
 34 ALA  QB     35 ILE  HN      3.66 #SUP  0.98  #QF  0.98
 35 ILE  HN     35 ILE  HB      3.04 #SUP  0.99  #QF  0.99
 35 ILE  HN     35 ILE  QG2     4.01 #SUP  1.00
 35 ILE  HN     35 ILE  QD1     4.04 #SUP  1.00
 35 ILE  HB     36 SER  HN      3.73 #SUP  0.99  #QF  0.99
 35 ILE  QG2    36 SER  HN      4.42 #SUP  1.00
 36 SER  HN     36 SER  QB      3.44 #SUP  0.89  #QF  0.89
 36 SER  HN     37 HIST HN      3.67 #SUP  1.00
 36 SER  HN     38 THR  HN      5.23 #SUP  0.96  #QF  0.96
 36 SER  HA     39 HIS  HN      3.83 #SUP  0.88  #QF  0.88
 36 SER  QB     37 HIST HN      3.94 #SUP  0.94  #QF  0.94
 37 HIST HN     37 HIST HB2     3.35 #SUP  0.99  #QF  0.99
 37 HIST HN     37 HIST HB3     3.86 #SUP  1.00
 37 HIST HN     38 THR  HN      3.36 #SUP  1.00
 37 HIST HN     39 HIS  HN      4.85 #SUP  1.00
 37 HIST HN     40 ARG  HN      4.87 #SUP  0.96  #QF  0.96
 35 ILE  HA     39 HIS  HN      5.21 #SUP  1.00  #QF  0.74
 37 HIST HA     39 HIS  HN      5.50 #SUP  1.00  #QF  0.74
 37 HIST HA     40 ARG  HN      4.22 #SUP  1.00
 37 HIST HA     42 HIST HN      5.09 #SUP  1.00
 37 HIST HB2    38 THR  HN      3.58 #SUP  0.99  #QF  0.99
 37 HIST HB3    38 THR  HN      4.13 #SUP  1.00
 37 HIST HB2    42 HIST HN      5.18 #SUP  0.99  #QF  0.99
 37 HIST HB3    42 HIST HN      4.54 #SUP  0.99  #QF  0.99
 38 THR  HN     38 THR  HB      3.67 #SUP  0.99  #QF  0.99
 38 THR  HN     38 THR  QG2     3.62 #SUP  0.93  #QF  0.93
 38 THR  HN     39 HIS  HN      3.59 #SUP  0.99  #QF  0.99
 38 THR  HN     40 ARG  HN      4.99 #SUP  0.99  #QF  0.99
 38 THR  HN     44 VAL  QG2     4.28 #SUP  1.00
 40 ARG  HA     41 ALA  HN      3.51 #SUP  0.99  #QF  0.99
 38 THR  HA     42 HIST HN      3.53 #SUP  0.86  #QF  0.86
 38 THR  HB     39 HIS  HN      3.95 #SUP  0.92  #QF  0.92
 39 HIS  HN     39 HIS  HB2     3.49 #SUP  0.99  #QF  0.99
 39 HIS  HN     39 HIS  HB3     3.49 #SUP  0.98  #QF  0.98
 39 HIS  HN     40 ARG  HN      3.70 #SUP  1.00
 39 HIS  HN     41 ALA  HN      4.56 #SUP  0.96  #QF  0.96
 39 HIS  HA     41 ALA  HN      4.35 #SUP  0.98  #QF  0.98
 39 HIS  HB2    40 ARG  HN      4.11 #SUP  0.98  #QF  0.98
 39 HIS  HB3    40 ARG  HN      4.11 #SUP  0.99  #QF  0.99
 40 ARG  HN     40 ARG  HB2     3.82 #SUP  1.00
 40 ARG  HN     40 ARG  HB3     3.82 #SUP  1.00
 40 ARG  HN     40 ARG  QG      3.41 #SUP  0.99  #QF  0.99
 40 ARG  HN     41 ALA  HN      3.34 #SUP  1.00
 40 ARG  HN     42 HIST HN      4.26 #SUP  1.00
 40 ARG  HB2    42 HIST HN      5.08 #SUP  0.99  #QF  0.99
 40 ARG  HB3    42 HIST HN      5.08 #SUP  0.98  #QF  0.98
 41 ALA  HN     41 ALA  HA      2.86 #SUP  0.97  #QF  0.97
 41 ALA  HN     41 ALA  QB      3.63 #SUP  0.97  #QF  0.97
 41 ALA  HN     42 HIST HN      3.61 #SUP  1.00
 41 ALA  HA     42 HIST HN      3.27 #SUP  0.94  #QF  0.94
 41 ALA  QB     42 HIST HN      4.39 #SUP  0.98  #QF  0.98
 42 HIST HN     42 HIST HB2     3.29 #SUP  0.95  #QF  0.95
 42 HIST HN     43 THR  HN      4.71 #SUP  0.99  #QF  0.99
 42 HIST HA     43 THR  HN      3.24 #SUP  0.95  #QF  0.95
 42 HIST HB3    43 THR  HN      3.44 #SUP  0.89  #QF  0.89
 43 THR  HN     43 THR  HB      3.39 #SUP  0.97  #QF  0.97
 43 THR  HN     43 THR  QG2     4.60 #SUP  1.00
 43 THR  HN     44 VAL  HN      5.12 #SUP  1.00
 43 THR  HA     44 VAL  HN      2.83 #SUP  0.96  #QF  0.96
 43 THR  HB     44 VAL  HN      4.48 #SUP  1.00
 43 THR  QG2    44 VAL  HN      3.65 #SUP  1.00
 44 VAL  HN     44 VAL  HB      3.30 #SUP  0.99  #QF  0.99
 44 VAL  HN     44 VAL  QG2     3.64 #SUP  0.99  #QF  0.99
 23 TYR  HN     44 VAL  HN      5.38 #SUP  1.00  #QF  0.71
 44 VAL  HN     45 VAL  HN      4.81 #SUP  1.00
 44 VAL  HA     45 VAL  HN      2.95 #SUP  0.90  #QF  0.90
 44 VAL  HB     45 VAL  HN      4.66 #SUP  1.00
 44 VAL  QG1    45 VAL  HN      3.62 #SUP  0.98  #QF  0.98
 45 VAL  HN     45 VAL  QG2     3.19 #SUP  0.99  #QF  0.92
 44 VAL  QG2    45 VAL  HN      4.49 #SUP  0.89  #QF  0.89
 46 PRO  HA     47 LEU  HN      2.93 #SUP  0.96  #QF  0.96
 46 PRO  HB2    47 LEU  HN      4.48 #SUP  1.00
 46 PRO  HB3    47 LEU  HN      4.48 #SUP  1.00
 47 LEU  HN     47 LEU  HB3     3.61 #SUP  1.00
 47 LEU  HN     47 LEU  HB2     3.25 #SUP  0.98  #QF  0.98
 47 LEU  HB3    48 SER  HN      4.88 #SUP  0.99  #QF  0.99
 47 LEU  HB2    48 SER  HN      4.94 #SUP  0.99  #QF  0.99
 48 SER  QB     49 GLY  HN      4.95 #SUP  1.00
 23 TYR  HB3    43 THR  HN      5.50 #SUP  0.99  #QF  0.99
 47 LEU  HN     47 LEU  QD1     4.46 #SUP  0.94  #QF  0.70
 20 LEU  QD2    47 LEU  HN      4.03 #SUP  0.99  #QF  0.99
 38 THR  QG2    39 HIS  HN      4.75 #SUP  0.99  #QF  0.99
 10 LEU  HN     18 LEU  QD1     4.54 #SUP  0.91  #QF  0.91
 20 LEU  HB3    45 VAL  HN      5.18 #SUP  0.93  #QF  0.56
 43 THR  QG2    45 VAL  HN      5.50 #SUP  0.93  #QF  0.56
 21 PHE  HB3    45 VAL  HN      4.63 #SUP  0.86  #QF  0.86
 20 LEU  QD1    31 LEU  HN      4.21 #SUP  0.97  #QF  0.97
 37 HIST HN     44 VAL  QG2     4.96 #SUP  0.82  #QF  0.82
 34 ALA  QB     37 HIST HN      4.96 #SUP  0.53  #QF  0.53
 35 ILE  HB     37 HIST HN      5.23 #SUP  0.50  #QF  0.50
 35 ILE  HN     36 SER  HN      3.72 #SUP  0.88  #QF  0.88
 18 LEU  QD2    19 SER  HN      4.27 #SUP  0.99  #QF  0.99
 19 SER  HN     20 LEU  HB2     4.31 #SUP  0.79  #QF  0.79
 19 SER  HN     20 LEU  QD1     5.07 #SUP  0.99  #QF  0.99
 10 LEU  HB3    15 HIS  HN      4.59 #SUP  0.99  #QF  0.99
 10 LEU  QD2    16 GLU  HN      4.74 #SUP  0.88  #QF  0.88
 18 LEU  QD1    29 VAL  HN      4.78 #SUP  0.90  #QF  0.25
 18 LEU  QD2    29 VAL  HN      4.95 #SUP  0.90  #QF  0.25
 23 TYR  HN     44 VAL  QG2     4.64 #SUP  0.98  #QF  0.98
 23 TYR  HN     43 THR  QG2     4.76 #SUP  0.61  #QF  0.61
 23 TYR  HN     23 TYR  QD      4.49 #SUP  0.99  #QF  0.99
 28 ALA  HN     29 VAL  QG1     4.94 #SUP  0.93  #QF  0.93
 18 LEU  QD1    28 ALA  HN      4.77 #SUP  0.69  #QF  0.69
 21 PHE  QE     28 ALA  HN      4.85 #SUP  0.95  #QF  0.95
  8 GLU  HA      8 GLU  QG      3.77 #SUP  1.00
  9 SER  HB2    18 LEU  HB2     4.89 #SUP  0.98  #QF  0.98
  9 SER  HB3    18 LEU  HB2     4.89 #SUP  0.99  #QF  0.99
  9 SER  HB2    18 LEU  QD1     3.83 #SUP  0.99  #QF  0.99
  9 SER  HB3    18 LEU  QD1     3.83 #SUP  0.94  #QF  0.94
 10 LEU  HA     10 LEU  HG      3.91 #SUP  1.00
 10 LEU  HA     10 LEU  QD2     3.25 #SUP  0.99  #QF  0.99
 10 LEU  HA     10 LEU  QD1     4.42 #SUP  1.00
 10 LEU  HA     15 HIS  HA      4.97 #SUP  1.00
 11 CYSS HA     15 HIS  HA      5.41 #SUP  1.00
 10 LEU  HA     17 ALA  HA      3.58 #SUP  0.94  #QF  0.94
 10 LEU  HB2    10 LEU  QD2     4.01 #SUP  1.00
 10 LEU  HB3    10 LEU  QD2     3.68 #SUP  1.00
 10 LEU  HB2    10 LEU  QD1     3.36 #SUP  1.00
 10 LEU  HB3    10 LEU  QD1     3.68 #SUP  1.00
 10 LEU  HB2    15 HIS  HA      4.03 #SUP  1.00
 10 LEU  HB3    15 HIS  HA      3.63 #SUP  0.99  #QF  0.99
 10 LEU  HG     15 HIS  HA      5.50 #SUP  1.00
 10 LEU  HG     18 LEU  HN      4.79 #SUP  0.94  #QF  0.94
 10 LEU  QD2    17 ALA  HA      3.38 #SUP  0.98  #QF  0.98
 10 LEU  QD2    18 LEU  HN      4.22 #SUP  1.00
 10 LEU  QD1    15 HIS  HA      3.93 #SUP  1.00
 10 LEU  QD1    15 HIS  HB2     5.13 #SUP  1.00
 10 LEU  QD1    15 HIS  HB3     4.14 #SUP  0.98  #QF  0.98
 11 CYSS HA     12 PRO  QG      4.51 #SUP  1.00
 11 CYSS HA     12 PRO  HD2     3.30 #SUP  0.99  #QF  0.99
 11 CYSS HA     12 PRO  HD3     3.30 #SUP  0.99  #QF  0.99
 10 LEU  HA     18 LEU  HG      4.04 #SUP  0.97  #QF  0.82
 11 CYSS HA     18 LEU  QD1     4.52 #SUP  0.98  #QF  0.87
 10 LEU  HA     18 LEU  QD1     4.87 #SUP  0.99  #QF  0.87
 11 CYSS HA     18 LEU  QD2     3.70 #SUP  0.99  #QF  0.71
 11 CYSS HB2    15 HIS  HA      4.68 #SUP  1.00
 11 CYSS HB3    15 HIS  HA      4.68 #SUP  1.00
 11 CYSS HB2    16 GLU  HB2     5.00 #SUP  1.00  #QF  0.99
 11 CYSS HB3    16 GLU  HB2     5.00 #SUP  0.99  #QF  0.99
 11 CYSS HB2    18 LEU  QD2     3.79 #SUP  0.99  #QF  0.99
 11 CYSS HB3    18 LEU  QD2     3.79 #SUP  1.00
 11 CYSS HB2    30 CYSS HB3     4.06 #SUP  1.00
 11 CYSS HB3    30 CYSS HB3     4.06 #SUP  1.00
 12 PRO  HA     15 HIS  HA      5.50 #SUP  1.00
 12 PRO  HA     15 HIS  HN      4.96 #SUP  0.99  #QF  0.99
 12 PRO  HA     15 HIS  HD2     4.87 #SUP  0.53  #QF  0.53
 12 PRO  HD3    13 GLN  HN      4.58 #SUP  1.00
 12 PRO  HD2    18 LEU  QD2     4.00 #SUP  0.83  #QF  0.83
 12 PRO  HD3    18 LEU  QD1     4.13 #SUP  0.61  #QF  0.29
 12 PRO  HD3    18 LEU  QD2     4.63 #SUP  0.61  #QF  0.29
 13 GLN  HN     13 GLN  HG3     4.84 #SUP  1.00
 13 GLN  HA     13 GLN  HG2     4.17 #SUP  1.00
 13 GLN  HA     13 GLN  HG3     4.17 #SUP  1.00
 14 HIST HN     15 HIS  HA      4.75 #SUP  1.00
 14 HIST HB2    16 GLU  HG2     5.21 #SUP  0.98  #QF  0.57
 14 HIST HB3    16 GLU  HG2     5.21 #SUP  0.93  #QF  0.65
 14 HIST HB2    16 GLU  HG3     5.21 #SUP  1.00
 14 HIST HB3    16 GLU  HG3     5.21 #SUP  0.99  #QF  0.99
 14 HIST HB2    32 ILE  HB      5.07 #SUP  0.94  #QF  0.84
 32 ILE  HB     33 CYSS HB2     5.25 #SUP  0.94  #QF  0.84
 14 HIST HB3    32 ILE  HB      5.07 #SUP  0.85  #QF  0.64
 30 CYSS HB2    32 ILE  HB      5.40 #SUP  0.85  #QF  0.64
 30 CYSS HB2    32 ILE  QD1     4.83 #SUP  0.98  #QF  0.20
 14 HIST HE1    32 ILE  HB      4.97 #SUP  0.98  #QF  0.94
 14 HIST HE1    33 CYSS HA      3.81 #SUP  0.98  #QF  0.98
 15 HIS  HN     15 HIS  HD2     5.01 #SUP  0.99  #QF  0.99
 15 HIS  HA     15 HIS  HD2     4.86 #SUP  0.99  #QF  0.99
 15 HIS  HA     16 GLU  HA      4.73 #SUP  0.98  #QF  0.98
 15 HIS  HB2    15 HIS  HD2     3.97 #SUP  1.00
 16 GLU  HB2    30 CYSS HB2     3.91 #SUP  0.99  #QF  0.60
 16 GLU  HB3    30 CYSS HB2     3.96 #SUP  0.99  #QF  0.99
 16 GLU  HB2    30 CYSS HB3     4.28 #SUP  1.00
 16 GLU  HB3    30 CYSS HB3     4.84 #SUP  1.00
 16 GLU  HG2    32 ILE  QD1     4.37 #SUP  0.99  #QF  0.51
 16 GLU  HG3    32 ILE  QD1     4.37 #SUP  0.99  #QF  0.99
 18 LEU  HN     18 LEU  QD1     4.04 #SUP  0.99  #QF  0.99
 18 LEU  HN     18 LEU  QD2     4.43 #SUP  1.00
 18 LEU  HA     18 LEU  HG      4.07 #SUP  1.00
 12 PRO  HD2    18 LEU  QD1     4.87 #SUP  1.00  #QF  0.62
 18 LEU  HA     18 LEU  QD1     5.13 #SUP  1.00  #QF  0.62
 18 LEU  HA     18 LEU  QD2     3.33 #SUP  1.00
 18 LEU  HA     30 CYSS HA      3.70 #SUP  1.00
 18 LEU  HA     30 CYSS HB2     4.69 #SUP  1.00
 18 LEU  HA     30 CYSS HB3     4.61 #SUP  1.00
 18 LEU  HB3    18 LEU  QD1     3.84 #SUP  1.00
 18 LEU  HB2    18 LEU  QD1     3.55 #SUP  1.00  #QF  0.86
 18 LEU  HB2    18 LEU  QD2     3.97 #SUP  1.00
 18 LEU  HB3    18 LEU  QD2     3.67 #SUP  1.00
 18 LEU  HB2    28 ALA  QB      3.74 #SUP  0.88  #QF  0.88
 18 LEU  HB3    28 ALA  QB      3.55 #SUP  0.99  #QF  0.99
 18 LEU  QD1    28 ALA  QB      3.01 #SUP  0.67  #QF  0.67
 18 LEU  QD2    29 VAL  HA      3.64 #SUP  0.78  #QF  0.78
 18 LEU  QD2    30 CYSS HA      4.47 #SUP  1.00
 18 LEU  QD2    30 CYSS HB2     4.47 #SUP  1.00  #QF  0.81
 18 LEU  QD2    30 CYSS HB3     3.97 #SUP  1.00
 20 LEU  HA     46 PRO  HA      3.66 #SUP  0.99  #QF  0.99
 19 SER  HA     47 LEU  HB3     5.38 #SUP  0.51  #QF  0.51
 19 SER  HA     47 LEU  HB2     4.71 #SUP  1.00  #QF  0.74
 46 PRO  HA     47 LEU  HB2     5.42 #SUP  1.00  #QF  0.74
 19 SER  HB2    20 LEU  HG      4.72 #SUP  0.98  #QF  0.98
 19 SER  HB3    20 LEU  HG      4.72 #SUP  0.84  #QF  0.84
 20 LEU  HA     20 LEU  HG      4.02 #SUP  1.00
 20 LEU  HA     20 LEU  QD1     4.89 #SUP  1.00
 20 LEU  HA     20 LEU  QD2     3.28 #SUP  0.98  #QF  0.98
 20 LEU  HA     47 LEU  HA      5.50 #SUP  1.00
 20 LEU  HA     47 LEU  HB2     4.81 #SUP  0.98  #QF  0.98
 20 LEU  HB3    20 LEU  QD1     3.98 #SUP  1.00
 20 LEU  HB2    29 VAL  QG2     3.26 #SUP  0.99  #QF  0.96
 20 LEU  HB3    29 VAL  QG2     3.88 #SUP  1.00
 20 LEU  HB2    20 LEU  QD1     3.27 #SUP  0.99  #QF  0.81
 20 LEU  HB3    44 VAL  QG1     3.37 #SUP  1.00  #QF  0.79
 20 LEU  HB3    20 LEU  QD2     3.40 #SUP  0.89  #QF  0.59
 20 LEU  HG     46 PRO  HA      4.58 #SUP  1.00
 20 LEU  QD1    31 LEU  HA      3.29 #SUP  0.96  #QF  0.96
 20 LEU  QD1    34 ALA  QB      3.09 #SUP  0.92  #QF  0.74
 20 LEU  QD2    46 PRO  HA      3.15 #SUP  0.99  #QF  0.99
 20 LEU  QD2    46 PRO  HB2     3.95 #SUP  1.00
 21 PHE  HA     21 PHE  QD      4.08 #SUP  1.00
 21 PHE  HA     22 CYSS HB3     4.97 #SUP  0.99  #QF  0.99
 21 PHE  HA     22 CYSS HB2     5.09 #SUP  1.00
 21 PHE  HA     28 ALA  HA      3.46 #SUP  0.98  #QF  0.98
 21 PHE  HA     28 ALA  QB      4.77 #SUP  1.00
 21 PHE  HA     29 VAL  QG2     4.50 #SUP  0.99  #QF  0.99
 21 PHE  HB2    28 ALA  HA      4.66 #SUP  1.00
 21 PHE  HB2    28 ALA  QB      5.00 #SUP  1.00
 21 PHE  HB3    28 ALA  QB      5.17 #SUP  1.00
 21 PHE  HB3    45 VAL  QG2     3.66 #SUP  1.00
 21 PHE  HB2    45 VAL  QG2     4.54 #SUP  1.00
 21 PHE  HB2    47 LEU  HA      5.14 #SUP  1.00
 21 PHE  HB3    47 LEU  HA      5.00 #SUP  1.00
 21 PHE  HB2    47 LEU  HB2     4.94 #SUP  1.00
 21 PHE  HB3    47 LEU  HB2     5.46 #SUP  1.00
 21 PHE  HB3    47 LEU  QD1     4.07 #SUP  1.00
 21 PHE  HB2    47 LEU  QD1     3.85 #SUP  1.00
 21 PHE  HB2    47 LEU  QD2     3.87 #SUP  0.99  #QF  0.99
 21 PHE  HB3    47 LEU  QD2     4.45 #SUP  1.00
 21 PHE  QD     21 PHE  HZ      3.88 #SUP  1.00
 21 PHE  HZ     23 TYR  HA      4.89 #SUP  1.00
 21 PHE  HZ     26 GLN  HA      3.60 #SUP  0.99  #QF  0.99
 21 PHE  HZ     26 GLN  HB3     5.00 #SUP  1.00
 21 PHE  HZ     26 GLN  HB2     5.00 #SUP  1.00
 21 PHE  HZ     26 GLN  QG      4.67 #SUP  1.00
 21 PHE  QE     23 TYR  HA      3.54 #SUP  0.95  #QF  0.95
 21 PHE  QE     26 GLN  HA      4.17 #SUP  1.00
 21 PHE  QE     26 GLN  QG      5.32 #SUP  0.83  #QF  0.25
 21 PHE  QE     27 GLU  HA      4.63 #SUP  0.97  #QF  0.97
 21 PHE  QD     23 TYR  HA      4.12 #SUP  1.00
 21 PHE  QD     26 GLN  HA      4.87 #SUP  0.99  #QF  0.99
 21 PHE  QD     27 GLU  HA      4.90 #SUP  0.97  #QF  0.97
 21 PHE  QD     28 ALA  HA      3.80 #SUP  1.00
 21 PHE  QD     45 VAL  QG2     3.97 #SUP  1.00
 22 CYSS HA     23 TYR  HB2     4.84 #SUP  0.99  #QF  0.99
 22 CYSS HA     23 TYR  HB3     5.50 #SUP  0.95  #QF  0.95
 22 CYSS HA     44 VAL  HA      3.86 #SUP  0.94  #QF  0.94
 22 CYSS HA     44 VAL  QG1     4.08 #SUP  0.92  #QF  0.92
 22 CYSS HA     44 VAL  QG2     3.80 #SUP  0.97  #QF  0.97
 22 CYSS HB3    25 ASP  HB2     4.41 #SUP  0.99  #QF  0.99
 22 CYSS HB2    37 HIST HB3     4.73 #SUP  0.72  #QF  0.72
 25 ASP  HB2    27 GLU  HG3     5.12 #SUP  0.89  #QF  0.89
 22 CYSS HB3    25 ASP  HB3     4.41 #SUP  0.96  #QF  0.96
 22 CYSS HB2    27 GLU  HN      4.96 #SUP  1.00
 22 CYSS HB3    29 VAL  QG1     4.41 #SUP  0.98  #QF  0.97
 22 CYSS HB3    29 VAL  QG2     5.03 #SUP  0.98  #QF  0.97
 22 CYSS HB2    29 VAL  QG1     4.31 #SUP  0.87  #QF  0.82
 22 CYSS HB2    29 VAL  QG2     4.58 #SUP  0.87  #QF  0.82
 29 VAL  QG1    37 HIST HE1     4.61 #SUP  0.60  #QF  0.50
 23 TYR  HA     23 TYR  QE      5.42 #SUP  1.00  #QF  0.65
 23 TYR  HA     23 TYR  QD      3.44 #SUP  0.97  #QF  0.95
 23 TYR  HA     26 GLN  HA      4.41 #SUP  1.00
 23 TYR  HA     26 GLN  HE22    3.95 #SUP  0.98  #QF  0.98
 23 TYR  HB2    43 THR  HB      3.87 #SUP  1.00
 23 TYR  HB3    43 THR  HB      3.97 #SUP  1.00
 23 TYR  HB2    43 THR  QG2     4.28 #SUP  1.00
 23 TYR  HB3    43 THR  QG2     4.22 #SUP  1.00
 23 TYR  HB2    45 VAL  QG1     4.82 #SUP  0.70  #QF  0.70
 24 GLU  HA     24 GLU  HG3     3.68 #SUP  1.00
 24 GLU  HA     24 GLU  HG2     3.68 #SUP  1.00
 25 ASP  HB2    27 GLU  QB      4.18 #SUP  1.00
 25 ASP  HB3    27 GLU  QB      4.18 #SUP  1.00
 25 ASP  HB2    27 GLU  HG2     5.12 #SUP  1.00
 25 ASP  HB3    27 GLU  HG2     5.12 #SUP  1.00
 25 ASP  HB3    27 GLU  HG3     5.12 #SUP  1.00
 25 ASP  HB2    37 HIST HE1     4.49 #SUP  0.93  #QF  0.93
 25 ASP  HB3    37 HIST HE1     4.49 #SUP  0.96  #QF  0.96
 26 GLN  HN     26 GLN  QG      4.39 #SUP  0.90  #QF  0.90
 26 GLN  HA     26 GLN  QG      3.58 #SUP  1.00
 26 GLN  QG     26 GLN  HE22    3.63 #SUP  0.98  #QF  0.98
 28 ALA  HN     28 ALA  QB      3.00 #SUP  0.99  #QF  0.99
 28 ALA  HA     29 VAL  HA      4.51 #SUP  0.99  #QF  0.99
 47 LEU  HB3    47 LEU  QD2     3.64 #SUP  1.00  #QF  0.60
 29 VAL  HN     29 VAL  QG1     4.20 #SUP  0.99  #QF  0.99
 29 VAL  HA     29 VAL  QG1     3.43 #SUP  0.97  #QF  0.97
 29 VAL  HA     33 CYSS HB2     4.41 #SUP  1.00
 29 VAL  HA     33 CYSS HB3     4.68 #SUP  1.00
 29 VAL  HB     33 CYSS HA      5.06 #SUP  1.00
 29 VAL  HB     33 CYSS HB2     3.50 #SUP  1.00
 29 VAL  HB     33 CYSS HB3     3.52 #SUP  1.00
 29 VAL  QG1    33 CYSS HB2     4.44 #SUP  1.00
 29 VAL  QG1    33 CYSS HB3     4.07 #SUP  1.00
 29 VAL  QG2    33 CYSS HB2     4.72 #SUP  1.00
 29 VAL  QG2    33 CYSS HB3     4.52 #SUP  1.00  #QF  0.81
 29 VAL  QG2    34 ALA  HA      3.69 #SUP  0.99  #QF  0.99
 20 LEU  QD1    29 VAL  QG2     3.92 #SUP  1.00  #QF  0.64
 29 VAL  QG2    44 VAL  QG1     3.43 #SUP  0.93  #QF  0.93
 31 LEU  HA     34 ALA  QB      3.50 #SUP  0.97  #QF  0.97
 31 LEU  HB3    31 LEU  QD1     3.77 #SUP  1.00
 31 LEU  HB2    31 LEU  QD1     3.77 #SUP  1.00
 31 LEU  HB2    31 LEU  QD2     4.01 #SUP  1.00
 31 LEU  HB3    31 LEU  QD2     4.01 #SUP  1.00
 32 ILE  HA     32 ILE  QG2     3.47 #SUP  1.00
 32 ILE  HA     32 ILE  HG12    4.16 #SUP  1.00
 32 ILE  HA     32 ILE  HG13    4.16 #SUP  1.00
 32 ILE  HA     32 ILE  QD1     4.10 #SUP  1.00
 32 ILE  HA     35 ILE  HB      4.50 #SUP  0.99  #QF  0.99
 32 ILE  HA     35 ILE  HG13    4.64 #SUP  0.99  #QF  0.99
 32 ILE  HA     35 ILE  HG12    4.64 #SUP  1.00
 32 ILE  HA     35 ILE  QD1     3.79 #SUP  1.00
 32 ILE  QG2    35 ILE  QD1     4.46 #SUP  0.85  #QF  0.85
 32 ILE  QG2    32 ILE  HG12    3.82 #SUP  1.00
 32 ILE  QG2    32 ILE  HG13    3.82 #SUP  1.00
 32 ILE  QG2    32 ILE  QD1     3.39 #SUP  0.98  #QF  0.98
 32 ILE  QG2    33 CYSS HA      4.55 #SUP  0.99  #QF  0.99
 32 ILE  QG2    35 ILE  HB      5.09 #SUP  0.93  #QF  0.93
 37 HIST HB3    42 HIST HB3     4.05 #SUP  1.00
 34 ALA  HA     37 HIST HB2     3.95 #SUP  1.00
 33 CYSS HB3    34 ALA  HA      4.52 #SUP  1.00  #QF  0.97
 34 ALA  HA     37 HIST HB3     4.86 #SUP  1.00  #QF  0.97
 34 ALA  HA     38 THR  HN      5.06 #SUP  0.99  #QF  0.99
 20 LEU  QD1    34 ALA  HA      4.83 #SUP  1.00  #QF  0.60
 34 ALA  HA     44 VAL  QG1     4.25 #SUP  0.99  #QF  0.99
 34 ALA  HA     44 VAL  QG2     4.33 #SUP  1.00
 34 ALA  QB     35 ILE  HA      3.79 #SUP  0.75  #QF  0.75
 34 ALA  QB     44 VAL  HB      4.43 #SUP  0.97  #QF  0.97
 38 THR  QG2    44 VAL  HB      4.37 #SUP  0.76  #QF  0.76
 34 ALA  QB     44 VAL  QG1     2.96 #SUP  0.67  #QF  0.67
 35 ILE  HA     35 ILE  QG2     3.47 #SUP  1.00
 35 ILE  HA     35 ILE  HG12    3.95 #SUP  1.00
 35 ILE  HA     35 ILE  HG13    3.95 #SUP  1.00
 35 ILE  HA     35 ILE  QD1     4.16 #SUP  1.00
 35 ILE  HA     38 THR  HN      4.80 #SUP  0.89  #QF  0.89
 35 ILE  HB     35 ILE  QD1     3.37 #SUP  1.00
 35 ILE  QG2    35 ILE  HG12    4.06 #SUP  1.00
 35 ILE  QG2    35 ILE  HG13    4.06 #SUP  1.00
 35 ILE  QG2    35 ILE  QD1     3.06 #SUP  0.99  #QF  0.99
 35 ILE  QG2    36 SER  HA      4.65 #SUP  1.00
 36 SER  HA     39 HIS  HB2     4.01 #SUP  0.99  #QF  0.99
 36 SER  HA     39 HIS  HB3     4.01 #SUP  0.98  #QF  0.98
 37 HIST HA     40 ARG  HB2     4.68 #SUP  1.00
 37 HIST HA     40 ARG  HB3     4.68 #SUP  0.98  #QF  0.98
 37 HIST HA     40 ARG  QG      4.50 #SUP  0.98  #QF  0.98
 37 HIST HA     42 HIST HB3     4.40 #SUP  0.98  #QF  0.98
 37 HIST HB3    42 HIST HB2     3.74 #SUP  1.00
 37 HIST HB2    42 HIST HB2     4.47 #SUP  1.00
 37 HIST HB2    44 VAL  QG2     3.74 #SUP  0.98  #QF  0.98
 37 HIST HB3    44 VAL  QG2     3.77 #SUP  1.00
 38 THR  HA     38 THR  QG2     3.41 #SUP  0.99  #QF  0.99
 38 THR  HA     40 ARG  HN      5.01 #SUP  1.00
 38 THR  HA     41 ALA  HN      4.70 #SUP  0.97  #QF  0.97
 38 THR  HA     44 VAL  QG2     4.68 #SUP  0.97  #QF  0.97
 43 THR  HA     44 VAL  QG2     5.01 #SUP  1.00  #QF  0.98
 38 THR  QG2    44 VAL  QG2     3.80 #SUP  0.99  #QF  0.99
 39 HIS  HA     39 HIS  HD2     4.62 #SUP  1.00
 40 ARG  HA     40 ARG  QG      3.36 #SUP  1.00
 40 ARG  HA     41 ALA  QB      4.07 #SUP  0.74  #QF  0.74
 40 ARG  HB2    40 ARG  QD      4.20 #SUP  1.00
 40 ARG  HB3    40 ARG  QD      4.20 #SUP  1.00
 42 HIST HB2    43 THR  HN      4.56 #SUP  1.00
 42 HIST HB3    44 VAL  QG2     4.49 #SUP  0.98  #QF  0.98
 42 HIST HB2    44 VAL  QG2     4.29 #SUP  0.99  #QF  0.99
 43 THR  HA     43 THR  QG2     3.40 #SUP  1.00
 43 THR  HA     44 VAL  HB      4.71 #SUP  0.98  #QF  0.98
 38 THR  HA     44 VAL  HB      5.50 #SUP  1.00  #QF  0.38
 43 THR  QG2    45 VAL  QG1     3.45 #SUP  0.91  #QF  0.91
 44 VAL  HN     44 VAL  QG1     4.09 #SUP  1.00
 44 VAL  HA     44 VAL  QG1     3.60 #SUP  1.00
 44 VAL  HA     44 VAL  QG2     3.62 #SUP  1.00
 20 LEU  QD2    46 PRO  HB3     3.95 #SUP  1.00
 45 VAL  HN     45 VAL  QG1     4.13 #SUP  0.99  #QF  0.99
 45 VAL  HA     45 VAL  QG1     3.43 #SUP  0.99  #QF  0.99
 45 VAL  HA     45 VAL  QG2     4.14 #SUP  1.00
 45 VAL  HA     46 PRO  HG2     4.68 #SUP  1.00
 45 VAL  HA     46 PRO  HG3     4.68 #SUP  1.00
 45 VAL  HA     46 PRO  HD2     3.18 #SUP  0.99  #QF  0.99
 45 VAL  HA     46 PRO  HD3     2.92 #SUP  0.98  #QF  0.98
 45 VAL  HB     46 PRO  HD2     3.02 #SUP  1.00
 45 VAL  HB     46 PRO  HD3     3.96 #SUP  1.00
 45 VAL  QG1    46 PRO  HD2     3.61 #SUP  0.99  #QF  0.99
 45 VAL  QG1    46 PRO  HD3     4.26 #SUP  1.00
 46 PRO  HB2    49 GLY  HN      4.66 #SUP  0.72  #QF  0.72
 46 PRO  HB3    49 GLY  HN      4.66 #SUP  0.94  #QF  0.94
 47 LEU  HA     47 LEU  HG      3.57 #SUP  1.00
 47 LEU  HA     47 LEU  QD1     3.47 #SUP  1.00
 47 LEU  HA     47 LEU  QD2     3.91 #SUP  1.00
 47 LEU  HA     49 GLY  HN      3.91 #SUP  0.90  #QF  0.90
 47 LEU  HB2    47 LEU  QD1     3.68 #SUP  1.00
 47 LEU  HB3    47 LEU  QD1     3.21 #SUP  0.99  #QF  0.99
 47 LEU  HB2    47 LEU  QD2     3.59 #SUP  1.00
 47 LEU  HB3    49 GLY  HN      4.82 #SUP  0.96  #QF  0.96
 49 GLY  HA1    50 PRO  QD      3.30 #SUP  0.99  #QF  0.99
 49 GLY  HA2    50 PRO  QD      3.30 #SUP  0.98  #QF  0.98
 14 HIST HD2    32 ILE  QG2     4.28 #SUP  0.59  #QF  0.59
 23 TYR  QD     43 THR  HB      4.69 #SUP  0.95  #QF  0.95
 23 TYR  QD     44 VAL  HN      4.64 #SUP  0.76  #QF  0.76
 21 PHE  QE     47 LEU  QD1     5.09 #SUP  0.98  #QF  0.98
 21 PHE  QE     45 VAL  QG2     4.87 #SUP  0.97  #QF  0.97
 21 PHE  QE     28 ALA  QB      4.63 #SUP  0.98  #QF  0.98
 21 PHE  QD     47 LEU  QD1     3.88 #SUP  0.94  #QF  0.94
 21 PHE  QD     28 ALA  HN      4.58 #SUP  0.89  #QF  0.89
 20 LEU  QD1    31 LEU  HB2     4.79 #SUP  0.98  #QF  0.98
 20 LEU  QD1    31 LEU  HB3     4.79 #SUP  0.92  #QF  0.92
 14 HIST HD2    32 ILE  QD1     4.89 #SUP  0.81  #QF  0.81
 35 ILE  HA     38 THR  HB      4.98 #SUP  0.68  #QF  0.68
 27 GLU  QB     29 VAL  QG1     4.41 #SUP  0.89  #QF  0.89
 23 TYR  HA     26 GLN  QG      5.50 #SUP  0.97  #QF  0.39
 23 TYR  QE     45 VAL  QG1     3.76 #SUP  0.65  #QF  0.44
 23 TYR  QE     45 VAL  QG2     4.03 #SUP  0.65  #QF  0.44
 23 TYR  QE     43 THR  QG2     4.30 #SUP  0.98  #QF  0.98
 23 TYR  QE     45 VAL  HB      4.47 #SUP  0.63  #QF  0.63
 31 LEU  HA     31 LEU  QD1     4.27 #SUP  0.93  #QF  0.86
 31 LEU  HA     31 LEU  QD2     4.67 #SUP  0.93  #QF  0.86
 22 CYSS HB2    44 VAL  QG2     4.01 #SUP  0.93  #QF  0.93
 22 CYSS HB3    44 VAL  QG2     4.78 #SUP  0.99  #QF  0.99
 22 CYSS HB3    27 GLU  QB      5.06 #SUP  0.99  #QF  0.99
  9 SER  HA     18 LEU  QD1     4.47 #SUP  0.94  #QF  0.94
  9 SER  HA     10 LEU  HG      4.75 #SUP  0.81  #QF  0.75
 47 LEU  HB3    48 SER  HA      5.21 #SUP  0.81  #QF  0.75
 20 LEU  QD2    46 PRO  HG3     4.50 #SUP  0.99  #QF  0.99
 20 LEU  QD2    46 PRO  HG2     4.50 #SUP  0.90  #QF  0.90
 45 VAL  QG1    46 PRO  HG2     5.50 #SUP  0.96  #QF  0.84
 45 VAL  QG2    46 PRO  HG2     5.50 #SUP  0.96  #QF  0.84
 45 VAL  QG1    46 PRO  HG3     5.50 #SUP  1.00
 45 VAL  QG2    46 PRO  HG3     5.50 #SUP  1.00
 46 PRO  HA     47 LEU  QD1     4.18 #SUP  0.60  #QF  0.60
 47 LEU  QD1    49 GLY  HN      5.31 #SUP  0.91  #QF  0.91
 21 PHE  QD     47 LEU  QD2     4.56 #SUP  0.87  #QF  0.87
 18 LEU  QD1    28 ALA  HA      4.88 #SUP  0.85  #QF  0.49
 28 ALA  HA     47 LEU  QD1     5.13 #SUP  0.85  #QF  0.49
 28 ALA  HA     29 VAL  QG1     4.58 #SUP  0.99  #QF  0.72
 29 VAL  QG1    37 HIST HD2     4.66 #SUP  0.67  #QF  0.67
 20 LEU  QD2    46 PRO  HD2     4.54 #SUP  0.98  #QF  0.98
 20 LEU  QD2    46 PRO  HD3     4.15 #SUP  0.99  #QF  0.99
 23 TYR  QD     43 THR  QG2     3.93 #SUP  0.87  #QF  0.87
 14 HIST HE1    32 ILE  QG2     4.35 #SUP  0.99  #QF  0.99
 27 GLU  HA     28 ALA  QB      4.18 #SUP  0.71  #QF  0.71
 21 PHE  QD     28 ALA  QB      3.90 #SUP  1.00
 29 VAL  QG2    34 ALA  QB      3.58 #SUP  0.94  #QF  0.94
 28 ALA  HA     29 VAL  QG2     4.48 #SUP  0.98  #QF  0.98
 29 VAL  QG2    37 HIST HD2     4.84 #SUP  0.65  #QF  0.65
  8 GLU  HN      8 GLU  QB      3.50 
  9 SER  HN      9 SER  QB      3.71 
  9 SER  QB     10 LEU  HN      3.95 
  9 SER  QB     10 LEU  HG      5.34 
  9 SER  QB     18 LEU  HG      4.39 
 11 CYSS HN     14 HIST QB      4.88 
 11 CYSS QB     12 PRO  HD2     4.19 
 11 CYSS QB     12 PRO  HD3     4.72 
 11 CYSS QB     13 GLN  HN      4.76 
 11 CYSS QB     14 HIST HN      3.79 
 11 CYSS QB     14 HIST QB      3.29 
 11 CYSS QB     15 HIS  HN      3.60 
 11 CYSS QB     15 HIS  HA      3.98 
 11 CYSS QB     16 GLU  HN      3.02 
 11 CYSS QB     16 GLU  HB2     4.38 
 11 CYSS QB     18 LEU  QD2     3.29 
 11 CYSS QB     30 CYSS HB3     3.31 
 12 PRO  QB     13 GLN  HN      4.01 
 13 GLN  HN     13 GLN  QB      3.14 
 13 GLN  HN     13 GLN  QG      4.23 
 13 GLN  HA     13 GLN  QG      3.61 
 13 GLN  QB     14 HIST HN      3.41 
 14 HIST HN     14 HIST QB      3.27 
 14 HIST QB     15 HIS  HN      3.83 
 14 HIST QB     16 GLU  HN      3.46 
 14 HIST QB     16 GLU  HB2     4.85 
 14 HIST QB     16 GLU  QG      3.65 
 14 HIST QB     32 ILE  HB      4.37 
 14 HIST QB     32 ILE  QD1     3.81 
 16 GLU  HN     16 GLU  QG      3.76 
 16 GLU  HA     16 GLU  QG      3.69 
 16 GLU  QG     17 ALA  HN      4.74 
 16 GLU  QG     30 CYSS HB2     5.33 
 16 GLU  QG     32 ILE  QD1     3.75 
 19 SER  HN     19 SER  QB      3.20 
 19 SER  QB     20 LEU  HN      4.10 
 19 SER  QB     20 LEU  HB2     5.09 
 19 SER  QB     20 LEU  HG      4.08 
 19 SER  QB     20 LEU  QD1     4.99 
 19 SER  QB     20 LEU  QD2     5.24 
 20 LEU  QD1    31 LEU  QB      4.04 
 20 LEU  QD2    46 PRO  QB      3.40 
 20 LEU  QD2    46 PRO  QG      3.86 
 21 PHE  QE     26 GLN  QB      5.02 
 21 PHE  HZ     26 GLN  QB      4.31 
 22 CYSS HB2    25 ASP  QB      4.74 
 22 CYSS HB3    25 ASP  QB      3.63 
 23 TYR  HA     26 GLN  QB      5.34 
 23 TYR  QE     26 GLN  QE2     4.36 
 24 GLU  HN     24 GLU  QB      3.21 
 24 GLU  HN     24 GLU  QG      4.18 
 24 GLU  HA     24 GLU  QG      2.97 
 24 GLU  QB     25 ASP  HN      3.59 
 25 ASP  HN     25 ASP  QB      3.15 
 25 ASP  QB     26 GLN  HN      3.96 
 25 ASP  QB     27 GLU  HN      4.21 
 25 ASP  QB     27 GLU  QB      3.62 
 25 ASP  QB     27 GLU  QG      3.72 
 26 GLN  HN     26 GLN  QE2     4.66 
 26 GLN  HA     26 GLN  QE2     4.24 
 26 GLN  QB     26 GLN  QE2     4.37 
 27 GLU  QG     28 ALA  HN      4.09 
 27 GLU  QG     29 VAL  QG1     3.56 
 31 LEU  HN     31 LEU  QB      3.17 
 31 LEU  HN     32 ILE  QG1     5.34 
 31 LEU  QB     31 LEU  QD1     3.23 
 31 LEU  QB     31 LEU  QD2     3.29 
 31 LEU  QB     32 ILE  HN      3.99 
 32 ILE  HA     32 ILE  QG1     3.60 
 32 ILE  HA     35 ILE  QG1     3.84 
 32 ILE  QG1    33 CYSS HN      4.35 
 34 ALA  HN     35 ILE  QG1     4.64 
 35 ILE  HN     35 ILE  QG1     2.78 
 35 ILE  HA     35 ILE  QG1     3.40 
 35 ILE  QG2    35 ILE  QG1     3.41 
 35 ILE  QG1    36 SER  HN      4.17 
 37 HIST HA     40 ARG  QB      3.88 
 39 HIS  HN     39 HIS  QB      3.06 
 39 HIS  QB     40 ARG  HN      3.58 
 40 ARG  HN     40 ARG  QB      3.15 
 40 ARG  QB     42 HIST HN      4.39 
 45 VAL  HA     46 PRO  QG      4.05 
 46 PRO  QB     47 LEU  HN      3.80 
 46 PRO  QB     49 GLY  HN      3.87 
 49 GLY  QA     50 PRO  QG      4.98 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -9.259 -31.864  14.660
    2    HA2  GLY   1           1HA      GLY   1  -9.807 -30.417  12.238
    3    HA3  GLY   1           2HA      GLY   1 -11.165 -30.411  13.354
    4    H    SER   2           H        SER   2  -9.345 -28.248  12.379
    5    HA   SER   2           HA       SER   2  -9.130 -26.823  14.816
    6    HB2  SER   2           1HB      SER   2  -6.688 -28.178  13.774
    7    HB3  SER   2           2HB      SER   2  -6.510 -26.545  14.414
    8    HG   SER   2           HG       SER   2  -6.927 -27.252  16.374
    9    H    SER   3           H        SER   3  -8.591 -24.629  14.509
   10    HA   SER   3           HA       SER   3  -7.875 -23.701  11.860
   11    HB2  SER   3           1HB      SER   3 -10.562 -23.029  13.083
   12    HB3  SER   3           2HB      SER   3  -9.877 -22.239  11.663
   13    HG   SER   3           HG       SER   3 -11.062 -24.711  11.911
   14    H    GLY   4           H        GLY   4  -7.354 -21.440  11.799
   15    HA2  GLY   4           1HA      GLY   4  -7.494 -19.790  14.113
   16    HA3  GLY   4           2HA      GLY   4  -5.899 -20.514  13.965
   17    H    SER   5           H        SER   5  -8.298 -18.801  11.960
   18    HA   SER   5           HA       SER   5  -6.079 -17.535  10.513
   19    HB2  SER   5           1HB      SER   5  -7.929 -18.759   9.261
   20    HB3  SER   5           2HB      SER   5  -9.002 -17.449   9.755
   21    HG   SER   5           HG       SER   5  -6.853 -17.421   7.964
   22    H    SER   6           H        SER   6  -5.652 -15.427  10.717
   23    HA   SER   6           HA       SER   6  -7.254 -13.876  12.587
   24    HB2  SER   6           1HB      SER   6  -4.848 -13.837  12.911
   25    HB3  SER   6           2HB      SER   6  -4.600 -13.294  11.252
   26    HG   SER   6           HG       SER   6  -4.521 -11.485  12.501
   27    H    GLY   7           H        GLY   7  -8.704 -12.406  11.992
   28    HA2  GLY   7           1HA      GLY   7  -9.169 -11.878   9.204
   29    HA3  GLY   7           2HA      GLY   7 -10.090 -11.236  10.556
   30    H    GLU   8           H        GLU   8  -9.803  -9.164  11.120
   31    HA   GLU   8           HA       GLU   8  -8.645  -7.289   9.540
   32    HB2  GLU   8           1HB      GLU   8  -8.604  -5.788  11.493
   33    HB3  GLU   8           2HB      GLU   8 -10.102  -6.703  11.396
   34    HG2  GLU   8           1HG      GLU   8  -7.884  -7.776  13.058
   35    HG3  GLU   8           2HG      GLU   8  -8.822  -6.413  13.666
   36    H    SER   9           H        SER   9  -6.715  -6.013   9.664
   37    HA   SER   9           HA       SER   9  -4.418  -7.523  10.728
   38    HB2  SER   9           1HB      SER   9  -4.699  -5.845   8.238
   39    HB3  SER   9           2HB      SER   9  -3.122  -6.259   8.911
   40    HG   SER   9           HG       SER   9  -4.241  -8.521   8.849
   41    H    LEU  10           H        LEU  10  -3.743  -6.592  12.545
   42    HA   LEU  10           HA       LEU  10  -3.485  -3.657  12.587
   43    HB2  LEU  10           1HB      LEU  10  -4.025  -5.416  14.972
   44    HB3  LEU  10           2HB      LEU  10  -3.971  -3.654  14.939
   45    HG   LEU  10           HG       LEU  10  -5.995  -5.042  13.251
   46   HD11  LEU  10          1HD1      LEU  10  -7.507  -4.808  15.348
   47   HD12  LEU  10          2HD1      LEU  10  -5.989  -4.932  16.237
   48   HD13  LEU  10          3HD1      LEU  10  -6.490  -6.238  15.163
   49   HD21  LEU  10          1HD2      LEU  10  -6.747  -2.967  13.037
   50   HD22  LEU  10          2HD2      LEU  10  -5.382  -2.398  13.998
   51   HD23  LEU  10          3HD2      LEU  10  -6.907  -2.807  14.786
   52    H    CYS  11           H        CYS  11  -1.593  -2.806  13.340
   53    HA   CYS  11           HA       CYS  11   0.772  -4.163  13.088
   54    HB2  CYS  11           1HB      CYS  11   0.230  -1.609  13.476
   55    HB3  CYS  11           2HB      CYS  11   0.606  -2.004  15.150
   56    HA   PRO  12           HA       PRO  12   0.962  -6.855  16.586
   57    HB2  PRO  12           1HB      PRO  12   3.599  -7.478  16.417
   58    HB3  PRO  12           2HB      PRO  12   2.384  -8.138  15.316
   59    HG2  PRO  12           1HG      PRO  12   4.279  -5.858  14.899
   60    HG3  PRO  12           2HG      PRO  12   3.833  -7.161  13.782
   61    HD2  PRO  12           1HD      PRO  12   2.768  -4.677  13.621
   62    HD3  PRO  12           2HD      PRO  12   1.860  -6.136  13.174
   63    H    GLN  13           H        GLN  13   2.429  -3.830  16.346
   64    HA   GLN  13           HA       GLN  13   3.359  -3.980  19.138
   65    HB2  GLN  13           1HB      GLN  13   4.381  -2.255  16.877
   66    HB3  GLN  13           2HB      GLN  13   4.872  -2.076  18.556
   67    HG2  GLN  13           1HG      GLN  13   5.202  -4.650  17.052
   68    HG3  GLN  13           2HG      GLN  13   6.421  -3.376  17.036
   69   HE21  GLN  13          1HE2      GLN  13   4.936  -5.894  18.854
   70   HE22  GLN  13          2HE2      GLN  13   5.993  -5.831  20.218
   71    H    HIS  14           H        HIS  14   1.789  -1.958  16.697
   72    HA   HIS  14           HA       HIS  14   0.906  -0.087  18.755
   73    HB2  HIS  14           1HB      HIS  14   0.581  -0.046  15.748
   74    HB3  HIS  14           2HB      HIS  14   0.002   1.215  16.833
   75    HD2  HIS  14           2HD      HIS  14   1.855   3.118  17.471
   76    HE1  HIS  14           1HE      HIS  14   5.232   1.168  15.799
   77    HE2  HIS  14           2HE      HIS  14   4.386   3.242  16.951
   78    H    HIS  15           H        HIS  15  -0.291  -2.669  16.766
   79    HA   HIS  15           HA       HIS  15  -2.291  -3.749  16.671
   80    HB2  HIS  15           1HB      HIS  15  -3.135  -2.364  19.199
   81    HB3  HIS  15           2HB      HIS  15  -3.498  -4.001  18.661
   82    HD1  HIS  15           1HD      HIS  15  -1.204  -2.095  20.755
   83    HD2  HIS  15           2HD      HIS  15  -1.198  -5.790  18.855
   84    HE1  HIS  15           1HE      HIS  15   0.642  -3.409  21.846
   85    H    GLU  16           H        GLU  16  -2.011  -1.129  15.445
   86    HA   GLU  16           HA       GLU  16  -4.807  -0.205  15.560
   87    HB2  GLU  16           1HB      GLU  16  -2.259   1.278  14.935
   88    HB3  GLU  16           2HB      GLU  16  -3.842   1.920  14.520
   89    HG2  GLU  16           1HG      GLU  16  -2.983   1.168  17.303
   90    HG3  GLU  16           2HG      GLU  16  -2.930   2.801  16.641
   91    H    ALA  17           H        ALA  17  -5.955   0.043  13.675
   92    HA   ALA  17           HA       ALA  17  -5.707  -1.662  11.606
   93    HB1  ALA  17           1HB      ALA  17  -6.735   1.167  11.434
   94    HB2  ALA  17           2HB      ALA  17  -7.037  -0.095  10.239
   95    HB3  ALA  17           3HB      ALA  17  -7.660  -0.267  11.880
   96    H    LEU  18           H        LEU  18  -4.205  -2.061  10.132
   97    HA   LEU  18           HA       LEU  18  -2.099  -0.162   9.612
   98    HB2  LEU  18           1HB      LEU  18  -2.605  -2.839   8.323
   99    HB3  LEU  18           2HB      LEU  18  -1.107  -1.911   8.271
  100    HG   LEU  18           HG       LEU  18  -2.295  -3.105  10.775
  101   HD11  LEU  18          1HD1      LEU  18  -0.157  -4.570  10.474
  102   HD12  LEU  18          2HD1      LEU  18  -0.351  -4.156   8.771
  103   HD13  LEU  18          3HD1      LEU  18  -1.647  -4.990   9.629
  104   HD21  LEU  18          1HD2      LEU  18  -0.957  -1.411  11.548
  105   HD22  LEU  18          2HD2      LEU  18   0.132  -1.487  10.162
  106   HD23  LEU  18          3HD2      LEU  18   0.219  -2.719  11.421
  107    H    SER  19           H        SER  19  -2.480   1.483   8.280
  108    HA   SER  19           HA       SER  19  -3.963   0.943   5.790
  109    HB2  SER  19           1HB      SER  19  -4.868   2.616   7.634
  110    HB3  SER  19           2HB      SER  19  -3.725   3.721   6.870
  111    HG   SER  19           HG       SER  19  -4.988   3.853   5.191
  112    H    LEU  20           H        LEU  20  -1.058   0.720   6.388
  113    HA   LEU  20           HA       LEU  20  -0.134   2.263   4.105
  114    HB2  LEU  20           1HB      LEU  20   1.026   2.525   6.868
  115    HB3  LEU  20           2HB      LEU  20   1.910   2.976   5.411
  116    HG   LEU  20           HG       LEU  20  -0.669   4.219   6.368
  117   HD11  LEU  20          1HD1      LEU  20   2.204   5.071   6.522
  118   HD12  LEU  20          2HD1      LEU  20   1.008   4.977   7.814
  119   HD13  LEU  20          3HD1      LEU  20   0.880   6.234   6.584
  120   HD21  LEU  20          1HD2      LEU  20  -0.896   4.814   4.230
  121   HD22  LEU  20          2HD2      LEU  20   0.731   4.271   3.817
  122   HD23  LEU  20          3HD2      LEU  20   0.484   5.879   4.499
  123    H    PHE  21           H        PHE  21   2.133   1.632   3.499
  124    HA   PHE  21           HA       PHE  21   3.031  -0.938   4.501
  125    HB2  PHE  21           1HB      PHE  21   1.474  -1.721   2.864
  126    HB3  PHE  21           2HB      PHE  21   2.037  -0.548   1.678
  127    HD1  PHE  21           1HD      PHE  21   2.756  -3.719   3.353
  128    HD2  PHE  21           2HD      PHE  21   4.066  -0.914   0.432
  129    HE1  PHE  21           1HE      PHE  21   4.339  -5.383   2.470
  130    HE2  PHE  21           2HE      PHE  21   5.650  -2.573  -0.456
  131    HZ   PHE  21           HZ       PHE  21   5.788  -4.812   0.562
  132    H    CYS  22           H        CYS  22   5.178  -0.961   4.571
  133    HA   CYS  22           HA       CYS  22   6.659   1.159   3.249
  134    HB2  CYS  22           1HB      CYS  22   7.074   0.581   5.636
  135    HB3  CYS  22           2HB      CYS  22   7.662  -0.996   5.119
  136    H    TYR  23           H        TYR  23   7.563   0.903   1.327
  137    HA   TYR  23           HA       TYR  23   7.609  -1.560  -0.051
  138    HB2  TYR  23           1HB      TYR  23   8.578   1.198  -0.568
  139    HB3  TYR  23           2HB      TYR  23   9.324  -0.091  -1.507
  140    HD1  TYR  23           1HD      TYR  23   7.642  -1.758  -2.648
  141    HD2  TYR  23           2HD      TYR  23   6.626   2.165  -1.350
  142    HE1  TYR  23           1HE      TYR  23   5.725  -1.750  -4.190
  143    HE2  TYR  23           2HE      TYR  23   4.706   2.183  -2.887
  144    HH   TYR  23           HH       TYR  23   3.217   0.085  -3.997
  145    H    GLU  24           H        GLU  24  10.396   0.457   0.902
  146    HA   GLU  24           HA       GLU  24  12.480  -1.138   0.398
  147    HB2  GLU  24           1HB      GLU  24  11.911   0.670   2.698
  148    HB3  GLU  24           2HB      GLU  24  13.349  -0.338   2.777
  149    HG2  GLU  24           1HG      GLU  24  12.738   1.476   0.462
  150    HG3  GLU  24           2HG      GLU  24  13.679   1.976   1.866
  151    H    ASP  25           H        ASP  25  10.758  -1.336   3.517
  152    HA   ASP  25           HA       ASP  25  12.010  -3.794   4.237
  153    HB2  ASP  25           1HB      ASP  25   9.513  -2.536   5.392
  154    HB3  ASP  25           2HB      ASP  25  10.498  -3.785   6.148
  155    H    GLN  26           H        GLN  26   9.094  -2.930   2.547
  156    HA   GLN  26           HA       GLN  26   7.628  -4.185   1.336
  157    HB2  GLN  26           1HB      GLN  26   9.879  -5.549   1.006
  158    HB3  GLN  26           2HB      GLN  26   9.028  -6.737   1.985
  159    HG2  GLN  26           1HG      GLN  26   8.740  -7.185  -0.379
  160    HG3  GLN  26           2HG      GLN  26   7.202  -6.772   0.377
  161   HE21  GLN  26          1HE2      GLN  26   9.805  -4.626  -0.650
  162   HE22  GLN  26          2HE2      GLN  26   8.875  -3.761  -1.821
  163    H    GLU  27           H        GLU  27   7.326  -3.705   4.182
  164    HA   GLU  27           HA       GLU  27   5.511  -5.936   4.804
  165    HB2  GLU  27           1HB      GLU  27   6.074  -5.763   7.161
  166    HB3  GLU  27           2HB      GLU  27   7.524  -6.083   6.220
  167    HG2  GLU  27           1HG      GLU  27   7.733  -3.463   6.268
  168    HG3  GLU  27           2HG      GLU  27   6.723  -3.637   7.702
  169    H    ALA  28           H        ALA  28   3.704  -5.367   6.178
  170    HA   ALA  28           HA       ALA  28   2.706  -2.714   5.553
  171    HB1  ALA  28           1HB      ALA  28   0.882  -4.205   7.162
  172    HB2  ALA  28           2HB      ALA  28   0.749  -3.753   5.462
  173    HB3  ALA  28           3HB      ALA  28   1.544  -5.261   5.913
  174    H    VAL  29           H        VAL  29   2.507  -1.065   6.944
  175    HA   VAL  29           HA       VAL  29   2.919  -1.595   9.811
  176    HB   VAL  29           HB       VAL  29   4.205   0.491  10.002
  177   HG11  VAL  29          1HG1      VAL  29   6.032  -0.530   8.160
  178   HG12  VAL  29          2HG1      VAL  29   5.905  -0.939   9.872
  179   HG13  VAL  29          3HG1      VAL  29   5.068  -1.917   8.667
  180   HG21  VAL  29          1HG2      VAL  29   3.128   1.384   7.809
  181   HG22  VAL  29          2HG2      VAL  29   4.779   1.849   8.220
  182   HG23  VAL  29          3HG2      VAL  29   4.491   0.583   7.027
  183    H    CYS  30           H        CYS  30   2.166   0.210  11.205
  184    HA   CYS  30           HA       CYS  30  -0.434   1.106  10.290
  185    HB2  CYS  30           1HB      CYS  30  -0.820   1.749  12.600
  186    HB3  CYS  30           2HB      CYS  30  -0.146   0.123  12.546
  187    H    LEU  31           H        LEU  31  -0.950   3.424  11.446
  188    HA   LEU  31           HA       LEU  31   0.329   5.323   9.795
  189    HB2  LEU  31           1HB      LEU  31  -1.983   5.520  10.649
  190    HB3  LEU  31           2HB      LEU  31  -1.336   5.806  12.263
  191    HG   LEU  31           HG       LEU  31  -0.523   7.622  10.040
  192   HD11  LEU  31          1HD1      LEU  31  -3.198   7.607  11.410
  193   HD12  LEU  31          2HD1      LEU  31  -2.855   7.626   9.681
  194   HD13  LEU  31          3HD1      LEU  31  -2.511   9.049  10.663
  195   HD21  LEU  31          1HD2      LEU  31  -1.193   8.903  12.483
  196   HD22  LEU  31          2HD2      LEU  31   0.395   8.709  11.740
  197   HD23  LEU  31          3HD2      LEU  31  -0.212   7.486  12.857
  198    H    ILE  32           H        ILE  32   0.381   5.007  13.351
  199    HA   ILE  32           HA       ILE  32   2.215   6.934  13.976
  200    HB   ILE  32           HB       ILE  32   2.025   4.197  15.239
  201   HG12  ILE  32          1HG1      ILE  32   0.739   5.765  16.957
  202   HG13  ILE  32          2HG1      ILE  32   0.459   6.723  15.507
  203   HG21  ILE  32          1HG2      ILE  32   3.046   5.193  17.192
  204   HG22  ILE  32          2HG2      ILE  32   4.103   5.398  15.796
  205   HG23  ILE  32          3HG2      ILE  32   3.140   6.756  16.379
  206   HD11  ILE  32          1HD1      ILE  32  -1.037   5.275  14.700
  207   HD12  ILE  32          2HD1      ILE  32  -0.094   3.869  15.194
  208   HD13  ILE  32          3HD1      ILE  32  -1.121   4.697  16.364
  209    H    CYS  33           H        CYS  33   2.917   3.589  13.003
  210    HA   CYS  33           HA       CYS  33   5.665   3.591  13.269
  211    HB2  CYS  33           1HB      CYS  33   3.742   2.139  11.519
  212    HB3  CYS  33           2HB      CYS  33   5.451   2.040  11.108
  213    H    ALA  34           H        ALA  34   3.791   4.476  10.371
  214    HA   ALA  34           HA       ALA  34   5.613   5.063   8.521
  215    HB1  ALA  34           1HB      ALA  34   3.876   6.043   7.553
  216    HB2  ALA  34           2HB      ALA  34   3.011   5.990   9.089
  217    HB3  ALA  34           3HB      ALA  34   3.984   7.401   8.673
  218    H    ILE  35           H        ILE  35   4.766   7.431  11.056
  219    HA   ILE  35           HA       ILE  35   6.387   9.492  10.603
  220    HB   ILE  35           HB       ILE  35   6.188   8.130  13.292
  221   HG12  ILE  35          1HG1      ILE  35   4.452  10.140  11.867
  222   HG13  ILE  35          2HG1      ILE  35   3.981   8.594  12.565
  223   HG21  ILE  35          1HG2      ILE  35   6.906  10.122  14.291
  224   HG22  ILE  35          2HG2      ILE  35   8.011   9.884  12.938
  225   HG23  ILE  35          3HG2      ILE  35   6.692  11.048  12.806
  226   HD11  ILE  35          1HD1      ILE  35   4.253   9.456  14.785
  227   HD12  ILE  35          2HD1      ILE  35   4.906  10.970  14.159
  228   HD13  ILE  35          3HD1      ILE  35   3.220  10.548  13.864
  229    H    SER  36           H        SER  36   7.569   6.670  12.443
  230    HA   SER  36           HA       SER  36  10.243   7.405  12.545
  231    HB2  SER  36           1HB      SER  36   9.148   4.587  12.368
  232    HB3  SER  36           2HB      SER  36  10.725   5.054  13.004
  233    HG   SER  36           HG       SER  36   8.176   5.401  14.115
  234    H    HIS  37           H        HIS  37   8.744   5.126  10.244
  235    HA   HIS  37           HA       HIS  37  10.946   4.687   8.629
  236    HB2  HIS  37           1HB      HIS  37   8.015   4.777   7.895
  237    HB3  HIS  37           2HB      HIS  37   9.276   4.176   6.823
  238    HD2  HIS  37           2HD      HIS  37   8.286   3.243  10.555
  239    HE1  HIS  37           1HE      HIS  37   9.045  -0.287   8.328
  240    HE2  HIS  37           2HE      HIS  37   8.305   0.656  10.543
  241    H    THR  38           H        THR  38   8.265   6.873   7.758
  242    HA   THR  38           HA       THR  38   9.324   8.142   5.616
  243    HB   THR  38           HB       THR  38   8.051  10.181   6.273
  244    HG1  THR  38           1HG      THR  38   7.352   8.706   8.606
  245   HG21  THR  38          1HG2      THR  38   5.822   8.826   6.666
  246   HG22  THR  38          2HG2      THR  38   6.862   7.447   6.307
  247   HG23  THR  38          3HG2      THR  38   6.675   8.743   5.125
  248    H    HIS  39           H        HIS  39  10.353   8.472   8.912
  249    HA   HIS  39           HA       HIS  39  11.905  10.861   8.435
  250    HB2  HIS  39           1HB      HIS  39  10.815  10.166  10.656
  251    HB3  HIS  39           2HB      HIS  39  12.163   9.045  10.825
  252    HD1  HIS  39           1HD      HIS  39  11.203  12.265  11.878
  253    HD2  HIS  39           2HD      HIS  39  14.752  10.648  10.445
  254    HE1  HIS  39           1HE      HIS  39  13.013  13.838  12.635
  255    H    ARG  40           H        ARG  40  12.456   7.398   8.650
  256    HA   ARG  40           HA       ARG  40  15.327   7.674   8.478
  257    HB2  ARG  40           1HB      ARG  40  13.512   5.261   8.385
  258    HB3  ARG  40           2HB      ARG  40  15.267   5.171   8.305
  259    HG2  ARG  40           1HG      ARG  40  14.051   6.640  10.579
  260    HG3  ARG  40           2HG      ARG  40  13.957   4.878  10.574
  261    HD2  ARG  40           1HD      ARG  40  15.940   5.258  11.698
  262    HD3  ARG  40           2HD      ARG  40  16.493   4.999  10.044
  263    HE   ARG  40           HE       ARG  40  16.138   7.697  10.226
  264   HH11  ARG  40          2HH1      ARG  40  17.963   5.332  12.014
  265   HH12  ARG  40          1HH1      ARG  40  19.219   6.442  12.452
  266   HH21  ARG  40          2HH2      ARG  40  17.785   9.167  10.796
  267   HH22  ARG  40          1HH2      ARG  40  19.116   8.624  11.760
  268    H    ALA  41           H        ALA  41  13.249   8.473   6.303
  269    HA   ALA  41           HA       ALA  41  13.295   8.686   4.035
  270    HB1  ALA  41           1HB      ALA  41  15.897   8.608   4.688
  271    HB2  ALA  41           2HB      ALA  41  15.802   7.171   3.669
  272    HB3  ALA  41           3HB      ALA  41  15.317   8.741   3.028
  273    H    HIS  42           H        HIS  42  11.855   6.580   5.108
  274    HA   HIS  42           HA       HIS  42  12.360   4.344   3.267
  275    HB2  HIS  42           1HB      HIS  42  11.128   4.550   5.967
  276    HB3  HIS  42           2HB      HIS  42  10.470   3.339   4.871
  277    HD2  HIS  42           2HD      HIS  42  14.237   3.706   4.419
  278    HE1  HIS  42           1HE      HIS  42  13.629   0.419   7.031
  279    HE2  HIS  42           2HE      HIS  42  15.311   1.720   5.682
  280    H    THR  43           H        THR  43  10.961   3.869   1.681
  281    HA   THR  43           HA       THR  43   8.908   5.727   1.014
  282    HB   THR  43           HB       THR  43   9.444   3.008  -0.197
  283    HG1  THR  43           1HG      THR  43  11.267   4.194  -0.526
  284   HG21  THR  43          1HG2      THR  43   7.214   4.350  -0.598
  285   HG22  THR  43          2HG2      THR  43   8.051   3.570  -1.940
  286   HG23  THR  43          3HG2      THR  43   8.237   5.303  -1.672
  287    H    VAL  44           H        VAL  44   6.847   5.745   1.616
  288    HA   VAL  44           HA       VAL  44   5.554   3.230   2.397
  289    HB   VAL  44           HB       VAL  44   5.337   5.772   4.015
  290   HG11  VAL  44          1HG1      VAL  44   3.979   4.532   5.524
  291   HG12  VAL  44          2HG1      VAL  44   3.322   4.275   3.906
  292   HG13  VAL  44          3HG1      VAL  44   4.300   3.022   4.672
  293   HG21  VAL  44          1HG2      VAL  44   6.457   4.318   5.782
  294   HG22  VAL  44          2HG2      VAL  44   6.912   3.249   4.455
  295   HG23  VAL  44          3HG2      VAL  44   7.480   4.918   4.477
  296    H    VAL  45           H        VAL  45   3.613   2.992   1.496
  297    HA   VAL  45           HA       VAL  45   2.148   5.392   0.627
  298    HB   VAL  45           HB       VAL  45   1.501   4.335  -1.442
  299   HG11  VAL  45          1HG1      VAL  45   3.507   4.551  -2.618
  300   HG12  VAL  45          2HG1      VAL  45   3.755   5.533  -1.173
  301   HG13  VAL  45          3HG1      VAL  45   4.467   3.923  -1.280
  302   HG21  VAL  45          1HG2      VAL  45   2.845   2.149  -1.999
  303   HG22  VAL  45          2HG2      VAL  45   2.855   1.964  -0.246
  304   HG23  VAL  45          3HG2      VAL  45   1.323   2.069  -1.113
  305    HA   PRO  46           HA       PRO  46  -1.343   3.595   2.601
  306    HB2  PRO  46           1HB      PRO  46  -3.347   4.689   1.132
  307    HB3  PRO  46           2HB      PRO  46  -2.389   5.618   2.291
  308    HG2  PRO  46           1HG      PRO  46  -2.118   5.450  -0.685
  309    HG3  PRO  46           2HG      PRO  46  -2.026   6.874   0.368
  310    HD2  PRO  46           1HD      PRO  46   0.177   5.640  -0.610
  311    HD3  PRO  46           2HD      PRO  46   0.154   6.439   0.976
  312    H    LEU  47           H        LEU  47  -2.445   1.726   2.471
  313    HA   LEU  47           HA       LEU  47  -2.273   0.150   0.084
  314    HB2  LEU  47           1HB      LEU  47  -3.258  -0.250   2.857
  315    HB3  LEU  47           2HB      LEU  47  -3.860  -1.337   1.606
  316    HG   LEU  47           HG       LEU  47  -1.341  -1.704   1.076
  317   HD11  LEU  47          1HD1      LEU  47  -0.359  -1.583   3.636
  318   HD12  LEU  47          2HD1      LEU  47  -1.250  -0.069   3.485
  319   HD13  LEU  47          3HD1      LEU  47   0.023  -0.462   2.330
  320   HD21  LEU  47          1HD2      LEU  47  -2.857  -3.410   1.948
  321   HD22  LEU  47          2HD2      LEU  47  -2.605  -2.805   3.585
  322   HD23  LEU  47          3HD2      LEU  47  -1.264  -3.528   2.695
  323    H    SER  48           H        SER  48  -5.083   1.120   2.062
  324    HA   SER  48           HA       SER  48  -7.113   0.372   0.411
  325    HB2  SER  48           1HB      SER  48  -8.498   2.017   1.482
  326    HB3  SER  48           2HB      SER  48  -7.334   1.449   2.679
  327    HG   SER  48           HG       SER  48  -6.591   3.402   2.820
  328    H    GLY  49           H        GLY  49  -4.838   2.920  -0.112
  329    HA2  GLY  49           1HA      GLY  49  -4.507   3.621  -2.425
  330    HA3  GLY  49           2HA      GLY  49  -6.255   3.605  -2.610
  331    HA   PRO  50           HA       PRO  50  -4.966   7.982  -1.867
  332    HB2  PRO  50           1HB      PRO  50  -6.591   9.021  -3.777
  333    HB3  PRO  50           2HB      PRO  50  -4.966   8.419  -4.122
  334    HG2  PRO  50           1HG      PRO  50  -7.609   7.071  -4.517
  335    HG3  PRO  50           2HG      PRO  50  -6.203   7.115  -5.597
  336    HD2  PRO  50           1HD      PRO  50  -6.760   4.988  -4.016
  337    HD3  PRO  50           2HD      PRO  50  -5.100   5.459  -4.434
  338    H    SER  51           H        SER  51  -6.070   9.500  -0.689
  339    HA   SER  51           HA       SER  51  -8.960   9.239  -0.371
  340    HB2  SER  51           1HB      SER  51  -7.055   9.186   1.982
  341    HB3  SER  51           2HB      SER  51  -8.816   9.212   2.077
  342    HG   SER  51           HG       SER  51  -8.898   7.160   1.490
  343    H    SER  52           H        SER  52  -9.864  11.064   0.934
  344    HA   SER  52           HA       SER  52  -9.085  13.521  -0.113
  345    HB2  SER  52           1HB      SER  52 -10.561  14.507   1.664
  346    HB3  SER  52           2HB      SER  52 -11.323  13.221   0.729
  347    HG   SER  52           HG       SER  52 -10.660  13.310   3.398
  348    H    GLY  53           H        GLY  53  -8.620  12.324   3.218
  349    HA2  GLY  53           1HA      GLY  53  -7.236  13.112   4.896
  350    HA3  GLY  53           2HA      GLY  53  -6.023  12.974   3.631
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -17.978 -12.835  13.380
    2    HA2  GLY   1           1HA      GLY   1 -19.476 -13.198  11.656
    3    HA3  GLY   1           2HA      GLY   1 -20.593 -13.885  12.826
    4    H    SER   2           H        SER   2 -21.581 -12.340  10.825
    5    HA   SER   2           HA       SER   2 -22.994 -10.598  10.443
    6    HB2  SER   2           1HB      SER   2 -22.789 -10.160  13.432
    7    HB3  SER   2           2HB      SER   2 -24.016  -9.473  12.368
    8    HG   SER   2           HG       SER   2 -24.863 -11.303  13.321
    9    H    SER   3           H        SER   3 -20.303 -10.156   9.978
   10    HA   SER   3           HA       SER   3 -20.170  -7.264  10.352
   11    HB2  SER   3           1HB      SER   3 -17.773  -7.386  10.993
   12    HB3  SER   3           2HB      SER   3 -18.831  -8.123  12.196
   13    HG   SER   3           HG       SER   3 -16.809  -9.278  11.353
   14    H    GLY   4           H        GLY   4 -19.080  -6.172   8.725
   15    HA2  GLY   4           1HA      GLY   4 -18.340  -7.850   6.410
   16    HA3  GLY   4           2HA      GLY   4 -19.030  -6.238   6.286
   17    H    SER   5           H        SER   5 -16.154  -8.068   7.141
   18    HA   SER   5           HA       SER   5 -14.571  -5.612   6.751
   19    HB2  SER   5           1HB      SER   5 -14.139  -7.895   8.678
   20    HB3  SER   5           2HB      SER   5 -12.857  -6.759   8.255
   21    HG   SER   5           HG       SER   5 -13.724  -5.372   9.561
   22    H    SER   6           H        SER   6 -12.823  -5.711   5.415
   23    HA   SER   6           HA       SER   6 -12.467  -8.234   3.942
   24    HB2  SER   6           1HB      SER   6 -11.582  -6.834   2.105
   25    HB3  SER   6           2HB      SER   6 -13.227  -6.374   2.546
   26    HG   SER   6           HG       SER   6 -12.518  -4.476   3.086
   27    H    GLY   7           H        GLY   7 -10.932  -9.215   5.237
   28    HA2  GLY   7           1HA      GLY   7  -8.810  -9.716   5.956
   29    HA3  GLY   7           2HA      GLY   7  -8.238  -8.575   4.748
   30    H    GLU   8           H        GLU   8  -8.844  -9.134   8.081
   31    HA   GLU   8           HA       GLU   8  -8.430  -6.353   8.822
   32    HB2  GLU   8           1HB      GLU   8  -8.964  -6.990  11.032
   33    HB3  GLU   8           2HB      GLU   8 -10.045  -7.922  10.006
   34    HG2  GLU   8           1HG      GLU   8  -7.467  -8.997  11.113
   35    HG3  GLU   8           2HG      GLU   8  -9.029  -9.180  11.909
   36    H    SER   9           H        SER   9  -6.583  -5.504   9.607
   37    HA   SER   9           HA       SER   9  -4.404  -7.215  10.465
   38    HB2  SER   9           1HB      SER   9  -4.377  -5.684   7.899
   39    HB3  SER   9           2HB      SER   9  -2.886  -5.778   8.836
   40    HG   SER   9           HG       SER   9  -3.393  -7.499   7.193
   41    H    LEU  10           H        LEU  10  -3.688  -6.325  12.273
   42    HA   LEU  10           HA       LEU  10  -3.503  -3.391  12.429
   43    HB2  LEU  10           1HB      LEU  10  -4.267  -5.207  14.707
   44    HB3  LEU  10           2HB      LEU  10  -4.191  -3.447  14.734
   45    HG   LEU  10           HG       LEU  10  -6.079  -4.812  12.863
   46   HD11  LEU  10          1HD1      LEU  10  -7.199  -5.773  14.519
   47   HD12  LEU  10          2HD1      LEU  10  -7.538  -4.161  15.150
   48   HD13  LEU  10          3HD1      LEU  10  -6.134  -5.058  15.731
   49   HD21  LEU  10          1HD2      LEU  10  -5.449  -2.193  13.361
   50   HD22  LEU  10          2HD2      LEU  10  -6.890  -2.432  14.349
   51   HD23  LEU  10          3HD2      LEU  10  -6.943  -2.764  12.617
   52    H    CYS  11           H        CYS  11  -1.683  -2.564  13.356
   53    HA   CYS  11           HA       CYS  11   0.711  -3.809  13.254
   54    HB2  CYS  11           1HB      CYS  11   0.102  -1.349  13.870
   55    HB3  CYS  11           2HB      CYS  11   0.207  -1.921  15.532
   56    HA   PRO  12           HA       PRO  12   0.674  -6.944  16.369
   57    HB2  PRO  12           1HB      PRO  12   3.334  -7.488  16.356
   58    HB3  PRO  12           2HB      PRO  12   2.238  -8.019  15.074
   59    HG2  PRO  12           1HG      PRO  12   4.092  -5.668  15.130
   60    HG3  PRO  12           2HG      PRO  12   3.784  -6.819  13.817
   61    HD2  PRO  12           1HD      PRO  12   2.662  -4.356  13.888
   62    HD3  PRO  12           2HD      PRO  12   1.841  -5.759  13.174
   63    H    GLN  13           H        GLN  13   1.945  -3.871  16.692
   64    HA   GLN  13           HA       GLN  13   2.573  -4.359  19.526
   65    HB2  GLN  13           1HB      GLN  13   4.061  -2.698  17.515
   66    HB3  GLN  13           2HB      GLN  13   4.148  -2.319  19.230
   67    HG2  GLN  13           1HG      GLN  13   4.737  -4.884  19.408
   68    HG3  GLN  13           2HG      GLN  13   5.245  -4.636  17.738
   69   HE21  GLN  13          1HE2      GLN  13   5.655  -3.423  21.023
   70   HE22  GLN  13          2HE2      GLN  13   7.275  -2.862  20.807
   71    H    HIS  14           H        HIS  14   1.742  -1.823  17.166
   72    HA   HIS  14           HA       HIS  14   0.601  -0.144  19.212
   73    HB2  HIS  14           1HB      HIS  14   0.629   0.092  16.197
   74    HB3  HIS  14           2HB      HIS  14  -0.038   1.311  17.279
   75    HD2  HIS  14           2HD      HIS  14   2.058   2.318  19.151
   76    HE1  HIS  14           1HE      HIS  14   5.072   1.682  16.234
   77    HE2  HIS  14           2HE      HIS  14   4.509   2.747  18.446
   78    H    HIS  15           H        HIS  15  -0.491  -2.661  17.163
   79    HA   HIS  15           HA       HIS  15  -2.525  -3.613  16.798
   80    HB2  HIS  15           1HB      HIS  15  -3.709  -2.145  19.115
   81    HB3  HIS  15           2HB      HIS  15  -3.910  -3.827  18.634
   82    HD1  HIS  15           1HD      HIS  15  -2.562  -2.034  21.289
   83    HD2  HIS  15           2HD      HIS  15  -1.092  -5.128  18.938
   84    HE1  HIS  15           1HE      HIS  15  -0.728  -3.095  22.644
   85    H    GLU  16           H        GLU  16  -1.955  -1.114  15.503
   86    HA   GLU  16           HA       GLU  16  -4.639   0.083  15.335
   87    HB2  GLU  16           1HB      GLU  16  -1.895   1.184  14.805
   88    HB3  GLU  16           2HB      GLU  16  -3.315   1.932  14.089
   89    HG2  GLU  16           1HG      GLU  16  -3.112   1.445  17.038
   90    HG3  GLU  16           2HG      GLU  16  -2.437   2.888  16.283
   91    H    ALA  17           H        ALA  17  -5.434   0.667  13.219
   92    HA   ALA  17           HA       ALA  17  -5.288  -1.410  11.355
   93    HB1  ALA  17           1HB      ALA  17  -6.328   1.400  11.182
   94    HB2  ALA  17           2HB      ALA  17  -6.399   0.296   9.808
   95    HB3  ALA  17           3HB      ALA  17  -7.233  -0.109  11.309
   96    H    LEU  18           H        LEU  18  -3.913  -1.874   9.762
   97    HA   LEU  18           HA       LEU  18  -1.635  -0.152   9.311
   98    HB2  LEU  18           1HB      LEU  18  -2.336  -2.777   8.008
   99    HB3  LEU  18           2HB      LEU  18  -0.773  -1.964   7.957
  100    HG   LEU  18           HG       LEU  18  -2.065  -3.148  10.414
  101   HD11  LEU  18          1HD1      LEU  18  -0.931  -4.541   8.405
  102   HD12  LEU  18          2HD1      LEU  18  -0.878  -5.033  10.098
  103   HD13  LEU  18          3HD1      LEU  18   0.491  -4.180   9.384
  104   HD21  LEU  18          1HD2      LEU  18   0.715  -2.661  10.704
  105   HD22  LEU  18          2HD2      LEU  18  -0.626  -1.954  11.606
  106   HD23  LEU  18          3HD2      LEU  18  -0.042  -1.174  10.134
  107    H    SER  19           H        SER  19  -2.686   1.638   8.316
  108    HA   SER  19           HA       SER  19  -3.894   1.183   5.697
  109    HB2  SER  19           1HB      SER  19  -4.785   2.807   7.535
  110    HB3  SER  19           2HB      SER  19  -3.529   3.894   6.941
  111    HG   SER  19           HG       SER  19  -5.929   3.328   5.865
  112    H    LEU  20           H        LEU  20  -0.947   0.944   6.382
  113    HA   LEU  20           HA       LEU  20  -0.002   2.425   4.060
  114    HB2  LEU  20           1HB      LEU  20   1.151   2.709   6.823
  115    HB3  LEU  20           2HB      LEU  20   2.039   3.139   5.363
  116    HG   LEU  20           HG       LEU  20  -0.589   4.390   6.145
  117   HD11  LEU  20          1HD1      LEU  20   1.616   6.174   6.388
  118   HD12  LEU  20          2HD1      LEU  20   1.936   4.740   7.364
  119   HD13  LEU  20          3HD1      LEU  20   0.458   5.668   7.619
  120   HD21  LEU  20          1HD2      LEU  20  -0.233   5.897   4.419
  121   HD22  LEU  20          2HD2      LEU  20   0.303   4.370   3.719
  122   HD23  LEU  20          3HD2      LEU  20   1.489   5.532   4.317
  123    H    PHE  21           H        PHE  21   2.121   1.692   3.321
  124    HA   PHE  21           HA       PHE  21   3.035  -0.855   4.411
  125    HB2  PHE  21           1HB      PHE  21   1.483  -1.650   2.791
  126    HB3  PHE  21           2HB      PHE  21   2.015  -0.469   1.599
  127    HD1  PHE  21           1HD      PHE  21   3.163  -3.433   3.517
  128    HD2  PHE  21           2HD      PHE  21   3.647  -1.024   0.042
  129    HE1  PHE  21           1HE      PHE  21   4.740  -5.082   2.597
  130    HE2  PHE  21           2HE      PHE  21   5.224  -2.669  -0.884
  131    HZ   PHE  21           HZ       PHE  21   5.773  -4.702   0.394
  132    H    CYS  22           H        CYS  22   5.153  -0.688   4.659
  133    HA   CYS  22           HA       CYS  22   6.670   1.321   3.263
  134    HB2  CYS  22           1HB      CYS  22   7.068   0.752   5.653
  135    HB3  CYS  22           2HB      CYS  22   7.641  -0.835   5.150
  136    H    TYR  23           H        TYR  23   7.629   1.058   1.368
  137    HA   TYR  23           HA       TYR  23   7.651  -1.409  -0.014
  138    HB2  TYR  23           1HB      TYR  23   8.653   1.338  -0.522
  139    HB3  TYR  23           2HB      TYR  23   9.400   0.042  -1.449
  140    HD1  TYR  23           1HD      TYR  23   7.892  -1.475  -2.820
  141    HD2  TYR  23           2HD      TYR  23   6.546   2.186  -1.121
  142    HE1  TYR  23           1HE      TYR  23   5.997  -1.452  -4.387
  143    HE2  TYR  23           2HE      TYR  23   4.646   2.218  -2.683
  144    HH   TYR  23           HH       TYR  23   3.389   0.814  -4.083
  145    H    GLU  24           H        GLU  24  10.363   0.556   1.221
  146    HA   GLU  24           HA       GLU  24  12.458  -1.107   0.668
  147    HB2  GLU  24           1HB      GLU  24  12.414   1.195   1.855
  148    HB3  GLU  24           2HB      GLU  24  12.290   0.260   3.338
  149    HG2  GLU  24           1HG      GLU  24  14.462  -0.329   1.378
  150    HG3  GLU  24           2HG      GLU  24  14.610   1.031   2.490
  151    H    ASP  25           H        ASP  25  10.697  -1.106   3.772
  152    HA   ASP  25           HA       ASP  25  11.888  -3.535   4.653
  153    HB2  ASP  25           1HB      ASP  25   9.480  -1.990   5.623
  154    HB3  ASP  25           2HB      ASP  25  10.082  -3.441   6.420
  155    H    GLN  26           H        GLN  26   9.521  -2.921   2.376
  156    HA   GLN  26           HA       GLN  26   7.919  -4.170   1.337
  157    HB2  GLN  26           1HB      GLN  26  10.039  -6.156   2.076
  158    HB3  GLN  26           2HB      GLN  26   8.567  -6.699   1.281
  159    HG2  GLN  26           1HG      GLN  26  10.553  -4.701   0.224
  160    HG3  GLN  26           2HG      GLN  26  10.295  -6.348  -0.352
  161   HE21  GLN  26          1HE2      GLN  26   9.865  -3.359  -1.277
  162   HE22  GLN  26          2HE2      GLN  26   8.365  -3.466  -2.127
  163    H    GLU  27           H        GLU  27   7.563  -3.657   4.214
  164    HA   GLU  27           HA       GLU  27   5.724  -5.883   4.793
  165    HB2  GLU  27           1HB      GLU  27   6.259  -5.837   7.094
  166    HB3  GLU  27           2HB      GLU  27   7.802  -5.817   6.254
  167    HG2  GLU  27           1HG      GLU  27   7.806  -3.322   6.534
  168    HG3  GLU  27           2HG      GLU  27   6.409  -3.517   7.592
  169    H    ALA  28           H        ALA  28   3.906  -5.285   6.199
  170    HA   ALA  28           HA       ALA  28   2.921  -2.629   5.489
  171    HB1  ALA  28           1HB      ALA  28   1.668  -5.211   6.226
  172    HB2  ALA  28           2HB      ALA  28   0.798  -3.736   6.649
  173    HB3  ALA  28           3HB      ALA  28   1.230  -4.054   4.969
  174    H    VAL  29           H        VAL  29   2.935  -1.004   6.887
  175    HA   VAL  29           HA       VAL  29   3.104  -1.625   9.765
  176    HB   VAL  29           HB       VAL  29   4.282   0.527  10.049
  177   HG11  VAL  29          1HG1      VAL  29   5.981  -0.925  10.019
  178   HG12  VAL  29          2HG1      VAL  29   5.317  -1.806   8.642
  179   HG13  VAL  29          3HG1      VAL  29   6.279  -0.352   8.378
  180   HG21  VAL  29          1HG2      VAL  29   5.057   0.834   7.268
  181   HG22  VAL  29          2HG2      VAL  29   3.328   1.084   7.512
  182   HG23  VAL  29          3HG2      VAL  29   4.495   2.042   8.424
  183    H    CYS  30           H        CYS  30   2.477   0.488  11.059
  184    HA   CYS  30           HA       CYS  30  -0.175   1.276  10.064
  185    HB2  CYS  30           1HB      CYS  30  -0.880   1.509  12.306
  186    HB3  CYS  30           2HB      CYS  30   0.078   0.033  12.281
  187    H    LEU  31           H        LEU  31  -0.855   3.472  11.208
  188    HA   LEU  31           HA       LEU  31   0.463   5.530   9.940
  189    HB2  LEU  31           1HB      LEU  31  -0.971   5.888  12.555
  190    HB3  LEU  31           2HB      LEU  31  -0.832   7.034  11.223
  191    HG   LEU  31           HG       LEU  31  -2.453   4.488  11.217
  192   HD11  LEU  31          1HD1      LEU  31  -3.039   6.976  12.322
  193   HD12  LEU  31          2HD1      LEU  31  -4.175   5.677  11.955
  194   HD13  LEU  31          3HD1      LEU  31  -3.882   6.952  10.772
  195   HD21  LEU  31          1HD2      LEU  31  -1.316   5.537   9.039
  196   HD22  LEU  31          2HD2      LEU  31  -2.753   6.557   9.122
  197   HD23  LEU  31          3HD2      LEU  31  -2.920   4.804   9.021
  198    H    ILE  32           H        ILE  32   0.517   5.155  13.484
  199    HA   ILE  32           HA       ILE  32   2.527   6.855  14.121
  200    HB   ILE  32           HB       ILE  32   2.127   4.118  15.334
  201   HG12  ILE  32          1HG1      ILE  32   1.119   6.690  16.496
  202   HG13  ILE  32          2HG1      ILE  32   0.203   5.897  15.219
  203   HG21  ILE  32          1HG2      ILE  32   3.020   5.744  17.332
  204   HG22  ILE  32          2HG2      ILE  32   4.023   4.619  16.417
  205   HG23  ILE  32          3HG2      ILE  32   3.954   6.318  15.951
  206   HD11  ILE  32          1HD1      ILE  32  -0.670   5.250  17.356
  207   HD12  ILE  32          2HD1      ILE  32   0.116   3.859  16.608
  208   HD13  ILE  32          3HD1      ILE  32   0.929   4.742  17.899
  209    H    CYS  33           H        CYS  33   3.074   3.383  13.487
  210    HA   CYS  33           HA       CYS  33   5.769   3.223  13.600
  211    HB2  CYS  33           1HB      CYS  33   3.780   1.918  11.784
  212    HB3  CYS  33           2HB      CYS  33   5.497   1.630  11.519
  213    H    ALA  34           H        ALA  34   4.073   3.928  10.538
  214    HA   ALA  34           HA       ALA  34   6.070   4.478   8.848
  215    HB1  ALA  34           1HB      ALA  34   4.232   6.680   8.654
  216    HB2  ALA  34           2HB      ALA  34   4.431   5.288   7.588
  217    HB3  ALA  34           3HB      ALA  34   3.366   5.180   8.990
  218    H    ILE  35           H        ILE  35   4.888   6.786  11.281
  219    HA   ILE  35           HA       ILE  35   6.229   9.042  10.841
  220    HB   ILE  35           HB       ILE  35   6.210   7.633  13.513
  221   HG12  ILE  35          1HG1      ILE  35   3.972   7.946  12.505
  222   HG13  ILE  35          2HG1      ILE  35   4.189   8.920  13.954
  223   HG21  ILE  35          1HG2      ILE  35   6.529   9.811  14.504
  224   HG22  ILE  35          2HG2      ILE  35   7.843   9.479  13.377
  225   HG23  ILE  35          3HG2      ILE  35   6.537  10.569  12.912
  226   HD11  ILE  35          1HD1      ILE  35   4.548  10.893  12.617
  227   HD12  ILE  35          2HD1      ILE  35   4.459   9.938  11.137
  228   HD13  ILE  35          3HD1      ILE  35   3.031  10.121  12.156
  229    H    SER  36           H        SER  36   7.747   6.178  12.308
  230    HA   SER  36           HA       SER  36  10.344   7.348  12.417
  231    HB2  SER  36           1HB      SER  36   9.239   4.593  12.826
  232    HB3  SER  36           2HB      SER  36  10.982   4.811  12.672
  233    HG   SER  36           HG       SER  36   9.516   5.167  14.819
  234    H    HIS  37           H        HIS  37   8.904   4.859  10.315
  235    HA   HIS  37           HA       HIS  37  11.061   4.402   8.649
  236    HB2  HIS  37           1HB      HIS  37   8.115   4.411   7.965
  237    HB3  HIS  37           2HB      HIS  37   9.374   3.737   6.934
  238    HD2  HIS  37           2HD      HIS  37   7.635   2.940  10.363
  239    HE1  HIS  37           1HE      HIS  37   9.738  -0.499   9.042
  240    HE2  HIS  37           2HE      HIS  37   8.091   0.418  10.712
  241    H    THR  38           H        THR  38   8.329   6.571   7.891
  242    HA   THR  38           HA       THR  38   9.283   7.743   5.618
  243    HB   THR  38           HB       THR  38   8.004   9.559   7.611
  244    HG1  THR  38           1HG      THR  38   6.763   7.279   6.435
  245   HG21  THR  38          1HG2      THR  38   6.666  10.192   5.652
  246   HG22  THR  38          2HG2      THR  38   7.480   8.951   4.698
  247   HG23  THR  38          3HG2      THR  38   8.393  10.324   5.324
  248    H    HIS  39           H        HIS  39  10.117   8.565   8.949
  249    HA   HIS  39           HA       HIS  39  11.616  10.881   8.397
  250    HB2  HIS  39           1HB      HIS  39  10.912  10.432  10.652
  251    HB3  HIS  39           2HB      HIS  39  11.782   8.901  10.673
  252    HD1  HIS  39           1HD      HIS  39  14.332   8.991  11.048
  253    HD2  HIS  39           2HD      HIS  39  12.486  12.713  11.069
  254    HE1  HIS  39           1HE      HIS  39  16.046  10.586  11.966
  255    H    ARG  40           H        ARG  40  12.405   7.480   8.259
  256    HA   ARG  40           HA       ARG  40  15.239   7.992   7.912
  257    HB2  ARG  40           1HB      ARG  40  13.530   5.545   8.122
  258    HB3  ARG  40           2HB      ARG  40  15.131   5.412   7.406
  259    HG2  ARG  40           1HG      ARG  40  14.619   6.590  10.125
  260    HG3  ARG  40           2HG      ARG  40  15.007   4.891   9.846
  261    HD2  ARG  40           1HD      ARG  40  16.786   6.968   8.671
  262    HD3  ARG  40           2HD      ARG  40  16.881   6.666  10.406
  263    HE   ARG  40           HE       ARG  40  17.005   4.272   8.831
  264   HH11  ARG  40          2HH1      ARG  40  18.848   6.920  10.140
  265   HH12  ARG  40          1HH1      ARG  40  20.347   6.051  10.132
  266   HH21  ARG  40          2HH2      ARG  40  18.972   3.118   8.816
  267   HH22  ARG  40          1HH2      ARG  40  20.417   3.889   9.377
  268    H    ALA  41           H        ALA  41  12.842   8.633   5.971
  269    HA   ALA  41           HA       ALA  41  12.704   9.002   3.723
  270    HB1  ALA  41           1HB      ALA  41  14.656   9.461   2.773
  271    HB2  ALA  41           2HB      ALA  41  15.457   8.760   4.180
  272    HB3  ALA  41           3HB      ALA  41  15.109   7.756   2.772
  273    H    HIS  42           H        HIS  42  11.661   6.643   4.934
  274    HA   HIS  42           HA       HIS  42  12.145   4.499   3.022
  275    HB2  HIS  42           1HB      HIS  42  10.808   4.723   5.671
  276    HB3  HIS  42           2HB      HIS  42  10.224   3.474   4.574
  277    HD2  HIS  42           2HD      HIS  42  13.960   3.832   4.131
  278    HE1  HIS  42           1HE      HIS  42  13.401   0.757   7.001
  279    HE2  HIS  42           2HE      HIS  42  15.060   1.958   5.534
  280    H    THR  43           H        THR  43  10.904   4.116   1.309
  281    HA   THR  43           HA       THR  43   8.773   5.855   0.611
  282    HB   THR  43           HB       THR  43   9.448   3.199  -0.663
  283    HG1  THR  43           1HG      THR  43  10.584   5.778  -0.929
  284   HG21  THR  43          1HG2      THR  43   8.020   5.650  -1.700
  285   HG22  THR  43          2HG2      THR  43   7.305   4.070  -1.382
  286   HG23  THR  43          3HG2      THR  43   8.481   4.260  -2.682
  287    H    VAL  44           H        VAL  44   6.946   5.802   1.785
  288    HA   VAL  44           HA       VAL  44   5.647   3.182   2.169
  289    HB   VAL  44           HB       VAL  44   5.453   5.621   3.943
  290   HG11  VAL  44          1HG1      VAL  44   3.713   3.331   3.607
  291   HG12  VAL  44          2HG1      VAL  44   4.335   3.447   5.255
  292   HG13  VAL  44          3HG1      VAL  44   3.468   4.807   4.541
  293   HG21  VAL  44          1HG2      VAL  44   7.092   4.755   5.173
  294   HG22  VAL  44          2HG2      VAL  44   6.304   3.178   5.216
  295   HG23  VAL  44          3HG2      VAL  44   7.373   3.594   3.876
  296    H    VAL  45           H        VAL  45   3.575   2.952   1.511
  297    HA   VAL  45           HA       VAL  45   2.076   5.335   0.692
  298    HB   VAL  45           HB       VAL  45   1.429   4.374  -1.419
  299   HG11  VAL  45          1HG1      VAL  45   3.487   5.686  -1.386
  300   HG12  VAL  45          2HG1      VAL  45   4.422   4.224  -1.068
  301   HG13  VAL  45          3HG1      VAL  45   3.568   4.411  -2.601
  302   HG21  VAL  45          1HG2      VAL  45   2.933   1.985  -0.423
  303   HG22  VAL  45          2HG2      VAL  45   1.310   2.075  -1.107
  304   HG23  VAL  45          3HG2      VAL  45   2.719   2.254  -2.153
  305    HA   PRO  46           HA       PRO  46  -1.310   3.326   2.647
  306    HB2  PRO  46           1HB      PRO  46  -3.377   4.468   1.307
  307    HB3  PRO  46           2HB      PRO  46  -2.408   5.339   2.502
  308    HG2  PRO  46           1HG      PRO  46  -2.215   5.378  -0.485
  309    HG3  PRO  46           2HG      PRO  46  -2.126   6.730   0.659
  310    HD2  PRO  46           1HD      PRO  46   0.077   5.618  -0.456
  311    HD3  PRO  46           2HD      PRO  46   0.080   6.308   1.180
  312    H    LEU  47           H        LEU  47  -2.569   1.536   2.410
  313    HA   LEU  47           HA       LEU  47  -2.386   0.115  -0.103
  314    HB2  LEU  47           1HB      LEU  47  -3.348  -0.565   2.647
  315    HB3  LEU  47           2HB      LEU  47  -3.733  -1.612   1.283
  316    HG   LEU  47           HG       LEU  47  -1.213  -1.714   0.874
  317   HD11  LEU  47          1HD1      LEU  47   0.063  -0.408   2.134
  318   HD12  LEU  47          2HD1      LEU  47  -0.361  -1.419   3.514
  319   HD13  LEU  47          3HD1      LEU  47  -1.301   0.031   3.162
  320   HD21  LEU  47          1HD2      LEU  47  -0.927  -3.471   2.575
  321   HD22  LEU  47          2HD2      LEU  47  -2.473  -3.593   1.736
  322   HD23  LEU  47          3HD2      LEU  47  -2.405  -2.924   3.367
  323    H    SER  48           H        SER  48  -5.124   0.705   2.108
  324    HA   SER  48           HA       SER  48  -7.221   0.065   0.542
  325    HB2  SER  48           1HB      SER  48  -7.307   1.019   2.884
  326    HB3  SER  48           2HB      SER  48  -7.192   2.621   2.157
  327    HG   SER  48           HG       SER  48  -9.273   2.473   1.962
  328    H    GLY  49           H        GLY  49  -5.082   2.753   0.070
  329    HA2  GLY  49           1HA      GLY  49  -4.965   3.508  -2.292
  330    HA3  GLY  49           2HA      GLY  49  -6.720   3.595  -2.243
  331    HA   PRO  50           HA       PRO  50  -4.907   7.794  -1.307
  332    HB2  PRO  50           1HB      PRO  50  -6.315   9.118  -3.214
  333    HB3  PRO  50           2HB      PRO  50  -4.747   8.365  -3.527
  334    HG2  PRO  50           1HG      PRO  50  -7.494   7.338  -4.125
  335    HG3  PRO  50           2HG      PRO  50  -6.039   7.295  -5.137
  336    HD2  PRO  50           1HD      PRO  50  -6.895   5.149  -3.725
  337    HD3  PRO  50           2HD      PRO  50  -5.176   5.462  -4.038
  338    H    SER  51           H        SER  51  -5.881   9.259   0.007
  339    HA   SER  51           HA       SER  51  -8.812   9.177   0.239
  340    HB2  SER  51           1HB      SER  51  -7.440   7.898   2.067
  341    HB3  SER  51           2HB      SER  51  -7.112   9.515   2.688
  342    HG   SER  51           HG       SER  51  -9.092   8.265   3.421
  343    H    SER  52           H        SER  52  -9.648  11.079   1.522
  344    HA   SER  52           HA       SER  52  -8.047  13.474   0.898
  345    HB2  SER  52           1HB      SER  52 -11.022  13.008   0.715
  346    HB3  SER  52           2HB      SER  52 -10.326  14.628   0.746
  347    HG   SER  52           HG       SER  52  -9.295  14.221  -1.162
  348    H    GLY  53           H        GLY  53  -7.328  14.459   2.660
  349    HA2  GLY  53           1HA      GLY  53  -8.356  15.777   4.607
  350    HA3  GLY  53           2HA      GLY  53  -8.876  14.189   5.154
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -17.143   1.008  23.810
    2    HA2  GLY   1           1HA      GLY   1 -18.639  -0.605  23.120
    3    HA3  GLY   1           2HA      GLY   1 -19.847   0.660  22.949
    4    H    SER   2           H        SER   2 -16.710   0.102  21.359
    5    HA   SER   2           HA       SER   2 -17.729   0.891  18.818
    6    HB2  SER   2           1HB      SER   2 -15.132  -0.332  19.731
    7    HB3  SER   2           2HB      SER   2 -15.471  -0.061  18.022
    8    HG   SER   2           HG       SER   2 -14.387   1.664  19.440
    9    H    SER   3           H        SER   3 -19.512  -0.503  18.483
   10    HA   SER   3           HA       SER   3 -19.611  -3.237  18.596
   11    HB2  SER   3           1HB      SER   3 -20.882  -1.383  16.573
   12    HB3  SER   3           2HB      SER   3 -21.297  -3.090  16.731
   13    HG   SER   3           HG       SER   3 -22.296  -2.697  18.577
   14    H    GLY   4           H        GLY   4 -18.848  -4.923  17.446
   15    HA2  GLY   4           1HA      GLY   4 -17.510  -6.080  15.981
   16    HA3  GLY   4           2HA      GLY   4 -18.101  -4.953  14.770
   17    H    SER   5           H        SER   5 -15.768  -5.616  14.098
   18    HA   SER   5           HA       SER   5 -13.931  -3.580  15.180
   19    HB2  SER   5           1HB      SER   5 -13.293  -6.362  14.176
   20    HB3  SER   5           2HB      SER   5 -12.071  -5.135  14.513
   21    HG   SER   5           HG       SER   5 -13.326  -6.778  16.223
   22    H    SER   6           H        SER   6 -12.396  -2.693  13.666
   23    HA   SER   6           HA       SER   6 -13.259  -2.903  10.857
   24    HB2  SER   6           1HB      SER   6 -12.568  -0.410  12.420
   25    HB3  SER   6           2HB      SER   6 -12.685  -0.449  10.661
   26    HG   SER   6           HG       SER   6 -14.775  -0.409  10.830
   27    H    GLY   7           H        GLY   7 -11.546  -4.369  10.467
   28    HA2  GLY   7           1HA      GLY   7  -9.381  -3.777   9.181
   29    HA3  GLY   7           2HA      GLY   7  -8.831  -3.282  10.775
   30    H    GLU   8           H        GLU   8  -8.724  -5.727   8.596
   31    HA   GLU   8           HA       GLU   8  -8.812  -7.929  10.483
   32    HB2  GLU   8           1HB      GLU   8  -9.670  -8.292   8.232
   33    HB3  GLU   8           2HB      GLU   8  -8.116  -7.846   7.543
   34    HG2  GLU   8           1HG      GLU   8  -7.113  -9.817   8.176
   35    HG3  GLU   8           2HG      GLU   8  -8.273 -10.114   9.470
   36    H    SER   9           H        SER   9  -6.479  -5.828   9.038
   37    HA   SER   9           HA       SER   9  -4.301  -7.457  10.171
   38    HB2  SER   9           1HB      SER   9  -4.442  -6.849   7.606
   39    HB3  SER   9           2HB      SER   9  -3.776  -5.311   8.152
   40    HG   SER   9           HG       SER   9  -1.976  -6.421   7.894
   41    H    LEU  10           H        LEU  10  -3.576  -6.681  12.030
   42    HA   LEU  10           HA       LEU  10  -3.447  -3.758  12.380
   43    HB2  LEU  10           1HB      LEU  10  -4.028  -5.868  14.452
   44    HB3  LEU  10           2HB      LEU  10  -3.767  -4.160  14.802
   45    HG   LEU  10           HG       LEU  10  -6.007  -5.174  13.060
   46   HD11  LEU  10          1HD1      LEU  10  -6.001  -5.979  15.498
   47   HD12  LEU  10          2HD1      LEU  10  -7.450  -5.180  14.887
   48   HD13  LEU  10          3HD1      LEU  10  -6.317  -4.293  15.907
   49   HD21  LEU  10          1HD2      LEU  10  -5.829  -2.567  14.536
   50   HD22  LEU  10          2HD2      LEU  10  -6.882  -3.009  13.191
   51   HD23  LEU  10          3HD2      LEU  10  -5.156  -2.765  12.917
   52    H    CYS  11           H        CYS  11  -1.636  -2.908  13.391
   53    HA   CYS  11           HA       CYS  11   0.807  -4.166  12.946
   54    HB2  CYS  11           1HB      CYS  11   0.155  -1.653  13.485
   55    HB3  CYS  11           2HB      CYS  11   0.599  -2.131  15.120
   56    HA   PRO  12           HA       PRO  12   1.101  -7.020  16.306
   57    HB2  PRO  12           1HB      PRO  12   3.760  -7.530  16.115
   58    HB3  PRO  12           2HB      PRO  12   2.574  -8.180  14.978
   59    HG2  PRO  12           1HG      PRO  12   4.378  -5.810  14.683
   60    HG3  PRO  12           2HG      PRO  12   3.986  -7.071  13.500
   61    HD2  PRO  12           1HD      PRO  12   2.825  -4.625  13.461
   62    HD3  PRO  12           2HD      PRO  12   1.976  -6.094  12.937
   63    H    GLN  13           H        GLN  13   2.262  -3.907  16.293
   64    HA   GLN  13           HA       GLN  13   3.212  -4.163  19.068
   65    HB2  GLN  13           1HB      GLN  13   4.418  -2.717  16.762
   66    HB3  GLN  13           2HB      GLN  13   4.519  -1.957  18.344
   67    HG2  GLN  13           1HG      GLN  13   5.491  -4.728  17.682
   68    HG3  GLN  13           2HG      GLN  13   6.503  -3.290  17.805
   69   HE21  GLN  13          1HE2      GLN  13   4.924  -5.802  19.487
   70   HE22  GLN  13          2HE2      GLN  13   5.394  -5.342  21.084
   71    H    HIS  14           H        HIS  14   1.797  -1.985  16.650
   72    HA   HIS  14           HA       HIS  14   0.781  -0.239  18.746
   73    HB2  HIS  14           1HB      HIS  14   0.504  -0.053  15.738
   74    HB3  HIS  14           2HB      HIS  14   0.004   1.180  16.892
   75    HD2  HIS  14           2HD      HIS  14   1.987   2.903  17.689
   76    HE1  HIS  14           1HE      HIS  14   5.194   0.947  15.717
   77    HE2  HIS  14           2HE      HIS  14   4.503   2.942  17.090
   78    H    HIS  15           H        HIS  15  -0.293  -2.792  16.680
   79    HA   HIS  15           HA       HIS  15  -2.293  -3.845  16.408
   80    HB2  HIS  15           1HB      HIS  15  -3.043  -2.603  19.058
   81    HB3  HIS  15           2HB      HIS  15  -3.679  -4.086  18.353
   82    HD1  HIS  15           1HD      HIS  15  -1.493  -3.084  20.904
   83    HD2  HIS  15           2HD      HIS  15  -1.282  -5.982  17.934
   84    HE1  HIS  15           1HE      HIS  15   0.233  -4.733  21.695
   85    H    GLU  16           H        GLU  16  -2.067  -1.327  15.175
   86    HA   GLU  16           HA       GLU  16  -4.828  -0.316  15.383
   87    HB2  GLU  16           1HB      GLU  16  -2.297   1.134  14.599
   88    HB3  GLU  16           2HB      GLU  16  -3.908   1.809  14.404
   89    HG2  GLU  16           1HG      GLU  16  -2.833   0.889  17.052
   90    HG3  GLU  16           2HG      GLU  16  -2.639   2.534  16.450
   91    H    ALA  17           H        ALA  17  -5.923   0.212  13.453
   92    HA   ALA  17           HA       ALA  17  -5.766  -1.582  11.382
   93    HB1  ALA  17           1HB      ALA  17  -7.124   0.018  10.074
   94    HB2  ALA  17           2HB      ALA  17  -7.718  -0.210  11.720
   95    HB3  ALA  17           3HB      ALA  17  -6.812   1.244  11.303
   96    H    LEU  18           H        LEU  18  -4.170  -1.976  10.006
   97    HA   LEU  18           HA       LEU  18  -2.076  -0.135   9.469
   98    HB2  LEU  18           1HB      LEU  18  -2.811  -2.663   8.001
   99    HB3  LEU  18           2HB      LEU  18  -1.276  -1.805   7.884
  100    HG   LEU  18           HG       LEU  18  -2.310  -3.090  10.409
  101   HD11  LEU  18          1HD1      LEU  18  -1.851  -5.001   9.316
  102   HD12  LEU  18          2HD1      LEU  18  -0.179  -4.574   9.674
  103   HD13  LEU  18          3HD1      LEU  18  -0.867  -4.194   8.095
  104   HD21  LEU  18          1HD2      LEU  18  -0.630  -1.150  10.476
  105   HD22  LEU  18          2HD2      LEU  18   0.513  -2.297   9.777
  106   HD23  LEU  18          3HD2      LEU  18  -0.223  -2.630  11.345
  107    H    SER  19           H        SER  19  -2.308   1.623   8.263
  108    HA   SER  19           HA       SER  19  -3.988   1.454   5.846
  109    HB2  SER  19           1HB      SER  19  -4.042   4.040   6.149
  110    HB3  SER  19           2HB      SER  19  -5.066   3.041   7.181
  111    HG   SER  19           HG       SER  19  -3.933   3.622   8.861
  112    H    LEU  20           H        LEU  20  -0.944   1.166   6.593
  113    HA   LEU  20           HA       LEU  20  -0.027   2.413   4.131
  114    HB2  LEU  20           1HB      LEU  20   1.197   2.992   6.822
  115    HB3  LEU  20           2HB      LEU  20   1.963   3.373   5.281
  116    HG   LEU  20           HG       LEU  20  -0.718   4.495   6.054
  117   HD11  LEU  20          1HD1      LEU  20   1.982   5.745   6.537
  118   HD12  LEU  20          2HD1      LEU  20   0.921   5.094   7.785
  119   HD13  LEU  20          3HD1      LEU  20   0.411   6.489   6.834
  120   HD21  LEU  20          1HD2      LEU  20  -0.008   6.254   4.437
  121   HD22  LEU  20          2HD2      LEU  20  -0.227   4.658   3.718
  122   HD23  LEU  20          3HD2      LEU  20   1.397   5.261   4.049
  123    H    PHE  21           H        PHE  21   1.965   1.552   3.351
  124    HA   PHE  21           HA       PHE  21   3.002  -0.795   4.761
  125    HB2  PHE  21           1HB      PHE  21   1.423  -1.794   3.277
  126    HB3  PHE  21           2HB      PHE  21   1.934  -0.771   1.939
  127    HD1  PHE  21           2HD      PHE  21   4.049  -1.201   0.785
  128    HD2  PHE  21           1HD      PHE  21   2.628  -3.769   3.867
  129    HE1  PHE  21           2HE      PHE  21   5.630  -2.941   0.059
  130    HE2  PHE  21           1HE      PHE  21   4.207  -5.513   3.147
  131    HZ   PHE  21           HZ       PHE  21   5.710  -5.100   1.239
  132    H    CYS  22           H        CYS  22   5.120  -0.562   4.942
  133    HA   CYS  22           HA       CYS  22   6.582   1.323   3.364
  134    HB2  CYS  22           1HB      CYS  22   7.000   0.660   5.812
  135    HB3  CYS  22           2HB      CYS  22   7.809  -0.761   5.159
  136    H    TYR  23           H        TYR  23   7.477   0.988   1.448
  137    HA   TYR  23           HA       TYR  23   7.416  -1.515   0.142
  138    HB2  TYR  23           1HB      TYR  23   8.456   1.195  -0.474
  139    HB3  TYR  23           2HB      TYR  23   9.153  -0.141  -1.384
  140    HD1  TYR  23           1HD      TYR  23   7.338  -1.833  -2.361
  141    HD2  TYR  23           2HD      TYR  23   6.590   2.230  -1.346
  142    HE1  TYR  23           1HE      TYR  23   5.399  -1.819  -3.874
  143    HE2  TYR  23           2HE      TYR  23   4.648   2.256  -2.856
  144    HH   TYR  23           HH       TYR  23   3.718  -0.636  -4.701
  145    H    GLU  24           H        GLU  24  10.272   0.437   1.027
  146    HA   GLU  24           HA       GLU  24  12.271  -1.316   0.525
  147    HB2  GLU  24           1HB      GLU  24  12.324   1.049   1.612
  148    HB3  GLU  24           2HB      GLU  24  12.298   0.168   3.133
  149    HG2  GLU  24           1HG      GLU  24  14.547   0.477   2.793
  150    HG3  GLU  24           2HG      GLU  24  14.296  -1.135   2.128
  151    H    ASP  25           H        ASP  25  10.762  -1.080   3.751
  152    HA   ASP  25           HA       ASP  25  11.909  -3.474   4.711
  153    HB2  ASP  25           1HB      ASP  25   9.428  -2.038   5.680
  154    HB3  ASP  25           2HB      ASP  25  10.328  -3.257   6.577
  155    H    GLN  26           H        GLN  26   9.363  -2.931   2.553
  156    HA   GLN  26           HA       GLN  26   7.712  -4.234   1.667
  157    HB2  GLN  26           1HB      GLN  26  10.018  -5.474   1.268
  158    HB3  GLN  26           2HB      GLN  26   9.294  -6.676   2.328
  159    HG2  GLN  26           1HG      GLN  26   8.599  -7.488   0.333
  160    HG3  GLN  26           2HG      GLN  26   7.260  -6.391   0.666
  161   HE21  GLN  26          1HE2      GLN  26   7.192  -4.380  -0.415
  162   HE22  GLN  26          2HE2      GLN  26   8.026  -4.144  -1.910
  163    H    GLU  27           H        GLU  27   7.014  -3.562   4.171
  164    HA   GLU  27           HA       GLU  27   5.464  -5.867   5.006
  165    HB2  GLU  27           1HB      GLU  27   6.247  -6.059   7.173
  166    HB3  GLU  27           2HB      GLU  27   7.733  -5.733   6.292
  167    HG2  GLU  27           1HG      GLU  27   7.669  -3.416   6.956
  168    HG3  GLU  27           2HG      GLU  27   6.113  -3.657   7.747
  169    H    ALA  28           H        ALA  28   3.561  -5.332   6.047
  170    HA   ALA  28           HA       ALA  28   2.578  -2.699   5.600
  171    HB1  ALA  28           1HB      ALA  28   0.500  -3.501   6.270
  172    HB2  ALA  28           2HB      ALA  28   1.289  -4.927   5.596
  173    HB3  ALA  28           3HB      ALA  28   1.204  -4.710   7.345
  174    H    VAL  29           H        VAL  29   2.259  -1.027   6.982
  175    HA   VAL  29           HA       VAL  29   2.895  -1.416   9.822
  176    HB   VAL  29           HB       VAL  29   4.205   0.658   9.869
  177   HG11  VAL  29          1HG1      VAL  29   6.023  -0.338   8.110
  178   HG12  VAL  29          2HG1      VAL  29   5.782  -0.937   9.752
  179   HG13  VAL  29          3HG1      VAL  29   5.002  -1.748   8.392
  180   HG21  VAL  29          1HG2      VAL  29   3.024   1.483   7.703
  181   HG22  VAL  29          2HG2      VAL  29   4.695   1.952   8.016
  182   HG23  VAL  29          3HG2      VAL  29   4.343   0.648   6.882
  183    H    CYS  30           H        CYS  30   2.107   0.310  11.207
  184    HA   CYS  30           HA       CYS  30  -0.458   1.296  10.277
  185    HB2  CYS  30           1HB      CYS  30  -0.877   1.861  12.600
  186    HB3  CYS  30           2HB      CYS  30  -0.235   0.224  12.502
  187    H    LEU  31           H        LEU  31  -1.004   3.580  11.354
  188    HA   LEU  31           HA       LEU  31   0.376   5.499   9.850
  189    HB2  LEU  31           1HB      LEU  31  -1.943   5.738  10.644
  190    HB3  LEU  31           2HB      LEU  31  -1.343   5.926  12.290
  191    HG   LEU  31           HG       LEU  31  -0.435   7.825  10.170
  192   HD11  LEU  31          1HD1      LEU  31  -2.465   9.207  11.203
  193   HD12  LEU  31          2HD1      LEU  31  -3.165   7.590  11.286
  194   HD13  LEU  31          3HD1      LEU  31  -2.620   8.237   9.738
  195   HD21  LEU  31          1HD2      LEU  31  -0.151   7.535  12.985
  196   HD22  LEU  31          2HD2      LEU  31  -1.054   9.016  12.663
  197   HD23  LEU  31          3HD2      LEU  31   0.531   8.770  11.927
  198    H    ILE  32           H        ILE  32   0.554   4.707  13.305
  199    HA   ILE  32           HA       ILE  32   2.350   6.696  14.079
  200    HB   ILE  32           HB       ILE  32   2.128   3.898  15.195
  201   HG12  ILE  32          1HG1      ILE  32   0.835   6.372  16.316
  202   HG13  ILE  32          2HG1      ILE  32   0.032   5.409  15.081
  203   HG21  ILE  32          1HG2      ILE  32   3.001   4.959  17.271
  204   HG22  ILE  32          2HG2      ILE  32   4.160   4.922  15.944
  205   HG23  ILE  32          3HG2      ILE  32   3.317   6.420  16.335
  206   HD11  ILE  32          1HD1      ILE  32   0.363   3.431  16.639
  207   HD12  ILE  32          2HD1      ILE  32   0.768   4.622  17.875
  208   HD13  ILE  32          3HD1      ILE  32  -0.823   4.646  17.115
  209    H    CYS  33           H        CYS  33   2.955   3.436  12.826
  210    HA   CYS  33           HA       CYS  33   5.725   3.377  13.127
  211    HB2  CYS  33           1HB      CYS  33   3.798   2.021  11.282
  212    HB3  CYS  33           2HB      CYS  33   5.526   1.857  10.984
  213    H    ALA  34           H        ALA  34   3.832   4.345  10.266
  214    HA   ALA  34           HA       ALA  34   5.645   4.975   8.423
  215    HB1  ALA  34           1HB      ALA  34   3.993   6.119   7.463
  216    HB2  ALA  34           2HB      ALA  34   3.045   5.772   8.909
  217    HB3  ALA  34           3HB      ALA  34   3.934   7.290   8.782
  218    H    ILE  35           H        ILE  35   4.881   7.167  11.129
  219    HA   ILE  35           HA       ILE  35   6.427   9.301  10.734
  220    HB   ILE  35           HB       ILE  35   6.332   7.721  13.305
  221   HG12  ILE  35          1HG1      ILE  35   4.807  10.226  12.614
  222   HG13  ILE  35          2HG1      ILE  35   4.182   8.627  12.225
  223   HG21  ILE  35          1HG2      ILE  35   6.883   9.956  14.345
  224   HG22  ILE  35          2HG2      ILE  35   8.202   9.154  13.494
  225   HG23  ILE  35          3HG2      ILE  35   7.346  10.492  12.730
  226   HD11  ILE  35          1HD1      ILE  35   3.962   8.045  14.476
  227   HD12  ILE  35          2HD1      ILE  35   5.003   9.366  15.009
  228   HD13  ILE  35          3HD1      ILE  35   3.391   9.711  14.382
  229    H    SER  36           H        SER  36   7.781   6.404  12.325
  230    HA   SER  36           HA       SER  36  10.441   7.205  12.286
  231    HB2  SER  36           1HB      SER  36  11.009   4.897  12.693
  232    HB3  SER  36           2HB      SER  36   9.506   5.247  13.547
  233    HG   SER  36           HG       SER  36   9.876   3.797  11.149
  234    H    HIS  37           H        HIS  37   8.801   5.033   9.981
  235    HA   HIS  37           HA       HIS  37  10.873   4.632   8.211
  236    HB2  HIS  37           1HB      HIS  37   7.918   4.902   7.628
  237    HB3  HIS  37           2HB      HIS  37   9.101   4.281   6.479
  238    HD2  HIS  37           2HD      HIS  37   6.612   2.813   8.709
  239    HE1  HIS  37           1HE      HIS  37   9.860   0.092   8.919
  240    HE2  HIS  37           2HE      HIS  37   7.398   0.428   9.328
  241    H    THR  38           H        THR  38   8.248   6.975   7.624
  242    HA   THR  38           HA       THR  38   9.323   8.330   5.513
  243    HB   THR  38           HB       THR  38   8.078  10.361   6.348
  244    HG1  THR  38           1HG      THR  38   8.045  10.201   8.521
  245   HG21  THR  38          1HG2      THR  38   5.820   8.992   6.456
  246   HG22  THR  38          2HG2      THR  38   6.872   7.664   5.965
  247   HG23  THR  38          3HG2      THR  38   6.748   9.108   4.961
  248    H    HIS  39           H        HIS  39  10.356   8.425   8.813
  249    HA   HIS  39           HA       HIS  39  11.898  10.852   8.515
  250    HB2  HIS  39           1HB      HIS  39  11.351   8.916  10.709
  251    HB3  HIS  39           2HB      HIS  39  12.840   9.852  10.807
  252    HD1  HIS  39           1HD      HIS  39  12.246  11.461  12.634
  253    HD2  HIS  39           2HD      HIS  39   9.364  11.313   9.645
  254    HE1  HIS  39           1HE      HIS  39  10.637  13.321  13.159
  255    H    ARG  40           H        ARG  40  12.487   7.376   8.565
  256    HA   ARG  40           HA       ARG  40  15.351   7.734   8.289
  257    HB2  ARG  40           1HB      ARG  40  13.541   5.341   8.481
  258    HB3  ARG  40           2HB      ARG  40  15.226   5.166   8.011
  259    HG2  ARG  40           1HG      ARG  40  14.529   6.652  10.503
  260    HG3  ARG  40           2HG      ARG  40  14.534   4.887  10.495
  261    HD2  ARG  40           1HD      ARG  40  16.872   6.399   9.407
  262    HD3  ARG  40           2HD      ARG  40  16.691   6.191  11.148
  263    HE   ARG  40           HE       ARG  40  16.450   3.736   9.688
  264   HH11  ARG  40          2HH1      ARG  40  18.688   5.989  11.115
  265   HH12  ARG  40          1HH1      ARG  40  19.942   4.813  11.324
  266   HH21  ARG  40          2HH2      ARG  40  18.094   2.177   9.958
  267   HH22  ARG  40          1HH2      ARG  40  19.604   2.645  10.665
  268    H    ALA  41           H        ALA  41  13.483   8.727   6.210
  269    HA   ALA  41           HA       ALA  41  13.331   8.848   3.941
  270    HB1  ALA  41           1HB      ALA  41  15.813   9.087   4.285
  271    HB2  ALA  41           2HB      ALA  41  15.955   7.376   3.882
  272    HB3  ALA  41           3HB      ALA  41  15.318   8.511   2.693
  273    H    HIS  42           H        HIS  42  11.939   6.727   5.080
  274    HA   HIS  42           HA       HIS  42  12.368   4.496   3.215
  275    HB2  HIS  42           1HB      HIS  42  11.217   4.713   5.949
  276    HB3  HIS  42           2HB      HIS  42  10.515   3.508   4.874
  277    HD2  HIS  42           2HD      HIS  42  14.265   3.830   4.295
  278    HE1  HIS  42           1HE      HIS  42  13.714   0.565   6.947
  279    HE2  HIS  42           2HE      HIS  42  15.361   1.840   5.531
  280    H    THR  43           H        THR  43  10.934   4.048   1.656
  281    HA   THR  43           HA       THR  43   8.803   5.902   1.145
  282    HB   THR  43           HB       THR  43   9.490   3.345  -0.317
  283    HG1  THR  43           1HG      THR  43  10.452   4.959  -1.800
  284   HG21  THR  43          1HG2      THR  43   7.850   5.731  -1.181
  285   HG22  THR  43          2HG2      THR  43   7.211   4.142  -0.757
  286   HG23  THR  43          3HG2      THR  43   8.243   4.329  -2.175
  287    H    VAL  44           H        VAL  44   6.727   5.722   1.686
  288    HA   VAL  44           HA       VAL  44   5.634   3.073   2.322
  289    HB   VAL  44           HB       VAL  44   5.099   5.496   4.040
  290   HG11  VAL  44          1HG1      VAL  44   4.568   2.610   4.684
  291   HG12  VAL  44          2HG1      VAL  44   3.913   4.052   5.463
  292   HG13  VAL  44          3HG1      VAL  44   3.392   3.613   3.835
  293   HG21  VAL  44          1HG2      VAL  44   6.490   4.340   5.747
  294   HG22  VAL  44          2HG2      VAL  44   6.993   3.195   4.503
  295   HG23  VAL  44          3HG2      VAL  44   7.408   4.902   4.349
  296    H    VAL  45           H        VAL  45   3.691   2.719   1.445
  297    HA   VAL  45           HA       VAL  45   2.131   5.042   0.522
  298    HB   VAL  45           HB       VAL  45   1.442   3.812  -1.449
  299   HG11  VAL  45          1HG1      VAL  45   4.429   3.548  -1.345
  300   HG12  VAL  45          2HG1      VAL  45   3.405   4.026  -2.701
  301   HG13  VAL  45          3HG1      VAL  45   3.640   5.125  -1.340
  302   HG21  VAL  45          1HG2      VAL  45   1.388   1.566  -0.840
  303   HG22  VAL  45          2HG2      VAL  45   2.757   1.649  -1.949
  304   HG23  VAL  45          3HG2      VAL  45   3.034   1.597  -0.208
  305    HA   PRO  46           HA       PRO  46  -1.303   3.338   2.667
  306    HB2  PRO  46           1HB      PRO  46  -3.349   4.256   1.137
  307    HB3  PRO  46           2HB      PRO  46  -2.402   5.301   2.201
  308    HG2  PRO  46           1HG      PRO  46  -2.160   4.888  -0.754
  309    HG3  PRO  46           2HG      PRO  46  -2.091   6.397   0.173
  310    HD2  PRO  46           1HD      PRO  46   0.131   5.137  -0.725
  311    HD3  PRO  46           2HD      PRO  46   0.106   6.067   0.786
  312    H    LEU  47           H        LEU  47  -2.671   1.586   2.659
  313    HA   LEU  47           HA       LEU  47  -2.469  -0.171   0.339
  314    HB2  LEU  47           1HB      LEU  47  -3.371  -0.604   3.175
  315    HB3  LEU  47           2HB      LEU  47  -3.536  -1.833   1.922
  316    HG   LEU  47           HG       LEU  47  -1.592  -2.504   2.923
  317   HD11  LEU  47          1HD1      LEU  47  -0.423  -0.466   1.049
  318   HD12  LEU  47          2HD1      LEU  47  -1.246  -1.921   0.488
  319   HD13  LEU  47          3HD1      LEU  47   0.212  -2.056   1.471
  320   HD21  LEU  47          1HD2      LEU  47   0.082  -0.310   3.315
  321   HD22  LEU  47          2HD2      LEU  47  -0.792  -1.218   4.549
  322   HD23  LEU  47          3HD2      LEU  47  -1.513   0.228   3.841
  323    H    SER  48           H        SER  48  -5.069   0.668   2.637
  324    HA   SER  48           HA       SER  48  -7.071   0.052   0.637
  325    HB2  SER  48           1HB      SER  48  -7.371   1.078   3.470
  326    HB3  SER  48           2HB      SER  48  -8.690   0.531   2.436
  327    HG   SER  48           HG       SER  48  -7.350  -1.499   2.328
  328    H    GLY  49           H        GLY  49  -5.219   2.364   0.307
  329    HA2  GLY  49           1HA      GLY  49  -5.623   4.319  -0.938
  330    HA3  GLY  49           2HA      GLY  49  -7.283   4.317  -0.362
  331    HA   PRO  50           HA       PRO  50  -4.273   7.070   2.213
  332    HB2  PRO  50           1HB      PRO  50  -4.325   9.394   0.811
  333    HB3  PRO  50           2HB      PRO  50  -3.096   8.149   0.561
  334    HG2  PRO  50           1HG      PRO  50  -5.575   8.709  -1.021
  335    HG3  PRO  50           2HG      PRO  50  -3.944   8.322  -1.598
  336    HD2  PRO  50           1HD      PRO  50  -5.926   6.481  -1.491
  337    HD3  PRO  50           2HD      PRO  50  -4.219   6.061  -1.244
  338    H    SER  51           H        SER  51  -5.544   7.583   3.879
  339    HA   SER  51           HA       SER  51  -7.879   9.307   3.374
  340    HB2  SER  51           1HB      SER  51  -7.657   6.938   5.234
  341    HB3  SER  51           2HB      SER  51  -8.940   8.141   5.368
  342    HG   SER  51           HG       SER  51  -8.685   6.078   3.625
  343    H    SER  52           H        SER  52  -8.450  10.750   5.085
  344    HA   SER  52           HA       SER  52  -6.755  11.044   7.379
  345    HB2  SER  52           1HB      SER  52  -6.423  12.845   5.001
  346    HB3  SER  52           2HB      SER  52  -6.161  13.476   6.626
  347    HG   SER  52           HG       SER  52  -4.869  11.214   6.546
  348    H    GLY  53           H        GLY  53  -7.565  12.530   8.894
  349    HA2  GLY  53           1HA      GLY  53 -10.322  12.820   9.013
  350    HA3  GLY  53           2HA      GLY  53  -9.182  13.762   9.963
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -12.089 -22.614  25.402
    2    HA2  GLY   1           1HA      GLY   1 -13.382 -23.638  23.314
    3    HA3  GLY   1           2HA      GLY   1 -13.016 -21.920  23.378
    4    H    SER   2           H        SER   2 -12.968 -24.399  21.355
    5    HA   SER   2           HA       SER   2 -10.388 -23.733  20.119
    6    HB2  SER   2           1HB      SER   2 -11.074 -26.160  20.607
    7    HB3  SER   2           2HB      SER   2 -12.212 -25.980  19.272
    8    HG   SER   2           HG       SER   2 -10.544 -26.534  18.112
    9    H    SER   3           H        SER   3 -10.926 -21.791  19.132
   10    HA   SER   3           HA       SER   3 -12.178 -22.008  16.580
   11    HB2  SER   3           1HB      SER   3 -13.658 -20.665  18.825
   12    HB3  SER   3           2HB      SER   3 -13.868 -20.119  17.161
   13    HG   SER   3           HG       SER   3 -15.356 -21.651  17.271
   14    H    GLY   4           H        GLY   4 -11.361 -20.512  15.225
   15    HA2  GLY   4           1HA      GLY   4  -9.487 -18.582  16.342
   16    HA3  GLY   4           2HA      GLY   4  -9.660 -19.008  14.645
   17    H    SER   5           H        SER   5  -9.364 -16.419  15.148
   18    HA   SER   5           HA       SER   5 -12.033 -15.338  14.595
   19    HB2  SER   5           1HB      SER   5 -11.678 -14.806  16.921
   20    HB3  SER   5           2HB      SER   5 -10.054 -14.205  16.584
   21    HG   SER   5           HG       SER   5 -12.516 -12.996  16.192
   22    H    SER   6           H        SER   6 -12.037 -14.215  12.771
   23    HA   SER   6           HA       SER   6  -9.480 -13.352  11.638
   24    HB2  SER   6           1HB      SER   6 -12.161 -14.024  10.501
   25    HB3  SER   6           2HB      SER   6 -11.126 -12.908   9.610
   26    HG   SER   6           HG       SER   6  -9.854 -14.506   9.096
   27    H    GLY   7           H        GLY   7  -8.965 -11.261  11.273
   28    HA2  GLY   7           1HA      GLY   7 -11.027  -9.204  11.506
   29    HA3  GLY   7           2HA      GLY   7  -9.723  -9.158  12.683
   30    H    GLU   8           H        GLU   8  -9.451  -6.981  11.692
   31    HA   GLU   8           HA       GLU   8  -8.285  -6.917   9.041
   32    HB2  GLU   8           1HB      GLU   8  -9.797  -5.117  10.152
   33    HB3  GLU   8           2HB      GLU   8  -8.316  -4.597  10.944
   34    HG2  GLU   8           1HG      GLU   8  -7.277  -4.347   8.701
   35    HG3  GLU   8           2HG      GLU   8  -8.847  -4.708   7.986
   36    H    SER   9           H        SER   9  -6.165  -6.202   8.572
   37    HA   SER   9           HA       SER   9  -4.158  -7.311  10.197
   38    HB2  SER   9           1HB      SER   9  -3.713  -5.199   8.084
   39    HB3  SER   9           2HB      SER   9  -2.594  -6.458   8.606
   40    HG   SER   9           HG       SER   9  -3.455  -7.690   7.156
   41    H    LEU  10           H        LEU  10  -3.752  -6.561  12.181
   42    HA   LEU  10           HA       LEU  10  -3.496  -3.651  12.550
   43    HB2  LEU  10           1HB      LEU  10  -4.196  -5.850  14.477
   44    HB3  LEU  10           2HB      LEU  10  -3.752  -4.227  15.003
   45    HG   LEU  10           HG       LEU  10  -6.059  -4.732  13.141
   46   HD11  LEU  10          1HD1      LEU  10  -6.200  -5.974  15.379
   47   HD12  LEU  10          2HD1      LEU  10  -7.543  -4.924  14.927
   48   HD13  LEU  10          3HD1      LEU  10  -6.349  -4.373  16.103
   49   HD21  LEU  10          1HD2      LEU  10  -5.454  -2.471  13.106
   50   HD22  LEU  10          2HD2      LEU  10  -5.120  -2.440  14.838
   51   HD23  LEU  10          3HD2      LEU  10  -6.784  -2.553  14.262
   52    H    CYS  11           H        CYS  11  -1.674  -2.799  13.484
   53    HA   CYS  11           HA       CYS  11   0.769  -4.039  13.077
   54    HB2  CYS  11           1HB      CYS  11   0.174  -1.545  13.563
   55    HB3  CYS  11           2HB      CYS  11   0.439  -1.991  15.246
   56    HA   PRO  12           HA       PRO  12   1.031  -6.935  16.408
   57    HB2  PRO  12           1HB      PRO  12   3.679  -7.488  16.182
   58    HB3  PRO  12           2HB      PRO  12   2.468  -8.111  15.055
   59    HG2  PRO  12           1HG      PRO  12   4.309  -5.770  14.753
   60    HG3  PRO  12           2HG      PRO  12   3.881  -7.017  13.567
   61    HD2  PRO  12           1HD      PRO  12   2.761  -4.552  13.557
   62    HD3  PRO  12           2HD      PRO  12   1.881  -6.002  13.035
   63    H    GLN  13           H        GLN  13   2.212  -3.839  16.414
   64    HA   GLN  13           HA       GLN  13   3.215  -4.132  19.167
   65    HB2  GLN  13           1HB      GLN  13   5.087  -3.649  17.670
   66    HB3  GLN  13           2HB      GLN  13   4.242  -2.239  17.045
   67    HG2  GLN  13           1HG      GLN  13   5.782  -1.376  18.560
   68    HG3  GLN  13           2HG      GLN  13   4.254  -1.376  19.438
   69   HE21  GLN  13          1HE2      GLN  13   7.459  -2.159  19.602
   70   HE22  GLN  13          2HE2      GLN  13   7.411  -3.265  20.928
   71    H    HIS  14           H        HIS  14   1.627  -2.042  16.803
   72    HA   HIS  14           HA       HIS  14   0.678  -0.298  18.954
   73    HB2  HIS  14           1HB      HIS  14   0.451  -0.013  15.950
   74    HB3  HIS  14           2HB      HIS  14  -0.105   1.172  17.128
   75    HD2  HIS  14           2HD      HIS  14   1.998   2.530  18.514
   76    HE1  HIS  14           1HE      HIS  14   4.985   1.358  15.738
   77    HE2  HIS  14           2HE      HIS  14   4.441   2.820  17.715
   78    H    HIS  15           H        HIS  15  -0.375  -2.803  16.834
   79    HA   HIS  15           HA       HIS  15  -2.365  -3.868  16.544
   80    HB2  HIS  15           1HB      HIS  15  -2.696  -2.685  19.287
   81    HB3  HIS  15           2HB      HIS  15  -4.000  -3.602  18.539
   82    HD1  HIS  15           1HD      HIS  15  -3.960  -5.716  19.867
   83    HD2  HIS  15           2HD      HIS  15  -0.185  -4.629  18.514
   84    HE1  HIS  15           1HE      HIS  15  -2.456  -7.645  20.449
   85    H    GLU  16           H        GLU  16  -2.067  -1.289  15.358
   86    HA   GLU  16           HA       GLU  16  -4.842  -0.300  15.442
   87    HB2  GLU  16           1HB      GLU  16  -2.224   1.079  15.122
   88    HB3  GLU  16           2HB      GLU  16  -3.592   1.721  14.224
   89    HG2  GLU  16           1HG      GLU  16  -3.614   1.246  17.192
   90    HG3  GLU  16           2HG      GLU  16  -3.194   2.785  16.441
   91    H    ALA  17           H        ALA  17  -5.574   0.674  13.329
   92    HA   ALA  17           HA       ALA  17  -5.589  -1.258  11.320
   93    HB1  ALA  17           1HB      ALA  17  -6.116   1.648  10.782
   94    HB2  ALA  17           2HB      ALA  17  -6.873   0.233  10.051
   95    HB3  ALA  17           3HB      ALA  17  -7.231   0.658  11.724
   96    H    LEU  18           H        LEU  18  -4.095  -1.835   9.897
   97    HA   LEU  18           HA       LEU  18  -1.773  -0.153   9.460
   98    HB2  LEU  18           1HB      LEU  18  -2.460  -2.906   8.444
   99    HB3  LEU  18           2HB      LEU  18  -0.925  -2.084   8.172
  100    HG   LEU  18           HG       LEU  18  -1.958  -2.756  10.919
  101   HD11  LEU  18          1HD1      LEU  18  -0.406  -4.409   8.971
  102   HD12  LEU  18          2HD1      LEU  18  -1.744  -4.877  10.020
  103   HD13  LEU  18          3HD1      LEU  18  -0.145  -4.588  10.706
  104   HD21  LEU  18          1HD2      LEU  18  -0.194  -0.974  10.581
  105   HD22  LEU  18          2HD2      LEU  18   0.862  -2.260   9.997
  106   HD23  LEU  18          3HD2      LEU  18   0.242  -2.308  11.649
  107    H    SER  19           H        SER  19  -3.066   1.517   8.356
  108    HA   SER  19           HA       SER  19  -3.987   0.852   5.677
  109    HB2  SER  19           1HB      SER  19  -5.073   2.521   7.414
  110    HB3  SER  19           2HB      SER  19  -3.924   3.658   6.710
  111    HG   SER  19           HG       SER  19  -5.767   2.103   5.214
  112    H    LEU  20           H        LEU  20  -1.118   0.754   6.435
  113    HA   LEU  20           HA       LEU  20  -0.126   2.314   4.188
  114    HB2  LEU  20           1HB      LEU  20   0.875   2.602   7.009
  115    HB3  LEU  20           2HB      LEU  20   1.838   3.060   5.606
  116    HG   LEU  20           HG       LEU  20  -0.831   4.258   6.345
  117   HD11  LEU  20          1HD1      LEU  20   0.272   5.537   7.778
  118   HD12  LEU  20          2HD1      LEU  20   1.244   6.154   6.442
  119   HD13  LEU  20          3HD1      LEU  20   1.795   4.753   7.360
  120   HD21  LEU  20          1HD2      LEU  20  -0.624   4.488   4.032
  121   HD22  LEU  20          2HD2      LEU  20   1.119   4.743   4.118
  122   HD23  LEU  20          3HD2      LEU  20   0.014   6.005   4.667
  123    H    PHE  21           H        PHE  21   2.009   1.646   3.486
  124    HA   PHE  21           HA       PHE  21   3.009  -0.858   4.599
  125    HB2  PHE  21           1HB      PHE  21   1.495  -1.698   2.951
  126    HB3  PHE  21           2HB      PHE  21   2.046  -0.527   1.757
  127    HD1  PHE  21           1HD      PHE  21   2.814  -3.660   3.479
  128    HD2  PHE  21           2HD      PHE  21   4.104  -0.857   0.547
  129    HE1  PHE  21           1HE      PHE  21   4.449  -5.296   2.639
  130    HE2  PHE  21           2HE      PHE  21   5.740  -2.489  -0.299
  131    HZ   PHE  21           HZ       PHE  21   5.913  -4.712   0.747
  132    H    CYS  22           H        CYS  22   5.157  -0.839   4.689
  133    HA   CYS  22           HA       CYS  22   6.603   1.293   3.338
  134    HB2  CYS  22           1HB      CYS  22   6.980   0.813   5.755
  135    HB3  CYS  22           2HB      CYS  22   7.627  -0.762   5.308
  136    H    TYR  23           H        TYR  23   7.622   1.002   1.477
  137    HA   TYR  23           HA       TYR  23   7.739  -1.502   0.171
  138    HB2  TYR  23           1HB      TYR  23   8.683   1.254  -0.397
  139    HB3  TYR  23           2HB      TYR  23   9.481  -0.049  -1.270
  140    HD1  TYR  23           1HD      TYR  23   8.071  -1.613  -2.664
  141    HD2  TYR  23           2HD      TYR  23   6.538   2.002  -1.027
  142    HE1  TYR  23           1HE      TYR  23   6.210  -1.682  -4.271
  143    HE2  TYR  23           2HE      TYR  23   4.672   1.942  -2.628
  144    HH   TYR  23           HH       TYR  23   3.652   0.777  -4.224
  145    H    GLU  24           H        GLU  24  10.439   0.585   1.222
  146    HA   GLU  24           HA       GLU  24  12.587  -0.946   0.817
  147    HB2  GLU  24           1HB      GLU  24  12.354   1.272   2.143
  148    HB3  GLU  24           2HB      GLU  24  12.242   0.233   3.557
  149    HG2  GLU  24           1HG      GLU  24  14.528   1.162   2.974
  150    HG3  GLU  24           2HG      GLU  24  14.418  -0.569   3.289
  151    H    ASP  25           H        ASP  25  10.717  -1.230   3.843
  152    HA   ASP  25           HA       ASP  25  11.989  -3.704   4.537
  153    HB2  ASP  25           1HB      ASP  25   9.485  -2.524   5.750
  154    HB3  ASP  25           2HB      ASP  25  10.584  -3.687   6.486
  155    H    GLN  26           H        GLN  26   9.105  -2.770   2.847
  156    HA   GLN  26           HA       GLN  26   7.597  -3.977   1.641
  157    HB2  GLN  26           1HB      GLN  26   9.832  -5.355   1.257
  158    HB3  GLN  26           2HB      GLN  26   8.974  -6.559   2.210
  159    HG2  GLN  26           1HG      GLN  26   8.701  -6.883  -0.207
  160    HG3  GLN  26           2HG      GLN  26   7.170  -6.604   0.622
  161   HE21  GLN  26          1HE2      GLN  26   9.536  -4.145  -0.175
  162   HE22  GLN  26          2HE2      GLN  26   8.555  -3.302  -1.319
  163    H    GLU  27           H        GLU  27   7.149  -3.480   4.380
  164    HA   GLU  27           HA       GLU  27   5.400  -5.752   5.015
  165    HB2  GLU  27           1HB      GLU  27   5.984  -5.731   7.316
  166    HB3  GLU  27           2HB      GLU  27   7.498  -5.761   6.422
  167    HG2  GLU  27           1HG      GLU  27   7.353  -3.162   6.691
  168    HG3  GLU  27           2HG      GLU  27   6.291  -3.574   8.037
  169    H    ALA  28           H        ALA  28   3.456  -5.233   6.015
  170    HA   ALA  28           HA       ALA  28   2.465  -2.607   5.479
  171    HB1  ALA  28           1HB      ALA  28   0.345  -3.427   6.225
  172    HB2  ALA  28           2HB      ALA  28   1.116  -4.693   5.269
  173    HB3  ALA  28           3HB      ALA  28   1.102  -4.802   7.029
  174    H    VAL  29           H        VAL  29   2.596  -0.889   6.753
  175    HA   VAL  29           HA       VAL  29   3.008  -1.305   9.642
  176    HB   VAL  29           HB       VAL  29   4.145   0.843   9.714
  177   HG11  VAL  29          1HG1      VAL  29   5.093  -1.273   7.850
  178   HG12  VAL  29          2HG1      VAL  29   6.025   0.220   7.973
  179   HG13  VAL  29          3HG1      VAL  29   5.743  -0.766   9.408
  180   HG21  VAL  29          1HG2      VAL  29   4.583   1.355   6.951
  181   HG22  VAL  29          2HG2      VAL  29   2.845   1.252   7.229
  182   HG23  VAL  29          3HG2      VAL  29   3.820   2.392   8.156
  183    H    CYS  30           H        CYS  30   2.382   0.853  10.856
  184    HA   CYS  30           HA       CYS  30  -0.366   1.497  10.018
  185    HB2  CYS  30           1HB      CYS  30  -0.879   1.875  12.363
  186    HB3  CYS  30           2HB      CYS  30  -0.171   0.275  12.163
  187    H    LEU  31           H        LEU  31  -1.032   3.666  11.295
  188    HA   LEU  31           HA       LEU  31   0.191   5.768   9.945
  189    HB2  LEU  31           1HB      LEU  31  -1.678   5.553  12.244
  190    HB3  LEU  31           2HB      LEU  31  -0.915   7.113  11.946
  191    HG   LEU  31           HG       LEU  31  -3.115   7.033  10.933
  192   HD11  LEU  31          1HD1      LEU  31  -2.542   7.950   8.891
  193   HD12  LEU  31          2HD1      LEU  31  -1.219   6.814   8.633
  194   HD13  LEU  31          3HD1      LEU  31  -1.046   8.116   9.809
  195   HD21  LEU  31          1HD2      LEU  31  -3.715   4.903  10.416
  196   HD22  LEU  31          2HD2      LEU  31  -2.099   4.460   9.864
  197   HD23  LEU  31          3HD2      LEU  31  -3.157   5.415   8.823
  198    H    ILE  32           H        ILE  32   0.710   4.586  13.240
  199    HA   ILE  32           HA       ILE  32   2.509   6.610  14.037
  200    HB   ILE  32           HB       ILE  32   2.339   3.766  15.040
  201   HG12  ILE  32          1HG1      ILE  32   1.092   6.216  16.278
  202   HG13  ILE  32          2HG1      ILE  32   0.227   5.210  15.121
  203   HG21  ILE  32          1HG2      ILE  32   3.344   4.709  17.097
  204   HG22  ILE  32          2HG2      ILE  32   4.415   4.791  15.700
  205   HG23  ILE  32          3HG2      ILE  32   3.570   6.238  16.248
  206   HD11  ILE  32          1HD1      ILE  32   1.294   4.372  17.804
  207   HD12  ILE  32          2HD1      ILE  32  -0.396   4.570  17.338
  208   HD13  ILE  32          3HD1      ILE  32   0.569   3.277  16.627
  209    H    CYS  33           H        CYS  33   3.288   3.200  13.326
  210    HA   CYS  33           HA       CYS  33   5.961   3.221  13.239
  211    HB2  CYS  33           1HB      CYS  33   3.990   1.877  11.422
  212    HB3  CYS  33           2HB      CYS  33   5.717   1.682  11.139
  213    H    ALA  34           H        ALA  34   3.906   4.369  10.580
  214    HA   ALA  34           HA       ALA  34   5.694   4.956   8.633
  215    HB1  ALA  34           1HB      ALA  34   3.556   5.510   8.037
  216    HB2  ALA  34           2HB      ALA  34   3.227   6.339   9.559
  217    HB3  ALA  34           3HB      ALA  34   4.222   7.117   8.329
  218    H    ILE  35           H        ILE  35   4.921   7.132  11.351
  219    HA   ILE  35           HA       ILE  35   6.420   9.297  10.920
  220    HB   ILE  35           HB       ILE  35   6.314   7.731  13.496
  221   HG12  ILE  35          1HG1      ILE  35   4.822  10.202  12.586
  222   HG13  ILE  35          2HG1      ILE  35   4.159   8.571  12.603
  223   HG21  ILE  35          1HG2      ILE  35   6.916   9.976  14.524
  224   HG22  ILE  35          2HG2      ILE  35   8.218   9.090  13.733
  225   HG23  ILE  35          3HG2      ILE  35   7.451  10.450  12.912
  226   HD11  ILE  35          1HD1      ILE  35   4.314  10.501  14.715
  227   HD12  ILE  35          2HD1      ILE  35   3.449   8.965  14.658
  228   HD13  ILE  35          3HD1      ILE  35   5.132   9.011  15.182
  229    H    SER  36           H        SER  36   7.792   6.320  12.327
  230    HA   SER  36           HA       SER  36  10.459   7.202  12.338
  231    HB2  SER  36           1HB      SER  36   9.543   5.224  13.601
  232    HB3  SER  36           2HB      SER  36   9.533   4.333  12.080
  233    HG   SER  36           HG       SER  36  11.516   3.877  12.610
  234    H    HIS  37           H        HIS  37   8.932   4.868  10.110
  235    HA   HIS  37           HA       HIS  37  10.954   4.546   8.305
  236    HB2  HIS  37           1HB      HIS  37   8.004   4.782   7.674
  237    HB3  HIS  37           2HB      HIS  37   9.216   4.073   6.611
  238    HD2  HIS  37           2HD      HIS  37   7.024   3.110   9.629
  239    HE1  HIS  37           1HE      HIS  37   9.541  -0.195   8.765
  240    HE2  HIS  37           2HE      HIS  37   7.511   0.600  10.026
  241    H    THR  38           H        THR  38   8.306   6.896   7.843
  242    HA   THR  38           HA       THR  38   9.271   8.235   5.662
  243    HB   THR  38           HB       THR  38   8.007  10.205   6.404
  244    HG1  THR  38           1HG      THR  38   7.392   8.837   8.804
  245   HG21  THR  38          1HG2      THR  38   6.032   8.352   7.312
  246   HG22  THR  38          2HG2      THR  38   6.990   7.589   6.044
  247   HG23  THR  38          3HG2      THR  38   6.180   9.124   5.734
  248    H    HIS  39           H        HIS  39  10.356   8.470   8.971
  249    HA   HIS  39           HA       HIS  39  11.941  10.832   8.541
  250    HB2  HIS  39           1HB      HIS  39  10.909   9.896  10.765
  251    HB3  HIS  39           2HB      HIS  39  12.396   8.954  10.830
  252    HD1  HIS  39           1HD      HIS  39  14.663  10.469  10.729
  253    HD2  HIS  39           2HD      HIS  39  11.139  12.409  11.766
  254    HE1  HIS  39           1HE      HIS  39  15.376  12.617  11.825
  255    H    ARG  40           H        ARG  40  12.461   7.362   8.529
  256    HA   ARG  40           HA       ARG  40  15.331   7.630   8.279
  257    HB2  ARG  40           1HB      ARG  40  13.439   5.290   8.288
  258    HB3  ARG  40           2HB      ARG  40  15.137   5.096   7.872
  259    HG2  ARG  40           1HG      ARG  40  14.201   6.323  10.451
  260    HG3  ARG  40           2HG      ARG  40  14.541   4.602  10.255
  261    HD2  ARG  40           1HD      ARG  40  16.828   5.402   9.351
  262    HD3  ARG  40           2HD      ARG  40  16.424   6.928  10.136
  263    HE   ARG  40           HE       ARG  40  17.160   4.451  11.417
  264   HH11  ARG  40          2HH1      ARG  40  15.607   7.546  11.783
  265   HH12  ARG  40          1HH1      ARG  40  15.814   7.593  13.502
  266   HH21  ARG  40          2HH2      ARG  40  17.438   4.502  13.681
  267   HH22  ARG  40          1HH2      ARG  40  16.857   5.861  14.580
  268    H    ALA  41           H        ALA  41  13.183   8.547   6.226
  269    HA   ALA  41           HA       ALA  41  13.099   8.831   3.969
  270    HB1  ALA  41           1HB      ALA  41  15.335   7.838   2.817
  271    HB2  ALA  41           2HB      ALA  41  15.229   9.431   3.568
  272    HB3  ALA  41           3HB      ALA  41  15.893   8.071   4.474
  273    H    HIS  42           H        HIS  42  11.653   6.749   4.815
  274    HA   HIS  42           HA       HIS  42  12.278   4.535   2.980
  275    HB2  HIS  42           1HB      HIS  42  10.928   4.677   5.628
  276    HB3  HIS  42           2HB      HIS  42  10.334   3.479   4.482
  277    HD2  HIS  42           2HD      HIS  42  13.842   3.329   3.627
  278    HE1  HIS  42           1HE      HIS  42  13.631   0.976   7.151
  279    HE2  HIS  42           2HE      HIS  42  15.049   1.650   5.181
  280    H    THR  43           H        THR  43  10.850   3.925   1.425
  281    HA   THR  43           HA       THR  43   8.793   5.820   0.724
  282    HB   THR  43           HB       THR  43   9.465   3.214  -0.652
  283    HG1  THR  43           1HG      THR  43  11.193   4.923  -0.394
  284   HG21  THR  43          1HG2      THR  43   8.626   5.087  -2.515
  285   HG22  THR  43          2HG2      THR  43   7.545   5.338  -1.144
  286   HG23  THR  43          3HG2      THR  43   7.675   3.743  -1.884
  287    H    VAL  44           H        VAL  44   6.899   5.731   1.748
  288    HA   VAL  44           HA       VAL  44   5.660   3.084   2.147
  289    HB   VAL  44           HB       VAL  44   5.421   5.533   3.898
  290   HG11  VAL  44          1HG1      VAL  44   3.277   4.280   3.584
  291   HG12  VAL  44          2HG1      VAL  44   4.071   2.867   4.281
  292   HG13  VAL  44          3HG1      VAL  44   3.863   4.329   5.246
  293   HG21  VAL  44          1HG2      VAL  44   6.550   4.299   5.561
  294   HG22  VAL  44          2HG2      VAL  44   6.394   2.791   4.660
  295   HG23  VAL  44          3HG2      VAL  44   7.478   4.056   4.081
  296    H    VAL  45           H        VAL  45   3.533   2.836   1.588
  297    HA   VAL  45           HA       VAL  45   2.050   5.171   0.631
  298    HB   VAL  45           HB       VAL  45   1.423   4.127  -1.448
  299   HG11  VAL  45          1HG1      VAL  45   4.416   3.933  -1.142
  300   HG12  VAL  45          2HG1      VAL  45   3.515   4.226  -2.631
  301   HG13  VAL  45          3HG1      VAL  45   3.527   5.441  -1.352
  302   HG21  VAL  45          1HG2      VAL  45   3.250   1.838  -0.733
  303   HG22  VAL  45          2HG2      VAL  45   1.493   1.788  -0.588
  304   HG23  VAL  45          3HG2      VAL  45   2.242   1.991  -2.172
  305    HA   PRO  46           HA       PRO  46  -1.349   3.223   2.624
  306    HB2  PRO  46           1HB      PRO  46  -3.407   4.291   1.212
  307    HB3  PRO  46           2HB      PRO  46  -2.460   5.219   2.380
  308    HG2  PRO  46           1HG      PRO  46  -2.231   5.132  -0.604
  309    HG3  PRO  46           2HG      PRO  46  -2.165   6.532   0.483
  310    HD2  PRO  46           1HD      PRO  46   0.059   5.389  -0.557
  311    HD3  PRO  46           2HD      PRO  46   0.037   6.149   1.047
  312    H    LEU  47           H        LEU  47  -2.703   1.472   2.431
  313    HA   LEU  47           HA       LEU  47  -2.420  -0.102   0.018
  314    HB2  LEU  47           1HB      LEU  47  -3.318  -0.577   2.798
  315    HB3  LEU  47           2HB      LEU  47  -4.009  -1.613   1.551
  316    HG   LEU  47           HG       LEU  47  -1.820  -2.418   0.940
  317   HD11  LEU  47          1HD1      LEU  47  -0.862  -0.045   1.815
  318   HD12  LEU  47          2HD1      LEU  47   0.133  -1.467   1.507
  319   HD13  LEU  47          3HD1      LEU  47  -0.399  -1.103   3.148
  320   HD21  LEU  47          1HD2      LEU  47  -1.119  -3.361   3.215
  321   HD22  LEU  47          2HD2      LEU  47  -2.750  -3.719   2.646
  322   HD23  LEU  47          3HD2      LEU  47  -2.495  -2.468   3.864
  323    H    SER  48           H        SER  48  -3.798   0.038  -1.613
  324    HA   SER  48           HA       SER  48  -5.638   0.733  -2.810
  325    HB2  SER  48           1HB      SER  48  -6.137  -1.603  -2.046
  326    HB3  SER  48           2HB      SER  48  -7.045  -0.917  -0.699
  327    HG   SER  48           HG       SER  48  -7.586  -0.635  -3.469
  328    H    GLY  49           H        GLY  49  -4.891   2.506  -0.552
  329    HA2  GLY  49           1HA      GLY  49  -7.274   3.440   0.699
  330    HA3  GLY  49           2HA      GLY  49  -5.736   4.288   0.634
  331    HA   PRO  50           HA       PRO  50  -9.063   6.021  -2.364
  332    HB2  PRO  50           1HB      PRO  50 -10.161   7.954  -0.805
  333    HB3  PRO  50           2HB      PRO  50 -10.815   6.315  -0.908
  334    HG2  PRO  50           1HG      PRO  50  -9.046   7.521   1.185
  335    HG3  PRO  50           2HG      PRO  50 -10.457   6.467   1.385
  336    HD2  PRO  50           1HD      PRO  50  -7.916   5.545   1.542
  337    HD3  PRO  50           2HD      PRO  50  -9.254   4.556   0.921
  338    H    SER  51           H        SER  51  -9.275   8.483  -2.880
  339    HA   SER  51           HA       SER  51  -6.564   9.544  -2.894
  340    HB2  SER  51           1HB      SER  51  -7.854   9.435  -5.006
  341    HB3  SER  51           2HB      SER  51  -9.040  10.546  -4.321
  342    HG   SER  51           HG       SER  51  -7.134  11.347  -5.687
  343    H    SER  52           H        SER  52  -9.834  10.789  -2.201
  344    HA   SER  52           HA       SER  52  -9.208  13.270  -1.231
  345    HB2  SER  52           1HB      SER  52 -11.281  13.175   0.059
  346    HB3  SER  52           2HB      SER  52 -11.516  12.425  -1.519
  347    HG   SER  52           HG       SER  52 -10.795  10.450  -0.085
  348    H    GLY  53           H        GLY  53  -8.659  10.188   0.275
  349    HA2  GLY  53           1HA      GLY  53  -7.763   9.594   2.313
  350    HA3  GLY  53           2HA      GLY  53  -6.725  10.985   2.038
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -1.393 -23.970  12.319
    2    HA2  GLY   1           1HA      GLY   1  -1.876 -22.037  13.906
    3    HA3  GLY   1           2HA      GLY   1  -0.209 -21.583  13.586
    4    H    SER   2           H        SER   2  -2.294 -19.832  13.113
    5    HA   SER   2           HA       SER   2  -2.382 -19.758  10.168
    6    HB2  SER   2           1HB      SER   2  -4.485 -18.406  10.443
    7    HB3  SER   2           2HB      SER   2  -4.624 -20.078  10.986
    8    HG   SER   2           HG       SER   2  -4.208 -17.791  12.617
    9    H    SER   3           H        SER   3  -2.819 -17.410   9.398
   10    HA   SER   3           HA       SER   3  -1.131 -15.566  10.957
   11    HB2  SER   3           1HB      SER   3  -0.971 -16.359   8.091
   12    HB3  SER   3           2HB      SER   3  -0.649 -14.670   8.484
   13    HG   SER   3           HG       SER   3   1.288 -15.547   8.765
   14    H    GLY   4           H        GLY   4  -1.436 -13.240  10.220
   15    HA2  GLY   4           1HA      GLY   4  -4.215 -12.601  10.434
   16    HA3  GLY   4           2HA      GLY   4  -2.894 -11.455  10.260
   17    H    SER   5           H        SER   5  -4.835 -13.787   8.414
   18    HA   SER   5           HA       SER   5  -4.106 -12.958   5.856
   19    HB2  SER   5           1HB      SER   5  -6.553 -14.287   6.977
   20    HB3  SER   5           2HB      SER   5  -6.513 -13.803   5.282
   21    HG   SER   5           HG       SER   5  -5.385 -15.937   6.449
   22    H    SER   6           H        SER   6  -5.340 -11.713   4.291
   23    HA   SER   6           HA       SER   6  -5.700  -9.110   4.826
   24    HB2  SER   6           1HB      SER   6  -7.083  -8.919   2.863
   25    HB3  SER   6           2HB      SER   6  -5.902 -10.196   2.569
   26    HG   SER   6           HG       SER   6  -7.451 -11.652   2.574
   27    H    GLY   7           H        GLY   7  -6.854  -8.024   6.268
   28    HA2  GLY   7           1HA      GLY   7  -9.203  -7.361   6.793
   29    HA3  GLY   7           2HA      GLY   7  -9.518  -9.077   6.997
   30    H    GLU   8           H        GLU   8  -9.354  -6.447   8.736
   31    HA   GLU   8           HA       GLU   8  -8.862  -5.909  10.894
   32    HB2  GLU   8           1HB      GLU   8  -8.937  -8.914  11.217
   33    HB3  GLU   8           2HB      GLU   8  -9.013  -7.748  12.531
   34    HG2  GLU   8           1HG      GLU   8 -11.085  -6.826  11.387
   35    HG3  GLU   8           2HG      GLU   8 -11.053  -8.287  10.401
   36    H    SER   9           H        SER   9  -6.648  -5.920   9.241
   37    HA   SER   9           HA       SER   9  -4.510  -7.302  10.657
   38    HB2  SER   9           1HB      SER   9  -4.449  -5.551   8.188
   39    HB3  SER   9           2HB      SER   9  -3.059  -6.406   8.856
   40    HG   SER   9           HG       SER   9  -5.410  -7.812   8.224
   41    H    LEU  10           H        LEU  10  -3.988  -6.338  12.528
   42    HA   LEU  10           HA       LEU  10  -3.563  -3.423  12.510
   43    HB2  LEU  10           1HB      LEU  10  -3.944  -5.133  14.951
   44    HB3  LEU  10           2HB      LEU  10  -4.030  -3.377  14.830
   45    HG   LEU  10           HG       LEU  10  -6.006  -4.995  13.301
   46   HD11  LEU  10          1HD1      LEU  10  -7.479  -5.023  15.301
   47   HD12  LEU  10          2HD1      LEU  10  -6.088  -4.557  16.280
   48   HD13  LEU  10          3HD1      LEU  10  -6.087  -6.099  15.425
   49   HD21  LEU  10          1HD2      LEU  10  -5.621  -2.262  14.170
   50   HD22  LEU  10          2HD2      LEU  10  -7.211  -2.874  14.624
   51   HD23  LEU  10          3HD2      LEU  10  -6.700  -2.912  12.936
   52    H    CYS  11           H        CYS  11  -1.749  -2.589  13.689
   53    HA   CYS  11           HA       CYS  11   0.662  -3.898  13.159
   54    HB2  CYS  11           1HB      CYS  11   0.091  -1.378  13.733
   55    HB3  CYS  11           2HB      CYS  11   0.523  -1.886  15.363
   56    HA   PRO  12           HA       PRO  12   0.911  -6.812  16.473
   57    HB2  PRO  12           1HB      PRO  12   3.544  -7.420  16.212
   58    HB3  PRO  12           2HB      PRO  12   2.307  -8.010  15.096
   59    HG2  PRO  12           1HG      PRO  12   4.194  -5.707  14.786
   60    HG3  PRO  12           2HG      PRO  12   3.725  -6.938  13.598
   61    HD2  PRO  12           1HD      PRO  12   2.659  -4.449  13.616
   62    HD3  PRO  12           2HD      PRO  12   1.742  -5.877  13.095
   63    H    GLN  13           H        GLN  13   2.320  -3.765  16.415
   64    HA   GLN  13           HA       GLN  13   3.256  -4.078  19.191
   65    HB2  GLN  13           1HB      GLN  13   5.086  -3.693  17.487
   66    HB3  GLN  13           2HB      GLN  13   4.383  -2.106  17.204
   67    HG2  GLN  13           1HG      GLN  13   6.157  -1.777  18.707
   68    HG3  GLN  13           2HG      GLN  13   4.681  -1.664  19.665
   69   HE21  GLN  13          1HE2      GLN  13   4.926  -2.558  21.572
   70   HE22  GLN  13          2HE2      GLN  13   5.812  -3.998  21.923
   71    H    HIS  14           H        HIS  14   1.766  -1.961  16.797
   72    HA   HIS  14           HA       HIS  14   0.957  -0.094  18.897
   73    HB2  HIS  14           1HB      HIS  14   0.813   0.036  15.885
   74    HB3  HIS  14           2HB      HIS  14   0.076   1.245  16.932
   75    HD2  HIS  14           2HD      HIS  14   2.025   2.686  18.549
   76    HE1  HIS  14           1HE      HIS  14   5.192   1.823  15.861
   77    HE2  HIS  14           2HE      HIS  14   4.469   3.177  17.859
   78    H    HIS  15           H        HIS  15  -0.241  -2.742  17.137
   79    HA   HIS  15           HA       HIS  15  -2.302  -3.688  16.894
   80    HB2  HIS  15           1HB      HIS  15  -3.165  -2.259  19.387
   81    HB3  HIS  15           2HB      HIS  15  -3.539  -3.898  18.863
   82    HD1  HIS  15           1HD      HIS  15  -1.840  -2.428  21.459
   83    HD2  HIS  15           2HD      HIS  15  -0.700  -5.283  18.665
   84    HE1  HIS  15           1HE      HIS  15   0.104  -3.643  22.494
   85    H    GLU  16           H        GLU  16  -2.071  -1.459  15.346
   86    HA   GLU  16           HA       GLU  16  -4.773  -0.302  15.511
   87    HB2  GLU  16           1HB      GLU  16  -2.149   1.058  15.022
   88    HB3  GLU  16           2HB      GLU  16  -3.613   1.708  14.297
   89    HG2  GLU  16           1HG      GLU  16  -3.012   1.357  17.219
   90    HG3  GLU  16           2HG      GLU  16  -3.236   2.865  16.334
   91    H    ALA  17           H        ALA  17  -5.782   0.184  13.515
   92    HA   ALA  17           HA       ALA  17  -5.569  -1.702  11.524
   93    HB1  ALA  17           1HB      ALA  17  -6.861  -0.124  10.106
   94    HB2  ALA  17           2HB      ALA  17  -7.532  -0.337  11.723
   95    HB3  ALA  17           3HB      ALA  17  -6.614   1.118  11.334
   96    H    LEU  18           H        LEU  18  -4.153  -2.093   9.958
   97    HA   LEU  18           HA       LEU  18  -1.973  -0.264   9.487
   98    HB2  LEU  18           1HB      LEU  18  -2.602  -2.884   8.139
   99    HB3  LEU  18           2HB      LEU  18  -1.076  -2.007   8.059
  100    HG   LEU  18           HG       LEU  18  -2.227  -3.211  10.574
  101   HD11  LEU  18          1HD1      LEU  18  -0.041  -4.242   8.771
  102   HD12  LEU  18          2HD1      LEU  18  -1.648  -4.944   8.953
  103   HD13  LEU  18          3HD1      LEU  18  -0.529  -4.939  10.317
  104   HD21  LEU  18          1HD2      LEU  18  -0.559  -2.238  11.683
  105   HD22  LEU  18          2HD2      LEU  18  -0.321  -1.230  10.256
  106   HD23  LEU  18          3HD2      LEU  18   0.626  -2.704  10.463
  107    H    SER  19           H        SER  19  -2.496   1.490   8.314
  108    HA   SER  19           HA       SER  19  -3.984   1.084   5.807
  109    HB2  SER  19           1HB      SER  19  -4.831   2.708   7.642
  110    HB3  SER  19           2HB      SER  19  -3.535   3.769   7.089
  111    HG   SER  19           HG       SER  19  -5.555   4.143   6.023
  112    H    LEU  20           H        LEU  20  -1.015   0.818   6.472
  113    HA   LEU  20           HA       LEU  20  -0.089   2.264   4.117
  114    HB2  LEU  20           1HB      LEU  20   1.113   2.544   6.861
  115    HB3  LEU  20           2HB      LEU  20   1.983   2.955   5.384
  116    HG   LEU  20           HG       LEU  20  -0.592   4.253   6.270
  117   HD11  LEU  20          1HD1      LEU  20   1.865   4.568   7.447
  118   HD12  LEU  20          2HD1      LEU  20   0.554   5.747   7.466
  119   HD13  LEU  20          3HD1      LEU  20   1.831   5.869   6.256
  120   HD21  LEU  20          1HD2      LEU  20  -0.096   5.882   4.544
  121   HD22  LEU  20          2HD2      LEU  20  -0.194   4.266   3.844
  122   HD23  LEU  20          3HD2      LEU  20   1.380   5.014   4.118
  123    H    PHE  21           H        PHE  21   2.175   1.575   3.524
  124    HA   PHE  21           HA       PHE  21   3.022  -0.994   4.560
  125    HB2  PHE  21           1HB      PHE  21   1.425  -1.792   2.975
  126    HB3  PHE  21           2HB      PHE  21   1.975  -0.654   1.750
  127    HD1  PHE  21           1HD      PHE  21   2.809  -3.739   3.569
  128    HD2  PHE  21           2HD      PHE  21   3.851  -1.132   0.371
  129    HE1  PHE  21           1HE      PHE  21   4.348  -5.444   2.686
  130    HE2  PHE  21           2HE      PHE  21   5.391  -2.832  -0.519
  131    HZ   PHE  21           HZ       PHE  21   5.641  -4.992   0.638
  132    H    CYS  22           H        CYS  22   5.117  -0.664   4.871
  133    HA   CYS  22           HA       CYS  22   6.626   1.272   3.425
  134    HB2  CYS  22           1HB      CYS  22   7.087   0.648   5.786
  135    HB3  CYS  22           2HB      CYS  22   7.624  -0.936   5.236
  136    H    TYR  23           H        TYR  23   7.173   0.987   1.366
  137    HA   TYR  23           HA       TYR  23   7.273  -1.435  -0.004
  138    HB2  TYR  23           1HB      TYR  23   8.214   1.330  -0.529
  139    HB3  TYR  23           2HB      TYR  23   8.922   0.056  -1.515
  140    HD1  TYR  23           1HD      TYR  23   7.235  -1.573  -2.655
  141    HD2  TYR  23           2HD      TYR  23   6.189   2.271  -1.163
  142    HE1  TYR  23           1HE      TYR  23   5.254  -1.553  -4.113
  143    HE2  TYR  23           2HE      TYR  23   4.205   2.302  -2.615
  144    HH   TYR  23           HH       TYR  23   2.854   1.007  -3.915
  145    H    GLU  24           H        GLU  24  10.083   0.568   0.913
  146    HA   GLU  24           HA       GLU  24  12.131  -1.079   0.278
  147    HB2  GLU  24           1HB      GLU  24  12.196   1.209   1.436
  148    HB3  GLU  24           2HB      GLU  24  12.088   0.315   2.946
  149    HG2  GLU  24           1HG      GLU  24  14.398   0.966   2.238
  150    HG3  GLU  24           2HG      GLU  24  14.164  -0.748   2.577
  151    H    ASP  25           H        ASP  25  10.635  -1.098   3.519
  152    HA   ASP  25           HA       ASP  25  11.907  -3.464   4.365
  153    HB2  ASP  25           1HB      ASP  25   9.360  -2.155   5.338
  154    HB3  ASP  25           2HB      ASP  25  10.178  -3.478   6.165
  155    H    GLN  26           H        GLN  26   9.232  -2.932   2.301
  156    HA   GLN  26           HA       GLN  26   7.803  -4.322   1.207
  157    HB2  GLN  26           1HB      GLN  26   9.980  -6.255   1.972
  158    HB3  GLN  26           2HB      GLN  26   8.572  -6.765   1.051
  159    HG2  GLN  26           1HG      GLN  26  10.338  -4.505   0.170
  160    HG3  GLN  26           2HG      GLN  26  10.656  -6.184  -0.260
  161   HE21  GLN  26          1HE2      GLN  26   8.495  -3.481  -0.651
  162   HE22  GLN  26          2HE2      GLN  26   7.663  -4.090  -2.037
  163    H    GLU  27           H        GLU  27   7.245  -3.724   3.932
  164    HA   GLU  27           HA       GLU  27   5.595  -6.059   4.587
  165    HB2  GLU  27           1HB      GLU  27   6.182  -6.068   6.862
  166    HB3  GLU  27           2HB      GLU  27   7.714  -5.918   6.012
  167    HG2  GLU  27           1HG      GLU  27   7.366  -3.373   6.356
  168    HG3  GLU  27           2HG      GLU  27   6.231  -3.878   7.606
  169    H    ALA  28           H        ALA  28   3.863  -5.488   6.193
  170    HA   ALA  28           HA       ALA  28   2.706  -2.918   5.430
  171    HB1  ALA  28           1HB      ALA  28   1.605  -5.398   5.588
  172    HB2  ALA  28           2HB      ALA  28   1.115  -4.699   7.131
  173    HB3  ALA  28           3HB      ALA  28   0.692  -3.889   5.623
  174    H    VAL  29           H        VAL  29   2.398  -1.257   6.797
  175    HA   VAL  29           HA       VAL  29   2.901  -1.698   9.664
  176    HB   VAL  29           HB       VAL  29   4.079   0.443   9.798
  177   HG11  VAL  29          1HG1      VAL  29   5.040  -1.936   8.587
  178   HG12  VAL  29          2HG1      VAL  29   5.821  -0.566   7.794
  179   HG13  VAL  29          3HG1      VAL  29   5.930  -0.753   9.545
  180   HG21  VAL  29          1HG2      VAL  29   4.832   1.526   7.675
  181   HG22  VAL  29          2HG2      VAL  29   3.707   0.483   6.806
  182   HG23  VAL  29          3HG2      VAL  29   3.099   1.651   7.979
  183    H    CYS  30           H        CYS  30   2.307   0.497  10.855
  184    HA   CYS  30           HA       CYS  30  -0.414   1.164   9.961
  185    HB2  CYS  30           1HB      CYS  30  -0.989   1.560  12.232
  186    HB3  CYS  30           2HB      CYS  30  -0.056   0.066  12.223
  187    H    LEU  31           H        LEU  31  -1.082   3.414  11.008
  188    HA   LEU  31           HA       LEU  31   0.171   5.407   9.551
  189    HB2  LEU  31           1HB      LEU  31  -2.085   5.593  10.478
  190    HB3  LEU  31           2HB      LEU  31  -1.410   5.695  12.103
  191    HG   LEU  31           HG       LEU  31  -0.644   7.730  10.050
  192   HD11  LEU  31          1HD1      LEU  31  -3.225   7.622  11.590
  193   HD12  LEU  31          2HD1      LEU  31  -3.001   7.795   9.850
  194   HD13  LEU  31          3HD1      LEU  31  -2.554   9.114  10.931
  195   HD21  LEU  31          1HD2      LEU  31  -1.128   8.756  12.647
  196   HD22  LEU  31          2HD2      LEU  31   0.410   8.596  11.798
  197   HD23  LEU  31          3HD2      LEU  31  -0.177   7.281  12.817
  198    H    ILE  32           H        ILE  32   0.347   5.026  13.097
  199    HA   ILE  32           HA       ILE  32   2.244   6.895  13.682
  200    HB   ILE  32           HB       ILE  32   2.065   4.142  14.913
  201   HG12  ILE  32          1HG1      ILE  32   0.822   6.714  15.892
  202   HG13  ILE  32          2HG1      ILE  32  -0.041   5.561  14.879
  203   HG21  ILE  32          1HG2      ILE  32   2.878   5.776  16.903
  204   HG22  ILE  32          2HG2      ILE  32   3.971   4.823  15.899
  205   HG23  ILE  32          3HG2      ILE  32   3.684   6.522  15.523
  206   HD11  ILE  32          1HD1      ILE  32   1.066   4.108  17.023
  207   HD12  ILE  32          2HD1      ILE  32   0.313   5.554  17.698
  208   HD13  ILE  32          3HD1      ILE  32  -0.632   4.455  16.693
  209    H    CYS  33           H        CYS  33   3.025   3.454  13.128
  210    HA   CYS  33           HA       CYS  33   5.688   3.401  13.159
  211    HB2  CYS  33           1HB      CYS  33   3.769   2.130  11.242
  212    HB3  CYS  33           2HB      CYS  33   5.500   1.907  11.008
  213    H    ALA  34           H        ALA  34   4.027   4.134  10.086
  214    HA   ALA  34           HA       ALA  34   6.004   4.874   8.467
  215    HB1  ALA  34           1HB      ALA  34   3.861   5.131   7.600
  216    HB2  ALA  34           2HB      ALA  34   3.356   6.206   8.904
  217    HB3  ALA  34           3HB      ALA  34   4.474   6.784   7.668
  218    H    ILE  35           H        ILE  35   4.663   7.049  10.946
  219    HA   ILE  35           HA       ILE  35   5.963   9.355  10.612
  220    HB   ILE  35           HB       ILE  35   5.814   7.888  13.248
  221   HG12  ILE  35          1HG1      ILE  35   3.632   8.179  12.158
  222   HG13  ILE  35          2HG1      ILE  35   3.762   9.188  13.594
  223   HG21  ILE  35          1HG2      ILE  35   6.157  10.837  12.721
  224   HG22  ILE  35          2HG2      ILE  35   6.025  10.062  14.298
  225   HG23  ILE  35          3HG2      ILE  35   7.427   9.746  13.275
  226   HD11  ILE  35          1HD1      ILE  35   2.691  10.392  11.794
  227   HD12  ILE  35          2HD1      ILE  35   4.252  11.120  12.173
  228   HD13  ILE  35          3HD1      ILE  35   4.078  10.100  10.745
  229    H    SER  36           H        SER  36   7.464   6.589  12.290
  230    HA   SER  36           HA       SER  36  10.021   7.805  12.472
  231    HB2  SER  36           1HB      SER  36   9.135   4.925  12.721
  232    HB3  SER  36           2HB      SER  36  10.790   5.460  13.012
  233    HG   SER  36           HG       SER  36   8.765   6.836  14.332
  234    H    HIS  37           H        HIS  37   8.922   5.062  10.469
  235    HA   HIS  37           HA       HIS  37  11.094   4.618   8.920
  236    HB2  HIS  37           1HB      HIS  37   8.189   4.667   8.103
  237    HB3  HIS  37           2HB      HIS  37   9.467   4.084   7.041
  238    HD2  HIS  37           2HD      HIS  37   7.819   3.062  10.470
  239    HE1  HIS  37           1HE      HIS  37   9.810  -0.297   8.810
  240    HE2  HIS  37           2HE      HIS  37   8.256   0.516  10.618
  241    H    THR  38           H        THR  38   8.497   6.803   7.818
  242    HA   THR  38           HA       THR  38   9.630   7.925   5.644
  243    HB   THR  38           HB       THR  38   8.330   9.763   7.631
  244    HG1  THR  38           1HG      THR  38   7.158   7.596   6.224
  245   HG21  THR  38          1HG2      THR  38   7.400  10.802   5.700
  246   HG22  THR  38          2HG2      THR  38   7.892   9.463   4.664
  247   HG23  THR  38          3HG2      THR  38   9.109  10.534   5.359
  248    H    HIS  39           H        HIS  39  10.440   8.660   8.989
  249    HA   HIS  39           HA       HIS  39  12.083  10.901   8.475
  250    HB2  HIS  39           1HB      HIS  39  11.101  10.048  10.719
  251    HB3  HIS  39           2HB      HIS  39  12.534   9.025  10.780
  252    HD1  HIS  39           1HD      HIS  39  12.050  11.227  12.884
  253    HD2  HIS  39           2HD      HIS  39  14.324  11.731   9.444
  254    HE1  HIS  39           1HE      HIS  39  13.612  13.133  13.384
  255    H    ARG  40           H        ARG  40  12.742   7.438   8.667
  256    HA   ARG  40           HA       ARG  40  15.580   7.818   8.259
  257    HB2  ARG  40           1HB      ARG  40  13.811   5.398   8.537
  258    HB3  ARG  40           2HB      ARG  40  15.500   5.254   8.069
  259    HG2  ARG  40           1HG      ARG  40  15.633   4.951  10.334
  260    HG3  ARG  40           2HG      ARG  40  15.918   6.689  10.208
  261    HD2  ARG  40           1HD      ARG  40  14.336   6.694  11.847
  262    HD3  ARG  40           2HD      ARG  40  13.282   6.763  10.435
  263    HE   ARG  40           HE       ARG  40  12.548   4.639  10.909
  264   HH11  ARG  40          2HH1      ARG  40  15.367   5.356  12.822
  265   HH12  ARG  40          1HH1      ARG  40  15.213   3.944  13.815
  266   HH21  ARG  40          2HH2      ARG  40  12.335   2.777  12.210
  267   HH22  ARG  40          1HH2      ARG  40  13.489   2.478  13.465
  268    H    ALA  41           H        ALA  41  13.527   8.662   6.224
  269    HA   ALA  41           HA       ALA  41  13.370   8.778   3.956
  270    HB1  ALA  41           1HB      ALA  41  15.340   7.944   2.635
  271    HB2  ALA  41           2HB      ALA  41  15.717   9.128   3.888
  272    HB3  ALA  41           3HB      ALA  41  16.047   7.417   4.163
  273    H    HIS  42           H        HIS  42  12.090   6.624   5.334
  274    HA   HIS  42           HA       HIS  42  12.360   4.331   3.547
  275    HB2  HIS  42           1HB      HIS  42  11.148   4.796   6.223
  276    HB3  HIS  42           2HB      HIS  42  10.421   3.548   5.215
  277    HD2  HIS  42           2HD      HIS  42  14.040   4.326   6.626
  278    HE1  HIS  42           1HE      HIS  42  13.542   0.136   6.183
  279    HE2  HIS  42           2HE      HIS  42  15.035   1.975   7.040
  280    H    THR  43           H        THR  43  10.885   3.757   2.048
  281    HA   THR  43           HA       THR  43   8.931   5.694   1.250
  282    HB   THR  43           HB       THR  43   9.250   2.893   0.166
  283    HG1  THR  43           1HG      THR  43  10.997   3.558  -0.839
  284   HG21  THR  43          1HG2      THR  43   7.247   3.890  -0.640
  285   HG22  THR  43          2HG2      THR  43   8.437   4.047  -1.932
  286   HG23  THR  43          3HG2      THR  43   8.048   5.436  -0.917
  287    H    VAL  44           H        VAL  44   6.839   5.784   1.754
  288    HA   VAL  44           HA       VAL  44   5.504   3.373   2.765
  289    HB   VAL  44           HB       VAL  44   5.349   6.090   4.078
  290   HG11  VAL  44          1HG1      VAL  44   3.425   5.464   4.992
  291   HG12  VAL  44          2HG1      VAL  44   3.443   4.015   3.984
  292   HG13  VAL  44          3HG1      VAL  44   4.161   3.980   5.596
  293   HG21  VAL  44          1HG2      VAL  44   7.238   5.326   5.046
  294   HG22  VAL  44          2HG2      VAL  44   6.112   4.383   6.022
  295   HG23  VAL  44          3HG2      VAL  44   6.901   3.646   4.628
  296    H    VAL  45           H        VAL  45   3.434   3.118   2.101
  297    HA   VAL  45           HA       VAL  45   1.956   5.357   0.985
  298    HB   VAL  45           HB       VAL  45   1.530   4.337  -1.153
  299   HG11  VAL  45          1HG1      VAL  45   4.470   4.438  -0.496
  300   HG12  VAL  45          2HG1      VAL  45   3.816   4.382  -2.134
  301   HG13  VAL  45          3HG1      VAL  45   3.463   5.759  -1.089
  302   HG21  VAL  45          1HG2      VAL  45   2.348   2.248  -1.852
  303   HG22  VAL  45          2HG2      VAL  45   3.473   2.140  -0.498
  304   HG23  VAL  45          3HG2      VAL  45   1.739   1.974  -0.220
  305    HA   PRO  46           HA       PRO  46  -1.457   3.184   2.703
  306    HB2  PRO  46           1HB      PRO  46  -3.472   4.171   1.174
  307    HB3  PRO  46           2HB      PRO  46  -2.657   5.123   2.421
  308    HG2  PRO  46           1HG      PRO  46  -2.224   5.115  -0.541
  309    HG3  PRO  46           2HG      PRO  46  -2.309   6.492   0.574
  310    HD2  PRO  46           1HD      PRO  46   0.039   5.494  -0.334
  311    HD3  PRO  46           2HD      PRO  46  -0.132   6.215   1.279
  312    H    LEU  47           H        LEU  47  -2.532   1.294   2.419
  313    HA   LEU  47           HA       LEU  47  -2.011  -0.228   0.051
  314    HB2  LEU  47           1HB      LEU  47  -3.408  -0.722   2.640
  315    HB3  LEU  47           2HB      LEU  47  -3.663  -1.836   1.299
  316    HG   LEU  47           HG       LEU  47  -1.133  -2.094   1.231
  317   HD11  LEU  47          1HD1      LEU  47  -0.393  -1.664   3.799
  318   HD12  LEU  47          2HD1      LEU  47  -1.449  -0.280   3.518
  319   HD13  LEU  47          3HD1      LEU  47  -0.061  -0.558   2.467
  320   HD21  LEU  47          1HD2      LEU  47  -2.864  -3.675   2.251
  321   HD22  LEU  47          2HD2      LEU  47  -2.351  -3.030   3.810
  322   HD23  LEU  47          3HD2      LEU  47  -1.189  -3.855   2.770
  323    H    SER  48           H        SER  48  -5.057   0.728   1.650
  324    HA   SER  48           HA       SER  48  -6.505   0.242  -0.830
  325    HB2  SER  48           1HB      SER  48  -7.284   0.701   2.023
  326    HB3  SER  48           2HB      SER  48  -8.466   1.023   0.755
  327    HG   SER  48           HG       SER  48  -8.803  -1.043   0.792
  328    H    GLY  49           H        GLY  49  -4.619   2.454  -0.684
  329    HA2  GLY  49           1HA      GLY  49  -4.487   4.640  -1.370
  330    HA3  GLY  49           2HA      GLY  49  -6.126   4.440  -1.970
  331    HA   PRO  50           HA       PRO  50  -5.801   7.205   1.933
  332    HB2  PRO  50           1HB      PRO  50  -5.706   9.652   0.761
  333    HB3  PRO  50           2HB      PRO  50  -4.257   8.739   1.197
  334    HG2  PRO  50           1HG      PRO  50  -5.598   9.007  -1.466
  335    HG3  PRO  50           2HG      PRO  50  -3.870   9.056  -1.074
  336    HD2  PRO  50           1HD      PRO  50  -5.073   6.850  -2.085
  337    HD3  PRO  50           2HD      PRO  50  -3.702   6.760  -0.960
  338    H    SER  51           H        SER  51  -7.295   8.207  -1.153
  339    HA   SER  51           HA       SER  51  -9.942   7.836  -0.160
  340    HB2  SER  51           1HB      SER  51  -9.290   9.978   0.971
  341    HB3  SER  51           2HB      SER  51  -9.094  10.704  -0.624
  342    HG   SER  51           HG       SER  51 -11.190  11.026   0.407
  343    H    SER  52           H        SER  52 -11.587   8.438  -1.764
  344    HA   SER  52           HA       SER  52 -10.864   7.633  -4.351
  345    HB2  SER  52           1HB      SER  52 -13.180   7.586  -3.205
  346    HB3  SER  52           2HB      SER  52 -13.339   9.247  -3.774
  347    HG   SER  52           HG       SER  52 -12.519   7.336  -5.625
  348    H    GLY  53           H        GLY  53 -11.703  10.862  -3.104
  349    HA2  GLY  53           1HA      GLY  53 -11.243  12.196  -5.572
  350    HA3  GLY  53           2HA      GLY  53 -11.372  12.957  -3.993
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -1.038 -18.991  18.986
    2    HA2  GLY   1           1HA      GLY   1  -0.424 -19.180  16.376
    3    HA3  GLY   1           2HA      GLY   1  -2.038 -19.875  16.411
    4    H    SER   2           H        SER   2  -2.337 -17.990  14.896
    5    HA   SER   2           HA       SER   2  -3.272 -15.689  16.461
    6    HB2  SER   2           1HB      SER   2  -1.509 -15.625  14.019
    7    HB3  SER   2           2HB      SER   2  -2.526 -14.252  14.457
    8    HG   SER   2           HG       SER   2  -0.485 -14.005  15.373
    9    H    SER   3           H        SER   3  -4.607 -14.202  14.886
   10    HA   SER   3           HA       SER   3  -6.875 -15.657  14.115
   11    HB2  SER   3           1HB      SER   3  -6.019 -12.851  13.370
   12    HB3  SER   3           2HB      SER   3  -7.623 -13.517  13.062
   13    HG   SER   3           HG       SER   3  -6.873 -12.307  15.214
   14    H    GLY   4           H        GLY   4  -7.370 -16.746  12.327
   15    HA2  GLY   4           1HA      GLY   4  -5.546 -17.297  10.301
   16    HA3  GLY   4           2HA      GLY   4  -7.279 -17.562  10.184
   17    H    SER   5           H        SER   5  -5.755 -16.858   7.978
   18    HA   SER   5           HA       SER   5  -5.829 -14.046   7.498
   19    HB2  SER   5           1HB      SER   5  -5.652 -16.291   5.474
   20    HB3  SER   5           2HB      SER   5  -5.204 -14.604   5.218
   21    HG   SER   5           HG       SER   5  -3.815 -15.245   7.261
   22    H    SER   6           H        SER   6  -7.780 -13.091   7.604
   23    HA   SER   6           HA       SER   6  -9.925 -14.198   5.910
   24    HB2  SER   6           1HB      SER   6 -10.148 -12.680   8.518
   25    HB3  SER   6           2HB      SER   6 -11.519 -13.060   7.477
   26    HG   SER   6           HG       SER   6 -11.148 -15.237   7.825
   27    H    GLY   7           H        GLY   7  -8.673 -11.171   7.314
   28    HA2  GLY   7           1HA      GLY   7  -8.373  -9.717   5.026
   29    HA3  GLY   7           2HA      GLY   7 -10.081  -9.544   5.405
   30    H    GLU   8           H        GLU   8  -7.513  -9.828   7.791
   31    HA   GLU   8           HA       GLU   8  -7.715  -6.968   8.382
   32    HB2  GLU   8           1HB      GLU   8  -8.256  -9.203  10.334
   33    HB3  GLU   8           2HB      GLU   8  -7.863  -7.567  10.844
   34    HG2  GLU   8           1HG      GLU   8  -9.836  -6.694   9.857
   35    HG3  GLU   8           2HG      GLU   8 -10.173  -8.217   9.037
   36    H    SER   9           H        SER   9  -5.899  -6.072   9.324
   37    HA   SER   9           HA       SER   9  -3.686  -7.807  10.079
   38    HB2  SER   9           1HB      SER   9  -3.536  -7.344   7.581
   39    HB3  SER   9           2HB      SER   9  -3.254  -5.655   8.004
   40    HG   SER   9           HG       SER   9  -1.467  -7.546   7.858
   41    H    LEU  10           H        LEU  10  -3.260  -7.067  12.053
   42    HA   LEU  10           HA       LEU  10  -3.201  -4.155  12.482
   43    HB2  LEU  10           1HB      LEU  10  -3.600  -6.398  14.456
   44    HB3  LEU  10           2HB      LEU  10  -3.479  -4.692  14.882
   45    HG   LEU  10           HG       LEU  10  -5.636  -5.811  13.100
   46   HD11  LEU  10          1HD1      LEU  10  -6.352  -4.988  15.816
   47   HD12  LEU  10          2HD1      LEU  10  -5.369  -6.450  15.731
   48   HD13  LEU  10          3HD1      LEU  10  -6.901  -6.366  14.862
   49   HD21  LEU  10          1HD2      LEU  10  -6.518  -3.732  13.048
   50   HD22  LEU  10          2HD2      LEU  10  -4.843  -3.258  13.330
   51   HD23  LEU  10          3HD2      LEU  10  -5.975  -3.341  14.680
   52    H    CYS  11           H        CYS  11  -1.455  -3.212  13.522
   53    HA   CYS  11           HA       CYS  11   1.074  -4.295  13.034
   54    HB2  CYS  11           1HB      CYS  11   0.260  -1.833  13.576
   55    HB3  CYS  11           2HB      CYS  11   0.725  -2.283  15.213
   56    HA   PRO  12           HA       PRO  12   1.568  -7.132  16.384
   57    HB2  PRO  12           1HB      PRO  12   4.255  -7.462  16.184
   58    HB3  PRO  12           2HB      PRO  12   3.111  -8.187  15.049
   59    HG2  PRO  12           1HG      PRO  12   4.753  -5.701  14.755
   60    HG3  PRO  12           2HG      PRO  12   4.442  -6.982  13.570
   61    HD2  PRO  12           1HD      PRO  12   3.119  -4.620  13.541
   62    HD3  PRO  12           2HD      PRO  12   2.369  -6.140  13.016
   63    H    GLN  13           H        GLN  13   2.514  -3.948  16.379
   64    HA   GLN  13           HA       GLN  13   3.429  -4.138  19.168
   65    HB2  GLN  13           1HB      GLN  13   5.351  -3.648  17.709
   66    HB3  GLN  13           2HB      GLN  13   4.507  -2.243  17.072
   67    HG2  GLN  13           1HG      GLN  13   5.853  -1.257  18.624
   68    HG3  GLN  13           2HG      GLN  13   4.405  -1.541  19.589
   69   HE21  GLN  13          1HE2      GLN  13   5.591  -1.540  21.501
   70   HE22  GLN  13          2HE2      GLN  13   6.604  -2.865  21.952
   71    H    HIS  14           H        HIS  14   2.116  -1.970  16.675
   72    HA   HIS  14           HA       HIS  14   0.992  -0.215  18.691
   73    HB2  HIS  14           1HB      HIS  14   0.796  -0.150  15.672
   74    HB3  HIS  14           2HB      HIS  14   0.180   1.097  16.752
   75    HD2  HIS  14           2HD      HIS  14   2.078   2.867  17.732
   76    HE1  HIS  14           1HE      HIS  14   5.387   1.170  15.689
   77    HE2  HIS  14           2HE      HIS  14   4.591   3.063  17.148
   78    H    HIS  15           H        HIS  15   0.067  -3.027  17.080
   79    HA   HIS  15           HA       HIS  15  -1.946  -4.051  16.662
   80    HB2  HIS  15           1HB      HIS  15  -2.338  -2.862  19.411
   81    HB3  HIS  15           2HB      HIS  15  -3.436  -4.040  18.698
   82    HD1  HIS  15           1HD      HIS  15  -0.543  -3.830  20.802
   83    HD2  HIS  15           2HD      HIS  15  -1.958  -6.547  17.996
   84    HE1  HIS  15           1HE      HIS  15   0.680  -5.978  21.270
   85    H    GLU  16           H        GLU  16  -1.829  -1.526  15.427
   86    HA   GLU  16           HA       GLU  16  -4.610  -0.592  15.712
   87    HB2  GLU  16           1HB      GLU  16  -2.072   0.871  15.081
   88    HB3  GLU  16           2HB      GLU  16  -3.608   1.494  14.495
   89    HG2  GLU  16           1HG      GLU  16  -3.018   0.898  17.383
   90    HG3  GLU  16           2HG      GLU  16  -2.845   2.486  16.638
   91    H    ALA  17           H        ALA  17  -5.848  -0.301  13.875
   92    HA   ALA  17           HA       ALA  17  -5.584  -2.049  11.775
   93    HB1  ALA  17           1HB      ALA  17  -7.644  -0.804  12.358
   94    HB2  ALA  17           2HB      ALA  17  -6.944   0.637  11.618
   95    HB3  ALA  17           3HB      ALA  17  -7.283  -0.785  10.632
   96    H    LEU  18           H        LEU  18  -3.874  -2.219  10.471
   97    HA   LEU  18           HA       LEU  18  -2.132  -0.116   9.790
   98    HB2  LEU  18           1HB      LEU  18  -2.575  -2.687   8.282
   99    HB3  LEU  18           2HB      LEU  18  -1.148  -1.654   8.211
  100    HG   LEU  18           HG       LEU  18  -2.024  -3.078  10.716
  101   HD11  LEU  18          1HD1      LEU  18   0.281  -4.070   9.156
  102   HD12  LEU  18          2HD1      LEU  18  -1.324  -4.442   8.528
  103   HD13  LEU  18          3HD1      LEU  18  -0.878  -4.945  10.158
  104   HD21  LEU  18          1HD2      LEU  18  -0.357  -1.011  10.526
  105   HD22  LEU  18          2HD2      LEU  18   0.777  -2.304  10.134
  106   HD23  LEU  18          3HD2      LEU  18  -0.100  -2.333  11.665
  107    H    SER  19           H        SER  19  -2.122   1.334   8.174
  108    HA   SER  19           HA       SER  19  -4.191   1.093   6.091
  109    HB2  SER  19           1HB      SER  19  -4.490   2.883   8.002
  110    HB3  SER  19           2HB      SER  19  -3.310   3.789   7.055
  111    HG   SER  19           HG       SER  19  -5.878   2.897   6.281
  112    H    LEU  20           H        LEU  20  -0.943   1.934   6.959
  113    HA   LEU  20           HA       LEU  20  -0.348   2.612   4.157
  114    HB2  LEU  20           1HB      LEU  20   1.126   3.248   6.704
  115    HB3  LEU  20           2HB      LEU  20   1.779   3.551   5.095
  116    HG   LEU  20           HG       LEU  20  -0.826   4.757   5.971
  117   HD11  LEU  20          1HD1      LEU  20   1.047   5.270   7.597
  118   HD12  LEU  20          2HD1      LEU  20   0.265   6.655   6.837
  119   HD13  LEU  20          3HD1      LEU  20   1.841   6.110   6.265
  120   HD21  LEU  20          1HD2      LEU  20  -0.367   4.856   3.613
  121   HD22  LEU  20          2HD2      LEU  20   1.255   5.479   3.912
  122   HD23  LEU  20          3HD2      LEU  20  -0.155   6.465   4.303
  123    H    PHE  21           H        PHE  21   1.908   1.944   3.463
  124    HA   PHE  21           HA       PHE  21   2.799  -0.563   4.668
  125    HB2  PHE  21           1HB      PHE  21   1.203  -1.262   2.958
  126    HB3  PHE  21           2HB      PHE  21   2.037  -0.286   1.753
  127    HD1  PHE  21           2HD      PHE  21   4.378  -0.905   1.099
  128    HD2  PHE  21           1HD      PHE  21   1.903  -3.444   3.453
  129    HE1  PHE  21           2HE      PHE  21   5.822  -2.819   0.547
  130    HE2  PHE  21           1HE      PHE  21   3.344  -5.362   2.906
  131    HZ   PHE  21           HZ       PHE  21   5.306  -5.051   1.450
  132    H    CYS  22           H        CYS  22   4.954  -0.746   4.690
  133    HA   CYS  22           HA       CYS  22   6.516   1.340   3.384
  134    HB2  CYS  22           1HB      CYS  22   6.825   0.767   5.817
  135    HB3  CYS  22           2HB      CYS  22   7.479  -0.785   5.304
  136    H    TYR  23           H        TYR  23   7.636   1.017   1.581
  137    HA   TYR  23           HA       TYR  23   7.618  -1.527   0.280
  138    HB2  TYR  23           1HB      TYR  23   8.561   1.213  -0.371
  139    HB3  TYR  23           2HB      TYR  23   9.322  -0.115  -1.239
  140    HD1  TYR  23           1HD      TYR  23   7.703  -1.824  -2.356
  141    HD2  TYR  23           2HD      TYR  23   6.562   2.095  -1.156
  142    HE1  TYR  23           1HE      TYR  23   5.795  -1.912  -3.906
  143    HE2  TYR  23           2HE      TYR  23   4.650   2.018  -2.701
  144    HH   TYR  23           HH       TYR  23   4.358  -0.127  -5.159
  145    H    GLU  24           H        GLU  24  10.176   0.510   1.679
  146    HA   GLU  24           HA       GLU  24  12.399  -0.979   1.117
  147    HB2  GLU  24           1HB      GLU  24  11.638   0.718   3.458
  148    HB3  GLU  24           2HB      GLU  24  13.135  -0.201   3.524
  149    HG2  GLU  24           1HG      GLU  24  12.520   1.581   1.201
  150    HG3  GLU  24           2HG      GLU  24  13.211   2.222   2.690
  151    H    ASP  25           H        ASP  25  10.572  -1.283   4.167
  152    HA   ASP  25           HA       ASP  25  11.837  -3.727   4.882
  153    HB2  ASP  25           1HB      ASP  25   9.266  -2.526   5.933
  154    HB3  ASP  25           2HB      ASP  25  10.192  -3.814   6.699
  155    H    GLN  26           H        GLN  26   9.350  -2.987   2.715
  156    HA   GLN  26           HA       GLN  26   7.920  -4.244   1.472
  157    HB2  GLN  26           1HB      GLN  26  10.211  -5.602   1.441
  158    HB3  GLN  26           2HB      GLN  26   9.233  -6.785   2.299
  159    HG2  GLN  26           1HG      GLN  26   9.099  -5.887  -0.511
  160    HG3  GLN  26           2HG      GLN  26   8.855  -7.488   0.185
  161   HE21  GLN  26          1HE2      GLN  26   7.384  -4.452  -0.617
  162   HE22  GLN  26          2HE2      GLN  26   5.746  -4.951  -0.394
  163    H    GLU  27           H        GLU  27   7.008  -3.605   3.991
  164    HA   GLU  27           HA       GLU  27   5.145  -5.785   4.451
  165    HB2  GLU  27           1HB      GLU  27   5.540  -5.988   6.795
  166    HB3  GLU  27           2HB      GLU  27   7.093  -6.173   5.991
  167    HG2  GLU  27           1HG      GLU  27   7.788  -4.007   6.626
  168    HG3  GLU  27           2HG      GLU  27   6.164  -3.563   7.148
  169    H    ALA  28           H        ALA  28   3.454  -5.100   6.109
  170    HA   ALA  28           HA       ALA  28   2.613  -2.399   5.432
  171    HB1  ALA  28           1HB      ALA  28   0.844  -3.905   7.187
  172    HB2  ALA  28           2HB      ALA  28   0.526  -3.169   5.616
  173    HB3  ALA  28           3HB      ALA  28   1.254  -4.773   5.707
  174    H    VAL  29           H        VAL  29   2.223  -0.765   6.893
  175    HA   VAL  29           HA       VAL  29   2.898  -1.252   9.706
  176    HB   VAL  29           HB       VAL  29   4.230   0.809   9.803
  177   HG11  VAL  29          1HG1      VAL  29   6.190  -0.030   8.450
  178   HG12  VAL  29          2HG1      VAL  29   5.482  -1.189   9.577
  179   HG13  VAL  29          3HG1      VAL  29   5.124  -1.302   7.853
  180   HG21  VAL  29          1HG2      VAL  29   3.017   1.557   7.532
  181   HG22  VAL  29          2HG2      VAL  29   4.553   2.234   8.073
  182   HG23  VAL  29          3HG2      VAL  29   4.532   0.947   6.867
  183    H    CYS  30           H        CYS  30   1.943   0.173  11.185
  184    HA   CYS  30           HA       CYS  30  -0.560   1.269  10.333
  185    HB2  CYS  30           1HB      CYS  30  -0.874   1.850  12.690
  186    HB3  CYS  30           2HB      CYS  30  -0.303   0.192  12.528
  187    H    LEU  31           H        LEU  31  -1.253   3.475  10.706
  188    HA   LEU  31           HA       LEU  31   0.187   5.400   9.437
  189    HB2  LEU  31           1HB      LEU  31  -1.226   7.054  10.494
  190    HB3  LEU  31           2HB      LEU  31  -2.166   5.630  10.054
  191    HG   LEU  31           HG       LEU  31  -1.639   5.014  12.602
  192   HD11  LEU  31          1HD1      LEU  31  -0.343   7.114  12.912
  193   HD12  LEU  31          2HD1      LEU  31  -1.703   6.941  14.021
  194   HD13  LEU  31          3HD1      LEU  31  -1.830   8.020  12.632
  195   HD21  LEU  31          1HD2      LEU  31  -3.827   6.965  11.949
  196   HD22  LEU  31          2HD2      LEU  31  -3.854   5.620  13.089
  197   HD23  LEU  31          3HD2      LEU  31  -3.841   5.305  11.353
  198    H    ILE  32           H        ILE  32   0.246   4.688  12.906
  199    HA   ILE  32           HA       ILE  32   1.902   6.784  13.721
  200    HB   ILE  32           HB       ILE  32   1.762   4.000  14.885
  201   HG12  ILE  32          1HG1      ILE  32   0.319   6.394  15.968
  202   HG13  ILE  32          2HG1      ILE  32  -0.380   5.487  14.632
  203   HG21  ILE  32          1HG2      ILE  32   3.417   4.703  16.198
  204   HG22  ILE  32          2HG2      ILE  32   3.295   6.353  15.589
  205   HG23  ILE  32          3HG2      ILE  32   2.256   5.822  16.912
  206   HD11  ILE  32          1HD1      ILE  32  -0.797   3.650  15.920
  207   HD12  ILE  32          2HD1      ILE  32   0.512   4.007  17.049
  208   HD13  ILE  32          3HD1      ILE  32  -0.987   4.933  17.115
  209    H    CYS  33           H        CYS  33   2.758   3.471  12.744
  210    HA   CYS  33           HA       CYS  33   5.492   3.584  13.113
  211    HB2  CYS  33           1HB      CYS  33   3.696   2.048  11.301
  212    HB3  CYS  33           2HB      CYS  33   5.422   2.016  10.955
  213    H    ALA  34           H        ALA  34   3.811   4.159  10.017
  214    HA   ALA  34           HA       ALA  34   5.742   4.906   8.351
  215    HB1  ALA  34           1HB      ALA  34   3.917   7.005   8.037
  216    HB2  ALA  34           2HB      ALA  34   3.932   5.458   7.190
  217    HB3  ALA  34           3HB      ALA  34   2.983   5.646   8.664
  218    H    ILE  35           H        ILE  35   4.559   6.941  10.993
  219    HA   ILE  35           HA       ILE  35   5.775   9.323  10.549
  220    HB   ILE  35           HB       ILE  35   5.753   7.891  13.208
  221   HG12  ILE  35          1HG1      ILE  35   3.522   8.024  12.174
  222   HG13  ILE  35          2HG1      ILE  35   3.634   9.055  13.596
  223   HG21  ILE  35          1HG2      ILE  35   5.599  10.332  14.013
  224   HG22  ILE  35          2HG2      ILE  35   7.169   9.711  13.505
  225   HG23  ILE  35          3HG2      ILE  35   6.234  10.739  12.419
  226   HD11  ILE  35          1HD1      ILE  35   2.534  10.405  12.102
  227   HD12  ILE  35          2HD1      ILE  35   4.208  10.908  11.870
  228   HD13  ILE  35          3HD1      ILE  35   3.451   9.807  10.720
  229    H    SER  36           H        SER  36   7.333   6.508  12.076
  230    HA   SER  36           HA       SER  36   9.889   7.763  12.242
  231    HB2  SER  36           1HB      SER  36   8.975   4.902  12.542
  232    HB3  SER  36           2HB      SER  36  10.667   5.373  12.696
  233    HG   SER  36           HG       SER  36   8.935   6.917  14.163
  234    H    HIS  37           H        HIS  37   8.814   4.971  10.294
  235    HA   HIS  37           HA       HIS  37  10.897   4.524   8.678
  236    HB2  HIS  37           1HB      HIS  37   8.024   4.760   7.762
  237    HB3  HIS  37           2HB      HIS  37   9.306   3.964   6.853
  238    HD2  HIS  37           2HD      HIS  37   6.984   3.300   9.896
  239    HE1  HIS  37           1HE      HIS  37   9.292  -0.191   9.198
  240    HE2  HIS  37           2HE      HIS  37   7.323   0.791  10.424
  241    H    THR  38           H        THR  38   8.372   6.821   7.640
  242    HA   THR  38           HA       THR  38   9.469   7.947   5.473
  243    HB   THR  38           HB       THR  38   8.438   9.861   7.532
  244    HG1  THR  38           1HG      THR  38   7.085   7.654   6.434
  245   HG21  THR  38          1HG2      THR  38   8.042   9.492   4.564
  246   HG22  THR  38          2HG2      THR  38   8.932  10.781   5.374
  247   HG23  THR  38          3HG2      THR  38   7.178  10.685   5.532
  248    H    HIS  39           H        HIS  39  10.365   8.780   8.803
  249    HA   HIS  39           HA       HIS  39  12.219  10.798   8.149
  250    HB2  HIS  39           1HB      HIS  39  11.201  10.320  10.427
  251    HB3  HIS  39           2HB      HIS  39  12.369   9.010  10.576
  252    HD1  HIS  39           1HD      HIS  39  11.993  12.637  10.978
  253    HD2  HIS  39           2HD      HIS  39  15.112   9.910  10.667
  254    HE1  HIS  39           1HE      HIS  39  14.038  13.860  11.782
  255    H    ARG  40           H        ARG  40  12.572   7.312   8.607
  256    HA   ARG  40           HA       ARG  40  15.427   7.398   8.185
  257    HB2  ARG  40           1HB      ARG  40  13.438   5.173   8.582
  258    HB3  ARG  40           2HB      ARG  40  15.112   4.848   8.150
  259    HG2  ARG  40           1HG      ARG  40  15.725   6.258  10.189
  260    HG3  ARG  40           2HG      ARG  40  14.032   6.083  10.656
  261    HD2  ARG  40           1HD      ARG  40  14.218   3.776  10.920
  262    HD3  ARG  40           2HD      ARG  40  15.682   3.688   9.941
  263    HE   ARG  40           HE       ARG  40  16.124   5.243  12.268
  264   HH11  ARG  40          2HH1      ARG  40  15.743   1.956  11.185
  265   HH12  ARG  40          1HH1      ARG  40  16.691   1.285  12.471
  266   HH21  ARG  40          2HH2      ARG  40  17.373   4.371  13.966
  267   HH22  ARG  40          1HH2      ARG  40  17.616   2.659  14.053
  268    H    ALA  41           H        ALA  41  13.995   8.541   6.053
  269    HA   ALA  41           HA       ALA  41  13.660   8.439   3.789
  270    HB1  ALA  41           1HB      ALA  41  15.753   6.924   2.850
  271    HB2  ALA  41           2HB      ALA  41  15.808   8.649   3.219
  272    HB3  ALA  41           3HB      ALA  41  16.332   7.472   4.423
  273    H    HIS  42           H        HIS  42  12.207   6.440   5.207
  274    HA   HIS  42           HA       HIS  42  12.385   4.078   3.484
  275    HB2  HIS  42           1HB      HIS  42  11.259   4.626   6.182
  276    HB3  HIS  42           2HB      HIS  42  10.459   3.394   5.210
  277    HD2  HIS  42           2HD      HIS  42  14.317   3.571   4.920
  278    HE1  HIS  42           1HE      HIS  42  13.334   0.228   7.340
  279    HE2  HIS  42           2HE      HIS  42  15.184   1.489   6.188
  280    H    THR  43           H        THR  43  11.037   3.800   1.839
  281    HA   THR  43           HA       THR  43   9.092   5.719   1.133
  282    HB   THR  43           HB       THR  43   9.508   2.914   0.083
  283    HG1  THR  43           1HG      THR  43  10.157   5.247  -1.335
  284   HG21  THR  43          1HG2      THR  43   8.065   5.119  -1.357
  285   HG22  THR  43          2HG2      THR  43   7.207   4.016  -0.281
  286   HG23  THR  43          3HG2      THR  43   8.060   3.388  -1.691
  287    H    VAL  44           H        VAL  44   6.971   5.869   1.548
  288    HA   VAL  44           HA       VAL  44   5.579   3.551   2.694
  289    HB   VAL  44           HB       VAL  44   5.462   6.354   3.819
  290   HG11  VAL  44          1HG1      VAL  44   3.729   5.731   5.178
  291   HG12  VAL  44          2HG1      VAL  44   3.347   4.786   3.738
  292   HG13  VAL  44          3HG1      VAL  44   4.145   4.019   5.111
  293   HG21  VAL  44          1HG2      VAL  44   7.039   5.744   5.260
  294   HG22  VAL  44          2HG2      VAL  44   6.131   4.299   5.706
  295   HG23  VAL  44          3HG2      VAL  44   7.250   4.252   4.343
  296    H    VAL  45           H        VAL  45   3.661   3.186   1.783
  297    HA   VAL  45           HA       VAL  45   2.212   5.406   0.532
  298    HB   VAL  45           HB       VAL  45   1.772   4.167  -1.489
  299   HG11  VAL  45          1HG1      VAL  45   3.965   5.483  -1.119
  300   HG12  VAL  45          2HG1      VAL  45   4.732   3.894  -1.126
  301   HG13  VAL  45          3HG1      VAL  45   3.825   4.443  -2.536
  302   HG21  VAL  45          1HG2      VAL  45   3.580   1.996  -0.439
  303   HG22  VAL  45          2HG2      VAL  45   1.818   1.916  -0.408
  304   HG23  VAL  45          3HG2      VAL  45   2.670   1.995  -1.950
  305    HA   PRO  46           HA       PRO  46  -1.313   3.569   2.408
  306    HB2  PRO  46           1HB      PRO  46  -3.262   4.461   0.742
  307    HB3  PRO  46           2HB      PRO  46  -2.428   5.511   1.894
  308    HG2  PRO  46           1HG      PRO  46  -1.950   5.163  -1.041
  309    HG3  PRO  46           2HG      PRO  46  -1.995   6.655  -0.084
  310    HD2  PRO  46           1HD      PRO  46   0.323   5.473  -0.832
  311    HD3  PRO  46           2HD      PRO  46   0.157   6.372   0.690
  312    H    LEU  47           H        LEU  47  -2.283   1.629   2.341
  313    HA   LEU  47           HA       LEU  47  -1.860  -0.114   0.127
  314    HB2  LEU  47           1HB      LEU  47  -3.337  -0.348   2.724
  315    HB3  LEU  47           2HB      LEU  47  -3.430  -1.619   1.507
  316    HG   LEU  47           HG       LEU  47  -0.781  -1.445   1.687
  317   HD11  LEU  47          1HD1      LEU  47  -1.840  -0.270   4.220
  318   HD12  LEU  47          2HD1      LEU  47  -0.442   0.209   3.258
  319   HD13  LEU  47          3HD1      LEU  47  -0.375  -1.251   4.245
  320   HD21  LEU  47          1HD2      LEU  47  -0.855  -3.329   3.209
  321   HD22  LEU  47          2HD2      LEU  47  -2.169  -3.445   2.039
  322   HD23  LEU  47          3HD2      LEU  47  -2.501  -2.909   3.686
  323    H    SER  48           H        SER  48  -4.912   0.889   1.684
  324    HA   SER  48           HA       SER  48  -6.381   0.229  -0.727
  325    HB2  SER  48           1HB      SER  48  -7.305  -0.338   1.497
  326    HB3  SER  48           2HB      SER  48  -7.371   1.379   1.894
  327    HG   SER  48           HG       SER  48  -8.865   1.661   0.227
  328    H    GLY  49           H        GLY  49  -4.452   2.502  -0.646
  329    HA2  GLY  49           1HA      GLY  49  -4.372   4.506  -1.800
  330    HA3  GLY  49           2HA      GLY  49  -6.108   4.388  -2.051
  331    HA   PRO  50           HA       PRO  50  -5.262   7.834   0.950
  332    HB2  PRO  50           1HB      PRO  50  -6.833   9.649  -0.317
  333    HB3  PRO  50           2HB      PRO  50  -5.135   9.393  -0.734
  334    HG2  PRO  50           1HG      PRO  50  -7.594   8.337  -2.075
  335    HG3  PRO  50           2HG      PRO  50  -6.123   9.006  -2.803
  336    HD2  PRO  50           1HD      PRO  50  -6.582   6.343  -2.632
  337    HD3  PRO  50           2HD      PRO  50  -4.951   7.038  -2.549
  338    H    SER  51           H        SER  51  -6.712   8.755   2.461
  339    HA   SER  51           HA       SER  51  -9.239   7.290   2.676
  340    HB2  SER  51           1HB      SER  51  -7.496   7.366   4.562
  341    HB3  SER  51           2HB      SER  51  -8.022   9.030   4.817
  342    HG   SER  51           HG       SER  51  -9.652   8.253   5.868
  343    H    SER  52           H        SER  52 -10.784   8.347   1.566
  344    HA   SER  52           HA       SER  52 -10.964  11.090   1.127
  345    HB2  SER  52           1HB      SER  52 -12.282   9.111   0.058
  346    HB3  SER  52           2HB      SER  52 -13.432   9.393   1.364
  347    HG   SER  52           HG       SER  52 -13.790  11.438   0.600
  348    H    GLY  53           H        GLY  53 -12.455  12.663   1.994
  349    HA2  GLY  53           1HA      GLY  53 -13.837  12.226   4.446
  350    HA3  GLY  53           2HA      GLY  53 -12.294  13.018   4.732
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -22.643  -8.988  21.026
    2    HA2  GLY   1           1HA      GLY   1 -20.969  -7.406  20.604
    3    HA3  GLY   1           2HA      GLY   1 -20.290  -8.257  21.984
    4    H    SER   2           H        SER   2 -20.481  -8.457  18.436
    5    HA   SER   2           HA       SER   2 -17.748  -9.561  18.452
    6    HB2  SER   2           1HB      SER   2 -19.888  -9.883  16.333
    7    HB3  SER   2           2HB      SER   2 -18.275 -10.595  16.291
    8    HG   SER   2           HG       SER   2 -19.493 -11.201  18.609
    9    H    SER   3           H        SER   3 -18.105  -6.819  18.678
   10    HA   SER   3           HA       SER   3 -17.322  -5.855  16.004
   11    HB2  SER   3           1HB      SER   3 -18.558  -4.242  18.249
   12    HB3  SER   3           2HB      SER   3 -18.161  -3.654  16.634
   13    HG   SER   3           HG       SER   3 -20.432  -4.583  17.326
   14    H    GLY   4           H        GLY   4 -15.444  -7.072  17.647
   15    HA2  GLY   4           1HA      GLY   4 -14.014  -5.087  19.167
   16    HA3  GLY   4           2HA      GLY   4 -13.474  -6.721  18.813
   17    H    SER   5           H        SER   5 -12.413  -7.140  16.819
   18    HA   SER   5           HA       SER   5 -10.958  -4.812  15.838
   19    HB2  SER   5           1HB      SER   5  -9.640  -6.759  16.494
   20    HB3  SER   5           2HB      SER   5 -10.529  -7.771  15.356
   21    HG   SER   5           HG       SER   5  -9.129  -7.170  13.926
   22    H    SER   6           H        SER   6 -11.689  -3.768  14.120
   23    HA   SER   6           HA       SER   6 -13.393  -5.165  12.196
   24    HB2  SER   6           1HB      SER   6 -14.094  -2.992  11.443
   25    HB3  SER   6           2HB      SER   6 -14.115  -2.973  13.207
   26    HG   SER   6           HG       SER   6 -11.920  -2.053  11.669
   27    H    GLY   7           H        GLY   7 -10.387  -3.321  12.383
   28    HA2  GLY   7           1HA      GLY   7  -9.797  -3.118   9.669
   29    HA3  GLY   7           2HA      GLY   7  -8.598  -3.193  10.951
   30    H    GLU   8           H        GLU   8  -8.310  -4.304   8.345
   31    HA   GLU   8           HA       GLU   8  -8.717  -7.154   8.563
   32    HB2  GLU   8           1HB      GLU   8  -8.921  -6.128   6.380
   33    HB3  GLU   8           2HB      GLU   8  -7.295  -5.470   6.496
   34    HG2  GLU   8           1HG      GLU   8  -7.292  -7.379   5.041
   35    HG3  GLU   8           2HG      GLU   8  -6.393  -7.756   6.509
   36    H    SER   9           H        SER   9  -6.191  -4.872   9.198
   37    HA   SER   9           HA       SER   9  -4.572  -6.949  10.388
   38    HB2  SER   9           1HB      SER   9  -3.960  -6.733   7.874
   39    HB3  SER   9           2HB      SER   9  -3.202  -5.213   8.349
   40    HG   SER   9           HG       SER   9  -1.702  -6.904   8.443
   41    H    LEU  10           H        LEU  10  -3.688  -6.197  12.199
   42    HA   LEU  10           HA       LEU  10  -3.279  -3.291  12.457
   43    HB2  LEU  10           1HB      LEU  10  -4.117  -5.139  14.681
   44    HB3  LEU  10           2HB      LEU  10  -3.990  -3.382  14.740
   45    HG   LEU  10           HG       LEU  10  -5.960  -4.795  12.959
   46   HD11  LEU  10          1HD1      LEU  10  -7.638  -4.312  14.714
   47   HD12  LEU  10          2HD1      LEU  10  -6.324  -3.875  15.806
   48   HD13  LEU  10          3HD1      LEU  10  -6.451  -5.525  15.196
   49   HD21  LEU  10          1HD2      LEU  10  -5.152  -2.110  13.271
   50   HD22  LEU  10          2HD2      LEU  10  -6.770  -2.247  13.961
   51   HD23  LEU  10          3HD2      LEU  10  -6.477  -2.744  12.294
   52    H    CYS  11           H        CYS  11  -1.478  -2.601  13.598
   53    HA   CYS  11           HA       CYS  11   0.830  -4.147  13.437
   54    HB2  CYS  11           1HB      CYS  11   0.431  -1.552  13.811
   55    HB3  CYS  11           2HB      CYS  11   0.671  -1.994  15.498
   56    HA   PRO  12           HA       PRO  12   0.487  -6.840  16.922
   57    HB2  PRO  12           1HB      PRO  12   3.074  -7.658  17.003
   58    HB3  PRO  12           2HB      PRO  12   1.925  -8.227  15.787
   59    HG2  PRO  12           1HG      PRO  12   4.015  -6.095  15.567
   60    HG3  PRO  12           2HG      PRO  12   3.583  -7.362  14.404
   61    HD2  PRO  12           1HD      PRO  12   2.726  -4.806  14.157
   62    HD3  PRO  12           2HD      PRO  12   1.760  -6.193  13.616
   63    H    GLN  13           H        GLN  13   1.991  -3.882  16.896
   64    HA   GLN  13           HA       GLN  13   2.651  -4.099  19.757
   65    HB2  GLN  13           1HB      GLN  13   4.645  -3.884  18.153
   66    HB3  GLN  13           2HB      GLN  13   4.092  -2.238  17.881
   67    HG2  GLN  13           1HG      GLN  13   5.572  -1.843  19.544
   68    HG3  GLN  13           2HG      GLN  13   4.144  -2.173  20.523
   69   HE21  GLN  13          1HE2      GLN  13   6.990  -3.710  19.108
   70   HE22  GLN  13          2HE2      GLN  13   7.202  -4.880  20.361
   71    H    HIS  14           H        HIS  14   1.813  -1.857  17.129
   72    HA   HIS  14           HA       HIS  14   0.786   0.075  19.046
   73    HB2  HIS  14           1HB      HIS  14   0.810   0.210  16.025
   74    HB3  HIS  14           2HB      HIS  14   0.475   1.539  17.131
   75    HD2  HIS  14           2HD      HIS  14   2.814   2.319  18.698
   76    HE1  HIS  14           1HE      HIS  14   5.501   0.761  15.808
   77    HE2  HIS  14           2HE      HIS  14   5.266   2.163  17.887
   78    H    HIS  15           H        HIS  15  -0.357  -2.556  17.252
   79    HA   HIS  15           HA       HIS  15  -2.435  -3.311  16.665
   80    HB2  HIS  15           1HB      HIS  15  -3.458  -1.878  19.100
   81    HB3  HIS  15           2HB      HIS  15  -3.931  -3.451  18.464
   82    HD1  HIS  15           1HD      HIS  15  -1.908  -1.937  21.025
   83    HD2  HIS  15           2HD      HIS  15  -1.731  -5.431  18.783
   84    HE1  HIS  15           1HE      HIS  15  -0.347  -3.461  22.276
   85    H    GLU  16           H        GLU  16  -1.798  -0.937  15.343
   86    HA   GLU  16           HA       GLU  16  -4.377   0.486  15.297
   87    HB2  GLU  16           1HB      GLU  16  -1.582   1.393  14.660
   88    HB3  GLU  16           2HB      GLU  16  -2.984   2.262  14.051
   89    HG2  GLU  16           1HG      GLU  16  -2.548   1.691  16.967
   90    HG3  GLU  16           2HG      GLU  16  -1.969   3.152  16.168
   91    H    ALA  17           H        ALA  17  -5.371   0.906  13.317
   92    HA   ALA  17           HA       ALA  17  -5.373  -1.073  11.410
   93    HB1  ALA  17           1HB      ALA  17  -7.175   0.522  11.592
   94    HB2  ALA  17           2HB      ALA  17  -6.115   1.828  11.060
   95    HB3  ALA  17           3HB      ALA  17  -6.545   0.532   9.945
   96    H    LEU  18           H        LEU  18  -3.791  -1.747  10.128
   97    HA   LEU  18           HA       LEU  18  -1.568  -0.080   9.430
   98    HB2  LEU  18           1HB      LEU  18  -2.288  -2.786   8.320
   99    HB3  LEU  18           2HB      LEU  18  -0.708  -2.006   8.278
  100    HG   LEU  18           HG       LEU  18  -2.078  -2.852  10.825
  101   HD11  LEU  18          1HD1      LEU  18  -1.261  -4.931  10.653
  102   HD12  LEU  18          2HD1      LEU  18   0.233  -4.391   9.889
  103   HD13  LEU  18          3HD1      LEU  18  -1.227  -4.596   8.922
  104   HD21  LEU  18          1HD2      LEU  18  -0.283  -2.068  11.912
  105   HD22  LEU  18          2HD2      LEU  18  -0.011  -1.115  10.453
  106   HD23  LEU  18          3HD2      LEU  18   0.839  -2.644  10.679
  107    H    SER  19           H        SER  19  -2.868   1.600   8.362
  108    HA   SER  19           HA       SER  19  -3.931   0.910   5.739
  109    HB2  SER  19           1HB      SER  19  -3.955   3.433   7.391
  110    HB3  SER  19           2HB      SER  19  -4.482   3.415   5.708
  111    HG   SER  19           HG       SER  19  -5.785   2.571   7.928
  112    H    LEU  20           H        LEU  20  -1.075   0.683   6.238
  113    HA   LEU  20           HA       LEU  20  -0.162   2.249   3.977
  114    HB2  LEU  20           1HB      LEU  20   0.998   2.535   6.736
  115    HB3  LEU  20           2HB      LEU  20   1.891   2.965   5.279
  116    HG   LEU  20           HG       LEU  20  -0.717   4.217   6.136
  117   HD11  LEU  20          1HD1      LEU  20   2.121   4.888   6.691
  118   HD12  LEU  20          2HD1      LEU  20   0.687   5.106   7.693
  119   HD13  LEU  20          3HD1      LEU  20   1.004   6.211   6.356
  120   HD21  LEU  20          1HD2      LEU  20   0.167   5.956   4.429
  121   HD22  LEU  20          2HD2      LEU  20  -0.631   4.498   3.840
  122   HD23  LEU  20          3HD2      LEU  20   1.130   4.612   3.816
  123    H    PHE  21           H        PHE  21   2.036   1.596   3.281
  124    HA   PHE  21           HA       PHE  21   2.967  -0.966   4.307
  125    HB2  PHE  21           1HB      PHE  21   1.435  -1.761   2.670
  126    HB3  PHE  21           2HB      PHE  21   1.945  -0.549   1.500
  127    HD1  PHE  21           1HD      PHE  21   2.898  -3.674   3.191
  128    HD2  PHE  21           2HD      PHE  21   3.838  -0.894   0.108
  129    HE1  PHE  21           1HE      PHE  21   4.507  -5.275   2.243
  130    HE2  PHE  21           2HE      PHE  21   5.448  -2.491  -0.846
  131    HZ   PHE  21           HZ       PHE  21   5.784  -4.686   0.221
  132    H    CYS  22           H        CYS  22   5.065  -0.684   4.622
  133    HA   CYS  22           HA       CYS  22   6.553   1.339   3.226
  134    HB2  CYS  22           1HB      CYS  22   6.981   0.854   5.597
  135    HB3  CYS  22           2HB      CYS  22   7.483  -0.780   5.175
  136    H    TYR  23           H        TYR  23   7.214   1.024   1.208
  137    HA   TYR  23           HA       TYR  23   7.405  -1.406  -0.122
  138    HB2  TYR  23           1HB      TYR  23   8.395   1.349  -0.618
  139    HB3  TYR  23           2HB      TYR  23   9.145   0.059  -1.551
  140    HD1  TYR  23           1HD      TYR  23   7.365  -1.653  -2.597
  141    HD2  TYR  23           2HD      TYR  23   6.560   2.390  -1.542
  142    HE1  TYR  23           1HE      TYR  23   5.468  -1.629  -4.162
  143    HE2  TYR  23           2HE      TYR  23   4.660   2.425  -3.103
  144    HH   TYR  23           HH       TYR  23   3.353  -0.369  -4.472
  145    H    GLU  24           H        GLU  24  10.165   0.594   0.943
  146    HA   GLU  24           HA       GLU  24  12.235  -1.079   0.446
  147    HB2  GLU  24           1HB      GLU  24  12.140   1.247   1.652
  148    HB3  GLU  24           2HB      GLU  24  12.160   0.274   3.116
  149    HG2  GLU  24           1HG      GLU  24  14.241   0.304   0.944
  150    HG3  GLU  24           2HG      GLU  24  14.394   0.968   2.570
  151    H    ASP  25           H        ASP  25  10.621  -1.004   3.629
  152    HA   ASP  25           HA       ASP  25  11.805  -3.369   4.575
  153    HB2  ASP  25           1HB      ASP  25   9.140  -2.224   5.430
  154    HB3  ASP  25           2HB      ASP  25  10.192  -3.278   6.371
  155    H    GLN  26           H        GLN  26   9.360  -2.898   2.278
  156    HA   GLN  26           HA       GLN  26   7.902  -4.278   1.201
  157    HB2  GLN  26           1HB      GLN  26  10.091  -6.179   2.008
  158    HB3  GLN  26           2HB      GLN  26   8.713  -6.708   1.053
  159    HG2  GLN  26           1HG      GLN  26  10.482  -4.426   0.230
  160    HG3  GLN  26           2HG      GLN  26  10.800  -6.100  -0.222
  161   HE21  GLN  26          1HE2      GLN  26   8.476  -3.477  -0.468
  162   HE22  GLN  26          2HE2      GLN  26   7.732  -4.024  -1.928
  163    H    GLU  27           H        GLU  27   7.042  -3.656   3.727
  164    HA   GLU  27           HA       GLU  27   5.437  -5.996   4.350
  165    HB2  GLU  27           1HB      GLU  27   5.941  -6.040   6.685
  166    HB3  GLU  27           2HB      GLU  27   7.469  -6.112   5.819
  167    HG2  GLU  27           1HG      GLU  27   8.109  -4.023   6.485
  168    HG3  GLU  27           2HG      GLU  27   6.451  -3.456   6.675
  169    H    ALA  28           H        ALA  28   3.880  -5.341   6.262
  170    HA   ALA  28           HA       ALA  28   2.717  -2.768   5.475
  171    HB1  ALA  28           1HB      ALA  28   0.813  -3.895   7.015
  172    HB2  ALA  28           2HB      ALA  28   0.958  -4.163   5.277
  173    HB3  ALA  28           3HB      ALA  28   1.626  -5.338   6.410
  174    H    VAL  29           H        VAL  29   2.491  -1.102   6.857
  175    HA   VAL  29           HA       VAL  29   3.134  -1.552   9.695
  176    HB   VAL  29           HB       VAL  29   4.360   0.557   9.773
  177   HG11  VAL  29          1HG1      VAL  29   5.579  -0.968   7.506
  178   HG12  VAL  29          2HG1      VAL  29   6.357  -0.246   8.915
  179   HG13  VAL  29          3HG1      VAL  29   5.401  -1.718   9.092
  180   HG21  VAL  29          1HG2      VAL  29   4.943   1.127   7.107
  181   HG22  VAL  29          2HG2      VAL  29   3.195   0.896   7.153
  182   HG23  VAL  29          3HG2      VAL  29   3.955   2.088   8.208
  183    H    CYS  30           H        CYS  30   2.435   0.304  11.087
  184    HA   CYS  30           HA       CYS  30  -0.219   1.189  10.217
  185    HB2  CYS  30           1HB      CYS  30  -0.733   1.499  12.552
  186    HB3  CYS  30           2HB      CYS  30   0.008  -0.086  12.353
  187    H    LEU  31           H        LEU  31  -0.928   3.369  10.960
  188    HA   LEU  31           HA       LEU  31   0.561   5.395   9.858
  189    HB2  LEU  31           1HB      LEU  31  -1.803   5.601  10.401
  190    HB3  LEU  31           2HB      LEU  31  -1.420   5.593  12.122
  191    HG   LEU  31           HG       LEU  31  -0.320   7.728  10.330
  192   HD11  LEU  31          1HD1      LEU  31  -2.333   9.081  11.131
  193   HD12  LEU  31          2HD1      LEU  31  -3.095   7.524  11.452
  194   HD13  LEU  31          3HD1      LEU  31  -2.591   7.938   9.813
  195   HD21  LEU  31          1HD2      LEU  31   0.468   8.527  12.242
  196   HD22  LEU  31          2HD2      LEU  31  -0.148   7.097  13.070
  197   HD23  LEU  31          3HD2      LEU  31  -1.151   8.543  12.941
  198    H    ILE  32           H        ILE  32   0.686   4.132  13.127
  199    HA   ILE  32           HA       ILE  32   2.233   6.188  14.281
  200    HB   ILE  32           HB       ILE  32   2.321   3.289  15.098
  201   HG12  ILE  32          1HG1      ILE  32  -0.020   3.955  14.858
  202   HG13  ILE  32          2HG1      ILE  32   0.398   3.783  16.559
  203   HG21  ILE  32          1HG2      ILE  32   3.139   3.996  17.109
  204   HG22  ILE  32          2HG2      ILE  32   3.816   5.240  16.060
  205   HG23  ILE  32          3HG2      ILE  32   2.360   5.574  16.997
  206   HD11  ILE  32          1HD1      ILE  32   0.812   6.486  15.638
  207   HD12  ILE  32          2HD1      ILE  32  -0.843   5.943  15.361
  208   HD13  ILE  32          3HD1      ILE  32  -0.156   5.884  16.983
  209    H    CYS  33           H        CYS  33   3.195   3.022  12.956
  210    HA   CYS  33           HA       CYS  33   5.945   3.292  13.327
  211    HB2  CYS  33           1HB      CYS  33   4.277   1.712  11.391
  212    HB3  CYS  33           2HB      CYS  33   6.035   1.685  11.287
  213    H    ALA  34           H        ALA  34   4.020   3.980  10.408
  214    HA   ALA  34           HA       ALA  34   5.782   4.773   8.582
  215    HB1  ALA  34           1HB      ALA  34   3.100   5.603   9.262
  216    HB2  ALA  34           2HB      ALA  34   4.018   6.922   8.533
  217    HB3  ALA  34           3HB      ALA  34   3.846   5.389   7.678
  218    H    ILE  35           H        ILE  35   4.738   6.929  11.224
  219    HA   ILE  35           HA       ILE  35   6.111   9.190  10.772
  220    HB   ILE  35           HB       ILE  35   6.023   7.763  13.432
  221   HG12  ILE  35          1HG1      ILE  35   4.230  10.015  12.583
  222   HG13  ILE  35          2HG1      ILE  35   3.854   8.363  12.108
  223   HG21  ILE  35          1HG2      ILE  35   6.016  10.626  13.601
  224   HG22  ILE  35          2HG2      ILE  35   7.124   9.466  14.333
  225   HG23  ILE  35          3HG2      ILE  35   7.433  10.076  12.708
  226   HD11  ILE  35          1HD1      ILE  35   4.316   8.083  14.775
  227   HD12  ILE  35          2HD1      ILE  35   3.582   9.685  14.693
  228   HD13  ILE  35          3HD1      ILE  35   2.731   8.290  14.030
  229    H    SER  36           H        SER  36   7.543   6.271  12.213
  230    HA   SER  36           HA       SER  36  10.156   7.348  12.434
  231    HB2  SER  36           1HB      SER  36   9.034   5.211  13.528
  232    HB3  SER  36           2HB      SER  36   9.738   4.405  12.127
  233    HG   SER  36           HG       SER  36  11.676   5.826  12.953
  234    H    HIS  37           H        HIS  37   8.842   4.927  10.166
  235    HA   HIS  37           HA       HIS  37  10.986   4.589   8.512
  236    HB2  HIS  37           1HB      HIS  37   8.098   4.816   7.637
  237    HB3  HIS  37           2HB      HIS  37   9.392   4.049   6.721
  238    HD2  HIS  37           2HD      HIS  37   7.027   3.292   9.704
  239    HE1  HIS  37           1HE      HIS  37   9.373  -0.165   8.963
  240    HE2  HIS  37           2HE      HIS  37   7.374   0.772  10.175
  241    H    THR  38           H        THR  38   8.353   6.874   7.747
  242    HA   THR  38           HA       THR  38   9.404   8.195   5.638
  243    HB   THR  38           HB       THR  38   8.263  10.283   6.497
  244    HG1  THR  38           1HG      THR  38   7.721   8.535   8.683
  245   HG21  THR  38          1HG2      THR  38   6.357   8.019   6.828
  246   HG22  THR  38          2HG2      THR  38   7.211   8.176   5.293
  247   HG23  THR  38          3HG2      THR  38   6.200   9.496   5.879
  248    H    HIS  39           H        HIS  39  10.337   8.607   9.005
  249    HA   HIS  39           HA       HIS  39  11.986  10.885   8.596
  250    HB2  HIS  39           1HB      HIS  39  11.012  10.045  10.804
  251    HB3  HIS  39           2HB      HIS  39  12.317   8.863  10.809
  252    HD1  HIS  39           1HD      HIS  39  12.264  12.620  10.157
  253    HD2  HIS  39           2HD      HIS  39  14.232   9.781  12.465
  254    HE1  HIS  39           1HE      HIS  39  13.991  13.897  11.465
  255    H    ARG  40           H        ARG  40  12.577   7.406   8.615
  256    HA   ARG  40           HA       ARG  40  15.421   7.761   8.199
  257    HB2  ARG  40           1HB      ARG  40  13.636   5.340   8.387
  258    HB3  ARG  40           2HB      ARG  40  15.338   5.219   7.959
  259    HG2  ARG  40           1HG      ARG  40  15.948   6.252  10.088
  260    HG3  ARG  40           2HG      ARG  40  14.240   6.369  10.517
  261    HD2  ARG  40           1HD      ARG  40  14.065   3.913  10.355
  262    HD3  ARG  40           2HD      ARG  40  15.792   3.833  10.008
  263    HE   ARG  40           HE       ARG  40  15.340   5.231  12.423
  264   HH11  ARG  40          2HH1      ARG  40  15.293   2.024  11.070
  265   HH12  ARG  40          1HH1      ARG  40  15.646   1.242  12.575
  266   HH21  ARG  40          2HH2      ARG  40  15.806   4.214  14.411
  267   HH22  ARG  40          1HH2      ARG  40  15.937   2.489  14.475
  268    H    ALA  41           H        ALA  41  13.791   8.946   6.205
  269    HA   ALA  41           HA       ALA  41  13.432   9.029   3.947
  270    HB1  ALA  41           1HB      ALA  41  16.142   8.621   4.489
  271    HB2  ALA  41           2HB      ALA  41  15.770   7.565   3.126
  272    HB3  ALA  41           3HB      ALA  41  15.433   9.293   3.021
  273    H    HIS  42           H        HIS  42  12.010   6.947   5.046
  274    HA   HIS  42           HA       HIS  42  12.401   4.699   3.196
  275    HB2  HIS  42           1HB      HIS  42  11.218   4.964   5.911
  276    HB3  HIS  42           2HB      HIS  42  10.497   3.772   4.834
  277    HD2  HIS  42           2HD      HIS  42  14.345   4.194   4.628
  278    HE1  HIS  42           1HE      HIS  42  13.524   0.600   6.728
  279    HE2  HIS  42           2HE      HIS  42  15.314   2.062   5.727
  280    H    THR  43           H        THR  43  10.853   4.099   1.751
  281    HA   THR  43           HA       THR  43   8.785   6.056   1.189
  282    HB   THR  43           HB       THR  43   9.386   3.528  -0.352
  283    HG1  THR  43           1HG      THR  43  11.078   5.400  -0.001
  284   HG21  THR  43          1HG2      THR  43   7.428   4.243  -1.273
  285   HG22  THR  43          2HG2      THR  43   8.531   5.278  -2.179
  286   HG23  THR  43          3HG2      THR  43   7.677   5.916  -0.775
  287    H    VAL  44           H        VAL  44   6.674   5.822   1.595
  288    HA   VAL  44           HA       VAL  44   5.597   3.158   2.157
  289    HB   VAL  44           HB       VAL  44   5.251   5.526   4.002
  290   HG11  VAL  44          1HG1      VAL  44   3.509   3.353   3.481
  291   HG12  VAL  44          2HG1      VAL  44   4.214   3.108   5.079
  292   HG13  VAL  44          3HG1      VAL  44   3.361   4.607   4.711
  293   HG21  VAL  44          1HG2      VAL  44   6.136   3.454   5.525
  294   HG22  VAL  44          2HG2      VAL  44   7.001   3.170   4.015
  295   HG23  VAL  44          3HG2      VAL  44   7.169   4.714   4.849
  296    H    VAL  45           H        VAL  45   3.633   2.844   1.300
  297    HA   VAL  45           HA       VAL  45   2.059   5.199   0.499
  298    HB   VAL  45           HB       VAL  45   1.441   4.141  -1.588
  299   HG11  VAL  45          1HG1      VAL  45   4.437   3.972  -1.371
  300   HG12  VAL  45          2HG1      VAL  45   3.468   4.420  -2.776
  301   HG13  VAL  45          3HG1      VAL  45   3.561   5.502  -1.386
  302   HG21  VAL  45          1HG2      VAL  45   1.410   1.856  -1.242
  303   HG22  VAL  45          2HG2      VAL  45   2.859   2.054  -2.228
  304   HG23  VAL  45          3HG2      VAL  45   3.002   1.843  -0.483
  305    HA   PRO  46           HA       PRO  46  -1.352   3.215   2.434
  306    HB2  PRO  46           1HB      PRO  46  -3.402   4.243   0.982
  307    HB3  PRO  46           2HB      PRO  46  -2.487   5.193   2.158
  308    HG2  PRO  46           1HG      PRO  46  -2.209   5.089  -0.821
  309    HG3  PRO  46           2HG      PRO  46  -2.180   6.497   0.257
  310    HD2  PRO  46           1HD      PRO  46   0.076   5.380  -0.740
  311    HD3  PRO  46           2HD      PRO  46   0.017   6.150   0.858
  312    H    LEU  47           H        LEU  47  -2.476   1.346   2.264
  313    HA   LEU  47           HA       LEU  47  -2.157  -0.244  -0.092
  314    HB2  LEU  47           1HB      LEU  47  -3.399  -0.629   2.591
  315    HB3  LEU  47           2HB      LEU  47  -3.787  -1.762   1.298
  316    HG   LEU  47           HG       LEU  47  -1.266  -2.100   1.069
  317   HD11  LEU  47          1HD1      LEU  47  -0.098  -0.567   2.232
  318   HD12  LEU  47          2HD1      LEU  47  -0.343  -1.692   3.567
  319   HD13  LEU  47          3HD1      LEU  47  -1.400  -0.292   3.389
  320   HD21  LEU  47          1HD2      LEU  47  -1.237  -3.622   3.088
  321   HD22  LEU  47          2HD2      LEU  47  -2.577  -3.852   1.963
  322   HD23  LEU  47          3HD2      LEU  47  -2.835  -2.985   3.479
  323    H    SER  48           H        SER  48  -3.390  -0.108  -1.835
  324    HA   SER  48           HA       SER  48  -5.127   0.556  -3.191
  325    HB2  SER  48           1HB      SER  48  -5.664  -1.780  -2.183
  326    HB3  SER  48           2HB      SER  48  -6.890  -0.919  -1.252
  327    HG   SER  48           HG       SER  48  -7.635  -0.104  -3.342
  328    H    GLY  49           H        GLY  49  -4.555   2.391  -0.946
  329    HA2  GLY  49           1HA      GLY  49  -7.236   3.620  -0.738
  330    HA3  GLY  49           2HA      GLY  49  -6.072   3.668   0.578
  331    HA   PRO  50           HA       PRO  50  -5.517   7.149  -2.726
  332    HB2  PRO  50           1HB      PRO  50  -7.323   9.004  -1.908
  333    HB3  PRO  50           2HB      PRO  50  -7.686   7.785  -3.135
  334    HG2  PRO  50           1HG      PRO  50  -8.371   7.801  -0.221
  335    HG3  PRO  50           2HG      PRO  50  -9.378   7.335  -1.604
  336    HD2  PRO  50           1HD      PRO  50  -8.136   5.517  -0.028
  337    HD3  PRO  50           2HD      PRO  50  -8.418   5.245  -1.760
  338    H    SER  51           H        SER  51  -6.658   7.768   0.602
  339    HA   SER  51           HA       SER  51  -5.107   9.983   1.165
  340    HB2  SER  51           1HB      SER  51  -6.941   8.885   2.592
  341    HB3  SER  51           2HB      SER  51  -5.660   7.850   3.224
  342    HG   SER  51           HG       SER  51  -5.893  10.665   3.414
  343    H    SER  52           H        SER  52  -2.990  10.146   0.806
  344    HA   SER  52           HA       SER  52  -1.241   7.872   1.361
  345    HB2  SER  52           1HB      SER  52   0.442   9.043   0.092
  346    HB3  SER  52           2HB      SER  52  -1.071   9.122  -0.811
  347    HG   SER  52           HG       SER  52   0.093  11.157   0.786
  348    H    GLY  53           H        GLY  53  -1.620  11.293   2.229
  349    HA2  GLY  53           1HA      GLY  53  -1.177  11.306   4.844
  350    HA3  GLY  53           2HA      GLY  53   0.460  11.049   4.261
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -19.963 -21.138  21.493
    2    HA2  GLY   1           1HA      GLY   1 -20.627 -19.310  20.228
    3    HA3  GLY   1           2HA      GLY   1 -20.057 -18.456  21.654
    4    H    SER   2           H        SER   2 -19.032 -16.708  20.912
    5    HA   SER   2           HA       SER   2 -17.570 -15.382  19.778
    6    HB2  SER   2           1HB      SER   2 -16.053 -17.158  20.938
    7    HB3  SER   2           2HB      SER   2 -15.826 -17.782  19.304
    8    HG   SER   2           HG       SER   2 -15.471 -15.043  19.848
    9    H    SER   3           H        SER   3 -19.656 -16.349  18.229
   10    HA   SER   3           HA       SER   3 -19.016 -17.611  15.847
   11    HB2  SER   3           1HB      SER   3 -21.089 -15.525  16.513
   12    HB3  SER   3           2HB      SER   3 -20.966 -16.231  14.901
   13    HG   SER   3           HG       SER   3 -22.019 -17.281  17.173
   14    H    GLY   4           H        GLY   4 -19.262 -16.352  13.640
   15    HA2  GLY   4           1HA      GLY   4 -18.222 -15.004  12.102
   16    HA3  GLY   4           2HA      GLY   4 -18.239 -13.764  13.348
   17    H    SER   5           H        SER   5 -16.180 -14.103  11.437
   18    HA   SER   5           HA       SER   5 -13.958 -15.102  13.090
   19    HB2  SER   5           1HB      SER   5 -12.678 -15.283  10.998
   20    HB3  SER   5           2HB      SER   5 -14.176 -16.209  10.904
   21    HG   SER   5           HG       SER   5 -15.043 -14.686   9.585
   22    H    SER   6           H        SER   6 -12.626 -13.666  13.959
   23    HA   SER   6           HA       SER   6 -12.734 -10.893  13.008
   24    HB2  SER   6           1HB      SER   6 -13.213 -11.020  15.336
   25    HB3  SER   6           2HB      SER   6 -11.864 -12.118  15.627
   26    HG   SER   6           HG       SER   6 -11.343  -9.999  16.262
   27    H    GLY   7           H        GLY   7 -11.336 -11.037  11.245
   28    HA2  GLY   7           1HA      GLY   7  -8.505 -11.435  11.983
   29    HA3  GLY   7           2HA      GLY   7  -9.158 -12.068  10.479
   30    H    GLU   8           H        GLU   8  -8.275  -9.165  12.233
   31    HA   GLU   8           HA       GLU   8  -8.408  -7.657   9.705
   32    HB2  GLU   8           1HB      GLU   8  -9.849  -6.864  11.628
   33    HB3  GLU   8           2HB      GLU   8  -8.362  -6.484  12.485
   34    HG2  GLU   8           1HG      GLU   8  -7.743  -4.879  10.809
   35    HG3  GLU   8           2HG      GLU   8  -9.126  -5.330   9.814
   36    H    SER   9           H        SER   9  -6.705  -6.153   9.261
   37    HA   SER   9           HA       SER   9  -4.121  -7.179  10.028
   38    HB2  SER   9           1HB      SER   9  -4.958  -4.943   8.172
   39    HB3  SER   9           2HB      SER   9  -3.278  -5.402   8.450
   40    HG   SER   9           HG       SER   9  -5.063  -7.427   7.764
   41    H    LEU  10           H        LEU  10  -3.059  -6.531  11.767
   42    HA   LEU  10           HA       LEU  10  -3.253  -3.719  12.590
   43    HB2  LEU  10           1HB      LEU  10  -3.392  -6.099  14.436
   44    HB3  LEU  10           2HB      LEU  10  -3.296  -4.415  14.946
   45    HG   LEU  10           HG       LEU  10  -5.582  -5.585  13.363
   46   HD11  LEU  10          1HD1      LEU  10  -5.171  -5.233  16.313
   47   HD12  LEU  10          2HD1      LEU  10  -5.722  -6.658  15.433
   48   HD13  LEU  10          3HD1      LEU  10  -6.782  -5.258  15.596
   49   HD21  LEU  10          1HD2      LEU  10  -5.567  -3.035  14.942
   50   HD22  LEU  10          2HD2      LEU  10  -6.677  -3.549  13.670
   51   HD23  LEU  10          3HD2      LEU  10  -5.025  -3.080  13.264
   52    H    CYS  11           H        CYS  11  -1.415  -2.871  13.599
   53    HA   CYS  11           HA       CYS  11   1.053  -3.851  12.710
   54    HB2  CYS  11           1HB      CYS  11   0.287  -1.476  13.610
   55    HB3  CYS  11           2HB      CYS  11   0.946  -2.094  15.121
   56    HA   PRO  12           HA       PRO  12   1.919  -7.024  15.659
   57    HB2  PRO  12           1HB      PRO  12   4.571  -7.286  15.140
   58    HB3  PRO  12           2HB      PRO  12   3.315  -7.903  14.060
   59    HG2  PRO  12           1HG      PRO  12   4.903  -5.372  13.868
   60    HG3  PRO  12           2HG      PRO  12   4.473  -6.523  12.589
   61    HD2  PRO  12           1HD      PRO  12   3.144  -4.194  12.960
   62    HD3  PRO  12           2HD      PRO  12   2.349  -5.661  12.353
   63    H    GLN  13           H        GLN  13   2.758  -3.850  15.948
   64    HA   GLN  13           HA       GLN  13   4.022  -4.326  18.559
   65    HB2  GLN  13           1HB      GLN  13   4.814  -2.255  16.508
   66    HB3  GLN  13           2HB      GLN  13   5.365  -2.239  18.178
   67    HG2  GLN  13           1HG      GLN  13   6.507  -4.327  17.883
   68    HG3  GLN  13           2HG      GLN  13   5.840  -4.507  16.261
   69   HE21  GLN  13          1HE2      GLN  13   8.629  -4.263  17.387
   70   HE22  GLN  13          2HE2      GLN  13   9.367  -3.030  16.428
   71    H    HIS  14           H        HIS  14   2.343  -1.951  16.518
   72    HA   HIS  14           HA       HIS  14   1.388  -0.540  18.878
   73    HB2  HIS  14           1HB      HIS  14   0.845   0.036  15.959
   74    HB3  HIS  14           2HB      HIS  14   0.503   1.102  17.318
   75    HD2  HIS  14           2HD      HIS  14   2.795   2.332  18.467
   76    HE1  HIS  14           1HE      HIS  14   5.366   1.301  15.254
   77    HE2  HIS  14           2HE      HIS  14   5.122   2.633  17.377
   78    H    HIS  15           H        HIS  15   0.347  -2.970  16.714
   79    HA   HIS  15           HA       HIS  15  -1.632  -4.053  16.384
   80    HB2  HIS  15           1HB      HIS  15  -1.126  -4.199  18.971
   81    HB3  HIS  15           2HB      HIS  15  -2.561  -3.185  19.090
   82    HD1  HIS  15           1HD      HIS  15  -4.312  -4.754  19.897
   83    HD2  HIS  15           2HD      HIS  15  -2.107  -6.350  16.758
   84    HE1  HIS  15           1HE      HIS  15  -5.438  -6.928  19.322
   85    H    GLU  16           H        GLU  16  -1.639  -1.514  15.307
   86    HA   GLU  16           HA       GLU  16  -4.390  -0.598  15.835
   87    HB2  GLU  16           1HB      GLU  16  -1.975   0.973  14.931
   88    HB3  GLU  16           2HB      GLU  16  -3.614   1.607  14.896
   89    HG2  GLU  16           1HG      GLU  16  -3.719   1.118  17.371
   90    HG3  GLU  16           2HG      GLU  16  -1.982   0.830  17.291
   91    H    ALA  17           H        ALA  17  -5.708  -0.096  14.075
   92    HA   ALA  17           HA       ALA  17  -5.715  -1.722  11.898
   93    HB1  ALA  17           1HB      ALA  17  -7.215  -0.128  10.812
   94    HB2  ALA  17           2HB      ALA  17  -7.604  -0.312  12.523
   95    HB3  ALA  17           3HB      ALA  17  -6.733   1.116  11.966
   96    H    LEU  18           H        LEU  18  -4.178  -2.063  10.437
   97    HA   LEU  18           HA       LEU  18  -2.249  -0.062   9.734
   98    HB2  LEU  18           1HB      LEU  18  -2.773  -2.761   8.496
   99    HB3  LEU  18           2HB      LEU  18  -1.350  -1.757   8.225
  100    HG   LEU  18           HG       LEU  18  -2.027  -2.715  10.981
  101   HD11  LEU  18          1HD1      LEU  18  -2.032  -4.770   9.880
  102   HD12  LEU  18          2HD1      LEU  18  -0.370  -4.593  10.443
  103   HD13  LEU  18          3HD1      LEU  18  -0.767  -4.278   8.754
  104   HD21  LEU  18          1HD2      LEU  18   0.108  -2.123  11.504
  105   HD22  LEU  18          2HD2      LEU  18  -0.185  -0.977  10.195
  106   HD23  LEU  18          3HD2      LEU  18   0.719  -2.460   9.884
  107    H    SER  19           H        SER  19  -2.115   1.168   7.925
  108    HA   SER  19           HA       SER  19  -4.190   0.829   5.870
  109    HB2  SER  19           1HB      SER  19  -3.449   3.355   7.340
  110    HB3  SER  19           2HB      SER  19  -4.232   3.395   5.761
  111    HG   SER  19           HG       SER  19  -5.328   1.826   7.816
  112    H    LEU  20           H        LEU  20  -0.998   1.949   6.760
  113    HA   LEU  20           HA       LEU  20  -0.330   2.390   3.937
  114    HB2  LEU  20           1HB      LEU  20   1.276   3.041   6.403
  115    HB3  LEU  20           2HB      LEU  20   1.674   3.493   4.747
  116    HG   LEU  20           HG       LEU  20  -0.839   4.451   6.087
  117   HD11  LEU  20          1HD1      LEU  20   0.697   6.601   6.278
  118   HD12  LEU  20          2HD1      LEU  20   1.956   5.378   6.450
  119   HD13  LEU  20          3HD1      LEU  20   0.595   5.406   7.571
  120   HD21  LEU  20          1HD2      LEU  20  -1.149   5.655   4.233
  121   HD22  LEU  20          2HD2      LEU  20   0.052   4.597   3.491
  122   HD23  LEU  20          3HD2      LEU  20   0.543   6.151   4.167
  123    H    PHE  21           H        PHE  21   1.760   1.573   3.162
  124    HA   PHE  21           HA       PHE  21   2.636  -0.878   4.525
  125    HB2  PHE  21           1HB      PHE  21   1.194  -1.693   2.811
  126    HB3  PHE  21           2HB      PHE  21   1.868  -0.583   1.622
  127    HD1  PHE  21           2HD      PHE  21   4.076  -0.995   0.651
  128    HD2  PHE  21           1HD      PHE  21   2.276  -3.753   3.347
  129    HE1  PHE  21           2HE      PHE  21   5.672  -2.726  -0.060
  130    HE2  PHE  21           1HE      PHE  21   3.870  -5.489   2.640
  131    HZ   PHE  21           HZ       PHE  21   5.570  -4.977   0.934
  132    H    CYS  22           H        CYS  22   4.739  -0.791   4.911
  133    HA   CYS  22           HA       CYS  22   6.414   1.165   3.644
  134    HB2  CYS  22           1HB      CYS  22   6.742   0.652   5.995
  135    HB3  CYS  22           2HB      CYS  22   7.050  -1.039   5.614
  136    H    TYR  23           H        TYR  23   7.368   0.902   1.747
  137    HA   TYR  23           HA       TYR  23   7.423  -1.525   0.328
  138    HB2  TYR  23           1HB      TYR  23   8.545   1.195  -0.052
  139    HB3  TYR  23           2HB      TYR  23   9.308  -0.103  -0.964
  140    HD1  TYR  23           1HD      TYR  23   7.401  -1.785  -2.008
  141    HD2  TYR  23           2HD      TYR  23   6.946   2.369  -1.211
  142    HE1  TYR  23           1HE      TYR  23   5.606  -1.666  -3.686
  143    HE2  TYR  23           2HE      TYR  23   5.150   2.500  -2.885
  144    HH   TYR  23           HH       TYR  23   3.570  -0.125  -4.096
  145    H    GLU  24           H        GLU  24  10.288   0.330   1.358
  146    HA   GLU  24           HA       GLU  24  12.270  -1.423   1.000
  147    HB2  GLU  24           1HB      GLU  24  11.804   0.314   3.421
  148    HB3  GLU  24           2HB      GLU  24  13.305  -0.562   3.154
  149    HG2  GLU  24           1HG      GLU  24  13.361   0.641   0.886
  150    HG3  GLU  24           2HG      GLU  24  12.157   1.716   1.593
  151    H    ASP  25           H        ASP  25  10.538  -1.351   4.119
  152    HA   ASP  25           HA       ASP  25  11.569  -3.823   5.006
  153    HB2  ASP  25           1HB      ASP  25   9.079  -2.338   5.873
  154    HB3  ASP  25           2HB      ASP  25   9.796  -3.695   6.737
  155    H    GLN  26           H        GLN  26   8.889  -2.992   2.975
  156    HA   GLN  26           HA       GLN  26   7.407  -4.245   1.790
  157    HB2  GLN  26           1HB      GLN  26   9.625  -6.141   2.335
  158    HB3  GLN  26           2HB      GLN  26   8.103  -6.836   1.795
  159    HG2  GLN  26           1HG      GLN  26   9.646  -4.692   0.351
  160    HG3  GLN  26           2HG      GLN  26   9.653  -6.409  -0.052
  161   HE21  GLN  26          1HE2      GLN  26   8.255  -3.465  -0.692
  162   HE22  GLN  26          2HE2      GLN  26   6.838  -4.009  -1.516
  163    H    GLU  27           H        GLU  27   6.886  -3.734   4.543
  164    HA   GLU  27           HA       GLU  27   5.051  -5.952   5.075
  165    HB2  GLU  27           1HB      GLU  27   5.690  -6.253   7.291
  166    HB3  GLU  27           2HB      GLU  27   7.232  -6.051   6.470
  167    HG2  GLU  27           1HG      GLU  27   6.958  -3.554   7.099
  168    HG3  GLU  27           2HG      GLU  27   5.792  -4.160   8.275
  169    H    ALA  28           H        ALA  28   3.063  -5.302   5.639
  170    HA   ALA  28           HA       ALA  28   2.217  -2.679   5.367
  171    HB1  ALA  28           1HB      ALA  28   1.030  -5.176   5.983
  172    HB2  ALA  28           2HB      ALA  28   0.435  -3.993   7.148
  173    HB3  ALA  28           3HB      ALA  28   0.250  -3.699   5.419
  174    H    VAL  29           H        VAL  29   2.200  -0.936   6.641
  175    HA   VAL  29           HA       VAL  29   2.783  -1.298   9.508
  176    HB   VAL  29           HB       VAL  29   4.008   0.850   9.457
  177   HG11  VAL  29          1HG1      VAL  29   6.030  -0.041   8.672
  178   HG12  VAL  29          2HG1      VAL  29   5.075  -1.450   9.138
  179   HG13  VAL  29          3HG1      VAL  29   5.226  -1.008   7.436
  180   HG21  VAL  29          1HG2      VAL  29   3.473   2.164   7.709
  181   HG22  VAL  29          2HG2      VAL  29   4.769   1.288   6.895
  182   HG23  VAL  29          3HG2      VAL  29   3.092   0.796   6.662
  183    H    CYS  30           H        CYS  30   2.003   0.423  10.904
  184    HA   CYS  30           HA       CYS  30  -0.616   1.342  10.053
  185    HB2  CYS  30           1HB      CYS  30  -1.039   1.807  12.360
  186    HB3  CYS  30           2HB      CYS  30  -0.201   0.260  12.291
  187    H    LEU  31           H        LEU  31  -1.163   3.613  11.191
  188    HA   LEU  31           HA       LEU  31   0.079   5.571   9.631
  189    HB2  LEU  31           1HB      LEU  31  -1.797   5.572  11.930
  190    HB3  LEU  31           2HB      LEU  31  -0.992   7.089  11.535
  191    HG   LEU  31           HG       LEU  31  -1.892   6.687   9.149
  192   HD11  LEU  31          1HD1      LEU  31  -3.528   5.159   8.780
  193   HD12  LEU  31          2HD1      LEU  31  -4.104   5.205  10.446
  194   HD13  LEU  31          3HD1      LEU  31  -2.646   4.299  10.043
  195   HD21  LEU  31          1HD2      LEU  31  -4.250   7.224  10.745
  196   HD22  LEU  31          2HD2      LEU  31  -3.343   8.292   9.673
  197   HD23  LEU  31          3HD2      LEU  31  -2.831   8.081  11.348
  198    H    ILE  32           H        ILE  32   0.222   5.334  13.190
  199    HA   ILE  32           HA       ILE  32   2.137   7.153  13.758
  200    HB   ILE  32           HB       ILE  32   1.972   4.396  14.980
  201   HG12  ILE  32          1HG1      ILE  32   0.808   6.026  16.774
  202   HG13  ILE  32          2HG1      ILE  32   0.407   6.899  15.299
  203   HG21  ILE  32          1HG2      ILE  32   2.844   6.549  16.711
  204   HG22  ILE  32          2HG2      ILE  32   3.567   4.967  16.425
  205   HG23  ILE  32          3HG2      ILE  32   3.934   6.312  15.346
  206   HD11  ILE  32          1HD1      ILE  32  -1.348   5.553  15.150
  207   HD12  ILE  32          2HD1      ILE  32  -0.213   4.281  14.697
  208   HD13  ILE  32          3HD1      ILE  32  -0.712   4.460  16.379
  209    H    CYS  33           H        CYS  33   2.790   3.790  12.791
  210    HA   CYS  33           HA       CYS  33   5.511   3.706  12.919
  211    HB2  CYS  33           1HB      CYS  33   3.507   2.448  11.116
  212    HB3  CYS  33           2HB      CYS  33   5.199   2.331  10.646
  213    H    ALA  34           H        ALA  34   3.740   4.618   9.957
  214    HA   ALA  34           HA       ALA  34   5.631   5.360   8.253
  215    HB1  ALA  34           1HB      ALA  34   3.663   5.957   7.347
  216    HB2  ALA  34           2HB      ALA  34   2.999   6.500   8.889
  217    HB3  ALA  34           3HB      ALA  34   4.073   7.555   7.971
  218    H    ILE  35           H        ILE  35   4.601   7.458  10.940
  219    HA   ILE  35           HA       ILE  35   6.115   9.671  10.579
  220    HB   ILE  35           HB       ILE  35   5.759   8.222  13.206
  221   HG12  ILE  35          1HG1      ILE  35   4.162  10.538  12.110
  222   HG13  ILE  35          2HG1      ILE  35   3.686   8.860  11.876
  223   HG21  ILE  35          1HG2      ILE  35   6.597  11.048  12.591
  224   HG22  ILE  35          2HG2      ILE  35   6.059  10.507  14.180
  225   HG23  ILE  35          3HG2      ILE  35   7.513   9.817  13.461
  226   HD11  ILE  35          1HD1      ILE  35   3.999   8.852  14.527
  227   HD12  ILE  35          2HD1      ILE  35   3.569  10.546  14.287
  228   HD13  ILE  35          3HD1      ILE  35   2.483   9.273  13.731
  229    H    SER  36           H        SER  36   7.275   6.780  12.321
  230    HA   SER  36           HA       SER  36   9.934   7.686  12.574
  231    HB2  SER  36           1HB      SER  36   8.527   5.084  12.928
  232    HB3  SER  36           2HB      SER  36  10.283   5.044  12.771
  233    HG   SER  36           HG       SER  36   9.276   6.957  14.498
  234    H    HIS  37           H        HIS  37   8.583   5.198  10.402
  235    HA   HIS  37           HA       HIS  37  10.771   4.587   8.904
  236    HB2  HIS  37           1HB      HIS  37   7.920   4.946   7.970
  237    HB3  HIS  37           2HB      HIS  37   9.181   4.202   6.992
  238    HD2  HIS  37           2HD      HIS  37   7.426   3.450  10.459
  239    HE1  HIS  37           1HE      HIS  37   8.747  -0.180   8.706
  240    HE2  HIS  37           2HE      HIS  37   7.437   0.867  10.585
  241    H    THR  38           H        THR  38   8.403   7.043   7.855
  242    HA   THR  38           HA       THR  38   9.673   8.132   5.736
  243    HB   THR  38           HB       THR  38   8.707  10.373   6.435
  244    HG1  THR  38           1HG      THR  38   7.359   8.996   8.481
  245   HG21  THR  38          1HG2      THR  38   7.514   8.186   5.359
  246   HG22  THR  38          2HG2      THR  38   6.718   9.745   5.570
  247   HG23  THR  38          3HG2      THR  38   6.487   8.469   6.764
  248    H    HIS  39           H        HIS  39  10.475   8.677   9.120
  249    HA   HIS  39           HA       HIS  39  12.330  10.771   8.703
  250    HB2  HIS  39           1HB      HIS  39  11.254  10.129  10.900
  251    HB3  HIS  39           2HB      HIS  39  12.374   8.771  10.967
  252    HD1  HIS  39           1HD      HIS  39  13.935   9.420  12.793
  253    HD2  HIS  39           2HD      HIS  39  13.300  12.518  10.098
  254    HE1  HIS  39           1HE      HIS  39  15.524  11.244  13.479
  255    H    ARG  40           H        ARG  40  12.638   7.261   8.786
  256    HA   ARG  40           HA       ARG  40  15.515   7.375   8.474
  257    HB2  ARG  40           1HB      ARG  40  13.528   5.114   8.611
  258    HB3  ARG  40           2HB      ARG  40  15.226   4.845   8.242
  259    HG2  ARG  40           1HG      ARG  40  14.408   6.340  10.702
  260    HG3  ARG  40           2HG      ARG  40  14.427   4.575  10.668
  261    HD2  ARG  40           1HD      ARG  40  16.711   4.468  10.464
  262    HD3  ARG  40           2HD      ARG  40  16.824   6.052   9.697
  263    HE   ARG  40           HE       ARG  40  16.950   7.027  11.778
  264   HH11  ARG  40          2HH1      ARG  40  16.047   3.680  12.095
  265   HH12  ARG  40          1HH1      ARG  40  16.261   3.650  13.814
  266   HH21  ARG  40          2HH2      ARG  40  17.235   7.000  14.041
  267   HH22  ARG  40          1HH2      ARG  40  16.935   5.539  14.920
  268    H    ALA  41           H        ALA  41  13.721   8.526   6.411
  269    HA   ALA  41           HA       ALA  41  13.543   8.653   4.144
  270    HB1  ALA  41           1HB      ALA  41  15.690   8.962   3.611
  271    HB2  ALA  41           2HB      ALA  41  16.238   7.693   4.706
  272    HB3  ALA  41           3HB      ALA  41  15.669   7.277   3.090
  273    H    HIS  42           H        HIS  42  12.050   6.601   5.318
  274    HA   HIS  42           HA       HIS  42  12.349   4.300   3.536
  275    HB2  HIS  42           1HB      HIS  42  11.002   4.784   6.142
  276    HB3  HIS  42           2HB      HIS  42  10.266   3.598   5.068
  277    HD2  HIS  42           2HD      HIS  42  14.069   3.514   4.818
  278    HE1  HIS  42           1HE      HIS  42  12.950   0.457   7.539
  279    HE2  HIS  42           2HE      HIS  42  14.839   1.489   6.231
  280    H    THR  43           H        THR  43  10.950   3.823   1.934
  281    HA   THR  43           HA       THR  43   9.025   5.858   1.189
  282    HB   THR  43           HB       THR  43   9.696   3.288  -0.256
  283    HG1  THR  43           1HG      THR  43  10.847   5.082  -1.576
  284   HG21  THR  43          1HG2      THR  43   8.626   5.801  -1.493
  285   HG22  THR  43          2HG2      THR  43   7.534   4.626  -0.761
  286   HG23  THR  43          3HG2      THR  43   8.572   4.149  -2.104
  287    H    VAL  44           H        VAL  44   7.019   5.798   1.945
  288    HA   VAL  44           HA       VAL  44   5.737   3.169   2.324
  289    HB   VAL  44           HB       VAL  44   5.269   5.672   3.952
  290   HG11  VAL  44          1HG1      VAL  44   3.248   4.287   3.599
  291   HG12  VAL  44          2HG1      VAL  44   4.101   2.914   4.307
  292   HG13  VAL  44          3HG1      VAL  44   3.762   4.343   5.284
  293   HG21  VAL  44          1HG2      VAL  44   7.041   4.984   5.116
  294   HG22  VAL  44          2HG2      VAL  44   6.054   3.619   5.637
  295   HG23  VAL  44          3HG2      VAL  44   7.117   3.455   4.239
  296    H    VAL  45           H        VAL  45   3.566   2.974   1.753
  297    HA   VAL  45           HA       VAL  45   2.218   5.262   0.553
  298    HB   VAL  45           HB       VAL  45   1.722   4.113  -1.532
  299   HG11  VAL  45          1HG1      VAL  45   4.661   4.279  -0.882
  300   HG12  VAL  45          2HG1      VAL  45   4.015   4.104  -2.515
  301   HG13  VAL  45          3HG1      VAL  45   3.642   5.544  -1.568
  302   HG21  VAL  45          1HG2      VAL  45   3.050   2.029  -2.077
  303   HG22  VAL  45          2HG2      VAL  45   3.397   1.909  -0.352
  304   HG23  VAL  45          3HG2      VAL  45   1.731   1.827  -0.924
  305    HA   PRO  46           HA       PRO  46  -1.358   3.385   2.281
  306    HB2  PRO  46           1HB      PRO  46  -3.278   4.346   0.619
  307    HB3  PRO  46           2HB      PRO  46  -2.454   5.350   1.818
  308    HG2  PRO  46           1HG      PRO  46  -1.937   5.099  -1.120
  309    HG3  PRO  46           2HG      PRO  46  -1.986   6.558  -0.114
  310    HD2  PRO  46           1HD      PRO  46   0.335   5.387  -0.869
  311    HD3  PRO  46           2HD      PRO  46   0.154   6.235   0.680
  312    H    LEU  47           H        LEU  47  -2.943   1.767   1.945
  313    HA   LEU  47           HA       LEU  47  -2.348   0.023  -0.325
  314    HB2  LEU  47           1HB      LEU  47  -3.579  -0.373   2.366
  315    HB3  LEU  47           2HB      LEU  47  -3.917  -1.528   1.078
  316    HG   LEU  47           HG       LEU  47  -1.439  -1.875   0.871
  317   HD11  LEU  47          1HD1      LEU  47  -0.609  -1.134   3.430
  318   HD12  LEU  47          2HD1      LEU  47  -1.440   0.278   2.779
  319   HD13  LEU  47          3HD1      LEU  47  -0.093  -0.439   1.894
  320   HD21  LEU  47          1HD2      LEU  47  -1.914  -2.631   3.639
  321   HD22  LEU  47          2HD2      LEU  47  -1.675  -3.642   2.213
  322   HD23  LEU  47          3HD2      LEU  47  -3.277  -3.002   2.584
  323    H    SER  48           H        SER  48  -5.296   0.917   1.481
  324    HA   SER  48           HA       SER  48  -6.909   0.435  -0.880
  325    HB2  SER  48           1HB      SER  48  -7.496  -0.106   1.618
  326    HB3  SER  48           2HB      SER  48  -8.004   1.582   1.665
  327    HG   SER  48           HG       SER  48  -9.223   0.947  -0.345
  328    H    GLY  49           H        GLY  49  -4.963   2.709  -0.703
  329    HA2  GLY  49           1HA      GLY  49  -4.888   4.835  -1.582
  330    HA3  GLY  49           2HA      GLY  49  -6.588   4.658  -1.994
  331    HA   PRO  50           HA       PRO  50  -5.749   7.379   1.894
  332    HB2  PRO  50           1HB      PRO  50  -5.367   9.819   0.767
  333    HB3  PRO  50           2HB      PRO  50  -4.037   8.721   1.153
  334    HG2  PRO  50           1HG      PRO  50  -5.386   9.213  -1.474
  335    HG3  PRO  50           2HG      PRO  50  -3.657   9.034  -1.120
  336    HD2  PRO  50           1HD      PRO  50  -5.150   7.021  -2.144
  337    HD3  PRO  50           2HD      PRO  50  -3.780   6.734  -1.052
  338    H    SER  51           H        SER  51  -7.523   8.235   2.814
  339    HA   SER  51           HA       SER  51  -9.817   8.798   1.085
  340    HB2  SER  51           1HB      SER  51  -9.755   8.459   4.092
  341    HB3  SER  51           2HB      SER  51 -11.188   8.513   3.065
  342    HG   SER  51           HG       SER  51  -9.770   6.630   2.033
  343    H    SER  52           H        SER  52  -8.451  10.149   4.094
  344    HA   SER  52           HA       SER  52  -9.636  12.731   3.485
  345    HB2  SER  52           1HB      SER  52  -8.594  13.359   5.721
  346    HB3  SER  52           2HB      SER  52  -9.820  12.092   5.772
  347    HG   SER  52           HG       SER  52  -7.752  11.737   6.950
  348    H    GLY  53           H        GLY  53  -6.408  11.322   3.903
  349    HA2  GLY  53           1HA      GLY  53  -5.186  13.836   3.033
  350    HA3  GLY  53           2HA      GLY  53  -4.338  12.448   3.698
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -8.630  -7.975  23.966
    2    HA2  GLY   1           1HA      GLY   1  -9.061  -8.315  21.459
    3    HA3  GLY   1           2HA      GLY   1  -9.232 -10.004  21.915
    4    H    SER   2           H        SER   2 -10.643  -6.809  22.140
    5    HA   SER   2           HA       SER   2 -13.029  -7.856  23.447
    6    HB2  SER   2           1HB      SER   2 -12.153  -5.697  24.211
    7    HB3  SER   2           2HB      SER   2 -12.328  -5.038  22.585
    8    HG   SER   2           HG       SER   2 -14.100  -4.890  24.412
    9    H    SER   3           H        SER   3 -15.140  -7.579  22.554
   10    HA   SER   3           HA       SER   3 -15.233  -8.169  19.745
   11    HB2  SER   3           1HB      SER   3 -17.496  -7.744  21.712
   12    HB3  SER   3           2HB      SER   3 -17.648  -8.436  20.097
   13    HG   SER   3           HG       SER   3 -17.235 -10.265  21.028
   14    H    GLY   4           H        GLY   4 -14.445  -6.241  18.794
   15    HA2  GLY   4           1HA      GLY   4 -16.424  -4.434  17.957
   16    HA3  GLY   4           2HA      GLY   4 -15.503  -3.677  19.247
   17    H    SER   5           H        SER   5 -12.961  -4.568  18.754
   18    HA   SER   5           HA       SER   5 -12.307  -3.027  16.383
   19    HB2  SER   5           1HB      SER   5 -10.557  -4.259  18.524
   20    HB3  SER   5           2HB      SER   5  -9.958  -3.275  17.189
   21    HG   SER   5           HG       SER   5 -11.816  -2.437  19.166
   22    H    SER   6           H        SER   6 -13.580  -5.382  15.717
   23    HA   SER   6           HA       SER   6 -11.614  -7.383  15.026
   24    HB2  SER   6           1HB      SER   6 -13.921  -8.024  15.647
   25    HB3  SER   6           2HB      SER   6 -14.528  -7.174  14.226
   26    HG   SER   6           HG       SER   6 -13.076  -9.564  14.393
   27    H    GLY   7           H        GLY   7 -10.185  -6.266  13.662
   28    HA2  GLY   7           1HA      GLY   7 -11.297  -5.279  11.125
   29    HA3  GLY   7           2HA      GLY   7  -9.698  -4.910  11.753
   30    H    GLU   8           H        GLU   8  -8.946  -5.492   9.608
   31    HA   GLU   8           HA       GLU   8  -8.964  -8.379   9.072
   32    HB2  GLU   8           1HB      GLU   8  -8.292  -6.023   7.305
   33    HB3  GLU   8           2HB      GLU   8  -8.075  -7.699   6.820
   34    HG2  GLU   8           1HG      GLU   8 -10.116  -7.063   5.890
   35    HG3  GLU   8           2HG      GLU   8 -10.546  -8.004   7.317
   36    H    SER   9           H        SER   9  -6.904  -5.694   9.868
   37    HA   SER   9           HA       SER   9  -4.751  -7.461  10.557
   38    HB2  SER   9           1HB      SER   9  -4.634  -5.822   8.065
   39    HB3  SER   9           2HB      SER   9  -3.170  -5.957   9.038
   40    HG   SER   9           HG       SER   9  -4.403  -7.822   7.458
   41    H    LEU  10           H        LEU  10  -3.186  -6.475  11.865
   42    HA   LEU  10           HA       LEU  10  -3.419  -3.626  12.408
   43    HB2  LEU  10           1HB      LEU  10  -3.620  -5.601  14.665
   44    HB3  LEU  10           2HB      LEU  10  -3.831  -3.852  14.730
   45    HG   LEU  10           HG       LEU  10  -5.719  -5.500  13.104
   46   HD11  LEU  10          1HD1      LEU  10  -6.905  -5.115  15.607
   47   HD12  LEU  10          2HD1      LEU  10  -5.312  -5.799  15.931
   48   HD13  LEU  10          3HD1      LEU  10  -6.433  -6.643  14.864
   49   HD21  LEU  10          1HD2      LEU  10  -6.892  -3.607  13.011
   50   HD22  LEU  10          2HD2      LEU  10  -5.456  -2.807  13.653
   51   HD23  LEU  10          3HD2      LEU  10  -6.737  -3.332  14.747
   52    H    CYS  11           H        CYS  11  -1.689  -2.838  13.833
   53    HA   CYS  11           HA       CYS  11   0.817  -3.989  13.116
   54    HB2  CYS  11           1HB      CYS  11   0.376  -1.531  13.459
   55    HB3  CYS  11           2HB      CYS  11   0.316  -1.849  15.190
   56    HA   PRO  12           HA       PRO  12   1.240  -6.849  16.459
   57    HB2  PRO  12           1HB      PRO  12   3.898  -7.328  16.183
   58    HB3  PRO  12           2HB      PRO  12   2.683  -7.991  15.084
   59    HG2  PRO  12           1HG      PRO  12   4.450  -5.600  14.733
   60    HG3  PRO  12           2HG      PRO  12   4.034  -6.866  13.562
   61    HD2  PRO  12           1HD      PRO  12   2.844  -4.433  13.562
   62    HD3  PRO  12           2HD      PRO  12   1.995  -5.911  13.065
   63    H    GLN  13           H        GLN  13   2.234  -3.717  16.472
   64    HA   GLN  13           HA       GLN  13   3.300  -3.962  19.201
   65    HB2  GLN  13           1HB      GLN  13   5.160  -3.490  17.664
   66    HB3  GLN  13           2HB      GLN  13   4.313  -2.067  17.074
   67    HG2  GLN  13           1HG      GLN  13   5.825  -1.185  18.575
   68    HG3  GLN  13           2HG      GLN  13   4.347  -1.298  19.529
   69   HE21  GLN  13          1HE2      GLN  13   7.469  -2.747  18.906
   70   HE22  GLN  13          2HE2      GLN  13   7.589  -3.597  20.405
   71    H    HIS  14           H        HIS  14   1.724  -1.903  16.798
   72    HA   HIS  14           HA       HIS  14   0.740  -0.149  18.926
   73    HB2  HIS  14           1HB      HIS  14   0.609   0.113  15.915
   74    HB3  HIS  14           2HB      HIS  14  -0.048   1.288  17.051
   75    HD2  HIS  14           2HD      HIS  14   1.895   2.811  18.444
   76    HE1  HIS  14           1HE      HIS  14   5.126   1.583  15.984
   77    HE2  HIS  14           2HE      HIS  14   4.383   3.142  17.817
   78    H    HIS  15           H        HIS  15  -0.248  -2.741  16.932
   79    HA   HIS  15           HA       HIS  15  -2.232  -3.806  16.600
   80    HB2  HIS  15           1HB      HIS  15  -2.658  -2.512  19.282
   81    HB3  HIS  15           2HB      HIS  15  -3.914  -3.497  18.537
   82    HD1  HIS  15           1HD      HIS  15  -3.855  -5.855  19.247
   83    HD2  HIS  15           2HD      HIS  15  -0.085  -4.113  19.396
   84    HE1  HIS  15           1HE      HIS  15  -2.325  -7.637  20.146
   85    H    GLU  16           H        GLU  16  -1.965  -1.425  15.192
   86    HA   GLU  16           HA       GLU  16  -4.714  -0.363  15.237
   87    HB2  GLU  16           1HB      GLU  16  -2.175   1.011  14.339
   88    HB3  GLU  16           2HB      GLU  16  -3.791   1.691  14.205
   89    HG2  GLU  16           1HG      GLU  16  -3.983   1.507  16.690
   90    HG3  GLU  16           2HG      GLU  16  -2.280   1.053  16.724
   91    H    ALA  17           H        ALA  17  -5.819  -0.163  13.307
   92    HA   ALA  17           HA       ALA  17  -5.481  -2.061  11.351
   93    HB1  ALA  17           1HB      ALA  17  -7.557  -0.864  11.607
   94    HB2  ALA  17           2HB      ALA  17  -6.792   0.642  11.098
   95    HB3  ALA  17           3HB      ALA  17  -6.981  -0.683   9.950
   96    H    LEU  18           H        LEU  18  -3.864  -2.383   9.982
   97    HA   LEU  18           HA       LEU  18  -1.959  -0.368   9.330
   98    HB2  LEU  18           1HB      LEU  18  -2.383  -3.044   8.012
   99    HB3  LEU  18           2HB      LEU  18  -0.933  -2.046   7.925
  100    HG   LEU  18           HG       LEU  18  -1.934  -3.165  10.528
  101   HD11  LEU  18          1HD1      LEU  18  -1.461  -4.894   8.644
  102   HD12  LEU  18          2HD1      LEU  18  -0.773  -5.135  10.249
  103   HD13  LEU  18          3HD1      LEU  18   0.228  -4.487   8.949
  104   HD21  LEU  18          1HD2      LEU  18  -0.152  -2.158  11.389
  105   HD22  LEU  18          2HD2      LEU  18   0.106  -1.381   9.827
  106   HD23  LEU  18          3HD2      LEU  18   0.910  -2.907  10.196
  107    H    SER  19           H        SER  19  -2.411   1.268   8.014
  108    HA   SER  19           HA       SER  19  -4.109   0.763   5.664
  109    HB2  SER  19           1HB      SER  19  -3.585   3.264   7.266
  110    HB3  SER  19           2HB      SER  19  -4.318   3.317   5.663
  111    HG   SER  19           HG       SER  19  -5.320   1.800   7.842
  112    H    LEU  20           H        LEU  20  -0.953   1.574   6.696
  113    HA   LEU  20           HA       LEU  20  -0.213   2.471   3.995
  114    HB2  LEU  20           1HB      LEU  20   1.159   2.785   6.655
  115    HB3  LEU  20           2HB      LEU  20   1.926   3.183   5.119
  116    HG   LEU  20           HG       LEU  20  -0.605   4.480   6.121
  117   HD11  LEU  20          1HD1      LEU  20   0.795   5.390   7.640
  118   HD12  LEU  20          2HD1      LEU  20   1.234   6.422   6.279
  119   HD13  LEU  20          3HD1      LEU  20   2.238   5.032   6.691
  120   HD21  LEU  20          1HD2      LEU  20  -0.306   6.033   4.367
  121   HD22  LEU  20          2HD2      LEU  20  -0.103   4.438   3.643
  122   HD23  LEU  20          3HD2      LEU  20   1.311   5.429   4.005
  123    H    PHE  21           H        PHE  21   2.155   1.819   3.456
  124    HA   PHE  21           HA       PHE  21   2.883  -0.827   4.396
  125    HB2  PHE  21           1HB      PHE  21   1.383  -1.517   2.692
  126    HB3  PHE  21           2HB      PHE  21   1.966  -0.287   1.576
  127    HD1  PHE  21           1HD      PHE  21   2.813  -3.474   3.224
  128    HD2  PHE  21           2HD      PHE  21   3.832  -0.680   0.179
  129    HE1  PHE  21           1HE      PHE  21   4.388  -5.101   2.263
  130    HE2  PHE  21           2HE      PHE  21   5.407  -2.303  -0.788
  131    HZ   PHE  21           HZ       PHE  21   5.687  -4.517   0.253
  132    H    CYS  22           H        CYS  22   5.009  -0.846   4.648
  133    HA   CYS  22           HA       CYS  22   6.641   1.193   3.396
  134    HB2  CYS  22           1HB      CYS  22   6.979   0.664   5.764
  135    HB3  CYS  22           2HB      CYS  22   7.368  -1.002   5.347
  136    H    TYR  23           H        TYR  23   7.340   0.870   1.391
  137    HA   TYR  23           HA       TYR  23   7.471  -1.600   0.081
  138    HB2  TYR  23           1HB      TYR  23   8.403   1.156  -0.475
  139    HB3  TYR  23           2HB      TYR  23   9.209  -0.128  -1.369
  140    HD1  TYR  23           1HD      TYR  23   7.875  -1.619  -2.852
  141    HD2  TYR  23           2HD      TYR  23   6.174   1.810  -0.993
  142    HE1  TYR  23           1HE      TYR  23   6.000  -1.693  -4.443
  143    HE2  TYR  23           2HE      TYR  23   4.295   1.744  -2.578
  144    HH   TYR  23           HH       TYR  23   4.308  -0.277  -5.361
  145    H    GLU  24           H        GLU  24  10.265   0.438   0.963
  146    HA   GLU  24           HA       GLU  24  12.343  -1.174   0.510
  147    HB2  GLU  24           1HB      GLU  24  12.587   1.018   1.557
  148    HB3  GLU  24           2HB      GLU  24  11.924   0.394   3.061
  149    HG2  GLU  24           1HG      GLU  24  13.828  -0.800   3.565
  150    HG3  GLU  24           2HG      GLU  24  14.359  -0.863   1.886
  151    H    ASP  25           H        ASP  25  10.810  -1.231   3.731
  152    HA   ASP  25           HA       ASP  25  12.004  -3.673   4.491
  153    HB2  ASP  25           1HB      ASP  25   9.539  -2.297   5.580
  154    HB3  ASP  25           2HB      ASP  25  10.371  -3.640   6.359
  155    H    GLN  26           H        GLN  26   9.224  -2.937   2.602
  156    HA   GLN  26           HA       GLN  26   7.710  -4.232   1.506
  157    HB2  GLN  26           1HB      GLN  26   9.923  -6.164   2.051
  158    HB3  GLN  26           2HB      GLN  26   8.401  -6.775   1.418
  159    HG2  GLN  26           1HG      GLN  26  10.108  -4.654   0.135
  160    HG3  GLN  26           2HG      GLN  26  10.021  -6.345  -0.353
  161   HE21  GLN  26          1HE2      GLN  26   8.220  -3.348  -0.105
  162   HE22  GLN  26          2HE2      GLN  26   7.043  -3.735  -1.309
  163    H    GLU  27           H        GLU  27   7.286  -3.679   4.262
  164    HA   GLU  27           HA       GLU  27   5.520  -5.923   4.910
  165    HB2  GLU  27           1HB      GLU  27   6.209  -6.072   7.163
  166    HB3  GLU  27           2HB      GLU  27   7.695  -6.055   6.223
  167    HG2  GLU  27           1HG      GLU  27   7.626  -3.493   6.668
  168    HG3  GLU  27           2HG      GLU  27   6.547  -3.944   7.987
  169    H    ALA  28           H        ALA  28   3.583  -5.342   5.779
  170    HA   ALA  28           HA       ALA  28   2.684  -2.696   5.441
  171    HB1  ALA  28           1HB      ALA  28   0.827  -3.927   5.356
  172    HB2  ALA  28           2HB      ALA  28   1.551  -5.236   6.291
  173    HB3  ALA  28           3HB      ALA  28   0.835  -3.853   7.118
  174    H    VAL  29           H        VAL  29   2.251  -1.058   6.880
  175    HA   VAL  29           HA       VAL  29   2.957  -1.450   9.694
  176    HB   VAL  29           HB       VAL  29   4.290   0.610   9.742
  177   HG11  VAL  29          1HG1      VAL  29   5.047  -1.822   8.320
  178   HG12  VAL  29          2HG1      VAL  29   6.062  -0.433   7.927
  179   HG13  VAL  29          3HG1      VAL  29   5.885  -0.952   9.604
  180   HG21  VAL  29          1HG2      VAL  29   4.458   0.616   6.764
  181   HG22  VAL  29          2HG2      VAL  29   3.102   1.422   7.553
  182   HG23  VAL  29          3HG2      VAL  29   4.755   1.923   7.911
  183    H    CYS  30           H        CYS  30   2.128   0.189  11.108
  184    HA   CYS  30           HA       CYS  30  -0.406   1.236  10.188
  185    HB2  CYS  30           1HB      CYS  30  -0.841   1.747  12.502
  186    HB3  CYS  30           2HB      CYS  30  -0.131   0.138  12.415
  187    H    LEU  31           H        LEU  31  -0.994   3.508  11.086
  188    HA   LEU  31           HA       LEU  31   0.402   5.423   9.652
  189    HB2  LEU  31           1HB      LEU  31  -1.828   5.870  10.313
  190    HB3  LEU  31           2HB      LEU  31  -1.436   5.665  12.019
  191    HG   LEU  31           HG       LEU  31   0.098   7.745  11.616
  192   HD11  LEU  31          1HD1      LEU  31  -1.989   8.236   9.509
  193   HD12  LEU  31          2HD1      LEU  31  -0.360   7.674   9.135
  194   HD13  LEU  31          3HD1      LEU  31  -0.595   9.236   9.920
  195   HD21  LEU  31          1HD2      LEU  31  -2.637   7.378  12.418
  196   HD22  LEU  31          2HD2      LEU  31  -2.423   8.961  11.670
  197   HD23  LEU  31          3HD2      LEU  31  -1.424   8.494  13.047
  198    H    ILE  32           H        ILE  32   0.382   5.100  13.208
  199    HA   ILE  32           HA       ILE  32   2.275   6.927  13.888
  200    HB   ILE  32           HB       ILE  32   2.023   4.165  15.086
  201   HG12  ILE  32          1HG1      ILE  32   0.744   6.750  15.990
  202   HG13  ILE  32          2HG1      ILE  32  -0.077   5.556  14.990
  203   HG21  ILE  32          1HG2      ILE  32   3.120   4.992  17.010
  204   HG22  ILE  32          2HG2      ILE  32   4.109   5.477  15.635
  205   HG23  ILE  32          3HG2      ILE  32   3.057   6.653  16.421
  206   HD11  ILE  32          1HD1      ILE  32   0.368   5.598  17.849
  207   HD12  ILE  32          2HD1      ILE  32  -0.774   4.654  16.891
  208   HD13  ILE  32          3HD1      ILE  32   0.878   4.080  17.112
  209    H    CYS  33           H        CYS  33   2.955   3.536  13.026
  210    HA   CYS  33           HA       CYS  33   5.677   3.489  13.256
  211    HB2  CYS  33           1HB      CYS  33   3.755   2.120  11.433
  212    HB3  CYS  33           2HB      CYS  33   5.474   1.971  11.081
  213    H    ALA  34           H        ALA  34   3.994   4.197  10.188
  214    HA   ALA  34           HA       ALA  34   5.945   4.876   8.517
  215    HB1  ALA  34           1HB      ALA  34   4.049   7.058   8.490
  216    HB2  ALA  34           2HB      ALA  34   4.309   5.775   7.308
  217    HB3  ALA  34           3HB      ALA  34   3.244   5.501   8.687
  218    H    ILE  35           H        ILE  35   4.793   7.037  11.093
  219    HA   ILE  35           HA       ILE  35   6.164   9.318  10.682
  220    HB   ILE  35           HB       ILE  35   5.974   7.884  13.334
  221   HG12  ILE  35          1HG1      ILE  35   4.207  10.088  12.273
  222   HG13  ILE  35          2HG1      ILE  35   3.832   8.383  12.043
  223   HG21  ILE  35          1HG2      ILE  35   7.326   9.512  14.052
  224   HG22  ILE  35          2HG2      ILE  35   7.142  10.440  12.565
  225   HG23  ILE  35          3HG2      ILE  35   5.938  10.580  13.845
  226   HD11  ILE  35          1HD1      ILE  35   2.595   9.063  13.911
  227   HD12  ILE  35          2HD1      ILE  35   3.969   8.170  14.564
  228   HD13  ILE  35          3HD1      ILE  35   3.962   9.933  14.605
  229    H    SER  36           H        SER  36   7.554   6.503  12.377
  230    HA   SER  36           HA       SER  36  10.160   7.593  12.551
  231    HB2  SER  36           1HB      SER  36   9.483   5.830  14.065
  232    HB3  SER  36           2HB      SER  36   9.195   4.729  12.718
  233    HG   SER  36           HG       SER  36  11.695   5.826  13.497
  234    H    HIS  37           H        HIS  37   8.913   4.963  10.485
  235    HA   HIS  37           HA       HIS  37  11.107   4.506   8.921
  236    HB2  HIS  37           1HB      HIS  37   8.191   4.512   8.131
  237    HB3  HIS  37           2HB      HIS  37   9.474   3.891   7.097
  238    HD2  HIS  37           2HD      HIS  37   7.939   3.025  10.634
  239    HE1  HIS  37           1HE      HIS  37   9.712  -0.449   8.963
  240    HE2  HIS  37           2HE      HIS  37   8.302   0.472  10.836
  241    H    THR  38           H        THR  38   8.439   6.627   7.865
  242    HA   THR  38           HA       THR  38   9.473   7.761   5.659
  243    HB   THR  38           HB       THR  38   8.269   9.638   7.659
  244    HG1  THR  38           1HG      THR  38   6.747   7.718   6.214
  245   HG21  THR  38          1HG2      THR  38   8.826  10.406   5.377
  246   HG22  THR  38          2HG2      THR  38   7.094  10.478   5.707
  247   HG23  THR  38          3HG2      THR  38   7.751   9.172   4.721
  248    H    HIS  39           H        HIS  39  10.347   8.617   8.974
  249    HA   HIS  39           HA       HIS  39  11.970  10.832   8.376
  250    HB2  HIS  39           1HB      HIS  39  11.087   9.897  10.666
  251    HB3  HIS  39           2HB      HIS  39  12.612   9.016  10.670
  252    HD1  HIS  39           1HD      HIS  39  12.009  12.603   9.580
  253    HD2  HIS  39           2HD      HIS  39  14.076  10.440  12.464
  254    HE1  HIS  39           1HE      HIS  39  13.400  14.292  10.819
  255    H    ARG  40           H        ARG  40  12.690   7.380   8.589
  256    HA   ARG  40           HA       ARG  40  15.500   7.798   8.045
  257    HB2  ARG  40           1HB      ARG  40  13.819   5.307   8.339
  258    HB3  ARG  40           2HB      ARG  40  15.539   5.273   7.975
  259    HG2  ARG  40           1HG      ARG  40  14.618   6.806  10.351
  260    HG3  ARG  40           2HG      ARG  40  14.662   5.044  10.435
  261    HD2  ARG  40           1HD      ARG  40  17.020   5.077   9.776
  262    HD3  ARG  40           2HD      ARG  40  16.972   6.837   9.698
  263    HE   ARG  40           HE       ARG  40  16.138   6.013  12.248
  264   HH11  ARG  40          2HH1      ARG  40  19.001   6.118  10.270
  265   HH12  ARG  40          1HH1      ARG  40  20.085   6.233  11.617
  266   HH21  ARG  40          2HH2      ARG  40  17.555   6.165  14.029
  267   HH22  ARG  40          1HH2      ARG  40  19.262   6.259  13.754
  268    H    ALA  41           H        ALA  41  13.505   8.690   6.074
  269    HA   ALA  41           HA       ALA  41  13.198   8.729   3.819
  270    HB1  ALA  41           1HB      ALA  41  15.743   8.855   4.034
  271    HB2  ALA  41           2HB      ALA  41  15.741   7.162   3.539
  272    HB3  ALA  41           3HB      ALA  41  15.076   8.394   2.467
  273    H    HIS  42           H        HIS  42  11.986   6.585   5.262
  274    HA   HIS  42           HA       HIS  42  12.222   4.270   3.498
  275    HB2  HIS  42           1HB      HIS  42  11.125   4.756   6.214
  276    HB3  HIS  42           2HB      HIS  42  10.334   3.512   5.251
  277    HD2  HIS  42           2HD      HIS  42  14.070   4.251   6.361
  278    HE1  HIS  42           1HE      HIS  42  13.421   0.062   6.174
  279    HE2  HIS  42           2HE      HIS  42  15.033   1.891   6.805
  280    H    THR  43           H        THR  43  10.862   3.908   1.877
  281    HA   THR  43           HA       THR  43   8.832   5.733   1.171
  282    HB   THR  43           HB       THR  43   9.145   2.906   0.148
  283    HG1  THR  43           1HG      THR  43  10.925   4.781   0.034
  284   HG21  THR  43          1HG2      THR  43   8.336   4.481  -1.936
  285   HG22  THR  43          2HG2      THR  43   7.462   5.192  -0.579
  286   HG23  THR  43          3HG2      THR  43   7.270   3.479  -0.952
  287    H    VAL  44           H        VAL  44   6.665   5.736   1.470
  288    HA   VAL  44           HA       VAL  44   5.324   3.400   2.563
  289    HB   VAL  44           HB       VAL  44   5.399   6.028   4.052
  290   HG11  VAL  44          1HG1      VAL  44   3.384   5.535   4.841
  291   HG12  VAL  44          2HG1      VAL  44   3.351   4.033   3.915
  292   HG13  VAL  44          3HG1      VAL  44   4.048   4.056   5.536
  293   HG21  VAL  44          1HG2      VAL  44   6.541   3.310   4.558
  294   HG22  VAL  44          2HG2      VAL  44   7.307   4.891   4.711
  295   HG23  VAL  44          3HG2      VAL  44   6.125   4.365   5.909
  296    H    VAL  45           H        VAL  45   3.368   3.202   1.687
  297    HA   VAL  45           HA       VAL  45   1.909   5.600   0.846
  298    HB   VAL  45           HB       VAL  45   1.401   4.750  -1.326
  299   HG11  VAL  45          1HG1      VAL  45   4.356   4.329  -0.903
  300   HG12  VAL  45          2HG1      VAL  45   3.547   4.817  -2.394
  301   HG13  VAL  45          3HG1      VAL  45   3.583   5.910  -1.010
  302   HG21  VAL  45          1HG2      VAL  45   2.558   2.591  -2.081
  303   HG22  VAL  45          2HG2      VAL  45   2.758   2.251  -0.362
  304   HG23  VAL  45          3HG2      VAL  45   1.142   2.442  -1.042
  305    HA   PRO  46           HA       PRO  46  -1.571   3.533   2.557
  306    HB2  PRO  46           1HB      PRO  46  -3.569   4.666   1.110
  307    HB3  PRO  46           2HB      PRO  46  -2.683   5.535   2.368
  308    HG2  PRO  46           1HG      PRO  46  -2.315   5.609  -0.602
  309    HG3  PRO  46           2HG      PRO  46  -2.309   6.949   0.560
  310    HD2  PRO  46           1HD      PRO  46  -0.032   5.873  -0.435
  311    HD3  PRO  46           2HD      PRO  46  -0.133   6.546   1.205
  312    H    LEU  47           H        LEU  47  -2.497   1.601   2.251
  313    HA   LEU  47           HA       LEU  47  -2.215   0.229  -0.233
  314    HB2  LEU  47           1HB      LEU  47  -3.426  -0.419   2.421
  315    HB3  LEU  47           2HB      LEU  47  -3.727  -1.470   1.039
  316    HG   LEU  47           HG       LEU  47  -1.169  -1.596   0.832
  317   HD11  LEU  47          1HD1      LEU  47  -0.067  -0.232   2.210
  318   HD12  LEU  47          2HD1      LEU  47  -0.459  -1.396   3.475
  319   HD13  LEU  47          3HD1      LEU  47  -1.480   0.022   3.234
  320   HD21  LEU  47          1HD2      LEU  47  -2.692  -3.406   1.620
  321   HD22  LEU  47          2HD2      LEU  47  -2.437  -2.836   3.269
  322   HD23  LEU  47          3HD2      LEU  47  -1.079  -3.459   2.331
  323    H    SER  48           H        SER  48  -5.166   0.853   1.675
  324    HA   SER  48           HA       SER  48  -6.774   0.617  -0.733
  325    HB2  SER  48           1HB      SER  48  -7.401   0.841   2.201
  326    HB3  SER  48           2HB      SER  48  -8.663   1.063   0.989
  327    HG   SER  48           HG       SER  48  -8.765  -1.024   0.925
  328    H    GLY  49           H        GLY  49  -4.973   2.863  -0.556
  329    HA2  GLY  49           1HA      GLY  49  -6.351   5.228   0.190
  330    HA3  GLY  49           2HA      GLY  49  -4.938   5.142  -0.850
  331    HA   PRO  50           HA       PRO  50  -9.039   6.011  -3.185
  332    HB2  PRO  50           1HB      PRO  50  -8.977   8.724  -3.264
  333    HB3  PRO  50           2HB      PRO  50  -9.806   7.818  -1.992
  334    HG2  PRO  50           1HG      PRO  50  -7.103   9.103  -1.948
  335    HG3  PRO  50           2HG      PRO  50  -8.362   9.103  -0.699
  336    HD2  PRO  50           1HD      PRO  50  -6.210   7.462  -0.599
  337    HD3  PRO  50           2HD      PRO  50  -7.797   6.997   0.048
  338    H    SER  51           H        SER  51  -8.819   5.958  -5.335
  339    HA   SER  51           HA       SER  51  -6.406   6.096  -6.661
  340    HB2  SER  51           1HB      SER  51  -8.628   5.141  -7.492
  341    HB3  SER  51           2HB      SER  51  -9.027   6.785  -7.990
  342    HG   SER  51           HG       SER  51  -8.078   5.697  -9.711
  343    H    SER  52           H        SER  52  -5.095   7.816  -6.539
  344    HA   SER  52           HA       SER  52  -5.750  10.197  -7.952
  345    HB2  SER  52           1HB      SER  52  -6.924  10.933  -6.038
  346    HB3  SER  52           2HB      SER  52  -5.709  10.280  -4.939
  347    HG   SER  52           HG       SER  52  -4.326  11.910  -5.508
  348    H    GLY  53           H        GLY  53  -3.937  11.301  -8.563
  349    HA2  GLY  53           1HA      GLY  53  -1.386  10.203  -7.566
  350    HA3  GLY  53           2HA      GLY  53  -1.633  10.847  -9.183
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -5.095 -16.529  21.611
    2    HA2  GLY   1           1HA      GLY   1  -6.666 -18.652  22.287
    3    HA3  GLY   1           2HA      GLY   1  -6.537 -17.743  23.785
    4    H    SER   2           H        SER   2  -6.593 -15.150  22.900
    5    HA   SER   2           HA       SER   2  -9.346 -14.966  21.903
    6    HB2  SER   2           1HB      SER   2  -8.952 -13.907  24.066
    7    HB3  SER   2           2HB      SER   2  -7.647 -12.940  23.379
    8    HG   SER   2           HG       SER   2 -10.403 -12.818  22.717
    9    H    SER   3           H        SER   3  -9.775 -14.174  19.951
   10    HA   SER   3           HA       SER   3  -7.779 -12.477  18.625
   11    HB2  SER   3           1HB      SER   3  -7.359 -14.637  17.683
   12    HB3  SER   3           2HB      SER   3  -9.082 -14.950  17.474
   13    HG   SER   3           HG       SER   3  -7.843 -12.761  16.202
   14    H    GLY   4           H        GLY   4  -8.602 -10.835  17.417
   15    HA2  GLY   4           1HA      GLY   4 -11.506 -10.803  16.935
   16    HA3  GLY   4           2HA      GLY   4 -10.750  -9.452  17.765
   17    H    SER   5           H        SER   5 -10.033 -11.390  14.856
   18    HA   SER   5           HA       SER   5 -10.332  -9.109  13.139
   19    HB2  SER   5           1HB      SER   5  -7.990  -8.953  14.269
   20    HB3  SER   5           2HB      SER   5  -7.560 -10.270  13.177
   21    HG   SER   5           HG       SER   5  -7.325  -7.894  12.516
   22    H    SER   6           H        SER   6 -11.339  -9.974  11.461
   23    HA   SER   6           HA       SER   6 -10.549 -12.667  10.571
   24    HB2  SER   6           1HB      SER   6 -12.805 -12.816   9.563
   25    HB3  SER   6           2HB      SER   6 -12.877 -12.546  11.304
   26    HG   SER   6           HG       SER   6 -12.854 -10.271   9.726
   27    H    GLY   7           H        GLY   7  -8.991 -10.515   9.770
   28    HA2  GLY   7           1HA      GLY   7  -8.406 -10.787   7.218
   29    HA3  GLY   7           2HA      GLY   7  -9.868  -9.824   7.065
   30    H    GLU   8           H        GLU   8  -9.734  -7.933   8.899
   31    HA   GLU   8           HA       GLU   8  -8.034  -6.019   7.897
   32    HB2  GLU   8           1HB      GLU   8  -9.926  -5.448   9.306
   33    HB3  GLU   8           2HB      GLU   8  -9.174  -6.233  10.688
   34    HG2  GLU   8           1HG      GLU   8  -7.536  -4.567  10.885
   35    HG3  GLU   8           2HG      GLU   8  -7.880  -3.924   9.280
   36    H    SER   9           H        SER   9  -5.986  -5.339   8.274
   37    HA   SER   9           HA       SER   9  -4.306  -7.106   9.894
   38    HB2  SER   9           1HB      SER   9  -2.420  -6.140   8.659
   39    HB3  SER   9           2HB      SER   9  -3.647  -6.744   7.545
   40    HG   SER   9           HG       SER   9  -4.363  -4.322   7.893
   41    H    LEU  10           H        LEU  10  -3.435  -6.478  11.761
   42    HA   LEU  10           HA       LEU  10  -3.398  -3.602  12.393
   43    HB2  LEU  10           1HB      LEU  10  -4.147  -5.898  14.193
   44    HB3  LEU  10           2HB      LEU  10  -3.843  -4.258  14.762
   45    HG   LEU  10           HG       LEU  10  -5.961  -4.809  12.712
   46   HD11  LEU  10          1HD1      LEU  10  -7.152  -4.537  15.253
   47   HD12  LEU  10          2HD1      LEU  10  -5.937  -5.807  15.383
   48   HD13  LEU  10          3HD1      LEU  10  -7.206  -5.923  14.164
   49   HD21  LEU  10          1HD2      LEU  10  -5.397  -2.634  14.711
   50   HD22  LEU  10          2HD2      LEU  10  -6.947  -2.793  13.884
   51   HD23  LEU  10          3HD2      LEU  10  -5.475  -2.511  12.953
   52    H    CYS  11           H        CYS  11  -1.595  -2.818  13.380
   53    HA   CYS  11           HA       CYS  11   0.841  -4.090  13.072
   54    HB2  CYS  11           1HB      CYS  11   0.180  -1.591  13.674
   55    HB3  CYS  11           2HB      CYS  11   0.535  -2.138  15.310
   56    HA   PRO  12           HA       PRO  12   0.923  -7.072  16.330
   57    HB2  PRO  12           1HB      PRO  12   3.585  -7.602  16.269
   58    HB3  PRO  12           2HB      PRO  12   2.459  -8.196  15.043
   59    HG2  PRO  12           1HG      PRO  12   4.296  -5.835  14.941
   60    HG3  PRO  12           2HG      PRO  12   3.961  -7.046  13.690
   61    HD2  PRO  12           1HD      PRO  12   2.824  -4.588  13.682
   62    HD3  PRO  12           2HD      PRO  12   1.994  -6.026  13.054
   63    H    GLN  13           H        GLN  13   2.101  -3.973  16.506
   64    HA   GLN  13           HA       GLN  13   2.880  -4.342  19.321
   65    HB2  GLN  13           1HB      GLN  13   4.832  -3.835  17.826
   66    HB3  GLN  13           2HB      GLN  13   4.074  -2.293  17.450
   67    HG2  GLN  13           1HG      GLN  13   5.618  -1.779  19.105
   68    HG3  GLN  13           2HG      GLN  13   4.084  -1.876  19.967
   69   HE21  GLN  13          1HE2      GLN  13   6.899  -2.239  20.843
   70   HE22  GLN  13          2HE2      GLN  13   6.934  -3.784  21.614
   71    H    HIS  14           H        HIS  14   1.725  -2.002  16.906
   72    HA   HIS  14           HA       HIS  14   0.588  -0.328  18.990
   73    HB2  HIS  14           1HB      HIS  14   0.520  -0.030  15.980
   74    HB3  HIS  14           2HB      HIS  14  -0.036   1.172  17.140
   75    HD2  HIS  14           2HD      HIS  14   1.974   2.669  18.366
   76    HE1  HIS  14           1HE      HIS  14   5.176   0.987  16.148
   77    HE2  HIS  14           2HE      HIS  14   4.500   2.751  17.814
   78    H    HIS  15           H        HIS  15  -0.362  -2.970  17.119
   79    HA   HIS  15           HA       HIS  15  -2.377  -3.909  16.574
   80    HB2  HIS  15           1HB      HIS  15  -3.483  -2.740  19.101
   81    HB3  HIS  15           2HB      HIS  15  -3.705  -4.353  18.430
   82    HD1  HIS  15           1HD      HIS  15  -2.051  -2.726  21.102
   83    HD2  HIS  15           2HD      HIS  15  -1.028  -5.805  18.508
   84    HE1  HIS  15           1HE      HIS  15  -0.177  -3.963  22.233
   85    H    GLU  16           H        GLU  16  -2.072  -1.438  15.341
   86    HA   GLU  16           HA       GLU  16  -4.812  -0.354  15.447
   87    HB2  GLU  16           1HB      GLU  16  -2.174   1.007  14.981
   88    HB3  GLU  16           2HB      GLU  16  -3.668   1.713  14.380
   89    HG2  GLU  16           1HG      GLU  16  -3.350   0.934  17.254
   90    HG3  GLU  16           2HG      GLU  16  -2.793   2.492  16.648
   91    H    ALA  17           H        ALA  17  -5.580   0.564  13.367
   92    HA   ALA  17           HA       ALA  17  -5.493  -1.331  11.318
   93    HB1  ALA  17           1HB      ALA  17  -6.703   0.299   9.971
   94    HB2  ALA  17           2HB      ALA  17  -7.340   0.244  11.616
   95    HB3  ALA  17           3HB      ALA  17  -6.289   1.571  11.121
   96    H    LEU  18           H        LEU  18  -3.960  -1.786   9.893
   97    HA   LEU  18           HA       LEU  18  -1.762   0.062   9.475
   98    HB2  LEU  18           1HB      LEU  18  -2.231  -2.703   8.367
   99    HB3  LEU  18           2HB      LEU  18  -0.741  -1.772   8.220
  100    HG   LEU  18           HG       LEU  18  -1.878  -2.631  10.873
  101   HD11  LEU  18          1HD1      LEU  18  -1.469  -4.642   9.624
  102   HD12  LEU  18          2HD1      LEU  18  -0.178  -4.431  10.806
  103   HD13  LEU  18          3HD1      LEU  18   0.111  -4.050   9.109
  104   HD21  LEU  18          1HD2      LEU  18   0.947  -1.912  10.128
  105   HD22  LEU  18          2HD2      LEU  18   0.255  -2.089  11.741
  106   HD23  LEU  18          3HD2      LEU  18  -0.221  -0.731  10.721
  107    H    SER  19           H        SER  19  -2.959   1.695   8.342
  108    HA   SER  19           HA       SER  19  -3.975   0.998   5.699
  109    HB2  SER  19           1HB      SER  19  -4.064   3.512   7.361
  110    HB3  SER  19           2HB      SER  19  -4.547   3.501   5.665
  111    HG   SER  19           HG       SER  19  -5.634   1.540   7.318
  112    H    LEU  20           H        LEU  20  -1.080   0.937   6.419
  113    HA   LEU  20           HA       LEU  20  -0.150   2.506   4.140
  114    HB2  LEU  20           1HB      LEU  20   0.937   2.711   6.934
  115    HB3  LEU  20           2HB      LEU  20   1.880   3.169   5.518
  116    HG   LEU  20           HG       LEU  20  -0.748   4.420   6.314
  117   HD11  LEU  20          1HD1      LEU  20   0.913   6.399   6.696
  118   HD12  LEU  20          2HD1      LEU  20   2.086   5.105   6.936
  119   HD13  LEU  20          3HD1      LEU  20   0.653   5.196   7.959
  120   HD21  LEU  20          1HD2      LEU  20   0.448   6.184   4.683
  121   HD22  LEU  20          2HD2      LEU  20  -0.679   4.950   4.118
  122   HD23  LEU  20          3HD2      LEU  20   1.060   4.680   3.995
  123    H    PHE  21           H        PHE  21   2.070   1.881   3.476
  124    HA   PHE  21           HA       PHE  21   2.971  -0.720   4.429
  125    HB2  PHE  21           1HB      PHE  21   1.527  -1.485   2.724
  126    HB3  PHE  21           2HB      PHE  21   1.989  -0.182   1.633
  127    HD1  PHE  21           1HD      PHE  21   3.234  -3.267   3.261
  128    HD2  PHE  21           2HD      PHE  21   3.729  -0.462   0.099
  129    HE1  PHE  21           1HE      PHE  21   4.909  -4.740   2.221
  130    HE2  PHE  21           2HE      PHE  21   5.403  -1.930  -0.947
  131    HZ   PHE  21           HZ       PHE  21   5.995  -4.073   0.114
  132    H    CYS  22           H        CYS  22   5.119  -0.787   4.536
  133    HA   CYS  22           HA       CYS  22   6.641   1.378   3.301
  134    HB2  CYS  22           1HB      CYS  22   6.818   0.635   5.782
  135    HB3  CYS  22           2HB      CYS  22   7.787  -0.694   5.153
  136    H    TYR  23           H        TYR  23   7.434   1.023   1.341
  137    HA   TYR  23           HA       TYR  23   7.678  -1.491   0.123
  138    HB2  TYR  23           1HB      TYR  23   8.533   1.278  -0.522
  139    HB3  TYR  23           2HB      TYR  23   9.357  -0.022  -1.375
  140    HD1  TYR  23           1HD      TYR  23   8.031  -1.601  -2.783
  141    HD2  TYR  23           2HD      TYR  23   6.304   1.889  -1.069
  142    HE1  TYR  23           1HE      TYR  23   6.152  -1.763  -4.362
  143    HE2  TYR  23           2HE      TYR  23   4.419   1.736  -2.643
  144    HH   TYR  23           HH       TYR  23   3.301  -0.225  -3.991
  145    H    GLU  24           H        GLU  24  10.046   0.543   1.781
  146    HA   GLU  24           HA       GLU  24  12.365  -0.861   1.176
  147    HB2  GLU  24           1HB      GLU  24  11.506   0.915   3.401
  148    HB3  GLU  24           2HB      GLU  24  12.959  -0.043   3.650
  149    HG2  GLU  24           1HG      GLU  24  13.149   2.344   2.679
  150    HG3  GLU  24           2HG      GLU  24  14.130   1.046   2.000
  151    H    ASP  25           H        ASP  25  10.375  -1.207   4.119
  152    HA   ASP  25           HA       ASP  25  11.703  -3.661   4.833
  153    HB2  ASP  25           1HB      ASP  25   9.328  -2.222   6.028
  154    HB3  ASP  25           2HB      ASP  25  10.026  -3.693   6.700
  155    H    GLN  26           H        GLN  26   9.720  -3.139   2.417
  156    HA   GLN  26           HA       GLN  26   7.956  -4.232   1.402
  157    HB2  GLN  26           1HB      GLN  26  10.059  -5.523   0.918
  158    HB3  GLN  26           2HB      GLN  26   9.617  -6.618   2.222
  159    HG2  GLN  26           1HG      GLN  26   9.043  -7.286  -0.181
  160    HG3  GLN  26           2HG      GLN  26   7.806  -7.477   1.061
  161   HE21  GLN  26          1HE2      GLN  26   8.909  -4.623  -0.718
  162   HE22  GLN  26          2HE2      GLN  26   7.369  -4.233  -1.396
  163    H    GLU  27           H        GLU  27   7.358  -3.692   4.136
  164    HA   GLU  27           HA       GLU  27   5.512  -5.915   4.648
  165    HB2  GLU  27           1HB      GLU  27   5.927  -5.766   7.055
  166    HB3  GLU  27           2HB      GLU  27   7.394  -6.192   6.186
  167    HG2  GLU  27           1HG      GLU  27   7.982  -3.726   6.271
  168    HG3  GLU  27           2HG      GLU  27   6.673  -3.565   7.440
  169    H    ALA  28           H        ALA  28   3.962  -5.145   6.543
  170    HA   ALA  28           HA       ALA  28   2.880  -2.573   5.645
  171    HB1  ALA  28           1HB      ALA  28   1.344  -4.421   5.487
  172    HB2  ALA  28           2HB      ALA  28   1.597  -4.824   7.186
  173    HB3  ALA  28           3HB      ALA  28   0.794  -3.317   6.747
  174    H    VAL  29           H        VAL  29   2.314  -0.937   7.081
  175    HA   VAL  29           HA       VAL  29   3.041  -1.254   9.894
  176    HB   VAL  29           HB       VAL  29   4.354   0.797   9.933
  177   HG11  VAL  29          1HG1      VAL  29   6.311  -0.166   9.259
  178   HG12  VAL  29          2HG1      VAL  29   5.262  -1.585   9.224
  179   HG13  VAL  29          3HG1      VAL  29   5.638  -0.727   7.729
  180   HG21  VAL  29          1HG2      VAL  29   4.618   0.940   6.996
  181   HG22  VAL  29          2HG2      VAL  29   3.090   1.507   7.669
  182   HG23  VAL  29          3HG2      VAL  29   4.609   2.229   8.200
  183    H    CYS  30           H        CYS  30   2.136   0.349  11.281
  184    HA   CYS  30           HA       CYS  30  -0.396   1.352  10.311
  185    HB2  CYS  30           1HB      CYS  30  -0.846   1.909  12.637
  186    HB3  CYS  30           2HB      CYS  30  -0.215   0.269  12.526
  187    H    LEU  31           H        LEU  31  -0.923   3.624  11.552
  188    HA   LEU  31           HA       LEU  31   0.339   5.591  10.017
  189    HB2  LEU  31           1HB      LEU  31  -1.905   5.814  10.991
  190    HB3  LEU  31           2HB      LEU  31  -1.186   5.926  12.596
  191    HG   LEU  31           HG       LEU  31  -0.382   7.915  10.527
  192   HD11  LEU  31          1HD1      LEU  31  -2.581   8.334  10.170
  193   HD12  LEU  31          2HD1      LEU  31  -2.383   9.254  11.661
  194   HD13  LEU  31          3HD1      LEU  31  -3.082   7.635  11.710
  195   HD21  LEU  31          1HD2      LEU  31  -0.937   9.001  13.082
  196   HD22  LEU  31          2HD2      LEU  31   0.628   8.789  12.297
  197   HD23  LEU  31          3HD2      LEU  31  -0.026   7.509  13.320
  198    H    ILE  32           H        ILE  32   0.700   4.852  13.482
  199    HA   ILE  32           HA       ILE  32   2.614   6.769  14.100
  200    HB   ILE  32           HB       ILE  32   2.400   3.995  15.277
  201   HG12  ILE  32          1HG1      ILE  32   1.187   6.521  16.383
  202   HG13  ILE  32          2HG1      ILE  32   0.310   5.492  15.257
  203   HG21  ILE  32          1HG2      ILE  32   3.284   6.264  16.927
  204   HG22  ILE  32          2HG2      ILE  32   3.859   4.598  16.882
  205   HG23  ILE  32          3HG2      ILE  32   4.412   5.754  15.671
  206   HD11  ILE  32          1HD1      ILE  32   0.349   3.669  16.787
  207   HD12  ILE  32          2HD1      ILE  32   1.442   4.532  17.869
  208   HD13  ILE  32          3HD1      ILE  32  -0.214   5.098  17.653
  209    H    CYS  33           H        CYS  33   3.202   3.334  13.322
  210    HA   CYS  33           HA       CYS  33   5.918   3.264  13.313
  211    HB2  CYS  33           1HB      CYS  33   3.899   1.908  11.553
  212    HB3  CYS  33           2HB      CYS  33   5.620   1.640  11.294
  213    H    ALA  34           H        ALA  34   4.048   3.861  10.332
  214    HA   ALA  34           HA       ALA  34   5.918   4.501   8.544
  215    HB1  ALA  34           1HB      ALA  34   3.189   5.220   8.917
  216    HB2  ALA  34           2HB      ALA  34   4.067   6.628   8.317
  217    HB3  ALA  34           3HB      ALA  34   4.110   5.112   7.416
  218    H    ILE  35           H        ILE  35   4.637   6.941  10.814
  219    HA   ILE  35           HA       ILE  35   6.025   9.145  10.274
  220    HB   ILE  35           HB       ILE  35   5.788   7.965  13.044
  221   HG12  ILE  35          1HG1      ILE  35   4.042  10.044  11.722
  222   HG13  ILE  35          2HG1      ILE  35   3.670   8.323  11.688
  223   HG21  ILE  35          1HG2      ILE  35   6.200  10.850  12.278
  224   HG22  ILE  35          2HG2      ILE  35   6.142  10.171  13.904
  225   HG23  ILE  35          3HG2      ILE  35   7.486   9.778  12.831
  226   HD11  ILE  35          1HD1      ILE  35   3.628  10.225  13.980
  227   HD12  ILE  35          2HD1      ILE  35   2.416   9.051  13.465
  228   HD13  ILE  35          3HD1      ILE  35   3.887   8.505  14.271
  229    H    SER  36           H        SER  36   7.412   6.424  12.101
  230    HA   SER  36           HA       SER  36   9.987   7.558  12.371
  231    HB2  SER  36           1HB      SER  36   9.014   4.700  12.516
  232    HB3  SER  36           2HB      SER  36  10.681   5.168  12.850
  233    HG   SER  36           HG       SER  36   8.889   5.078  14.611
  234    H    HIS  37           H        HIS  37   8.958   4.843  10.294
  235    HA   HIS  37           HA       HIS  37  11.228   4.558   8.786
  236    HB2  HIS  37           1HB      HIS  37   8.374   4.313   7.811
  237    HB3  HIS  37           2HB      HIS  37   9.787   3.633   7.010
  238    HD2  HIS  37           2HD      HIS  37   7.952   3.140  10.483
  239    HE1  HIS  37           1HE      HIS  37   9.862  -0.474   9.346
  240    HE2  HIS  37           2HE      HIS  37   8.313   0.630  10.997
  241    H    THR  38           H        THR  38   8.400   6.490   7.780
  242    HA   THR  38           HA       THR  38   9.350   7.641   5.511
  243    HB   THR  38           HB       THR  38   7.916   9.379   7.496
  244    HG1  THR  38           1HG      THR  38   6.879   7.133   6.085
  245   HG21  THR  38          1HG2      THR  38   7.599   8.974   4.519
  246   HG22  THR  38          2HG2      THR  38   8.490  10.291   5.282
  247   HG23  THR  38          3HG2      THR  38   6.746  10.159   5.507
  248    H    HIS  39           H        HIS  39  10.289   8.393   8.791
  249    HA   HIS  39           HA       HIS  39  11.659  10.819   8.172
  250    HB2  HIS  39           1HB      HIS  39  10.795  10.160  10.451
  251    HB3  HIS  39           2HB      HIS  39  12.131   9.017  10.551
  252    HD1  HIS  39           1HD      HIS  39  11.296  12.209  11.714
  253    HD2  HIS  39           2HD      HIS  39  14.710  10.620   9.960
  254    HE1  HIS  39           1HE      HIS  39  13.166  13.765  12.352
  255    H    ARG  40           H        ARG  40  12.568   7.431   8.375
  256    HA   ARG  40           HA       ARG  40  15.379   8.012   7.987
  257    HB2  ARG  40           1HB      ARG  40  13.756   5.535   8.410
  258    HB3  ARG  40           2HB      ARG  40  15.368   5.394   7.722
  259    HG2  ARG  40           1HG      ARG  40  15.044   7.004  10.194
  260    HG3  ARG  40           2HG      ARG  40  14.943   5.247  10.319
  261    HD2  ARG  40           1HD      ARG  40  17.126   5.141   9.075
  262    HD3  ARG  40           2HD      ARG  40  17.232   6.891   9.259
  263    HE   ARG  40           HE       ARG  40  17.692   4.902  11.283
  264   HH11  ARG  40          2HH1      ARG  40  16.829   8.217  10.663
  265   HH12  ARG  40          1HH1      ARG  40  17.358   8.781  12.214
  266   HH21  ARG  40          2HH2      ARG  40  18.392   5.632  13.328
  267   HH22  ARG  40          1HH2      ARG  40  18.247   7.310  13.728
  268    H    ALA  41           H        ALA  41  13.336   8.753   5.943
  269    HA   ALA  41           HA       ALA  41  13.160   8.835   3.675
  270    HB1  ALA  41           1HB      ALA  41  15.659   9.135   3.955
  271    HB2  ALA  41           2HB      ALA  41  15.813   7.426   3.542
  272    HB3  ALA  41           3HB      ALA  41  15.112   8.555   2.382
  273    H    HIS  42           H        HIS  42  11.837   6.739   4.890
  274    HA   HIS  42           HA       HIS  42  12.316   4.420   3.157
  275    HB2  HIS  42           1HB      HIS  42  11.071   4.796   5.832
  276    HB3  HIS  42           2HB      HIS  42  10.419   3.517   4.812
  277    HD2  HIS  42           2HD      HIS  42  14.237   4.013   4.558
  278    HE1  HIS  42           1HE      HIS  42  13.534   0.629   7.018
  279    HE2  HIS  42           2HE      HIS  42  15.273   2.025   5.847
  280    H    THR  43           H        THR  43  11.043   4.051   1.470
  281    HA   THR  43           HA       THR  43   8.918   5.794   0.783
  282    HB   THR  43           HB       THR  43   9.565   3.094  -0.416
  283    HG1  THR  43           1HG      THR  43  10.404   5.049  -1.961
  284   HG21  THR  43          1HG2      THR  43   8.342   3.794  -2.329
  285   HG22  THR  43          2HG2      THR  43   8.188   5.440  -1.714
  286   HG23  THR  43          3HG2      THR  43   7.312   4.122  -0.936
  287    H    VAL  44           H        VAL  44   6.881   5.766   1.450
  288    HA   VAL  44           HA       VAL  44   5.640   3.199   2.152
  289    HB   VAL  44           HB       VAL  44   5.460   5.713   3.819
  290   HG11  VAL  44          1HG1      VAL  44   4.173   4.091   5.352
  291   HG12  VAL  44          2HG1      VAL  44   3.332   4.778   3.961
  292   HG13  VAL  44          3HG1      VAL  44   3.948   3.127   3.893
  293   HG21  VAL  44          1HG2      VAL  44   7.141   4.896   5.015
  294   HG22  VAL  44          2HG2      VAL  44   6.253   3.395   5.276
  295   HG23  VAL  44          3HG2      VAL  44   7.300   3.566   3.868
  296    H    VAL  45           H        VAL  45   3.492   3.009   1.644
  297    HA   VAL  45           HA       VAL  45   2.049   5.355   0.671
  298    HB   VAL  45           HB       VAL  45   1.398   4.324  -1.411
  299   HG11  VAL  45          1HG1      VAL  45   4.378   3.995  -1.280
  300   HG12  VAL  45          2HG1      VAL  45   3.389   4.599  -2.611
  301   HG13  VAL  45          3HG1      VAL  45   3.613   5.579  -1.162
  302   HG21  VAL  45          1HG2      VAL  45   1.323   2.016  -0.855
  303   HG22  VAL  45          2HG2      VAL  45   2.527   2.192  -2.132
  304   HG23  VAL  45          3HG2      VAL  45   3.041   1.988  -0.457
  305    HA   PRO  46           HA       PRO  46  -1.364   3.432   2.663
  306    HB2  PRO  46           1HB      PRO  46  -3.416   4.524   1.261
  307    HB3  PRO  46           2HB      PRO  46  -2.456   5.440   2.429
  308    HG2  PRO  46           1HG      PRO  46  -2.237   5.361  -0.555
  309    HG3  PRO  46           2HG      PRO  46  -2.154   6.756   0.537
  310    HD2  PRO  46           1HD      PRO  46   0.055   5.596  -0.515
  311    HD3  PRO  46           2HD      PRO  46   0.046   6.350   1.093
  312    H    LEU  47           H        LEU  47  -2.696   1.674   2.475
  313    HA   LEU  47           HA       LEU  47  -2.506   0.173  -0.009
  314    HB2  LEU  47           1HB      LEU  47  -3.319  -0.467   2.794
  315    HB3  LEU  47           2HB      LEU  47  -3.790  -1.539   1.477
  316    HG   LEU  47           HG       LEU  47  -1.273  -1.599   0.917
  317   HD11  LEU  47          1HD1      LEU  47   0.024  -0.301   2.168
  318   HD12  LEU  47          2HD1      LEU  47  -0.303  -1.395   3.512
  319   HD13  LEU  47          3HD1      LEU  47  -1.292   0.048   3.289
  320   HD21  LEU  47          1HD2      LEU  47  -2.043  -3.621   1.622
  321   HD22  LEU  47          2HD2      LEU  47  -2.742  -2.967   3.104
  322   HD23  LEU  47          3HD2      LEU  47  -1.001  -3.230   2.990
  323    H    SER  48           H        SER  48  -5.178   0.712   2.293
  324    HA   SER  48           HA       SER  48  -7.305   0.021   0.779
  325    HB2  SER  48           1HB      SER  48  -7.310   0.957   3.149
  326    HB3  SER  48           2HB      SER  48  -7.339   2.560   2.415
  327    HG   SER  48           HG       SER  48  -9.430   1.469   2.981
  328    H    GLY  49           H        GLY  49  -5.308   2.842   0.350
  329    HA2  GLY  49           1HA      GLY  49  -7.127   3.874  -1.715
  330    HA3  GLY  49           2HA      GLY  49  -5.800   4.763  -0.981
  331    HA   PRO  50           HA       PRO  50  -4.543   3.089  -5.178
  332    HB2  PRO  50           1HB      PRO  50  -3.922   5.496  -6.269
  333    HB3  PRO  50           2HB      PRO  50  -5.544   4.796  -6.345
  334    HG2  PRO  50           1HG      PRO  50  -4.465   6.878  -4.484
  335    HG3  PRO  50           2HG      PRO  50  -6.027   6.828  -5.322
  336    HD2  PRO  50           1HD      PRO  50  -5.748   6.138  -2.718
  337    HD3  PRO  50           2HD      PRO  50  -6.948   5.379  -3.784
  338    H    SER  51           H        SER  51  -2.410   3.942  -6.375
  339    HA   SER  51           HA       SER  51  -0.305   3.595  -4.450
  340    HB2  SER  51           1HB      SER  51  -0.359   3.893  -7.450
  341    HB3  SER  51           2HB      SER  51   1.156   3.830  -6.550
  342    HG   SER  51           HG       SER  51  -0.347   1.806  -7.338
  343    H    SER  52           H        SER  52   1.024   5.087  -3.610
  344    HA   SER  52           HA       SER  52   0.519   7.884  -4.301
  345    HB2  SER  52           1HB      SER  52   0.368   7.242  -1.925
  346    HB3  SER  52           2HB      SER  52   2.047   6.702  -1.967
  347    HG   SER  52           HG       SER  52   1.549   9.295  -2.828
  348    H    GLY  53           H        GLY  53   1.955   6.484  -6.218
  349    HA2  GLY  53           1HA      GLY  53   3.954   8.037  -7.026
  350    HA3  GLY  53           2HA      GLY  53   4.778   7.084  -5.800
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -14.393  -6.248  -3.751
    2    HA2  GLY   1           1HA      GLY   1 -12.313  -4.579  -3.412
    3    HA3  GLY   1           2HA      GLY   1 -12.141  -6.315  -3.197
    4    H    SER   2           H        SER   2  -9.934  -6.088  -3.847
    5    HA   SER   2           HA       SER   2  -9.634  -5.839  -6.768
    6    HB2  SER   2           1HB      SER   2  -7.868  -4.802  -4.562
    7    HB3  SER   2           2HB      SER   2  -7.223  -5.115  -6.173
    8    HG   SER   2           HG       SER   2  -9.098  -3.741  -6.868
    9    H    SER   3           H        SER   3  -7.995  -7.121  -3.871
   10    HA   SER   3           HA       SER   3  -6.747  -9.214  -5.435
   11    HB2  SER   3           1HB      SER   3  -5.785  -9.900  -3.216
   12    HB3  SER   3           2HB      SER   3  -5.416  -8.240  -3.680
   13    HG   SER   3           HG       SER   3  -6.611  -7.514  -2.083
   14    H    GLY   4           H        GLY   4  -9.046  -9.049  -2.716
   15    HA2  GLY   4           1HA      GLY   4 -10.962 -10.748  -3.442
   16    HA3  GLY   4           2HA      GLY   4  -9.675 -11.875  -3.040
   17    H    SER   5           H        SER   5  -8.606 -11.300  -0.822
   18    HA   SER   5           HA       SER   5 -10.807 -10.887   1.091
   19    HB2  SER   5           1HB      SER   5  -9.396 -12.273   2.658
   20    HB3  SER   5           2HB      SER   5 -10.009 -13.144   1.253
   21    HG   SER   5           HG       SER   5  -7.394 -12.154   1.695
   22    H    SER   6           H        SER   6 -10.706  -9.061   2.199
   23    HA   SER   6           HA       SER   6  -8.252  -7.528   2.293
   24    HB2  SER   6           1HB      SER   6 -11.094  -6.998   3.130
   25    HB3  SER   6           2HB      SER   6  -9.789  -5.914   3.608
   26    HG   SER   6           HG       SER   6 -10.604  -6.589   0.978
   27    H    GLY   7           H        GLY   7 -10.536  -8.871   4.681
   28    HA2  GLY   7           1HA      GLY   7 -10.249  -9.466   6.879
   29    HA3  GLY   7           2HA      GLY   7  -8.597  -9.855   6.422
   30    H    GLU   8           H        GLU   8  -9.124  -8.932   8.939
   31    HA   GLU   8           HA       GLU   8  -8.480  -6.082   8.949
   32    HB2  GLU   8           1HB      GLU   8  -8.720  -6.373  11.462
   33    HB3  GLU   8           2HB      GLU   8 -10.177  -6.606  10.507
   34    HG2  GLU   8           1HG      GLU   8  -8.485  -8.955  11.221
   35    HG3  GLU   8           2HG      GLU   8  -9.584  -8.265  12.414
   36    H    SER   9           H        SER   9  -6.482  -5.346   9.224
   37    HA   SER   9           HA       SER   9  -4.466  -7.149  10.391
   38    HB2  SER   9           1HB      SER   9  -2.817  -6.337   8.798
   39    HB3  SER   9           2HB      SER   9  -4.207  -6.980   7.923
   40    HG   SER   9           HG       SER   9  -4.232  -4.266   8.550
   41    H    LEU  10           H        LEU  10  -3.974  -6.307  12.310
   42    HA   LEU  10           HA       LEU  10  -3.635  -3.388  12.514
   43    HB2  LEU  10           1HB      LEU  10  -4.103  -5.281  14.802
   44    HB3  LEU  10           2HB      LEU  10  -4.206  -3.522  14.813
   45    HG   LEU  10           HG       LEU  10  -6.081  -5.016  13.053
   46   HD11  LEU  10          1HD1      LEU  10  -6.235  -4.939  16.055
   47   HD12  LEU  10          2HD1      LEU  10  -6.332  -6.341  14.990
   48   HD13  LEU  10          3HD1      LEU  10  -7.649  -5.169  15.027
   49   HD21  LEU  10          1HD2      LEU  10  -7.550  -3.147  14.166
   50   HD22  LEU  10          2HD2      LEU  10  -6.426  -2.758  12.863
   51   HD23  LEU  10          3HD2      LEU  10  -5.980  -2.436  14.539
   52    H    CYS  11           H        CYS  11  -1.789  -2.553  13.420
   53    HA   CYS  11           HA       CYS  11   0.627  -3.750  13.048
   54    HB2  CYS  11           1HB      CYS  11  -0.055  -1.318  13.851
   55    HB3  CYS  11           2HB      CYS  11   0.362  -1.972  15.432
   56    HA   PRO  12           HA       PRO  12   0.898  -6.960  16.072
   57    HB2  PRO  12           1HB      PRO  12   3.565  -7.424  15.866
   58    HB3  PRO  12           2HB      PRO  12   2.401  -7.952  14.645
   59    HG2  PRO  12           1HG      PRO  12   4.187  -5.550  14.646
   60    HG3  PRO  12           2HG      PRO  12   3.824  -6.674  13.323
   61    HD2  PRO  12           1HD      PRO  12   2.641  -4.248  13.540
   62    HD3  PRO  12           2HD      PRO  12   1.813  -5.655  12.842
   63    H    GLN  13           H        GLN  13   2.030  -3.856  16.425
   64    HA   GLN  13           HA       GLN  13   2.899  -4.406  19.182
   65    HB2  GLN  13           1HB      GLN  13   4.806  -3.802  17.647
   66    HB3  GLN  13           2HB      GLN  13   4.051  -2.228  17.437
   67    HG2  GLN  13           1HG      GLN  13   4.427  -1.619  19.661
   68    HG3  GLN  13           2HG      GLN  13   4.742  -3.283  20.153
   69   HE21  GLN  13          1HE2      GLN  13   6.784  -3.776  20.458
   70   HE22  GLN  13          2HE2      GLN  13   8.144  -2.992  19.736
   71    H    HIS  14           H        HIS  14   1.591  -2.001  16.931
   72    HA   HIS  14           HA       HIS  14   0.537  -0.437  19.156
   73    HB2  HIS  14           1HB      HIS  14   0.484   0.056  16.172
   74    HB3  HIS  14           2HB      HIS  14  -0.160   1.161  17.382
   75    HD2  HIS  14           2HD      HIS  14   1.896   2.263  19.126
   76    HE1  HIS  14           1HE      HIS  14   4.968   1.557  16.286
   77    HE2  HIS  14           2HE      HIS  14   4.358   2.686  18.453
   78    H    HIS  15           H        HIS  15  -0.445  -2.927  17.091
   79    HA   HIS  15           HA       HIS  15  -2.459  -3.861  16.556
   80    HB2  HIS  15           1HB      HIS  15  -3.119  -2.764  19.297
   81    HB3  HIS  15           2HB      HIS  15  -4.070  -3.973  18.440
   82    HD1  HIS  15           1HD      HIS  15  -3.652  -5.718  20.301
   83    HD2  HIS  15           2HD      HIS  15  -0.196  -4.350  18.446
   84    HE1  HIS  15           1HE      HIS  15  -1.833  -7.301  21.017
   85    H    GLU  16           H        GLU  16  -2.198  -1.467  15.296
   86    HA   GLU  16           HA       GLU  16  -4.913  -0.336  15.472
   87    HB2  GLU  16           1HB      GLU  16  -2.266   1.017  15.139
   88    HB3  GLU  16           2HB      GLU  16  -3.692   1.733  14.401
   89    HG2  GLU  16           1HG      GLU  16  -3.309   1.126  17.323
   90    HG3  GLU  16           2HG      GLU  16  -3.270   2.717  16.566
   91    H    ALA  17           H        ALA  17  -5.833   0.412  13.476
   92    HA   ALA  17           HA       ALA  17  -5.738  -1.349  11.379
   93    HB1  ALA  17           1HB      ALA  17  -6.884   0.334  10.047
   94    HB2  ALA  17           2HB      ALA  17  -7.513   0.309  11.695
   95    HB3  ALA  17           3HB      ALA  17  -6.405   1.587  11.193
   96    H    LEU  18           H        LEU  18  -4.216  -1.864   9.963
   97    HA   LEU  18           HA       LEU  18  -1.957  -0.089   9.541
   98    HB2  LEU  18           1HB      LEU  18  -2.495  -2.848   8.453
   99    HB3  LEU  18           2HB      LEU  18  -0.977  -1.963   8.325
  100    HG   LEU  18           HG       LEU  18  -2.209  -2.882  10.921
  101   HD11  LEU  18          1HD1      LEU  18  -1.584  -4.827   9.690
  102   HD12  LEU  18          2HD1      LEU  18  -0.336  -4.533  10.900
  103   HD13  LEU  18          3HD1      LEU  18  -0.048  -4.102   9.214
  104   HD21  LEU  18          1HD2      LEU  18   0.645  -2.328  10.826
  105   HD22  LEU  18          2HD2      LEU  18  -0.577  -1.788  11.978
  106   HD23  LEU  18          3HD2      LEU  18  -0.340  -0.910  10.466
  107    H    SER  19           H        SER  19  -2.840   1.583   8.311
  108    HA   SER  19           HA       SER  19  -3.924   0.868   5.680
  109    HB2  SER  19           1HB      SER  19  -4.081   3.346   7.375
  110    HB3  SER  19           2HB      SER  19  -4.414   3.420   5.645
  111    HG   SER  19           HG       SER  19  -5.927   1.615   6.113
  112    H    LEU  20           H        LEU  20  -1.076   0.700   6.380
  113    HA   LEU  20           HA       LEU  20  -0.066   2.343   4.188
  114    HB2  LEU  20           1HB      LEU  20   1.030   2.339   6.988
  115    HB3  LEU  20           2HB      LEU  20   1.979   2.853   5.594
  116    HG   LEU  20           HG       LEU  20  -0.602   4.140   6.481
  117   HD11  LEU  20          1HD1      LEU  20   2.271   4.831   7.026
  118   HD12  LEU  20          2HD1      LEU  20   0.955   4.613   8.180
  119   HD13  LEU  20          3HD1      LEU  20   0.973   6.022   7.120
  120   HD21  LEU  20          1HD2      LEU  20   0.009   5.898   4.925
  121   HD22  LEU  20          2HD2      LEU  20  -0.108   4.352   4.084
  122   HD23  LEU  20          3HD2      LEU  20   1.475   5.024   4.480
  123    H    PHE  21           H        PHE  21   2.368   1.728   3.836
  124    HA   PHE  21           HA       PHE  21   3.167  -0.903   4.586
  125    HB2  PHE  21           1HB      PHE  21   1.421  -1.487   2.948
  126    HB3  PHE  21           2HB      PHE  21   2.238  -0.508   1.734
  127    HD1  PHE  21           1HD      PHE  21   2.443  -3.574   3.752
  128    HD2  PHE  21           2HD      PHE  21   4.152  -1.315   0.575
  129    HE1  PHE  21           1HE      PHE  21   3.795  -5.523   3.098
  130    HE2  PHE  21           2HE      PHE  21   5.506  -3.261  -0.085
  131    HZ   PHE  21           HZ       PHE  21   5.328  -5.368   1.177
  132    H    CYS  22           H        CYS  22   5.303  -0.806   4.673
  133    HA   CYS  22           HA       CYS  22   6.727   1.269   3.240
  134    HB2  CYS  22           1HB      CYS  22   7.242   0.777   5.609
  135    HB3  CYS  22           2HB      CYS  22   7.769  -0.838   5.146
  136    H    TYR  23           H        TYR  23   7.393   0.947   1.230
  137    HA   TYR  23           HA       TYR  23   7.453  -1.497  -0.104
  138    HB2  TYR  23           1HB      TYR  23   8.486   1.231  -0.640
  139    HB3  TYR  23           2HB      TYR  23   9.197  -0.074  -1.581
  140    HD1  TYR  23           1HD      TYR  23   7.721  -1.498  -3.014
  141    HD2  TYR  23           2HD      TYR  23   6.298   2.026  -1.100
  142    HE1  TYR  23           1HE      TYR  23   5.794  -1.454  -4.541
  143    HE2  TYR  23           2HE      TYR  23   4.367   2.079  -2.622
  144    HH   TYR  23           HH       TYR  23   3.418   1.177  -4.425
  145    H    GLU  24           H        GLU  24  10.199   0.390   1.168
  146    HA   GLU  24           HA       GLU  24  12.250  -1.335   0.523
  147    HB2  GLU  24           1HB      GLU  24  11.836   0.678   2.679
  148    HB3  GLU  24           2HB      GLU  24  13.211  -0.409   2.826
  149    HG2  GLU  24           1HG      GLU  24  13.863   1.662   1.761
  150    HG3  GLU  24           2HG      GLU  24  14.021   0.311   0.641
  151    H    ASP  25           H        ASP  25  10.579  -1.211   3.673
  152    HA   ASP  25           HA       ASP  25  11.739  -3.614   4.624
  153    HB2  ASP  25           1HB      ASP  25   9.283  -2.095   5.521
  154    HB3  ASP  25           2HB      ASP  25   9.955  -3.475   6.384
  155    H    GLN  26           H        GLN  26   9.235  -3.015   2.418
  156    HA   GLN  26           HA       GLN  26   7.700  -4.328   1.369
  157    HB2  GLN  26           1HB      GLN  26   9.742  -6.373   2.219
  158    HB3  GLN  26           2HB      GLN  26   8.330  -6.806   1.263
  159    HG2  GLN  26           1HG      GLN  26  10.285  -4.690   0.416
  160    HG3  GLN  26           2HG      GLN  26  10.461  -6.391  -0.011
  161   HE21  GLN  26          1HE2      GLN  26   8.326  -3.606  -0.274
  162   HE22  GLN  26          2HE2      GLN  26   7.560  -4.099  -1.741
  163    H    GLU  27           H        GLU  27   7.247  -3.687   4.160
  164    HA   GLU  27           HA       GLU  27   5.414  -5.891   4.804
  165    HB2  GLU  27           1HB      GLU  27   5.927  -5.742   7.151
  166    HB3  GLU  27           2HB      GLU  27   7.425  -6.000   6.267
  167    HG2  GLU  27           1HG      GLU  27   7.711  -3.466   6.364
  168    HG3  GLU  27           2HG      GLU  27   6.438  -3.497   7.583
  169    H    ALA  28           H        ALA  28   3.781  -5.148   6.516
  170    HA   ALA  28           HA       ALA  28   2.767  -2.532   5.672
  171    HB1  ALA  28           1HB      ALA  28   0.988  -3.892   5.367
  172    HB2  ALA  28           2HB      ALA  28   1.524  -5.049   6.586
  173    HB3  ALA  28           3HB      ALA  28   0.727  -3.556   7.079
  174    H    VAL  29           H        VAL  29   2.175  -0.936   7.127
  175    HA   VAL  29           HA       VAL  29   2.733  -1.377   9.965
  176    HB   VAL  29           HB       VAL  29   4.067   0.643  10.161
  177   HG11  VAL  29          1HG1      VAL  29   5.070  -1.631   9.534
  178   HG12  VAL  29          2HG1      VAL  29   5.308  -0.934   7.930
  179   HG13  VAL  29          3HG1      VAL  29   6.083  -0.202   9.336
  180   HG21  VAL  29          1HG2      VAL  29   3.918   2.240   8.625
  181   HG22  VAL  29          2HG2      VAL  29   4.802   1.208   7.501
  182   HG23  VAL  29          3HG2      VAL  29   3.039   1.163   7.541
  183    H    CYS  30           H        CYS  30   2.081   0.607  11.269
  184    HA   CYS  30           HA       CYS  30  -0.523   1.495  10.285
  185    HB2  CYS  30           1HB      CYS  30  -1.018   2.070  12.583
  186    HB3  CYS  30           2HB      CYS  30  -0.347   0.443  12.533
  187    H    LEU  31           H        LEU  31  -1.088   3.792  11.327
  188    HA   LEU  31           HA       LEU  31   0.325   5.692   9.836
  189    HB2  LEU  31           1HB      LEU  31  -1.119   7.271  10.704
  190    HB3  LEU  31           2HB      LEU  31  -2.049   5.779  10.830
  191    HG   LEU  31           HG       LEU  31  -0.476   6.707  13.189
  192   HD11  LEU  31          1HD1      LEU  31  -2.296   8.108  13.933
  193   HD12  LEU  31          2HD1      LEU  31  -3.196   7.777  12.453
  194   HD13  LEU  31          3HD1      LEU  31  -1.692   8.695  12.383
  195   HD21  LEU  31          1HD2      LEU  31  -3.146   5.752  13.653
  196   HD22  LEU  31          2HD2      LEU  31  -1.607   5.088  14.202
  197   HD23  LEU  31          3HD2      LEU  31  -2.258   4.623  12.629
  198    H    ILE  32           H        ILE  32   0.655   4.650  13.173
  199    HA   ILE  32           HA       ILE  32   2.391   6.727  14.012
  200    HB   ILE  32           HB       ILE  32   2.008   3.935  15.093
  201   HG12  ILE  32          1HG1      ILE  32   1.084   6.547  16.282
  202   HG13  ILE  32          2HG1      ILE  32   0.095   5.637  15.145
  203   HG21  ILE  32          1HG2      ILE  32   4.234   4.869  15.647
  204   HG22  ILE  32          2HG2      ILE  32   3.433   6.249  16.396
  205   HG23  ILE  32          3HG2      ILE  32   3.208   4.632  17.062
  206   HD11  ILE  32          1HD1      ILE  32  -0.248   5.334  17.693
  207   HD12  ILE  32          2HD1      ILE  32  -0.271   3.923  16.634
  208   HD13  ILE  32          3HD1      ILE  32   1.171   4.294  17.579
  209    H    CYS  33           H        CYS  33   3.237   3.289  13.591
  210    HA   CYS  33           HA       CYS  33   5.907   3.346  13.618
  211    HB2  CYS  33           1HB      CYS  33   4.080   1.845  11.758
  212    HB3  CYS  33           2HB      CYS  33   5.824   1.612  11.704
  213    H    ALA  34           H        ALA  34   4.051   4.000  10.644
  214    HA   ALA  34           HA       ALA  34   5.902   4.530   8.802
  215    HB1  ALA  34           1HB      ALA  34   3.907   6.705   9.115
  216    HB2  ALA  34           2HB      ALA  34   4.359   5.776   7.685
  217    HB3  ALA  34           3HB      ALA  34   3.306   5.060   8.905
  218    H    ILE  35           H        ILE  35   5.062   6.784  11.414
  219    HA   ILE  35           HA       ILE  35   6.441   9.015  10.868
  220    HB   ILE  35           HB       ILE  35   6.549   7.568  13.517
  221   HG12  ILE  35          1HG1      ILE  35   4.279   8.158  12.462
  222   HG13  ILE  35          2HG1      ILE  35   4.576   8.704  14.109
  223   HG21  ILE  35          1HG2      ILE  35   7.158   9.623  14.529
  224   HG22  ILE  35          2HG2      ILE  35   8.256   9.387  13.171
  225   HG23  ILE  35          3HG2      ILE  35   6.908  10.515  13.029
  226   HD11  ILE  35          1HD1      ILE  35   5.240  10.547  11.881
  227   HD12  ILE  35          2HD1      ILE  35   3.543  10.294  12.292
  228   HD13  ILE  35          3HD1      ILE  35   4.666  10.897  13.511
  229    H    SER  36           H        SER  36   8.004   6.271  12.536
  230    HA   SER  36           HA       SER  36  10.604   7.222  12.448
  231    HB2  SER  36           1HB      SER  36  11.311   4.887  12.748
  232    HB3  SER  36           2HB      SER  36   9.920   5.259  13.767
  233    HG   SER  36           HG       SER  36   8.693   4.379  11.844
  234    H    HIS  37           H        HIS  37   8.942   5.134  10.099
  235    HA   HIS  37           HA       HIS  37  11.050   4.761   8.324
  236    HB2  HIS  37           1HB      HIS  37   8.076   4.922   7.811
  237    HB3  HIS  37           2HB      HIS  37   9.248   4.413   6.599
  238    HD2  HIS  37           2HD      HIS  37   7.330   2.985   9.615
  239    HE1  HIS  37           1HE      HIS  37   9.990  -0.025   8.249
  240    HE2  HIS  37           2HE      HIS  37   7.999   0.488   9.704
  241    H    THR  38           H        THR  38   8.336   7.000   7.745
  242    HA   THR  38           HA       THR  38   9.291   8.422   5.654
  243    HB   THR  38           HB       THR  38   8.083  10.430   6.571
  244    HG1  THR  38           1HG      THR  38   8.040   8.748   8.822
  245   HG21  THR  38          1HG2      THR  38   5.933   8.720   7.006
  246   HG22  THR  38          2HG2      THR  38   7.014   7.809   5.952
  247   HG23  THR  38          3HG2      THR  38   6.439   9.402   5.462
  248    H    HIS  39           H        HIS  39  10.363   8.667   8.977
  249    HA   HIS  39           HA       HIS  39  11.865  11.059   8.675
  250    HB2  HIS  39           1HB      HIS  39  11.062   9.820  10.838
  251    HB3  HIS  39           2HB      HIS  39  12.585   8.950  10.681
  252    HD1  HIS  39           1HD      HIS  39  13.324  10.082  12.939
  253    HD2  HIS  39           2HD      HIS  39  12.726  12.700   9.769
  254    HE1  HIS  39           1HE      HIS  39  14.403  12.243  13.639
  255    H    ARG  40           H        ARG  40  12.685   7.622   8.461
  256    HA   ARG  40           HA       ARG  40  15.459   8.176   7.889
  257    HB2  ARG  40           1HB      ARG  40  13.804   5.665   8.000
  258    HB3  ARG  40           2HB      ARG  40  15.458   5.648   7.401
  259    HG2  ARG  40           1HG      ARG  40  16.205   6.596   9.559
  260    HG3  ARG  40           2HG      ARG  40  14.546   6.473  10.148
  261    HD2  ARG  40           1HD      ARG  40  15.879   4.572  10.890
  262    HD3  ARG  40           2HD      ARG  40  14.598   4.056   9.794
  263    HE   ARG  40           HE       ARG  40  16.658   4.342   8.116
  264   HH11  ARG  40          2HH1      ARG  40  16.413   2.766  11.210
  265   HH12  ARG  40          1HH1      ARG  40  17.623   1.580  10.848
  266   HH21  ARG  40          2HH2      ARG  40  18.252   2.786   7.627
  267   HH22  ARG  40          1HH2      ARG  40  18.669   1.593   8.810
  268    H    ALA  41           H        ALA  41  13.013   8.929   6.111
  269    HA   ALA  41           HA       ALA  41  12.656   9.270   3.888
  270    HB1  ALA  41           1HB      ALA  41  14.976   9.999   3.846
  271    HB2  ALA  41           2HB      ALA  41  15.511   8.332   3.623
  272    HB3  ALA  41           3HB      ALA  41  14.570   9.133   2.364
  273    H    HIS  42           H        HIS  42  11.916   6.771   5.073
  274    HA   HIS  42           HA       HIS  42  12.499   4.724   3.102
  275    HB2  HIS  42           1HB      HIS  42  11.160   4.817   5.754
  276    HB3  HIS  42           2HB      HIS  42  10.642   3.555   4.640
  277    HD2  HIS  42           2HD      HIS  42  14.338   4.734   5.460
  278    HE1  HIS  42           1HE      HIS  42  13.997   0.547   6.049
  279    HE2  HIS  42           2HE      HIS  42  15.525   2.545   6.161
  280    H    THR  43           H        THR  43  11.062   3.862   1.644
  281    HA   THR  43           HA       THR  43   8.916   5.598   0.816
  282    HB   THR  43           HB       THR  43   9.764   2.930  -0.329
  283    HG1  THR  43           1HG      THR  43  10.330   5.322  -1.636
  284   HG21  THR  43          1HG2      THR  43   8.119   5.135  -1.575
  285   HG22  THR  43          2HG2      THR  43   7.458   3.641  -0.912
  286   HG23  THR  43          3HG2      THR  43   8.537   3.586  -2.305
  287    H    VAL  44           H        VAL  44   6.915   5.476   1.570
  288    HA   VAL  44           HA       VAL  44   5.764   2.848   2.165
  289    HB   VAL  44           HB       VAL  44   5.680   5.208   4.048
  290   HG11  VAL  44          1HG1      VAL  44   3.622   4.447   4.526
  291   HG12  VAL  44          2HG1      VAL  44   3.900   2.898   3.727
  292   HG13  VAL  44          3HG1      VAL  44   4.481   3.160   5.372
  293   HG21  VAL  44          1HG2      VAL  44   7.641   3.409   3.883
  294   HG22  VAL  44          2HG2      VAL  44   7.099   4.082   5.420
  295   HG23  VAL  44          3HG2      VAL  44   6.524   2.499   4.899
  296    H    VAL  45           H        VAL  45   3.910   2.631   1.115
  297    HA   VAL  45           HA       VAL  45   2.329   5.052   0.530
  298    HB   VAL  45           HB       VAL  45   1.582   4.060  -1.530
  299   HG11  VAL  45          1HG1      VAL  45   3.721   5.277  -1.555
  300   HG12  VAL  45          2HG1      VAL  45   4.575   3.753  -1.308
  301   HG13  VAL  45          3HG1      VAL  45   3.653   4.019  -2.789
  302   HG21  VAL  45          1HG2      VAL  45   1.535   1.722  -0.739
  303   HG22  VAL  45          2HG2      VAL  45   2.322   1.892  -2.309
  304   HG23  VAL  45          3HG2      VAL  45   3.295   1.670  -0.854
  305    HA   PRO  46           HA       PRO  46  -1.032   3.206   2.683
  306    HB2  PRO  46           1HB      PRO  46  -3.108   4.430   1.433
  307    HB3  PRO  46           2HB      PRO  46  -2.046   5.264   2.574
  308    HG2  PRO  46           1HG      PRO  46  -1.993   5.277  -0.419
  309    HG3  PRO  46           2HG      PRO  46  -1.790   6.630   0.709
  310    HD2  PRO  46           1HD      PRO  46   0.306   5.414  -0.500
  311    HD3  PRO  46           2HD      PRO  46   0.416   6.113   1.128
  312    H    LEU  47           H        LEU  47  -1.585   1.140   2.403
  313    HA   LEU  47           HA       LEU  47  -2.265   0.149  -0.252
  314    HB2  LEU  47           1HB      LEU  47  -1.362  -1.028   2.292
  315    HB3  LEU  47           2HB      LEU  47  -2.493  -2.008   1.362
  316    HG   LEU  47           HG       LEU  47  -0.982  -2.072  -0.509
  317   HD11  LEU  47          1HD1      LEU  47   1.389  -1.061   0.021
  318   HD12  LEU  47          2HD1      LEU  47   0.445   0.033   1.032
  319   HD13  LEU  47          3HD1      LEU  47   0.114  -0.077  -0.697
  320   HD21  LEU  47          1HD2      LEU  47  -0.418  -3.840   0.822
  321   HD22  LEU  47          2HD2      LEU  47   0.027  -2.815   2.188
  322   HD23  LEU  47          3HD2      LEU  47   1.118  -2.972   0.810
  323    H    SER  48           H        SER  48  -4.303   0.204  -0.901
  324    HA   SER  48           HA       SER  48  -6.584   0.348  -0.860
  325    HB2  SER  48           1HB      SER  48  -6.025  -1.906   1.068
  326    HB3  SER  48           2HB      SER  48  -7.660  -1.478   0.563
  327    HG   SER  48           HG       SER  48  -5.862  -2.963  -0.726
  328    H    GLY  49           H        GLY  49  -5.076   2.040   1.076
  329    HA2  GLY  49           1HA      GLY  49  -7.059   2.295   3.233
  330    HA3  GLY  49           2HA      GLY  49  -5.449   2.999   3.235
  331    HA   PRO  50           HA       PRO  50  -8.475   6.346   2.193
  332    HB2  PRO  50           1HB      PRO  50  -7.380   8.177   3.870
  333    HB3  PRO  50           2HB      PRO  50  -8.599   7.008   4.389
  334    HG2  PRO  50           1HG      PRO  50  -5.626   6.917   4.721
  335    HG3  PRO  50           2HG      PRO  50  -6.895   6.510   5.891
  336    HD2  PRO  50           1HD      PRO  50  -5.547   4.626   4.488
  337    HD3  PRO  50           2HD      PRO  50  -7.242   4.422   4.977
  338    H    SER  51           H        SER  51  -8.090   7.601   0.483
  339    HA   SER  51           HA       SER  51  -5.518   7.859  -0.655
  340    HB2  SER  51           1HB      SER  51  -7.496   7.898  -2.060
  341    HB3  SER  51           2HB      SER  51  -8.089   9.346  -1.246
  342    HG   SER  51           HG       SER  51  -7.086  10.261  -2.879
  343    H    SER  52           H        SER  52  -3.961   9.319  -0.367
  344    HA   SER  52           HA       SER  52  -4.621  11.807   1.066
  345    HB2  SER  52           1HB      SER  52  -3.477  10.480   2.671
  346    HB3  SER  52           2HB      SER  52  -2.286   9.941   1.488
  347    HG   SER  52           HG       SER  52  -2.110  12.001   3.108
  348    H    GLY  53           H        GLY  53  -3.210  13.614   0.633
  349    HA2  GLY  53           1HA      GLY  53  -2.236  13.552  -2.131
  350    HA3  GLY  53           2HA      GLY  53  -2.612  14.994  -1.200
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -8.960  -8.700  31.849
    2    HA2  GLY   1           1HA      GLY   1  -7.274  -7.367  30.048
    3    HA3  GLY   1           2HA      GLY   1  -7.064  -9.095  29.808
    4    H    SER   2           H        SER   2  -8.554  -6.573  28.524
    5    HA   SER   2           HA       SER   2 -10.813  -8.201  27.583
    6    HB2  SER   2           1HB      SER   2 -10.889  -5.327  28.504
    7    HB3  SER   2           2HB      SER   2 -12.141  -6.026  27.478
    8    HG   SER   2           HG       SER   2 -12.332  -6.073  29.932
    9    H    SER   3           H        SER   3 -11.646  -7.551  25.482
   10    HA   SER   3           HA       SER   3  -9.806  -5.929  23.876
   11    HB2  SER   3           1HB      SER   3  -9.543  -7.579  22.193
   12    HB3  SER   3           2HB      SER   3  -9.271  -8.426  23.716
   13    HG   SER   3           HG       SER   3 -10.777  -9.362  22.034
   14    H    GLY   4           H        GLY   4 -10.772  -5.713  21.556
   15    HA2  GLY   4           1HA      GLY   4 -13.421  -6.016  20.918
   16    HA3  GLY   4           2HA      GLY   4 -13.370  -4.546  21.880
   17    H    SER   5           H        SER   5 -11.918  -6.087  19.032
   18    HA   SER   5           HA       SER   5 -12.216  -3.682  17.499
   19    HB2  SER   5           1HB      SER   5  -9.867  -3.279  17.035
   20    HB3  SER   5           2HB      SER   5 -10.132  -3.201  18.777
   21    HG   SER   5           HG       SER   5  -8.936  -5.268  17.265
   22    H    SER   6           H        SER   6 -12.441  -4.162  15.396
   23    HA   SER   6           HA       SER   6 -11.532  -6.812  14.482
   24    HB2  SER   6           1HB      SER   6 -13.549  -7.132  13.253
   25    HB3  SER   6           2HB      SER   6 -14.038  -6.612  14.865
   26    HG   SER   6           HG       SER   6 -14.021  -5.136  12.459
   27    H    GLY   7           H        GLY   7 -10.531  -6.909  12.534
   28    HA2  GLY   7           1HA      GLY   7 -10.769  -4.861  10.552
   29    HA3  GLY   7           2HA      GLY   7  -9.261  -4.728  11.444
   30    H    GLU   8           H        GLU   8  -8.345  -5.092   9.267
   31    HA   GLU   8           HA       GLU   8  -8.294  -7.958   8.587
   32    HB2  GLU   8           1HB      GLU   8  -7.988  -5.511   6.858
   33    HB3  GLU   8           2HB      GLU   8  -7.465  -7.102   6.322
   34    HG2  GLU   8           1HG      GLU   8  -9.657  -6.615   5.455
   35    HG3  GLU   8           2HG      GLU   8  -9.750  -7.940   6.615
   36    H    SER   9           H        SER   9  -6.429  -5.145   9.386
   37    HA   SER   9           HA       SER   9  -4.083  -6.795   9.794
   38    HB2  SER   9           1HB      SER   9  -4.045  -4.454   7.875
   39    HB3  SER   9           2HB      SER   9  -2.608  -5.279   8.479
   40    HG   SER   9           HG       SER   9  -4.344  -7.077   7.506
   41    H    LEU  10           H        LEU  10  -3.250  -6.245  11.688
   42    HA   LEU  10           HA       LEU  10  -3.367  -3.433  12.534
   43    HB2  LEU  10           1HB      LEU  10  -3.979  -5.825  14.264
   44    HB3  LEU  10           2HB      LEU  10  -3.871  -4.157  14.824
   45    HG   LEU  10           HG       LEU  10  -5.884  -5.036  12.769
   46   HD11  LEU  10          1HD1      LEU  10  -7.500  -5.079  14.675
   47   HD12  LEU  10          2HD1      LEU  10  -6.118  -5.044  15.771
   48   HD13  LEU  10          3HD1      LEU  10  -6.334  -6.403  14.668
   49   HD21  LEU  10          1HD2      LEU  10  -6.784  -2.938  14.414
   50   HD22  LEU  10          2HD2      LEU  10  -6.337  -2.866  12.709
   51   HD23  LEU  10          3HD2      LEU  10  -5.128  -2.545  13.953
   52    H    CYS  11           H        CYS  11  -1.557  -2.661  13.488
   53    HA   CYS  11           HA       CYS  11   0.896  -3.860  13.133
   54    HB2  CYS  11           1HB      CYS  11   0.187  -1.419  13.881
   55    HB3  CYS  11           2HB      CYS  11   0.543  -2.053  15.484
   56    HA   PRO  12           HA       PRO  12   1.055  -7.034  16.201
   57    HB2  PRO  12           1HB      PRO  12   3.727  -7.503  16.097
   58    HB3  PRO  12           2HB      PRO  12   2.607  -8.044  14.841
   59    HG2  PRO  12           1HG      PRO  12   4.395  -5.644  14.877
   60    HG3  PRO  12           2HG      PRO  12   4.078  -6.783  13.556
   61    HD2  PRO  12           1HD      PRO  12   2.890  -4.354  13.702
   62    HD3  PRO  12           2HD      PRO  12   2.087  -5.768  12.991
   63    H    GLN  13           H        GLN  13   2.308  -3.937  16.515
   64    HA   GLN  13           HA       GLN  13   3.040  -4.452  19.321
   65    HB2  GLN  13           1HB      GLN  13   4.974  -3.849  17.788
   66    HB3  GLN  13           2HB      GLN  13   4.234  -2.263  17.625
   67    HG2  GLN  13           1HG      GLN  13   5.373  -3.534  20.091
   68    HG3  GLN  13           2HG      GLN  13   5.894  -2.059  19.279
   69   HE21  GLN  13          1HE2      GLN  13   4.232  -3.248  21.855
   70   HE22  GLN  13          2HE2      GLN  13   3.262  -1.869  22.234
   71    H    HIS  14           H        HIS  14   1.883  -1.999  17.026
   72    HA   HIS  14           HA       HIS  14   0.779  -0.398  19.178
   73    HB2  HIS  14           1HB      HIS  14   0.611  -0.029  16.179
   74    HB3  HIS  14           2HB      HIS  14   0.096   1.144  17.388
   75    HD2  HIS  14           2HD      HIS  14   2.439   1.910  19.120
   76    HE1  HIS  14           1HE      HIS  14   5.055   1.509  15.804
   77    HE2  HIS  14           2HE      HIS  14   4.798   2.361  18.161
   78    H    HIS  15           H        HIS  15  -0.239  -2.909  17.096
   79    HA   HIS  15           HA       HIS  15  -2.245  -3.912  16.696
   80    HB2  HIS  15           1HB      HIS  15  -2.818  -2.671  19.391
   81    HB3  HIS  15           2HB      HIS  15  -3.887  -3.824  18.599
   82    HD1  HIS  15           1HD      HIS  15  -0.683  -3.579  20.471
   83    HD2  HIS  15           2HD      HIS  15  -2.942  -6.483  18.541
   84    HE1  HIS  15           1HE      HIS  15   0.294  -5.781  21.193
   85    H    GLU  16           H        GLU  16  -1.851  -1.268  15.604
   86    HA   GLU  16           HA       GLU  16  -4.617  -0.259  15.588
   87    HB2  GLU  16           1HB      GLU  16  -2.004   1.142  15.024
   88    HB3  GLU  16           2HB      GLU  16  -3.572   1.849  14.662
   89    HG2  GLU  16           1HG      GLU  16  -4.004   1.260  17.209
   90    HG3  GLU  16           2HG      GLU  16  -2.248   1.397  17.271
   91    H    ALA  17           H        ALA  17  -5.602   0.245  13.612
   92    HA   ALA  17           HA       ALA  17  -5.464  -1.488  11.555
   93    HB1  ALA  17           1HB      ALA  17  -7.207   0.190  11.729
   94    HB2  ALA  17           2HB      ALA  17  -6.058   1.458  11.304
   95    HB3  ALA  17           3HB      ALA  17  -6.487   0.224  10.120
   96    H    LEU  18           H        LEU  18  -4.156  -1.963   9.897
   97    HA   LEU  18           HA       LEU  18  -1.736  -0.354   9.564
   98    HB2  LEU  18           1HB      LEU  18  -2.430  -3.099   8.529
   99    HB3  LEU  18           2HB      LEU  18  -0.880  -2.289   8.313
  100    HG   LEU  18           HG       LEU  18  -2.030  -3.059  10.993
  101   HD11  LEU  18          1HD1      LEU  18   0.083  -4.682  10.673
  102   HD12  LEU  18          2HD1      LEU  18  -0.477  -4.586   9.004
  103   HD13  LEU  18          3HD1      LEU  18  -1.570  -5.145  10.270
  104   HD21  LEU  18          1HD2      LEU  18  -0.488  -1.547  11.625
  105   HD22  LEU  18          2HD2      LEU  18   0.361  -1.609  10.081
  106   HD23  LEU  18          3HD2      LEU  18   0.649  -2.854  11.297
  107    H    SER  19           H        SER  19  -2.681   1.357   8.373
  108    HA   SER  19           HA       SER  19  -3.653   0.659   5.690
  109    HB2  SER  19           1HB      SER  19  -3.872   3.244   7.251
  110    HB3  SER  19           2HB      SER  19  -4.480   3.006   5.613
  111    HG   SER  19           HG       SER  19  -5.283   1.157   7.524
  112    H    LEU  20           H        LEU  20  -0.924   0.383   6.134
  113    HA   LEU  20           HA       LEU  20   0.104   2.230   4.164
  114    HB2  LEU  20           1HB      LEU  20   1.143   2.154   6.983
  115    HB3  LEU  20           2HB      LEU  20   2.116   2.732   5.632
  116    HG   LEU  20           HG       LEU  20  -0.517   3.936   6.481
  117   HD11  LEU  20          1HD1      LEU  20   2.316   4.599   7.200
  118   HD12  LEU  20          2HD1      LEU  20   0.911   4.431   8.252
  119   HD13  LEU  20          3HD1      LEU  20   1.057   5.834   7.194
  120   HD21  LEU  20          1HD2      LEU  20   0.050   4.248   4.115
  121   HD22  LEU  20          2HD2      LEU  20   1.611   4.924   4.583
  122   HD23  LEU  20          3HD2      LEU  20   0.120   5.765   5.013
  123    H    PHE  21           H        PHE  21   2.316   1.636   3.468
  124    HA   PHE  21           HA       PHE  21   3.235  -1.012   4.220
  125    HB2  PHE  21           1HB      PHE  21   1.595  -1.538   2.498
  126    HB3  PHE  21           2HB      PHE  21   2.334  -0.374   1.403
  127    HD1  PHE  21           1HD      PHE  21   2.839  -3.596   3.127
  128    HD2  PHE  21           2HD      PHE  21   4.210  -0.946   0.092
  129    HE1  PHE  21           1HE      PHE  21   4.314  -5.362   2.255
  130    HE2  PHE  21           2HE      PHE  21   5.686  -2.708  -0.785
  131    HZ   PHE  21           HZ       PHE  21   5.739  -4.920   0.296
  132    H    CYS  22           H        CYS  22   5.359  -0.874   4.429
  133    HA   CYS  22           HA       CYS  22   6.813   1.289   3.149
  134    HB2  CYS  22           1HB      CYS  22   7.126   0.611   5.574
  135    HB3  CYS  22           2HB      CYS  22   7.928  -0.838   4.979
  136    H    TYR  23           H        TYR  23   7.308   0.926   1.072
  137    HA   TYR  23           HA       TYR  23   7.589  -1.447  -0.263
  138    HB2  TYR  23           1HB      TYR  23   8.629   1.301  -0.693
  139    HB3  TYR  23           2HB      TYR  23   9.374   0.016  -1.637
  140    HD1  TYR  23           1HD      TYR  23   7.983  -1.336  -3.192
  141    HD2  TYR  23           2HD      TYR  23   6.429   2.074  -1.178
  142    HE1  TYR  23           1HE      TYR  23   6.113  -1.253  -4.787
  143    HE2  TYR  23           2HE      TYR  23   4.554   2.166  -2.767
  144    HH   TYR  23           HH       TYR  23   3.375   0.783  -4.305
  145    H    GLU  24           H        GLU  24  10.116   0.349   1.458
  146    HA   GLU  24           HA       GLU  24  12.277  -1.300   0.791
  147    HB2  GLU  24           1HB      GLU  24  12.182   1.003   2.032
  148    HB3  GLU  24           2HB      GLU  24  12.093   0.009   3.479
  149    HG2  GLU  24           1HG      GLU  24  14.386   0.806   2.782
  150    HG3  GLU  24           2HG      GLU  24  14.212  -0.917   3.112
  151    H    ASP  25           H        ASP  25  10.320  -1.311   3.773
  152    HA   ASP  25           HA       ASP  25  11.445  -3.811   4.636
  153    HB2  ASP  25           1HB      ASP  25   9.044  -2.329   5.727
  154    HB3  ASP  25           2HB      ASP  25   9.936  -3.616   6.534
  155    H    GLN  26           H        GLN  26   9.428  -3.208   2.207
  156    HA   GLN  26           HA       GLN  26   7.582  -4.238   1.268
  157    HB2  GLN  26           1HB      GLN  26   9.640  -6.327   1.872
  158    HB3  GLN  26           2HB      GLN  26   8.117  -6.802   1.133
  159    HG2  GLN  26           1HG      GLN  26   9.860  -4.647  -0.016
  160    HG3  GLN  26           2HG      GLN  26  10.057  -6.350  -0.424
  161   HE21  GLN  26          1HE2      GLN  26   8.556  -3.508  -1.252
  162   HE22  GLN  26          2HE2      GLN  26   7.323  -4.139  -2.283
  163    H    GLU  27           H        GLU  27   6.943  -3.633   3.891
  164    HA   GLU  27           HA       GLU  27   5.126  -5.836   4.513
  165    HB2  GLU  27           1HB      GLU  27   5.650  -5.856   6.844
  166    HB3  GLU  27           2HB      GLU  27   7.160  -6.046   5.965
  167    HG2  GLU  27           1HG      GLU  27   7.687  -3.703   6.321
  168    HG3  GLU  27           2HG      GLU  27   6.153  -3.473   7.158
  169    H    ALA  28           H        ALA  28   3.431  -5.151   6.103
  170    HA   ALA  28           HA       ALA  28   2.545  -2.455   5.420
  171    HB1  ALA  28           1HB      ALA  28   1.117  -4.813   6.629
  172    HB2  ALA  28           2HB      ALA  28   0.378  -3.225   6.426
  173    HB3  ALA  28           3HB      ALA  28   0.913  -4.134   5.013
  174    H    VAL  29           H        VAL  29   2.362  -0.821   6.845
  175    HA   VAL  29           HA       VAL  29   2.824  -1.408   9.694
  176    HB   VAL  29           HB       VAL  29   4.110   0.683   9.887
  177   HG11  VAL  29          1HG1      VAL  29   4.996  -1.733   9.037
  178   HG12  VAL  29          2HG1      VAL  29   5.615  -0.680   7.764
  179   HG13  VAL  29          3HG1      VAL  29   6.045  -0.376   9.448
  180   HG21  VAL  29          1HG2      VAL  29   4.812   1.052   7.140
  181   HG22  VAL  29          2HG2      VAL  29   3.062   1.181   7.319
  182   HG23  VAL  29          3HG2      VAL  29   4.125   2.213   8.276
  183    H    CYS  30           H        CYS  30   2.223   0.539  11.086
  184    HA   CYS  30           HA       CYS  30  -0.414   1.460  10.218
  185    HB2  CYS  30           1HB      CYS  30  -0.888   1.871  12.530
  186    HB3  CYS  30           2HB      CYS  30  -0.118   0.291  12.423
  187    H    LEU  31           H        LEU  31  -1.035   3.701  11.068
  188    HA   LEU  31           HA       LEU  31   0.361   5.657   9.733
  189    HB2  LEU  31           1HB      LEU  31  -1.162   6.214  12.261
  190    HB3  LEU  31           2HB      LEU  31  -0.968   7.254  10.852
  191    HG   LEU  31           HG       LEU  31  -2.622   4.734  11.002
  192   HD11  LEU  31          1HD1      LEU  31  -3.176   7.467  11.648
  193   HD12  LEU  31          2HD1      LEU  31  -4.231   6.058  11.756
  194   HD13  LEU  31          3HD1      LEU  31  -4.138   6.977  10.254
  195   HD21  LEU  31          1HD2      LEU  31  -1.388   5.504   8.785
  196   HD22  LEU  31          2HD2      LEU  31  -2.755   6.616   8.709
  197   HD23  LEU  31          3HD2      LEU  31  -3.036   4.875   8.767
  198    H    ILE  32           H        ILE  32   0.341   5.328  13.288
  199    HA   ILE  32           HA       ILE  32   2.263   7.107  13.978
  200    HB   ILE  32           HB       ILE  32   1.952   4.337  15.141
  201   HG12  ILE  32          1HG1      ILE  32   0.875   6.853  16.359
  202   HG13  ILE  32          2HG1      ILE  32  -0.012   6.081  15.049
  203   HG21  ILE  32          1HG2      ILE  32   3.164   5.032  17.019
  204   HG22  ILE  32          2HG2      ILE  32   4.102   5.620  15.647
  205   HG23  ILE  32          3HG2      ILE  32   3.078   6.731  16.556
  206   HD11  ILE  32          1HD1      ILE  32   0.053   5.418  17.820
  207   HD12  ILE  32          2HD1      ILE  32  -0.943   4.738  16.533
  208   HD13  ILE  32          3HD1      ILE  32   0.645   4.051  16.876
  209    H    CYS  33           H        CYS  33   2.921   3.708  13.121
  210    HA   CYS  33           HA       CYS  33   5.653   3.679  13.316
  211    HB2  CYS  33           1HB      CYS  33   3.694   2.239  11.597
  212    HB3  CYS  33           2HB      CYS  33   5.397   2.110  11.169
  213    H    ALA  34           H        ALA  34   3.769   4.606  10.440
  214    HA   ALA  34           HA       ALA  34   5.621   5.130   8.578
  215    HB1  ALA  34           1HB      ALA  34   3.850   7.435   8.888
  216    HB2  ALA  34           2HB      ALA  34   4.023   6.307   7.543
  217    HB3  ALA  34           3HB      ALA  34   3.017   5.881   8.927
  218    H    ILE  35           H        ILE  35   4.791   7.461  11.148
  219    HA   ILE  35           HA       ILE  35   6.401   9.546  10.653
  220    HB   ILE  35           HB       ILE  35   6.152   8.211  13.351
  221   HG12  ILE  35          1HG1      ILE  35   4.576  10.538  12.246
  222   HG13  ILE  35          2HG1      ILE  35   4.021   8.871  12.144
  223   HG21  ILE  35          1HG2      ILE  35   6.554  11.128  13.111
  224   HG22  ILE  35          2HG2      ILE  35   7.132   9.999  14.334
  225   HG23  ILE  35          3HG2      ILE  35   7.951  10.105  12.777
  226   HD11  ILE  35          1HD1      ILE  35   4.150   8.753  14.625
  227   HD12  ILE  35          2HD1      ILE  35   4.508  10.480  14.634
  228   HD13  ILE  35          3HD1      ILE  35   2.964   9.903  14.008
  229    H    SER  36           H        SER  36   7.505   6.520  12.156
  230    HA   SER  36           HA       SER  36  10.208   7.306  12.423
  231    HB2  SER  36           1HB      SER  36   8.926   4.569  12.303
  232    HB3  SER  36           2HB      SER  36  10.630   4.837  12.671
  233    HG   SER  36           HG       SER  36   9.925   6.129  14.455
  234    H    HIS  37           H        HIS  37   8.672   5.110  10.067
  235    HA   HIS  37           HA       HIS  37  10.870   4.654   8.452
  236    HB2  HIS  37           1HB      HIS  37   7.963   4.869   7.641
  237    HB3  HIS  37           2HB      HIS  37   9.235   4.164   6.648
  238    HD2  HIS  37           2HD      HIS  37   7.133   3.292   9.822
  239    HE1  HIS  37           1HE      HIS  37   9.313  -0.152   8.648
  240    HE2  HIS  37           2HE      HIS  37   7.485   0.748  10.128
  241    H    THR  38           H        THR  38   8.276   7.006   7.759
  242    HA   THR  38           HA       THR  38   9.356   8.280   5.603
  243    HB   THR  38           HB       THR  38   8.152  10.336   6.329
  244    HG1  THR  38           1HG      THR  38   7.451   8.809   8.630
  245   HG21  THR  38          1HG2      THR  38   6.698   9.010   5.161
  246   HG22  THR  38          2HG2      THR  38   5.887   9.009   6.728
  247   HG23  THR  38          3HG2      THR  38   6.896   7.641   6.255
  248    H    HIS  39           H        HIS  39  10.314   8.590   8.948
  249    HA   HIS  39           HA       HIS  39  11.951  10.910   8.547
  250    HB2  HIS  39           1HB      HIS  39  11.076  10.540  10.748
  251    HB3  HIS  39           2HB      HIS  39  11.755   8.916  10.807
  252    HD1  HIS  39           1HD      HIS  39  13.391   9.100  12.680
  253    HD2  HIS  39           2HD      HIS  39  13.762  12.211   9.951
  254    HE1  HIS  39           1HE      HIS  39  15.442  10.373  13.386
  255    H    ARG  40           H        ARG  40  12.462   7.430   8.589
  256    HA   ARG  40           HA       ARG  40  15.333   7.695   8.346
  257    HB2  ARG  40           1HB      ARG  40  13.419   5.392   8.483
  258    HB3  ARG  40           2HB      ARG  40  15.065   5.129   7.923
  259    HG2  ARG  40           1HG      ARG  40  15.728   6.362  10.111
  260    HG3  ARG  40           2HG      ARG  40  14.093   5.941  10.624
  261    HD2  ARG  40           1HD      ARG  40  15.911   3.864   9.465
  262    HD3  ARG  40           2HD      ARG  40  16.048   4.328  11.161
  263    HE   ARG  40           HE       ARG  40  13.930   2.796   9.939
  264   HH11  ARG  40          2HH1      ARG  40  14.896   4.747  12.655
  265   HH12  ARG  40          1HH1      ARG  40  13.707   4.080  13.724
  266   HH21  ARG  40          2HH2      ARG  40  12.360   1.910  11.336
  267   HH22  ARG  40          1HH2      ARG  40  12.266   2.465  12.973
  268    H    ALA  41           H        ALA  41  13.321   8.681   6.268
  269    HA   ALA  41           HA       ALA  41  13.214   8.890   4.004
  270    HB1  ALA  41           1HB      ALA  41  15.808   7.491   3.627
  271    HB2  ALA  41           2HB      ALA  41  15.203   8.975   2.889
  272    HB3  ALA  41           3HB      ALA  41  15.798   8.994   4.549
  273    H    HIS  42           H        HIS  42  11.961   6.634   5.111
  274    HA   HIS  42           HA       HIS  42  12.505   4.484   3.192
  275    HB2  HIS  42           1HB      HIS  42  11.274   4.607   5.894
  276    HB3  HIS  42           2HB      HIS  42  10.635   3.402   4.780
  277    HD2  HIS  42           2HD      HIS  42  14.356   3.777   4.204
  278    HE1  HIS  42           1HE      HIS  42  13.895   0.569   6.942
  279    HE2  HIS  42           2HE      HIS  42  15.502   1.837   5.475
  280    H    THR  43           H        THR  43  11.054   3.858   1.675
  281    HA   THR  43           HA       THR  43   8.934   5.690   1.029
  282    HB   THR  43           HB       THR  43   9.624   3.062  -0.299
  283    HG1  THR  43           1HG      THR  43  10.359   5.637  -1.223
  284   HG21  THR  43          1HG2      THR  43   8.315   5.379  -1.658
  285   HG22  THR  43          2HG2      THR  43   7.339   4.293  -0.669
  286   HG23  THR  43          3HG2      THR  43   8.240   3.660  -2.046
  287    H    VAL  44           H        VAL  44   6.924   5.579   1.761
  288    HA   VAL  44           HA       VAL  44   5.732   2.955   2.299
  289    HB   VAL  44           HB       VAL  44   5.476   5.278   4.212
  290   HG11  VAL  44          1HG1      VAL  44   4.314   3.736   5.641
  291   HG12  VAL  44          2HG1      VAL  44   3.541   3.724   4.054
  292   HG13  VAL  44          3HG1      VAL  44   4.616   2.406   4.523
  293   HG21  VAL  44          1HG2      VAL  44   7.500   4.666   4.939
  294   HG22  VAL  44          2HG2      VAL  44   6.697   3.233   5.580
  295   HG23  VAL  44          3HG2      VAL  44   7.483   3.172   4.003
  296    H    VAL  45           H        VAL  45   3.750   2.766   1.472
  297    HA   VAL  45           HA       VAL  45   2.207   5.211   0.922
  298    HB   VAL  45           HB       VAL  45   1.491   4.367  -1.216
  299   HG11  VAL  45          1HG1      VAL  45   4.485   4.230  -0.887
  300   HG12  VAL  45          2HG1      VAL  45   3.651   4.353  -2.437
  301   HG13  VAL  45          3HG1      VAL  45   3.520   5.659  -1.259
  302   HG21  VAL  45          1HG2      VAL  45   3.107   1.932  -0.496
  303   HG22  VAL  45          2HG2      VAL  45   1.384   2.023  -0.858
  304   HG23  VAL  45          3HG2      VAL  45   2.568   2.281  -2.139
  305    HA   PRO  46           HA       PRO  46  -1.141   3.138   2.879
  306    HB2  PRO  46           1HB      PRO  46  -3.231   4.390   1.681
  307    HB3  PRO  46           2HB      PRO  46  -2.208   5.172   2.893
  308    HG2  PRO  46           1HG      PRO  46  -2.114   5.389  -0.092
  309    HG3  PRO  46           2HG      PRO  46  -1.963   6.667   1.129
  310    HD2  PRO  46           1HD      PRO  46   0.181   5.591  -0.126
  311    HD3  PRO  46           2HD      PRO  46   0.251   6.181   1.547
  312    H    LEU  47           H        LEU  47  -1.758   1.113   2.489
  313    HA   LEU  47           HA       LEU  47  -2.361   0.289  -0.253
  314    HB2  LEU  47           1HB      LEU  47  -1.418  -1.063   2.197
  315    HB3  LEU  47           2HB      LEU  47  -2.488  -1.999   1.155
  316    HG   LEU  47           HG       LEU  47  -0.950  -1.883  -0.661
  317   HD11  LEU  47          1HD1      LEU  47  -0.118   0.298  -0.636
  318   HD12  LEU  47          2HD1      LEU  47   1.286  -0.701  -0.261
  319   HD13  LEU  47          3HD1      LEU  47   0.449   0.163   1.029
  320   HD21  LEU  47          1HD2      LEU  47   1.244  -2.566   0.773
  321   HD22  LEU  47          2HD2      LEU  47  -0.115  -3.645   0.457
  322   HD23  LEU  47          3HD2      LEU  47  -0.022  -2.766   1.984
  323    H    SER  48           H        SER  48  -3.691  -0.361   2.996
  324    HA   SER  48           HA       SER  48  -6.060  -1.502   2.413
  325    HB2  SER  48           1HB      SER  48  -5.291  -0.949   4.708
  326    HB3  SER  48           2HB      SER  48  -5.736   0.735   4.429
  327    HG   SER  48           HG       SER  48  -7.689  -1.185   3.942
  328    H    GLY  49           H        GLY  49  -5.204   1.835   1.841
  329    HA2  GLY  49           1HA      GLY  49  -7.926   2.335   0.816
  330    HA3  GLY  49           2HA      GLY  49  -6.828   3.586   1.380
  331    HA   PRO  50           HA       PRO  50  -6.534   2.744  -3.318
  332    HB2  PRO  50           1HB      PRO  50  -8.077   4.786  -4.224
  333    HB3  PRO  50           2HB      PRO  50  -8.716   3.170  -3.898
  334    HG2  PRO  50           1HG      PRO  50  -8.826   5.630  -2.195
  335    HG3  PRO  50           2HG      PRO  50 -10.097   4.438  -2.522
  336    HD2  PRO  50           1HD      PRO  50  -8.645   4.430  -0.237
  337    HD3  PRO  50           2HD      PRO  50  -9.265   2.941  -0.979
  338    H    SER  51           H        SER  51  -4.828   3.660  -4.284
  339    HA   SER  51           HA       SER  51  -4.302   6.484  -4.117
  340    HB2  SER  51           1HB      SER  51  -2.203   6.393  -2.969
  341    HB3  SER  51           2HB      SER  51  -3.372   5.541  -1.960
  342    HG   SER  51           HG       SER  51  -1.661   4.198  -2.046
  343    H    SER  52           H        SER  52  -2.373   7.098  -5.387
  344    HA   SER  52           HA       SER  52  -1.268   5.106  -7.168
  345    HB2  SER  52           1HB      SER  52  -3.116   7.276  -8.174
  346    HB3  SER  52           2HB      SER  52  -1.996   6.399  -9.216
  347    HG   SER  52           HG       SER  52  -3.548   4.994  -9.351
  348    H    GLY  53           H        GLY  53   0.528   5.872  -8.384
  349    HA2  GLY  53           1HA      GLY  53   1.926   8.024  -7.060
  350    HA3  GLY  53           2HA      GLY  53   2.561   6.989  -8.331
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -8.070 -19.923  16.824
    2    HA2  GLY   1           1HA      GLY   1  -9.334 -18.387  18.607
    3    HA3  GLY   1           2HA      GLY   1  -7.657 -18.037  19.000
    4    H    SER   2           H        SER   2 -10.203 -16.854  17.396
    5    HA   SER   2           HA       SER   2  -8.501 -15.248  15.653
    6    HB2  SER   2           1HB      SER   2  -9.716 -15.640  13.674
    7    HB3  SER   2           2HB      SER   2  -9.516 -17.246  14.375
    8    HG   SER   2           HG       SER   2 -11.724 -16.411  13.616
    9    H    SER   3           H        SER   3  -9.086 -13.158  15.610
   10    HA   SER   3           HA       SER   3 -11.183 -12.271  17.341
   11    HB2  SER   3           1HB      SER   3 -10.486  -9.995  16.609
   12    HB3  SER   3           2HB      SER   3  -9.134 -10.976  17.174
   13    HG   SER   3           HG       SER   3  -8.738  -9.834  15.179
   14    H    GLY   4           H        GLY   4 -12.820 -10.648  16.629
   15    HA2  GLY   4           1HA      GLY   4 -14.571 -11.725  14.755
   16    HA3  GLY   4           2HA      GLY   4 -14.640 -10.074  15.353
   17    H    SER   5           H        SER   5 -15.491 -10.250  12.912
   18    HA   SER   5           HA       SER   5 -13.653 -10.313  10.808
   19    HB2  SER   5           1HB      SER   5 -16.277  -8.826  11.058
   20    HB3  SER   5           2HB      SER   5 -15.379  -8.997   9.551
   21    HG   SER   5           HG       SER   5 -15.853 -11.345  10.930
   22    H    SER   6           H        SER   6 -15.019  -7.467  12.468
   23    HA   SER   6           HA       SER   6 -13.839  -5.393  11.268
   24    HB2  SER   6           1HB      SER   6 -15.211  -5.245  13.344
   25    HB3  SER   6           2HB      SER   6 -13.798  -5.743  14.275
   26    HG   SER   6           HG       SER   6 -12.798  -3.832  13.081
   27    H    GLY   7           H        GLY   7 -11.873  -4.222  11.417
   28    HA2  GLY   7           1HA      GLY   7  -9.590  -3.981  11.517
   29    HA3  GLY   7           2HA      GLY   7  -9.605  -5.139  12.838
   30    H    GLU   8           H        GLU   8  -9.481  -4.789   9.338
   31    HA   GLU   8           HA       GLU   8  -9.143  -7.518   8.718
   32    HB2  GLU   8           1HB      GLU   8  -8.586  -4.947   7.297
   33    HB3  GLU   8           2HB      GLU   8  -7.938  -6.442   6.637
   34    HG2  GLU   8           1HG      GLU   8 -10.843  -6.129   7.311
   35    HG3  GLU   8           2HG      GLU   8 -10.180  -5.641   5.752
   36    H    SER   9           H        SER   9  -6.999  -5.146  10.000
   37    HA   SER   9           HA       SER   9  -4.978  -7.050  10.550
   38    HB2  SER   9           1HB      SER   9  -3.197  -6.255   9.116
   39    HB3  SER   9           2HB      SER   9  -4.568  -6.715   8.107
   40    HG   SER   9           HG       SER   9  -4.959  -4.642   7.656
   41    H    LEU  10           H        LEU  10  -3.676  -6.342  12.162
   42    HA   LEU  10           HA       LEU  10  -3.661  -3.465  12.762
   43    HB2  LEU  10           1HB      LEU  10  -4.107  -5.707  14.726
   44    HB3  LEU  10           2HB      LEU  10  -3.833  -4.023  15.168
   45    HG   LEU  10           HG       LEU  10  -6.126  -4.720  13.384
   46   HD11  LEU  10          1HD1      LEU  10  -6.455  -6.287  15.134
   47   HD12  LEU  10          2HD1      LEU  10  -7.516  -4.918  15.466
   48   HD13  LEU  10          3HD1      LEU  10  -6.011  -5.105  16.366
   49   HD21  LEU  10          1HD2      LEU  10  -6.870  -2.654  13.893
   50   HD22  LEU  10          2HD2      LEU  10  -5.172  -2.364  14.276
   51   HD23  LEU  10          3HD2      LEU  10  -6.315  -2.747  15.565
   52    H    CYS  11           H        CYS  11  -1.782  -2.658  13.647
   53    HA   CYS  11           HA       CYS  11   0.627  -3.861  12.996
   54    HB2  CYS  11           1HB      CYS  11   0.000  -1.399  13.751
   55    HB3  CYS  11           2HB      CYS  11   0.542  -1.987  15.319
   56    HA   PRO  12           HA       PRO  12   1.149  -6.945  16.115
   57    HB2  PRO  12           1HB      PRO  12   3.793  -7.415  15.719
   58    HB3  PRO  12           2HB      PRO  12   2.538  -7.994  14.616
   59    HG2  PRO  12           1HG      PRO  12   4.310  -5.592  14.378
   60    HG3  PRO  12           2HG      PRO  12   3.847  -6.769  13.135
   61    HD2  PRO  12           1HD      PRO  12   2.675  -4.337  13.346
   62    HD3  PRO  12           2HD      PRO  12   1.801  -5.772  12.773
   63    H    GLN  13           H        GLN  13   2.279  -3.828  16.260
   64    HA   GLN  13           HA       GLN  13   3.368  -4.265  18.957
   65    HB2  GLN  13           1HB      GLN  13   5.195  -3.751  17.373
   66    HB3  GLN  13           2HB      GLN  13   4.386  -2.249  16.947
   67    HG2  GLN  13           1HG      GLN  13   5.910  -1.494  18.464
   68    HG3  GLN  13           2HG      GLN  13   4.528  -1.793  19.516
   69   HE21  GLN  13          1HE2      GLN  13   7.732  -2.106  19.353
   70   HE22  GLN  13          2HE2      GLN  13   7.969  -3.496  20.352
   71    H    HIS  14           H        HIS  14   1.826  -2.002  16.718
   72    HA   HIS  14           HA       HIS  14   0.944  -0.348  18.963
   73    HB2  HIS  14           1HB      HIS  14   0.650   0.087  15.983
   74    HB3  HIS  14           2HB      HIS  14   0.188   1.235  17.236
   75    HD2  HIS  14           2HD      HIS  14   2.466   2.271  18.724
   76    HE1  HIS  14           1HE      HIS  14   5.178   1.393  15.582
   77    HE2  HIS  14           2HE      HIS  14   4.855   2.579  17.780
   78    H    HIS  15           H        HIS  15  -0.174  -2.836  16.925
   79    HA   HIS  15           HA       HIS  15  -2.204  -3.812  16.581
   80    HB2  HIS  15           1HB      HIS  15  -2.617  -2.624  19.328
   81    HB3  HIS  15           2HB      HIS  15  -3.768  -3.717  18.566
   82    HD1  HIS  15           1HD      HIS  15  -3.433  -5.574  20.292
   83    HD2  HIS  15           2HD      HIS  15   0.066  -4.455  18.352
   84    HE1  HIS  15           1HE      HIS  15  -1.740  -7.334  20.892
   85    H    GLU  16           H        GLU  16  -1.958  -1.413  15.260
   86    HA   GLU  16           HA       GLU  16  -4.694  -0.337  15.439
   87    HB2  GLU  16           1HB      GLU  16  -2.082   1.087  15.158
   88    HB3  GLU  16           2HB      GLU  16  -3.504   1.766  14.379
   89    HG2  GLU  16           1HG      GLU  16  -3.246   1.138  17.311
   90    HG3  GLU  16           2HG      GLU  16  -3.112   2.738  16.583
   91    H    ALA  17           H        ALA  17  -5.757   0.080  13.515
   92    HA   ALA  17           HA       ALA  17  -5.594  -1.551  11.407
   93    HB1  ALA  17           1HB      ALA  17  -6.672   0.162  10.023
   94    HB2  ALA  17           2HB      ALA  17  -7.360   0.102  11.646
   95    HB3  ALA  17           3HB      ALA  17  -6.236   1.390  11.213
   96    H    LEU  18           H        LEU  18  -4.138  -2.077   9.922
   97    HA   LEU  18           HA       LEU  18  -1.785  -0.423   9.558
   98    HB2  LEU  18           1HB      LEU  18  -2.542  -3.107   8.416
   99    HB3  LEU  18           2HB      LEU  18  -0.995  -2.304   8.153
  100    HG   LEU  18           HG       LEU  18  -2.038  -3.213  10.836
  101   HD11  LEU  18          1HD1      LEU  18  -0.693  -5.099  10.680
  102   HD12  LEU  18          2HD1      LEU  18   0.244  -4.443   9.338
  103   HD13  LEU  18          3HD1      LEU  18  -1.414  -4.985   9.074
  104   HD21  LEU  18          1HD2      LEU  18   0.191  -1.539   9.989
  105   HD22  LEU  18          2HD2      LEU  18   0.690  -2.909  10.981
  106   HD23  LEU  18          3HD2      LEU  18  -0.511  -1.769  11.591
  107    H    SER  19           H        SER  19  -2.787   1.365   8.492
  108    HA   SER  19           HA       SER  19  -3.811   0.853   5.797
  109    HB2  SER  19           1HB      SER  19  -3.895   3.262   7.609
  110    HB3  SER  19           2HB      SER  19  -4.325   3.365   5.902
  111    HG   SER  19           HG       SER  19  -6.023   2.870   7.612
  112    H    LEU  20           H        LEU  20  -1.042   0.448   6.269
  113    HA   LEU  20           HA       LEU  20   0.026   2.187   4.232
  114    HB2  LEU  20           1HB      LEU  20   1.019   2.264   7.064
  115    HB3  LEU  20           2HB      LEU  20   2.052   2.704   5.705
  116    HG   LEU  20           HG       LEU  20  -0.509   4.079   6.516
  117   HD11  LEU  20          1HD1      LEU  20   1.151   5.992   6.853
  118   HD12  LEU  20          2HD1      LEU  20   2.397   4.744   6.851
  119   HD13  LEU  20          3HD1      LEU  20   1.120   4.713   8.067
  120   HD21  LEU  20          1HD2      LEU  20   0.680   5.751   4.778
  121   HD22  LEU  20          2HD2      LEU  20  -0.550   4.575   4.315
  122   HD23  LEU  20          3HD2      LEU  20   1.158   4.200   4.086
  123    H    PHE  21           H        PHE  21   2.180   1.504   3.517
  124    HA   PHE  21           HA       PHE  21   3.091  -1.098   4.434
  125    HB2  PHE  21           1HB      PHE  21   1.490  -1.810   2.805
  126    HB3  PHE  21           2HB      PHE  21   2.046  -0.608   1.644
  127    HD1  PHE  21           2HD      PHE  21   4.098  -0.939   0.396
  128    HD2  PHE  21           1HD      PHE  21   2.703  -3.858   3.162
  129    HE1  PHE  21           2HE      PHE  21   5.645  -2.590  -0.571
  130    HE2  PHE  21           1HE      PHE  21   4.248  -5.514   2.199
  131    HZ   PHE  21           HZ       PHE  21   5.721  -4.881   0.329
  132    H    CYS  22           H        CYS  22   5.169  -0.694   4.798
  133    HA   CYS  22           HA       CYS  22   6.641   1.293   3.359
  134    HB2  CYS  22           1HB      CYS  22   7.061   0.758   5.747
  135    HB3  CYS  22           2HB      CYS  22   7.658  -0.826   5.264
  136    H    TYR  23           H        TYR  23   7.152   0.934   1.293
  137    HA   TYR  23           HA       TYR  23   7.370  -1.464  -0.032
  138    HB2  TYR  23           1HB      TYR  23   8.402   1.278  -0.511
  139    HB3  TYR  23           2HB      TYR  23   9.130  -0.017  -1.456
  140    HD1  TYR  23           1HD      TYR  23   7.540  -1.550  -2.770
  141    HD2  TYR  23           2HD      TYR  23   6.363   2.210  -1.163
  142    HE1  TYR  23           1HE      TYR  23   5.640  -1.485  -4.330
  143    HE2  TYR  23           2HE      TYR  23   4.459   2.285  -2.718
  144    HH   TYR  23           HH       TYR  23   3.294   1.176  -4.258
  145    H    GLU  24           H        GLU  24  10.165   0.479   1.046
  146    HA   GLU  24           HA       GLU  24  12.199  -1.241   0.525
  147    HB2  GLU  24           1HB      GLU  24  11.815   0.571   2.905
  148    HB3  GLU  24           2HB      GLU  24  13.317  -0.293   2.606
  149    HG2  GLU  24           1HG      GLU  24  12.038   1.796   0.864
  150    HG3  GLU  24           2HG      GLU  24  13.541   1.930   1.775
  151    H    ASP  25           H        ASP  25  10.592  -1.116   3.709
  152    HA   ASP  25           HA       ASP  25  11.740  -3.504   4.660
  153    HB2  ASP  25           1HB      ASP  25   9.116  -2.295   5.550
  154    HB3  ASP  25           2HB      ASP  25  10.171  -3.354   6.483
  155    H    GLN  26           H        GLN  26   9.285  -2.980   2.388
  156    HA   GLN  26           HA       GLN  26   7.772  -4.322   1.341
  157    HB2  GLN  26           1HB      GLN  26  10.000  -6.183   2.075
  158    HB3  GLN  26           2HB      GLN  26   8.545  -6.828   1.326
  159    HG2  GLN  26           1HG      GLN  26  10.277  -4.659   0.161
  160    HG3  GLN  26           2HG      GLN  26  10.327  -6.362  -0.294
  161   HE21  GLN  26          1HE2      GLN  26   9.212  -3.456  -1.216
  162   HE22  GLN  26          2HE2      GLN  26   7.838  -3.934  -2.148
  163    H    GLU  27           H        GLU  27   7.013  -3.670   3.917
  164    HA   GLU  27           HA       GLU  27   5.339  -5.963   4.567
  165    HB2  GLU  27           1HB      GLU  27   5.901  -6.065   6.856
  166    HB3  GLU  27           2HB      GLU  27   7.438  -6.028   6.004
  167    HG2  GLU  27           1HG      GLU  27   7.467  -3.539   6.424
  168    HG3  GLU  27           2HG      GLU  27   6.108  -3.802   7.515
  169    H    ALA  28           H        ALA  28   3.564  -5.386   6.047
  170    HA   ALA  28           HA       ALA  28   2.511  -2.785   5.359
  171    HB1  ALA  28           1HB      ALA  28   1.328  -5.063   6.940
  172    HB2  ALA  28           2HB      ALA  28   0.470  -3.581   6.513
  173    HB3  ALA  28           3HB      ALA  28   1.025  -4.676   5.246
  174    H    VAL  29           H        VAL  29   2.122  -1.090   6.718
  175    HA   VAL  29           HA       VAL  29   2.880  -1.380   9.541
  176    HB   VAL  29           HB       VAL  29   4.050   0.787   9.478
  177   HG11  VAL  29          1HG1      VAL  29   5.992  -0.247   9.072
  178   HG12  VAL  29          2HG1      VAL  29   5.006  -1.664   8.705
  179   HG13  VAL  29          3HG1      VAL  29   5.555  -0.608   7.403
  180   HG21  VAL  29          1HG2      VAL  29   4.210   2.113   7.658
  181   HG22  VAL  29          2HG2      VAL  29   4.327   0.751   6.543
  182   HG23  VAL  29          3HG2      VAL  29   2.753   1.253   7.160
  183    H    CYS  30           H        CYS  30   2.254   0.658  10.793
  184    HA   CYS  30           HA       CYS  30  -0.439   1.451   9.924
  185    HB2  CYS  30           1HB      CYS  30  -0.993   1.777  12.218
  186    HB3  CYS  30           2HB      CYS  30  -0.130   0.245  12.127
  187    H    LEU  31           H        LEU  31  -1.053   3.667  11.062
  188    HA   LEU  31           HA       LEU  31   0.298   5.684   9.705
  189    HB2  LEU  31           1HB      LEU  31  -1.231   6.150  12.245
  190    HB3  LEU  31           2HB      LEU  31  -1.061   7.223  10.858
  191    HG   LEU  31           HG       LEU  31  -2.665   4.669  10.948
  192   HD11  LEU  31          1HD1      LEU  31  -3.706   7.456  10.570
  193   HD12  LEU  31          2HD1      LEU  31  -3.509   6.750  12.174
  194   HD13  LEU  31          3HD1      LEU  31  -4.588   5.991  11.004
  195   HD21  LEU  31          1HD2      LEU  31  -3.109   4.881   8.723
  196   HD22  LEU  31          2HD2      LEU  31  -1.470   5.533   8.748
  197   HD23  LEU  31          3HD2      LEU  31  -2.854   6.626   8.723
  198    H    ILE  32           H        ILE  32   0.255   5.279  13.250
  199    HA   ILE  32           HA       ILE  32   2.182   7.047  13.973
  200    HB   ILE  32           HB       ILE  32   1.784   4.280  15.115
  201   HG12  ILE  32          1HG1      ILE  32   0.707   5.951  16.919
  202   HG13  ILE  32          2HG1      ILE  32   0.452   6.913  15.468
  203   HG21  ILE  32          1HG2      ILE  32   3.387   4.657  16.611
  204   HG22  ILE  32          2HG2      ILE  32   3.893   6.015  15.607
  205   HG23  ILE  32          3HG2      ILE  32   2.782   6.278  16.951
  206   HD11  ILE  32          1HD1      ILE  32  -0.348   4.057  15.411
  207   HD12  ILE  32          2HD1      ILE  32  -1.343   5.196  16.320
  208   HD13  ILE  32          3HD1      ILE  32  -1.058   5.451  14.598
  209    H    CYS  33           H        CYS  33   2.728   3.756  12.776
  210    HA   CYS  33           HA       CYS  33   5.488   3.628  13.113
  211    HB2  CYS  33           1HB      CYS  33   3.547   2.312  11.260
  212    HB3  CYS  33           2HB      CYS  33   5.270   2.116  10.955
  213    H    ALA  34           H        ALA  34   3.690   4.582  10.183
  214    HA   ALA  34           HA       ALA  34   5.593   5.180   8.409
  215    HB1  ALA  34           1HB      ALA  34   3.741   7.437   8.751
  216    HB2  ALA  34           2HB      ALA  34   4.050   6.421   7.343
  217    HB3  ALA  34           3HB      ALA  34   2.981   5.850   8.624
  218    H    ILE  35           H        ILE  35   4.637   7.468  10.975
  219    HA   ILE  35           HA       ILE  35   6.207   9.587  10.602
  220    HB   ILE  35           HB       ILE  35   5.941   8.127  13.232
  221   HG12  ILE  35          1HG1      ILE  35   4.420  10.559  12.306
  222   HG13  ILE  35          2HG1      ILE  35   3.855   8.927  11.964
  223   HG21  ILE  35          1HG2      ILE  35   7.024  10.838  12.550
  224   HG22  ILE  35          2HG2      ILE  35   6.326  10.501  14.134
  225   HG23  ILE  35          3HG2      ILE  35   7.727   9.587  13.575
  226   HD11  ILE  35          1HD1      ILE  35   2.708   9.374  13.879
  227   HD12  ILE  35          2HD1      ILE  35   4.160   8.636  14.555
  228   HD13  ILE  35          3HD1      ILE  35   3.988  10.391  14.541
  229    H    SER  36           H        SER  36   7.401   6.596  12.124
  230    HA   SER  36           HA       SER  36  10.076   7.442  12.369
  231    HB2  SER  36           1HB      SER  36   9.174   5.542  13.636
  232    HB3  SER  36           2HB      SER  36   8.978   4.628  12.140
  233    HG   SER  36           HG       SER  36  11.408   5.220  11.992
  234    H    HIS  37           H        HIS  37   8.753   5.049  10.075
  235    HA   HIS  37           HA       HIS  37  10.880   4.674   8.441
  236    HB2  HIS  37           1HB      HIS  37   8.038   5.053   7.477
  237    HB3  HIS  37           2HB      HIS  37   9.317   4.192   6.625
  238    HD2  HIS  37           2HD      HIS  37   6.776   3.624   9.499
  239    HE1  HIS  37           1HE      HIS  37   8.953   0.027   8.931
  240    HE2  HIS  37           2HE      HIS  37   6.952   1.097  10.024
  241    H    THR  38           H        THR  38   8.411   7.179   7.835
  242    HA   THR  38           HA       THR  38   9.457   8.462   5.694
  243    HB   THR  38           HB       THR  38   8.535  10.601   6.624
  244    HG1  THR  38           1HG      THR  38   7.681  10.610   8.660
  245   HG21  THR  38          1HG2      THR  38   6.763   8.166   6.861
  246   HG22  THR  38          2HG2      THR  38   7.106   9.062   5.381
  247   HG23  THR  38          3HG2      THR  38   6.203   9.829   6.687
  248    H    HIS  39           H        HIS  39  10.492   8.884   9.056
  249    HA   HIS  39           HA       HIS  39  12.380  10.928   8.537
  250    HB2  HIS  39           1HB      HIS  39  11.635  10.678  10.780
  251    HB3  HIS  39           2HB      HIS  39  12.058   8.969  10.808
  252    HD1  HIS  39           1HD      HIS  39  13.681   9.077  12.747
  253    HD2  HIS  39           2HD      HIS  39  14.616  11.733   9.692
  254    HE1  HIS  39           1HE      HIS  39  15.965   9.968  13.306
  255    H    ARG  40           H        ARG  40  12.672   7.405   8.816
  256    HA   ARG  40           HA       ARG  40  15.503   7.461   8.266
  257    HB2  ARG  40           1HB      ARG  40  13.496   5.241   8.621
  258    HB3  ARG  40           2HB      ARG  40  15.161   4.928   8.148
  259    HG2  ARG  40           1HG      ARG  40  15.090   4.621  10.472
  260    HG3  ARG  40           2HG      ARG  40  15.846   6.197  10.228
  261    HD2  ARG  40           1HD      ARG  40  14.021   7.346  11.018
  262    HD3  ARG  40           2HD      ARG  40  12.893   6.060  10.590
  263    HE   ARG  40           HE       ARG  40  13.178   5.203  12.681
  264   HH11  ARG  40          2HH1      ARG  40  15.911   7.227  11.935
  265   HH12  ARG  40          1HH1      ARG  40  16.618   7.076  13.509
  266   HH21  ARG  40          2HH2      ARG  40  14.100   4.996  14.757
  267   HH22  ARG  40          1HH2      ARG  40  15.588   5.806  15.113
  268    H    ALA  41           H        ALA  41  14.080   8.740   6.244
  269    HA   ALA  41           HA       ALA  41  13.557   8.693   3.998
  270    HB1  ALA  41           1HB      ALA  41  15.562   7.718   2.695
  271    HB2  ALA  41           2HB      ALA  41  15.828   9.105   3.751
  272    HB3  ALA  41           3HB      ALA  41  16.282   7.488   4.289
  273    H    HIS  42           H        HIS  42  12.112   6.694   5.196
  274    HA   HIS  42           HA       HIS  42  12.454   4.342   3.473
  275    HB2  HIS  42           1HB      HIS  42  11.241   4.797   6.150
  276    HB3  HIS  42           2HB      HIS  42  10.512   3.557   5.135
  277    HD2  HIS  42           2HD      HIS  42  14.341   3.794   4.827
  278    HE1  HIS  42           1HE      HIS  42  13.463   0.515   7.372
  279    HE2  HIS  42           2HE      HIS  42  15.268   1.768   6.140
  280    H    THR  43           H        THR  43  10.907   3.694   2.048
  281    HA   THR  43           HA       THR  43   8.901   5.668   1.338
  282    HB   THR  43           HB       THR  43   9.332   3.031  -0.053
  283    HG1  THR  43           1HG      THR  43  10.621   5.103  -1.224
  284   HG21  THR  43          1HG2      THR  43   8.730   4.599  -2.025
  285   HG22  THR  43          2HG2      THR  43   8.130   5.684  -0.770
  286   HG23  THR  43          3HG2      THR  43   7.444   4.068  -0.941
  287    H    VAL  44           H        VAL  44   6.832   5.568   1.907
  288    HA   VAL  44           HA       VAL  44   5.615   2.969   2.491
  289    HB   VAL  44           HB       VAL  44   5.496   5.346   4.352
  290   HG11  VAL  44          1HG1      VAL  44   4.007   4.027   5.731
  291   HG12  VAL  44          2HG1      VAL  44   3.315   4.216   4.118
  292   HG13  VAL  44          3HG1      VAL  44   4.078   2.694   4.579
  293   HG21  VAL  44          1HG2      VAL  44   7.178   3.019   4.235
  294   HG22  VAL  44          2HG2      VAL  44   7.243   4.391   5.342
  295   HG23  VAL  44          3HG2      VAL  44   6.217   3.006   5.714
  296    H    VAL  45           H        VAL  45   3.452   2.828   2.016
  297    HA   VAL  45           HA       VAL  45   1.986   5.234   1.274
  298    HB   VAL  45           HB       VAL  45   1.347   4.438  -0.909
  299   HG11  VAL  45          1HG1      VAL  45   3.530   5.692  -0.554
  300   HG12  VAL  45          2HG1      VAL  45   4.335   4.139  -0.786
  301   HG13  VAL  45          3HG1      VAL  45   3.351   4.825  -2.079
  302   HG21  VAL  45          1HG2      VAL  45   2.649   2.401  -1.814
  303   HG22  VAL  45          2HG2      VAL  45   2.890   1.995  -0.115
  304   HG23  VAL  45          3HG2      VAL  45   1.257   2.117  -0.769
  305    HA   PRO  46           HA       PRO  46  -1.393   3.049   3.040
  306    HB2  PRO  46           1HB      PRO  46  -3.466   4.244   1.757
  307    HB3  PRO  46           2HB      PRO  46  -2.524   5.049   3.017
  308    HG2  PRO  46           1HG      PRO  46  -2.303   5.289   0.041
  309    HG3  PRO  46           2HG      PRO  46  -2.247   6.563   1.273
  310    HD2  PRO  46           1HD      PRO  46  -0.016   5.562   0.110
  311    HD3  PRO  46           2HD      PRO  46  -0.040   6.142   1.787
  312    H    LEU  47           H        LEU  47  -2.597   1.247   2.675
  313    HA   LEU  47           HA       LEU  47  -2.407   0.036   0.046
  314    HB2  LEU  47           1HB      LEU  47  -3.292  -0.927   2.744
  315    HB3  LEU  47           2HB      LEU  47  -3.593  -1.877   1.291
  316    HG   LEU  47           HG       LEU  47  -0.970  -1.520   0.995
  317   HD11  LEU  47          1HD1      LEU  47  -0.340  -2.033   3.615
  318   HD12  LEU  47          2HD1      LEU  47  -1.533  -0.742   3.745
  319   HD13  LEU  47          3HD1      LEU  47  -0.082  -0.505   2.771
  320   HD21  LEU  47          1HD2      LEU  47  -0.768  -3.686   2.425
  321   HD22  LEU  47          2HD2      LEU  47  -1.736  -3.696   0.951
  322   HD23  LEU  47          3HD2      LEU  47  -2.525  -3.563   2.523
  323    H    SER  48           H        SER  48  -5.099   0.251   2.377
  324    HA   SER  48           HA       SER  48  -7.184  -0.296   0.715
  325    HB2  SER  48           1HB      SER  48  -7.245   0.207   3.218
  326    HB3  SER  48           2HB      SER  48  -7.357   1.909   2.770
  327    HG   SER  48           HG       SER  48  -9.196  -0.175   2.310
  328    H    GLY  49           H        GLY  49  -5.216   2.542   0.716
  329    HA2  GLY  49           1HA      GLY  49  -5.122   3.889  -1.280
  330    HA3  GLY  49           2HA      GLY  49  -6.844   3.611  -1.495
  331    HA   PRO  50           HA       PRO  50  -6.569   7.828   0.227
  332    HB2  PRO  50           1HB      PRO  50  -8.806   8.710  -1.033
  333    HB3  PRO  50           2HB      PRO  50  -7.220   8.665  -1.811
  334    HG2  PRO  50           1HG      PRO  50  -9.492   6.727  -2.028
  335    HG3  PRO  50           2HG      PRO  50  -8.441   7.368  -3.305
  336    HD2  PRO  50           1HD      PRO  50  -8.085   4.912  -2.221
  337    HD3  PRO  50           2HD      PRO  50  -6.734   5.901  -2.811
  338    H    SER  51           H        SER  51  -7.057   6.962   2.323
  339    HA   SER  51           HA       SER  51  -9.929   6.757   2.929
  340    HB2  SER  51           1HB      SER  51  -9.272   5.520   4.940
  341    HB3  SER  51           2HB      SER  51  -8.592   4.762   3.500
  342    HG   SER  51           HG       SER  51  -7.239   6.497   5.296
  343    H    SER  52           H        SER  52  -6.897   8.244   3.951
  344    HA   SER  52           HA       SER  52  -8.204  10.589   4.877
  345    HB2  SER  52           1HB      SER  52  -7.844  10.435   7.233
  346    HB3  SER  52           2HB      SER  52  -8.665   8.949   6.757
  347    HG   SER  52           HG       SER  52  -6.866   7.821   7.095
  348    H    GLY  53           H        GLY  53  -6.585  12.053   6.060
  349    HA2  GLY  53           1HA      GLY  53  -4.046  12.127   6.432
  350    HA3  GLY  53           2HA      GLY  53  -3.980  11.719   4.724
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -8.600  -9.998  21.634
    2    HA2  GLY   1           1HA      GLY   1  -8.811 -12.380  20.070
    3    HA3  GLY   1           2HA      GLY   1 -10.147 -11.408  20.670
    4    H    SER   2           H        SER   2  -8.228 -12.223  17.969
    5    HA   SER   2           HA       SER   2  -9.811 -10.388  16.310
    6    HB2  SER   2           1HB      SER   2  -7.349  -9.651  16.760
    7    HB3  SER   2           2HB      SER   2  -6.938 -10.934  15.622
    8    HG   SER   2           HG       SER   2  -8.085  -9.894  14.042
    9    H    SER   3           H        SER   3 -11.021 -11.636  15.057
   10    HA   SER   3           HA       SER   3 -10.234 -14.322  14.376
   11    HB2  SER   3           1HB      SER   3 -12.413 -14.568  13.457
   12    HB3  SER   3           2HB      SER   3 -12.612 -13.557  14.888
   13    HG   SER   3           HG       SER   3 -12.321 -11.766  13.231
   14    H    GLY   4           H        GLY   4 -10.476 -15.071  12.058
   15    HA2  GLY   4           1HA      GLY   4  -8.524 -14.192  10.427
   16    HA3  GLY   4           2HA      GLY   4 -10.012 -14.880   9.794
   17    H    SER   5           H        SER   5  -8.016 -12.239   9.708
   18    HA   SER   5           HA       SER   5  -9.870 -10.743   8.108
   19    HB2  SER   5           1HB      SER   5  -8.981  -9.629  10.777
   20    HB3  SER   5           2HB      SER   5  -9.704  -8.659   9.495
   21    HG   SER   5           HG       SER   5 -11.533 -10.107   9.632
   22    H    SER   6           H        SER   6  -8.545 -10.439   6.435
   23    HA   SER   6           HA       SER   6  -5.734  -9.827   6.864
   24    HB2  SER   6           1HB      SER   6  -5.466 -10.166   4.490
   25    HB3  SER   6           2HB      SER   6  -6.480 -11.466   5.116
   26    HG   SER   6           HG       SER   6  -7.960 -10.835   3.782
   27    H    GLY   7           H        GLY   7  -8.583  -8.342   5.350
   28    HA2  GLY   7           1HA      GLY   7  -7.309  -5.986   4.477
   29    HA3  GLY   7           2HA      GLY   7  -9.032  -6.168   4.767
   30    H    GLU   8           H        GLU   8  -8.941  -6.766   7.520
   31    HA   GLU   8           HA       GLU   8  -8.381  -4.097   8.548
   32    HB2  GLU   8           1HB      GLU   8 -10.573  -5.397   8.915
   33    HB3  GLU   8           2HB      GLU   8  -9.663  -6.342  10.086
   34    HG2  GLU   8           1HG      GLU   8  -9.065  -4.105  11.161
   35    HG3  GLU   8           2HG      GLU   8 -10.355  -3.429  10.167
   36    H    SER   9           H        SER   9  -6.039  -5.302   8.041
   37    HA   SER   9           HA       SER   9  -4.982  -6.869  10.143
   38    HB2  SER   9           1HB      SER   9  -4.081  -6.335   7.706
   39    HB3  SER   9           2HB      SER   9  -3.201  -5.067   8.559
   40    HG   SER   9           HG       SER   9  -2.544  -6.854  10.021
   41    H    LEU  10           H        LEU  10  -3.277  -6.200  11.648
   42    HA   LEU  10           HA       LEU  10  -3.293  -3.385  12.410
   43    HB2  LEU  10           1HB      LEU  10  -3.877  -5.532  14.434
   44    HB3  LEU  10           2HB      LEU  10  -3.903  -3.787  14.675
   45    HG   LEU  10           HG       LEU  10  -5.809  -5.024  12.737
   46   HD11  LEU  10          1HD1      LEU  10  -6.054  -6.409  14.702
   47   HD12  LEU  10          2HD1      LEU  10  -7.431  -5.315  14.566
   48   HD13  LEU  10          3HD1      LEU  10  -6.151  -4.980  15.732
   49   HD21  LEU  10          1HD2      LEU  10  -6.223  -2.755  14.662
   50   HD22  LEU  10          2HD2      LEU  10  -7.117  -3.125  13.188
   51   HD23  LEU  10          3HD2      LEU  10  -5.460  -2.526  13.089
   52    H    CYS  11           H        CYS  11  -1.554  -2.787  13.796
   53    HA   CYS  11           HA       CYS  11   0.850  -4.200  13.280
   54    HB2  CYS  11           1HB      CYS  11   0.070  -1.733  14.716
   55    HB3  CYS  11           2HB      CYS  11   1.564  -2.492  15.256
   56    HA   PRO  12           HA       PRO  12   0.884  -7.085  16.609
   57    HB2  PRO  12           1HB      PRO  12   3.554  -7.570  16.704
   58    HB3  PRO  12           2HB      PRO  12   2.508  -8.196  15.423
   59    HG2  PRO  12           1HG      PRO  12   4.311  -5.806  15.397
   60    HG3  PRO  12           2HG      PRO  12   4.065  -7.036  14.144
   61    HD2  PRO  12           1HD      PRO  12   2.891  -4.599  14.042
   62    HD3  PRO  12           2HD      PRO  12   2.121  -6.057  13.386
   63    H    GLN  13           H        GLN  13   2.167  -3.981  16.771
   64    HA   GLN  13           HA       GLN  13   2.670  -4.284  19.656
   65    HB2  GLN  13           1HB      GLN  13   4.261  -2.827  17.582
   66    HB3  GLN  13           2HB      GLN  13   4.232  -2.218  19.231
   67    HG2  GLN  13           1HG      GLN  13   4.904  -5.076  18.662
   68    HG3  GLN  13           2HG      GLN  13   6.121  -3.808  18.523
   69   HE21  GLN  13          1HE2      GLN  13   4.431  -5.869  20.612
   70   HE22  GLN  13          2HE2      GLN  13   5.054  -5.265  22.106
   71    H    HIS  14           H        HIS  14   1.839  -1.978  17.081
   72    HA   HIS  14           HA       HIS  14   0.641  -0.154  18.985
   73    HB2  HIS  14           1HB      HIS  14   0.557  -0.005  15.968
   74    HB3  HIS  14           2HB      HIS  14   0.275   1.305  17.110
   75    HD2  HIS  14           2HD      HIS  14   2.631   2.319  18.354
   76    HE1  HIS  14           1HE      HIS  14   5.269   0.437  15.616
   77    HE2  HIS  14           2HE      HIS  14   5.063   2.090  17.505
   78    H    HIS  15           H        HIS  15  -0.334  -2.861  17.197
   79    HA   HIS  15           HA       HIS  15  -2.364  -3.744  16.611
   80    HB2  HIS  15           1HB      HIS  15  -3.075  -2.450  19.251
   81    HB3  HIS  15           2HB      HIS  15  -4.023  -3.698  18.448
   82    HD1  HIS  15           1HD      HIS  15  -3.739  -5.514  20.180
   83    HD2  HIS  15           2HD      HIS  15  -0.122  -3.949  18.865
   84    HE1  HIS  15           1HE      HIS  15  -1.968  -7.028  21.127
   85    H    GLU  16           H        GLU  16  -1.927  -1.306  15.331
   86    HA   GLU  16           HA       GLU  16  -4.617  -0.101  15.341
   87    HB2  GLU  16           1HB      GLU  16  -1.910   1.088  14.797
   88    HB3  GLU  16           2HB      GLU  16  -3.372   1.847  14.182
   89    HG2  GLU  16           1HG      GLU  16  -4.118   1.591  16.711
   90    HG3  GLU  16           2HG      GLU  16  -2.373   1.619  16.961
   91    H    ALA  17           H        ALA  17  -5.565   0.431  13.328
   92    HA   ALA  17           HA       ALA  17  -5.453  -1.478  11.354
   93    HB1  ALA  17           1HB      ALA  17  -7.299   0.085  11.564
   94    HB2  ALA  17           2HB      ALA  17  -6.257   1.413  11.050
   95    HB3  ALA  17           3HB      ALA  17  -6.653   0.115   9.923
   96    H    LEU  18           H        LEU  18  -3.951  -2.023   9.928
   97    HA   LEU  18           HA       LEU  18  -1.706  -0.287   9.411
   98    HB2  LEU  18           1HB      LEU  18  -2.342  -2.963   8.182
   99    HB3  LEU  18           2HB      LEU  18  -0.783  -2.140   8.181
  100    HG   LEU  18           HG       LEU  18  -2.170  -3.212  10.637
  101   HD11  LEU  18          1HD1      LEU  18  -0.014  -4.732  10.445
  102   HD12  LEU  18          2HD1      LEU  18  -0.234  -4.401   8.728
  103   HD13  LEU  18          3HD1      LEU  18  -1.530  -5.161   9.652
  104   HD21  LEU  18          1HD2      LEU  18   0.716  -2.485  10.486
  105   HD22  LEU  18          2HD2      LEU  18  -0.371  -2.510  11.875
  106   HD23  LEU  18          3HD2      LEU  18  -0.479  -1.205  10.693
  107    H    SER  19           H        SER  19  -2.627   1.451   8.282
  108    HA   SER  19           HA       SER  19  -3.767   0.843   5.646
  109    HB2  SER  19           1HB      SER  19  -3.774   3.405   7.259
  110    HB3  SER  19           2HB      SER  19  -4.479   3.231   5.652
  111    HG   SER  19           HG       SER  19  -6.188   2.679   6.757
  112    H    LEU  20           H        LEU  20  -0.880   0.739   6.388
  113    HA   LEU  20           HA       LEU  20   0.080   2.398   4.185
  114    HB2  LEU  20           1HB      LEU  20   1.004   2.547   7.022
  115    HB3  LEU  20           2HB      LEU  20   2.148   2.841   5.714
  116    HG   LEU  20           HG       LEU  20  -0.363   4.412   6.293
  117   HD11  LEU  20          1HD1      LEU  20   1.529   6.220   6.464
  118   HD12  LEU  20          2HD1      LEU  20   2.536   4.822   6.837
  119   HD13  LEU  20          3HD1      LEU  20   1.133   5.191   7.841
  120   HD21  LEU  20          1HD2      LEU  20   1.499   4.365   3.972
  121   HD22  LEU  20          2HD2      LEU  20   0.852   5.917   4.505
  122   HD23  LEU  20          3HD2      LEU  20  -0.245   4.624   4.018
  123    H    PHE  21           H        PHE  21   2.213   1.745   3.412
  124    HA   PHE  21           HA       PHE  21   3.151  -0.870   4.292
  125    HB2  PHE  21           1HB      PHE  21   1.636  -1.595   2.627
  126    HB3  PHE  21           2HB      PHE  21   2.078  -0.283   1.539
  127    HD1  PHE  21           1HD      PHE  21   3.301  -3.424   3.062
  128    HD2  PHE  21           2HD      PHE  21   3.806  -0.538  -0.025
  129    HE1  PHE  21           1HE      PHE  21   4.926  -4.901   1.952
  130    HE2  PHE  21           2HE      PHE  21   5.431  -2.009  -1.140
  131    HZ   PHE  21           HZ       PHE  21   5.993  -4.195  -0.153
  132    H    CYS  22           H        CYS  22   5.277  -0.758   4.499
  133    HA   CYS  22           HA       CYS  22   6.761   1.375   3.218
  134    HB2  CYS  22           1HB      CYS  22   7.091   0.672   5.625
  135    HB3  CYS  22           2HB      CYS  22   7.838  -0.801   5.015
  136    H    TYR  23           H        TYR  23   7.357   1.082   1.171
  137    HA   TYR  23           HA       TYR  23   7.575  -1.330  -0.183
  138    HB2  TYR  23           1HB      TYR  23   8.506   1.447  -0.668
  139    HB3  TYR  23           2HB      TYR  23   9.265   0.180  -1.625
  140    HD1  TYR  23           1HD      TYR  23   7.660  -1.450  -2.856
  141    HD2  TYR  23           2HD      TYR  23   6.480   2.354  -1.358
  142    HE1  TYR  23           1HE      TYR  23   5.739  -1.447  -4.392
  143    HE2  TYR  23           2HE      TYR  23   4.555   2.366  -2.890
  144    HH   TYR  23           HH       TYR  23   4.268   0.384  -5.496
  145    H    GLU  24           H        GLU  24   9.990   0.457   1.649
  146    HA   GLU  24           HA       GLU  24  12.237  -1.060   0.861
  147    HB2  GLU  24           1HB      GLU  24  11.609   0.833   3.067
  148    HB3  GLU  24           2HB      GLU  24  13.004  -0.215   3.278
  149    HG2  GLU  24           1HG      GLU  24  13.822   1.779   2.347
  150    HG3  GLU  24           2HG      GLU  24  13.811   0.600   1.036
  151    H    ASP  25           H        ASP  25  10.345  -1.196   3.883
  152    HA   ASP  25           HA       ASP  25  11.555  -3.697   4.640
  153    HB2  ASP  25           1HB      ASP  25   9.183  -2.285   5.878
  154    HB3  ASP  25           2HB      ASP  25  10.143  -3.568   6.612
  155    H    GLN  26           H        GLN  26   9.402  -3.043   2.332
  156    HA   GLN  26           HA       GLN  26   7.527  -4.075   1.456
  157    HB2  GLN  26           1HB      GLN  26   9.610  -6.188   1.908
  158    HB3  GLN  26           2HB      GLN  26   8.075  -6.598   1.154
  159    HG2  GLN  26           1HG      GLN  26   9.908  -4.444   0.136
  160    HG3  GLN  26           2HG      GLN  26   9.944  -6.114  -0.428
  161   HE21  GLN  26          1HE2      GLN  26   8.724  -3.103  -1.006
  162   HE22  GLN  26          2HE2      GLN  26   7.393  -3.527  -2.023
  163    H    GLU  27           H        GLU  27   6.813  -3.514   3.969
  164    HA   GLU  27           HA       GLU  27   5.211  -5.843   4.699
  165    HB2  GLU  27           1HB      GLU  27   5.728  -5.655   7.058
  166    HB3  GLU  27           2HB      GLU  27   7.211  -5.910   6.150
  167    HG2  GLU  27           1HG      GLU  27   7.448  -3.356   6.212
  168    HG3  GLU  27           2HG      GLU  27   6.235  -3.419   7.488
  169    H    ALA  28           H        ALA  28   3.438  -5.272   6.204
  170    HA   ALA  28           HA       ALA  28   2.421  -2.602   5.555
  171    HB1  ALA  28           1HB      ALA  28   1.121  -5.187   6.308
  172    HB2  ALA  28           2HB      ALA  28   0.255  -3.664   6.509
  173    HB3  ALA  28           3HB      ALA  28   0.826  -4.149   4.913
  174    H    VAL  29           H        VAL  29   2.720  -1.073   7.028
  175    HA   VAL  29           HA       VAL  29   2.666  -1.828   9.878
  176    HB   VAL  29           HB       VAL  29   3.983   0.261  10.272
  177   HG11  VAL  29          1HG1      VAL  29   5.899  -0.911  10.146
  178   HG12  VAL  29          2HG1      VAL  29   4.843  -2.225   9.623
  179   HG13  VAL  29          3HG1      VAL  29   5.699  -1.251   8.427
  180   HG21  VAL  29          1HG2      VAL  29   4.508   1.698   8.643
  181   HG22  VAL  29          2HG2      VAL  29   4.986   0.406   7.542
  182   HG23  VAL  29          3HG2      VAL  29   3.289   0.867   7.677
  183    H    CYS  30           H        CYS  30   2.119   0.197  11.277
  184    HA   CYS  30           HA       CYS  30  -0.468   1.151  10.333
  185    HB2  CYS  30           1HB      CYS  30  -0.967   1.659  12.598
  186    HB3  CYS  30           2HB      CYS  30  -0.121   0.115  12.625
  187    H    LEU  31           H        LEU  31  -0.977   3.472  11.319
  188    HA   LEU  31           HA       LEU  31   0.382   5.331   9.765
  189    HB2  LEU  31           1HB      LEU  31  -1.865   5.676  10.674
  190    HB3  LEU  31           2HB      LEU  31  -1.186   5.814  12.295
  191    HG   LEU  31           HG       LEU  31  -0.265   7.710  10.185
  192   HD11  LEU  31          1HD1      LEU  31  -2.938   7.392  10.515
  193   HD12  LEU  31          2HD1      LEU  31  -2.157   8.908  10.065
  194   HD13  LEU  31          3HD1      LEU  31  -2.581   8.601  11.749
  195   HD21  LEU  31          1HD2      LEU  31   0.688   8.686  11.933
  196   HD22  LEU  31          2HD2      LEU  31   0.113   7.365  12.950
  197   HD23  LEU  31          3HD2      LEU  31  -0.868   8.819  12.754
  198    H    ILE  32           H        ILE  32   0.577   4.953  13.309
  199    HA   ILE  32           HA       ILE  32   2.530   6.778  13.879
  200    HB   ILE  32           HB       ILE  32   2.276   4.031  15.108
  201   HG12  ILE  32          1HG1      ILE  32   1.206   6.523  16.358
  202   HG13  ILE  32          2HG1      ILE  32   0.294   5.792  15.041
  203   HG21  ILE  32          1HG2      ILE  32   4.399   5.008  15.679
  204   HG22  ILE  32          2HG2      ILE  32   3.626   6.533  16.106
  205   HG23  ILE  32          3HG2      ILE  32   3.334   5.094  17.082
  206   HD11  ILE  32          1HD1      ILE  32   0.592   4.950  17.810
  207   HD12  ILE  32          2HD1      ILE  32  -0.669   4.577  16.636
  208   HD13  ILE  32          3HD1      ILE  32   0.829   3.646  16.647
  209    H    CYS  33           H        CYS  33   3.096   3.357  13.045
  210    HA   CYS  33           HA       CYS  33   5.822   3.259  13.117
  211    HB2  CYS  33           1HB      CYS  33   3.791   1.916  11.382
  212    HB3  CYS  33           2HB      CYS  33   5.498   1.694  11.012
  213    H    ALA  34           H        ALA  34   3.820   4.475  10.457
  214    HA   ALA  34           HA       ALA  34   5.657   4.919   8.495
  215    HB1  ALA  34           1HB      ALA  34   4.068   6.166   7.515
  216    HB2  ALA  34           2HB      ALA  34   3.071   5.647   8.875
  217    HB3  ALA  34           3HB      ALA  34   3.879   7.214   8.921
  218    H    ILE  35           H        ILE  35   4.907   7.196  11.135
  219    HA   ILE  35           HA       ILE  35   6.461   9.308  10.681
  220    HB   ILE  35           HB       ILE  35   6.333   7.790  13.286
  221   HG12  ILE  35          1HG1      ILE  35   4.903  10.322  12.472
  222   HG13  ILE  35          2HG1      ILE  35   4.210   8.719  12.248
  223   HG21  ILE  35          1HG2      ILE  35   6.892  10.186  14.168
  224   HG22  ILE  35          2HG2      ILE  35   8.185   9.100  13.660
  225   HG23  ILE  35          3HG2      ILE  35   7.633  10.379  12.580
  226   HD11  ILE  35          1HD1      ILE  35   4.984   9.985  14.865
  227   HD12  ILE  35          2HD1      ILE  35   3.349   9.721  14.258
  228   HD13  ILE  35          3HD1      ILE  35   4.369   8.344  14.672
  229    H    SER  36           H        SER  36   7.797   6.400  12.264
  230    HA   SER  36           HA       SER  36  10.460   7.179  12.265
  231    HB2  SER  36           1HB      SER  36   9.778   5.259  13.541
  232    HB3  SER  36           2HB      SER  36   9.239   4.417  12.088
  233    HG   SER  36           HG       SER  36  11.893   5.253  12.161
  234    H    HIS  37           H        HIS  37   8.818   5.099   9.879
  235    HA   HIS  37           HA       HIS  37  10.915   4.743   8.118
  236    HB2  HIS  37           1HB      HIS  37   7.992   5.072   7.405
  237    HB3  HIS  37           2HB      HIS  37   9.221   4.310   6.398
  238    HD2  HIS  37           2HD      HIS  37   6.764   3.402   9.180
  239    HE1  HIS  37           1HE      HIS  37   9.348   0.076   8.673
  240    HE2  HIS  37           2HE      HIS  37   7.187   0.898   9.673
  241    H    THR  38           H        THR  38   8.322   7.169   7.746
  242    HA   THR  38           HA       THR  38   9.328   8.568   5.614
  243    HB   THR  38           HB       THR  38   8.154  10.580   6.541
  244    HG1  THR  38           1HG      THR  38   7.423  10.563   8.558
  245   HG21  THR  38          1HG2      THR  38   7.061   8.618   5.277
  246   HG22  THR  38          2HG2      THR  38   6.009   9.730   6.153
  247   HG23  THR  38          3HG2      THR  38   6.405   8.159   6.848
  248    H    HIS  39           H        HIS  39  10.365   8.683   8.952
  249    HA   HIS  39           HA       HIS  39  12.023  11.010   8.596
  250    HB2  HIS  39           1HB      HIS  39  11.432   9.116  10.816
  251    HB3  HIS  39           2HB      HIS  39  12.950  10.006  10.890
  252    HD1  HIS  39           1HD      HIS  39  12.094  11.336  12.949
  253    HD2  HIS  39           2HD      HIS  39   9.842  11.879   9.499
  254    HE1  HIS  39           1HE      HIS  39  10.632  13.331  13.406
  255    H    ARG  40           H        ARG  40  12.433   7.531   8.509
  256    HA   ARG  40           HA       ARG  40  15.320   7.725   8.327
  257    HB2  ARG  40           1HB      ARG  40  13.352   5.460   8.370
  258    HB3  ARG  40           2HB      ARG  40  15.010   5.182   7.855
  259    HG2  ARG  40           1HG      ARG  40  14.570   6.603  10.424
  260    HG3  ARG  40           2HG      ARG  40  14.256   4.867  10.362
  261    HD2  ARG  40           1HD      ARG  40  16.558   4.632   9.326
  262    HD3  ARG  40           2HD      ARG  40  16.828   6.314   9.780
  263    HE   ARG  40           HE       ARG  40  16.049   5.202  12.103
  264   HH11  ARG  40          2HH1      ARG  40  18.437   4.289   9.739
  265   HH12  ARG  40          1HH1      ARG  40  19.481   3.531  10.895
  266   HH21  ARG  40          2HH2      ARG  40  17.416   4.208  13.635
  267   HH22  ARG  40          1HH2      ARG  40  18.899   3.485  13.111
  268    H    ALA  41           H        ALA  41  13.312   8.778   6.253
  269    HA   ALA  41           HA       ALA  41  13.232   9.044   3.994
  270    HB1  ALA  41           1HB      ALA  41  16.007   8.085   4.462
  271    HB2  ALA  41           2HB      ALA  41  15.415   8.162   2.802
  272    HB3  ALA  41           3HB      ALA  41  15.434   9.616   3.799
  273    H    HIS  42           H        HIS  42  11.929   6.793   5.025
  274    HA   HIS  42           HA       HIS  42  12.486   4.652   3.104
  275    HB2  HIS  42           1HB      HIS  42  11.120   4.795   5.743
  276    HB3  HIS  42           2HB      HIS  42  10.529   3.600   4.592
  277    HD2  HIS  42           2HD      HIS  42  14.197   3.733   4.006
  278    HE1  HIS  42           1HE      HIS  42  13.688   0.867   7.093
  279    HE2  HIS  42           2HE      HIS  42  15.298   1.887   5.445
  280    H    THR  43           H        THR  43  10.964   3.914   1.645
  281    HA   THR  43           HA       THR  43   8.908   5.847   0.936
  282    HB   THR  43           HB       THR  43   9.662   3.320  -0.540
  283    HG1  THR  43           1HG      THR  43  10.748   5.116  -1.876
  284   HG21  THR  43          1HG2      THR  43   7.554   5.125  -0.897
  285   HG22  THR  43          2HG2      THR  43   8.112   3.899  -2.036
  286   HG23  THR  43          3HG2      THR  43   8.742   5.543  -2.131
  287    H    VAL  44           H        VAL  44   6.987   5.650   1.879
  288    HA   VAL  44           HA       VAL  44   5.806   2.961   2.089
  289    HB   VAL  44           HB       VAL  44   5.547   5.165   4.140
  290   HG11  VAL  44          1HG1      VAL  44   4.558   2.403   4.605
  291   HG12  VAL  44          2HG1      VAL  44   3.965   3.940   5.236
  292   HG13  VAL  44          3HG1      VAL  44   3.595   3.464   3.578
  293   HG21  VAL  44          1HG2      VAL  44   7.649   3.477   3.853
  294   HG22  VAL  44          2HG2      VAL  44   7.121   4.154   5.393
  295   HG23  VAL  44          3HG2      VAL  44   6.606   2.536   4.919
  296    H    VAL  45           H        VAL  45   3.753   2.765   1.384
  297    HA   VAL  45           HA       VAL  45   2.240   5.220   0.800
  298    HB   VAL  45           HB       VAL  45   1.496   4.354  -1.321
  299   HG11  VAL  45          1HG1      VAL  45   3.660   5.587  -1.197
  300   HG12  VAL  45          2HG1      VAL  45   4.490   4.030  -1.189
  301   HG13  VAL  45          3HG1      VAL  45   3.524   4.508  -2.585
  302   HG21  VAL  45          1HG2      VAL  45   2.127   2.255  -2.222
  303   HG22  VAL  45          2HG2      VAL  45   3.308   1.980  -0.942
  304   HG23  VAL  45          3HG2      VAL  45   1.584   1.942  -0.573
  305    HA   PRO  46           HA       PRO  46  -1.128   3.219   2.793
  306    HB2  PRO  46           1HB      PRO  46  -3.211   4.446   1.558
  307    HB3  PRO  46           2HB      PRO  46  -2.187   5.257   2.749
  308    HG2  PRO  46           1HG      PRO  46  -2.088   5.391  -0.240
  309    HG3  PRO  46           2HG      PRO  46  -1.933   6.702   0.944
  310    HD2  PRO  46           1HD      PRO  46   0.208   5.582  -0.278
  311    HD3  PRO  46           2HD      PRO  46   0.278   6.217   1.378
  312    H    LEU  47           H        LEU  47  -2.573   1.544   2.527
  313    HA   LEU  47           HA       LEU  47  -2.436   0.148  -0.012
  314    HB2  LEU  47           1HB      LEU  47  -3.212  -0.524   2.765
  315    HB3  LEU  47           2HB      LEU  47  -3.989  -1.441   1.476
  316    HG   LEU  47           HG       LEU  47  -1.738  -2.094   0.654
  317   HD11  LEU  47          1HD1      LEU  47  -0.883  -0.045   2.359
  318   HD12  LEU  47          2HD1      LEU  47   0.117  -1.148   1.414
  319   HD13  LEU  47          3HD1      LEU  47  -0.304  -1.547   3.080
  320   HD21  LEU  47          1HD2      LEU  47  -2.029  -2.833   3.550
  321   HD22  LEU  47          2HD2      LEU  47  -1.447  -3.821   2.210
  322   HD23  LEU  47          3HD2      LEU  47  -3.158  -3.407   2.323
  323    H    SER  48           H        SER  48  -5.108   0.929   2.224
  324    HA   SER  48           HA       SER  48  -7.281   0.376   0.760
  325    HB2  SER  48           1HB      SER  48  -7.194   1.536   3.024
  326    HB3  SER  48           2HB      SER  48  -7.040   3.053   2.139
  327    HG   SER  48           HG       SER  48  -9.217   2.591   2.647
  328    H    GLY  49           H        GLY  49  -5.039   2.983   0.122
  329    HA2  GLY  49           1HA      GLY  49  -5.573   3.204  -2.575
  330    HA3  GLY  49           2HA      GLY  49  -6.663   4.340  -1.793
  331    HA   PRO  50           HA       PRO  50  -2.111   5.885  -2.192
  332    HB2  PRO  50           1HB      PRO  50  -2.115   6.959  -4.685
  333    HB3  PRO  50           2HB      PRO  50  -1.606   5.299  -4.356
  334    HG2  PRO  50           1HG      PRO  50  -4.232   6.306  -5.380
  335    HG3  PRO  50           2HG      PRO  50  -3.285   4.906  -5.915
  336    HD2  PRO  50           1HD      PRO  50  -5.427   4.675  -4.275
  337    HD3  PRO  50           2HD      PRO  50  -4.033   3.580  -4.184
  338    H    SER  51           H        SER  51  -1.574   8.273  -3.069
  339    HA   SER  51           HA       SER  51  -2.997  10.049  -1.497
  340    HB2  SER  51           1HB      SER  51  -1.702  11.764  -2.453
  341    HB3  SER  51           2HB      SER  51  -0.692  10.329  -2.630
  342    HG   SER  51           HG       SER  51  -0.654  11.031  -4.636
  343    H    SER  52           H        SER  52  -4.828  11.177  -1.711
  344    HA   SER  52           HA       SER  52  -6.861  10.583  -3.384
  345    HB2  SER  52           1HB      SER  52  -6.205  13.329  -2.291
  346    HB3  SER  52           2HB      SER  52  -7.771  12.861  -2.953
  347    HG   SER  52           HG       SER  52  -6.531  11.492  -0.806
  348    H    GLY  53           H        GLY  53  -4.444  13.128  -3.985
  349    HA2  GLY  53           1HA      GLY  53  -4.681  12.702  -6.838
  350    HA3  GLY  53           2HA      GLY  53  -5.283  14.259  -6.288
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -14.117 -21.611  10.102
    2    HA2  GLY   1           1HA      GLY   1 -11.801 -21.654   9.715
    3    HA3  GLY   1           2HA      GLY   1 -12.110 -22.102   8.044
    4    H    SER   2           H        SER   2 -10.671 -19.824   9.691
    5    HA   SER   2           HA       SER   2 -11.848 -17.470   8.485
    6    HB2  SER   2           1HB      SER   2  -9.581 -17.978  10.380
    7    HB3  SER   2           2HB      SER   2  -9.684 -16.428   9.545
    8    HG   SER   2           HG       SER   2 -10.851 -16.913  11.720
    9    H    SER   3           H        SER   3 -10.152 -15.880   7.490
   10    HA   SER   3           HA       SER   3  -8.198 -17.227   5.807
   11    HB2  SER   3           1HB      SER   3 -10.691 -15.908   4.774
   12    HB3  SER   3           2HB      SER   3  -9.220 -15.907   3.800
   13    HG   SER   3           HG       SER   3 -10.370 -17.723   3.256
   14    H    GLY   4           H        GLY   4  -6.682 -15.799   4.830
   15    HA2  GLY   4           1HA      GLY   4  -6.263 -13.397   6.388
   16    HA3  GLY   4           2HA      GLY   4  -5.168 -14.071   5.190
   17    H    SER   5           H        SER   5  -6.475 -14.091   2.895
   18    HA   SER   5           HA       SER   5  -6.321 -11.578   1.870
   19    HB2  SER   5           1HB      SER   5  -6.809 -13.914   0.737
   20    HB3  SER   5           2HB      SER   5  -8.479 -13.349   0.793
   21    HG   SER   5           HG       SER   5  -6.385 -11.771  -0.267
   22    H    SER   6           H        SER   6  -7.724  -9.879   1.436
   23    HA   SER   6           HA       SER   6  -9.236  -8.320   2.198
   24    HB2  SER   6           1HB      SER   6 -11.553  -8.951   1.675
   25    HB3  SER   6           2HB      SER   6 -10.452  -9.496   0.410
   26    HG   SER   6           HG       SER   6 -11.870 -11.159   0.943
   27    H    GLY   7           H        GLY   7  -8.044  -9.506   4.381
   28    HA2  GLY   7           1HA      GLY   7 -10.290  -9.974   6.238
   29    HA3  GLY   7           2HA      GLY   7  -8.651 -10.555   6.488
   30    H    GLU   8           H        GLU   8  -8.052  -9.586   8.338
   31    HA   GLU   8           HA       GLU   8  -8.244  -6.647   8.437
   32    HB2  GLU   8           1HB      GLU   8  -8.316  -8.590  10.752
   33    HB3  GLU   8           2HB      GLU   8  -8.338  -6.838  10.893
   34    HG2  GLU   8           1HG      GLU   8 -10.562  -7.525  11.153
   35    HG3  GLU   8           2HG      GLU   8 -10.453  -6.880   9.516
   36    H    SER   9           H        SER   9  -6.484  -5.503   9.279
   37    HA   SER   9           HA       SER   9  -4.041  -7.026   9.830
   38    HB2  SER   9           1HB      SER   9  -4.495  -5.133   7.579
   39    HB3  SER   9           2HB      SER   9  -2.938  -5.049   8.402
   40    HG   SER   9           HG       SER   9  -2.776  -6.534   6.745
   41    H    LEU  10           H        LEU  10  -3.160  -6.341  11.656
   42    HA   LEU  10           HA       LEU  10  -3.304  -3.495  12.343
   43    HB2  LEU  10           1HB      LEU  10  -3.982  -5.761  14.212
   44    HB3  LEU  10           2HB      LEU  10  -3.816  -4.071  14.683
   45    HG   LEU  10           HG       LEU  10  -5.864  -5.009  12.686
   46   HD11  LEU  10          1HD1      LEU  10  -6.443  -6.202  14.626
   47   HD12  LEU  10          2HD1      LEU  10  -7.453  -4.757  14.650
   48   HD13  LEU  10          3HD1      LEU  10  -6.026  -4.852  15.682
   49   HD21  LEU  10          1HD2      LEU  10  -6.335  -2.663  14.380
   50   HD22  LEU  10          2HD2      LEU  10  -6.592  -2.887  12.650
   51   HD23  LEU  10          3HD2      LEU  10  -4.982  -2.501  13.260
   52    H    CYS  11           H        CYS  11  -1.604  -2.730  13.614
   53    HA   CYS  11           HA       CYS  11   0.883  -3.979  13.250
   54    HB2  CYS  11           1HB      CYS  11   0.346  -1.495  13.692
   55    HB3  CYS  11           2HB      CYS  11   0.361  -1.935  15.396
   56    HA   PRO  12           HA       PRO  12   0.886  -6.931  16.540
   57    HB2  PRO  12           1HB      PRO  12   3.542  -7.493  16.509
   58    HB3  PRO  12           2HB      PRO  12   2.419  -8.089  15.281
   59    HG2  PRO  12           1HG      PRO  12   4.286  -5.752  15.166
   60    HG3  PRO  12           2HG      PRO  12   3.947  -6.975  13.928
   61    HD2  PRO  12           1HD      PRO  12   2.839  -4.504  13.877
   62    HD3  PRO  12           2HD      PRO  12   1.998  -5.941  13.261
   63    H    GLN  13           H        GLN  13   2.132  -3.847  16.676
   64    HA   GLN  13           HA       GLN  13   2.880  -4.190  19.503
   65    HB2  GLN  13           1HB      GLN  13   4.877  -3.729  18.153
   66    HB3  GLN  13           2HB      GLN  13   4.118  -2.277  17.516
   67    HG2  GLN  13           1HG      GLN  13   5.735  -1.768  19.269
   68    HG3  GLN  13           2HG      GLN  13   4.102  -1.280  19.720
   69   HE21  GLN  13          1HE2      GLN  13   4.871  -1.275  21.901
   70   HE22  GLN  13          2HE2      GLN  13   4.980  -2.755  22.786
   71    H    HIS  14           H        HIS  14   1.767  -1.850  17.067
   72    HA   HIS  14           HA       HIS  14   0.615  -0.165  19.135
   73    HB2  HIS  14           1HB      HIS  14   0.560   0.141  16.125
   74    HB3  HIS  14           2HB      HIS  14   0.051   1.354  17.296
   75    HD2  HIS  14           2HD      HIS  14   2.273   2.350  18.918
   76    HE1  HIS  14           1HE      HIS  14   5.130   1.336  15.950
   77    HE2  HIS  14           2HE      HIS  14   4.719   2.573  18.105
   78    H    HIS  15           H        HIS  15  -0.346  -2.713  17.071
   79    HA   HIS  15           HA       HIS  15  -2.352  -3.673  16.572
   80    HB2  HIS  15           1HB      HIS  15  -2.668  -2.625  19.346
   81    HB3  HIS  15           2HB      HIS  15  -4.099  -3.245  18.529
   82    HD1  HIS  15           1HD      HIS  15  -1.902  -4.390  20.892
   83    HD2  HIS  15           2HD      HIS  15  -3.068  -5.951  17.222
   84    HE1  HIS  15           1HE      HIS  15  -1.405  -6.852  21.020
   85    H    GLU  16           H        GLU  16  -1.957  -1.179  15.358
   86    HA   GLU  16           HA       GLU  16  -4.676  -0.043  15.380
   87    HB2  GLU  16           1HB      GLU  16  -1.999   1.222  14.843
   88    HB3  GLU  16           2HB      GLU  16  -3.491   1.964  14.282
   89    HG2  GLU  16           1HG      GLU  16  -4.169   1.595  16.824
   90    HG3  GLU  16           2HG      GLU  16  -2.420   1.688  17.025
   91    H    ALA  17           H        ALA  17  -5.619   0.535  13.370
   92    HA   ALA  17           HA       ALA  17  -5.446  -1.340  11.354
   93    HB1  ALA  17           1HB      ALA  17  -6.681   0.283   9.951
   94    HB2  ALA  17           2HB      ALA  17  -7.363   0.102  11.568
   95    HB3  ALA  17           3HB      ALA  17  -6.388   1.518  11.175
   96    H    LEU  18           H        LEU  18  -4.024  -1.746   9.796
   97    HA   LEU  18           HA       LEU  18  -1.818   0.082   9.357
   98    HB2  LEU  18           1HB      LEU  18  -2.330  -2.568   8.024
   99    HB3  LEU  18           2HB      LEU  18  -0.804  -1.690   8.113
  100    HG   LEU  18           HG       LEU  18  -2.209  -2.851  10.514
  101   HD11  LEU  18          1HD1      LEU  18   0.137  -4.277   9.972
  102   HD12  LEU  18          2HD1      LEU  18  -0.730  -4.175   8.440
  103   HD13  LEU  18          3HD1      LEU  18  -1.525  -4.856   9.860
  104   HD21  LEU  18          1HD2      LEU  18  -0.203  -0.963  10.333
  105   HD22  LEU  18          2HD2      LEU  18   0.669  -2.472  10.604
  106   HD23  LEU  18          3HD2      LEU  18  -0.578  -1.957  11.741
  107    H    SER  19           H        SER  19  -2.710   1.811   8.242
  108    HA   SER  19           HA       SER  19  -4.021   1.265   5.684
  109    HB2  SER  19           1HB      SER  19  -4.794   3.003   7.510
  110    HB3  SER  19           2HB      SER  19  -3.593   4.035   6.735
  111    HG   SER  19           HG       SER  19  -5.693   2.705   5.366
  112    H    LEU  20           H        LEU  20  -1.018   1.157   6.458
  113    HA   LEU  20           HA       LEU  20  -0.110   2.500   4.019
  114    HB2  LEU  20           1HB      LEU  20   1.120   2.795   6.750
  115    HB3  LEU  20           2HB      LEU  20   1.964   3.206   5.258
  116    HG   LEU  20           HG       LEU  20  -0.623   4.491   6.120
  117   HD11  LEU  20          1HD1      LEU  20   0.923   6.449   6.630
  118   HD12  LEU  20          2HD1      LEU  20   2.229   5.264   6.653
  119   HD13  LEU  20          3HD1      LEU  20   0.892   5.124   7.794
  120   HD21  LEU  20          1HD2      LEU  20   0.004   4.505   3.691
  121   HD22  LEU  20          2HD2      LEU  20   1.442   5.425   4.136
  122   HD23  LEU  20          3HD2      LEU  20  -0.162   6.099   4.428
  123    H    PHE  21           H        PHE  21   2.147   1.787   3.428
  124    HA   PHE  21           HA       PHE  21   2.989  -0.768   4.496
  125    HB2  PHE  21           1HB      PHE  21   1.369  -1.592   2.949
  126    HB3  PHE  21           2HB      PHE  21   1.905  -0.479   1.694
  127    HD1  PHE  21           1HD      PHE  21   2.620  -3.599   3.456
  128    HD2  PHE  21           2HD      PHE  21   3.895  -0.922   0.402
  129    HE1  PHE  21           1HE      PHE  21   4.141  -5.325   2.583
  130    HE2  PHE  21           2HE      PHE  21   5.417  -2.644  -0.477
  131    HZ   PHE  21           HZ       PHE  21   5.541  -4.849   0.613
  132    H    CYS  22           H        CYS  22   5.123  -0.681   4.628
  133    HA   CYS  22           HA       CYS  22   6.614   1.286   3.134
  134    HB2  CYS  22           1HB      CYS  22   6.953   0.457   5.606
  135    HB3  CYS  22           2HB      CYS  22   7.916  -0.802   4.840
  136    H    TYR  23           H        TYR  23   7.604   0.962   1.260
  137    HA   TYR  23           HA       TYR  23   7.514  -1.550  -0.064
  138    HB2  TYR  23           1HB      TYR  23   8.509   1.172  -0.685
  139    HB3  TYR  23           2HB      TYR  23   9.250  -0.150  -1.580
  140    HD1  TYR  23           1HD      TYR  23   7.918  -1.518  -3.113
  141    HD2  TYR  23           2HD      TYR  23   6.202   1.782  -1.046
  142    HE1  TYR  23           1HE      TYR  23   6.000  -1.558  -4.652
  143    HE2  TYR  23           2HE      TYR  23   4.279   1.750  -2.579
  144    HH   TYR  23           HH       TYR  23   3.135   0.025  -4.062
  145    H    GLU  24           H        GLU  24  10.338   0.430   0.862
  146    HA   GLU  24           HA       GLU  24  12.382  -1.246   0.348
  147    HB2  GLU  24           1HB      GLU  24  12.366   1.056   1.545
  148    HB3  GLU  24           2HB      GLU  24  12.298   0.111   3.026
  149    HG2  GLU  24           1HG      GLU  24  14.556   0.503   2.759
  150    HG3  GLU  24           2HG      GLU  24  14.355  -1.114   2.087
  151    H    ASP  25           H        ASP  25  10.818  -1.213   3.556
  152    HA   ASP  25           HA       ASP  25  12.003  -3.592   4.454
  153    HB2  ASP  25           1HB      ASP  25   9.335  -2.497   5.355
  154    HB3  ASP  25           2HB      ASP  25  10.438  -3.517   6.275
  155    H    GLN  26           H        GLN  26   9.076  -2.986   2.626
  156    HA   GLN  26           HA       GLN  26   7.791  -4.394   1.369
  157    HB2  GLN  26           1HB      GLN  26  10.140  -5.640   1.260
  158    HB3  GLN  26           2HB      GLN  26   9.278  -6.827   2.230
  159    HG2  GLN  26           1HG      GLN  26   8.821  -7.648   0.173
  160    HG3  GLN  26           2HG      GLN  26   7.467  -6.529   0.328
  161   HE21  GLN  26          1HE2      GLN  26   7.274  -4.892  -1.082
  162   HE22  GLN  26          2HE2      GLN  26   8.402  -4.542  -2.342
  163    H    GLU  27           H        GLU  27   7.326  -3.794   4.184
  164    HA   GLU  27           HA       GLU  27   5.536  -6.045   4.786
  165    HB2  GLU  27           1HB      GLU  27   6.070  -6.000   7.106
  166    HB3  GLU  27           2HB      GLU  27   7.595  -6.081   6.236
  167    HG2  GLU  27           1HG      GLU  27   7.566  -3.497   6.467
  168    HG3  GLU  27           2HG      GLU  27   6.404  -3.808   7.756
  169    H    ALA  28           H        ALA  28   3.812  -5.413   6.372
  170    HA   ALA  28           HA       ALA  28   2.760  -2.802   5.608
  171    HB1  ALA  28           1HB      ALA  28   0.964  -4.258   7.281
  172    HB2  ALA  28           2HB      ALA  28   0.803  -3.844   5.574
  173    HB3  ALA  28           3HB      ALA  28   1.611  -5.339   6.046
  174    H    VAL  29           H        VAL  29   2.502  -1.125   6.969
  175    HA   VAL  29           HA       VAL  29   2.978  -1.569   9.839
  176    HB   VAL  29           HB       VAL  29   4.285   0.472   9.987
  177   HG11  VAL  29          1HG1      VAL  29   6.231  -0.267   8.448
  178   HG12  VAL  29          2HG1      VAL  29   5.688  -1.356   9.725
  179   HG13  VAL  29          3HG1      VAL  29   5.184  -1.631   8.057
  180   HG21  VAL  29          1HG2      VAL  29   3.059   1.278   7.735
  181   HG22  VAL  29          2HG2      VAL  29   4.560   1.988   8.332
  182   HG23  VAL  29          3HG2      VAL  29   4.607   0.759   7.068
  183    H    CYS  30           H        CYS  30   2.300   0.381  11.153
  184    HA   CYS  30           HA       CYS  30  -0.310   1.271  10.177
  185    HB2  CYS  30           1HB      CYS  30  -0.839   1.760  12.484
  186    HB3  CYS  30           2HB      CYS  30  -0.149   0.143  12.392
  187    H    LEU  31           H        LEU  31  -0.925   3.529  11.187
  188    HA   LEU  31           HA       LEU  31   0.519   5.476   9.813
  189    HB2  LEU  31           1HB      LEU  31  -0.770   7.106  11.185
  190    HB3  LEU  31           2HB      LEU  31  -1.752   5.882  10.381
  191    HG   LEU  31           HG       LEU  31  -0.945   5.421  13.212
  192   HD11  LEU  31          1HD1      LEU  31  -3.358   7.074  12.557
  193   HD12  LEU  31          2HD1      LEU  31  -1.800   7.818  12.915
  194   HD13  LEU  31          3HD1      LEU  31  -2.589   6.801  14.120
  195   HD21  LEU  31          1HD2      LEU  31  -3.579   4.771  12.886
  196   HD22  LEU  31          2HD2      LEU  31  -2.224   3.657  12.702
  197   HD23  LEU  31          3HD2      LEU  31  -2.916   4.447  11.285
  198    H    ILE  32           H        ILE  32   0.713   4.430  13.175
  199    HA   ILE  32           HA       ILE  32   2.409   6.459  14.121
  200    HB   ILE  32           HB       ILE  32   2.212   3.592  15.054
  201   HG12  ILE  32          1HG1      ILE  32   0.912   6.013  16.291
  202   HG13  ILE  32          2HG1      ILE  32   0.108   5.064  15.046
  203   HG21  ILE  32          1HG2      ILE  32   3.905   4.071  16.407
  204   HG22  ILE  32          2HG2      ILE  32   3.946   5.740  15.841
  205   HG23  ILE  32          3HG2      ILE  32   2.888   5.289  17.177
  206   HD11  ILE  32          1HD1      ILE  32  -0.387   3.407  16.462
  207   HD12  ILE  32          2HD1      ILE  32   1.175   3.498  17.278
  208   HD13  ILE  32          3HD1      ILE  32  -0.111   4.628  17.705
  209    H    CYS  33           H        CYS  33   3.301   3.104  13.282
  210    HA   CYS  33           HA       CYS  33   6.018   3.292  13.421
  211    HB2  CYS  33           1HB      CYS  33   4.261   1.740  11.530
  212    HB3  CYS  33           2HB      CYS  33   6.015   1.586  11.492
  213    H    ALA  34           H        ALA  34   3.983   4.196  10.661
  214    HA   ALA  34           HA       ALA  34   5.777   4.764   8.717
  215    HB1  ALA  34           1HB      ALA  34   3.816   5.391   7.861
  216    HB2  ALA  34           2HB      ALA  34   3.156   5.782   9.450
  217    HB3  ALA  34           3HB      ALA  34   4.128   6.970   8.582
  218    H    ILE  35           H        ILE  35   4.891   7.012  11.337
  219    HA   ILE  35           HA       ILE  35   6.305   9.221  10.822
  220    HB   ILE  35           HB       ILE  35   6.239   7.769  13.466
  221   HG12  ILE  35          1HG1      ILE  35   4.626  10.099  12.404
  222   HG13  ILE  35          2HG1      ILE  35   4.051   8.441  12.543
  223   HG21  ILE  35          1HG2      ILE  35   7.007  10.635  12.936
  224   HG22  ILE  35          2HG2      ILE  35   6.889   9.855  14.512
  225   HG23  ILE  35          3HG2      ILE  35   8.127   9.343  13.366
  226   HD11  ILE  35          1HD1      ILE  35   4.237   8.544  14.946
  227   HD12  ILE  35          2HD1      ILE  35   4.918  10.168  14.847
  228   HD13  ILE  35          3HD1      ILE  35   3.249   9.880  14.356
  229    H    SER  36           H        SER  36   7.778   6.379  12.399
  230    HA   SER  36           HA       SER  36  10.407   7.368  12.382
  231    HB2  SER  36           1HB      SER  36   9.360   4.531  12.449
  232    HB3  SER  36           2HB      SER  36  11.057   4.953  12.676
  233    HG   SER  36           HG       SER  36  10.593   5.883  14.573
  234    H    HIS  37           H        HIS  37   8.741   5.182  10.128
  235    HA   HIS  37           HA       HIS  37  10.857   4.693   8.392
  236    HB2  HIS  37           1HB      HIS  37   7.883   4.841   7.896
  237    HB3  HIS  37           2HB      HIS  37   9.032   4.335   6.660
  238    HD2  HIS  37           2HD      HIS  37   6.962   2.797   9.408
  239    HE1  HIS  37           1HE      HIS  37  10.042   0.003   8.568
  240    HE2  HIS  37           2HE      HIS  37   7.804   0.365   9.665
  241    H    THR  38           H        THR  38   8.209   7.012   7.800
  242    HA   THR  38           HA       THR  38   9.217   8.296   5.609
  243    HB   THR  38           HB       THR  38   8.009  10.362   6.439
  244    HG1  THR  38           1HG      THR  38   7.034  10.296   8.392
  245   HG21  THR  38          1HG2      THR  38   7.039   8.150   5.286
  246   HG22  THR  38          2HG2      THR  38   6.015   9.512   5.742
  247   HG23  THR  38          3HG2      THR  38   6.125   8.101   6.793
  248    H    HIS  39           H        HIS  39  10.161   8.723   8.960
  249    HA   HIS  39           HA       HIS  39  11.746  11.058   8.511
  250    HB2  HIS  39           1HB      HIS  39  10.745  10.300  10.728
  251    HB3  HIS  39           2HB      HIS  39  12.049   9.120  10.803
  252    HD1  HIS  39           1HD      HIS  39  14.546  10.381  10.461
  253    HD2  HIS  39           2HD      HIS  39  11.382  12.582  12.011
  254    HE1  HIS  39           1HE      HIS  39  15.601  12.335  11.642
  255    H    ARG  40           H        ARG  40  12.376   7.593   8.621
  256    HA   ARG  40           HA       ARG  40  15.229   7.951   8.313
  257    HB2  ARG  40           1HB      ARG  40  13.412   5.561   8.470
  258    HB3  ARG  40           2HB      ARG  40  15.095   5.388   7.990
  259    HG2  ARG  40           1HG      ARG  40  15.875   6.143  10.082
  260    HG3  ARG  40           2HG      ARG  40  14.278   6.735  10.545
  261    HD2  ARG  40           1HD      ARG  40  14.499   4.735  11.725
  262    HD3  ARG  40           2HD      ARG  40  13.525   4.295  10.323
  263    HE   ARG  40           HE       ARG  40  16.364   3.905   9.988
  264   HH11  ARG  40          2HH1      ARG  40  13.349   2.499  11.014
  265   HH12  ARG  40          1HH1      ARG  40  13.886   0.866  10.796
  266   HH21  ARG  40          2HH2      ARG  40  17.083   1.759   9.697
  267   HH22  ARG  40          1HH2      ARG  40  16.010   0.447  10.048
  268    H    ALA  41           H        ALA  41  13.098   8.777   6.251
  269    HA   ALA  41           HA       ALA  41  12.964   8.950   3.986
  270    HB1  ALA  41           1HB      ALA  41  15.254   9.564   3.985
  271    HB2  ALA  41           2HB      ALA  41  15.772   7.895   4.219
  272    HB3  ALA  41           3HB      ALA  41  15.047   8.386   2.689
  273    H    HIS  42           H        HIS  42  11.744   6.728   5.113
  274    HA   HIS  42           HA       HIS  42  12.375   4.491   3.332
  275    HB2  HIS  42           1HB      HIS  42  10.967   4.770   5.935
  276    HB3  HIS  42           2HB      HIS  42  10.404   3.501   4.852
  277    HD2  HIS  42           2HD      HIS  42  13.915   4.529   6.386
  278    HE1  HIS  42           1HE      HIS  42  13.687   0.310   6.001
  279    HE2  HIS  42           2HE      HIS  42  15.044   2.250   6.859
  280    H    THR  43           H        THR  43  10.958   3.696   1.831
  281    HA   THR  43           HA       THR  43   8.946   5.518   0.879
  282    HB   THR  43           HB       THR  43   9.634   2.753  -0.135
  283    HG1  THR  43           1HG      THR  43  10.762   5.287  -0.541
  284   HG21  THR  43          1HG2      THR  43   7.761   4.865  -1.016
  285   HG22  THR  43          2HG2      THR  43   7.689   3.117  -1.245
  286   HG23  THR  43          3HG2      THR  43   8.726   4.101  -2.278
  287    H    VAL  44           H        VAL  44   6.876   5.523   1.439
  288    HA   VAL  44           HA       VAL  44   5.568   3.010   2.174
  289    HB   VAL  44           HB       VAL  44   5.465   5.505   3.875
  290   HG11  VAL  44          1HG1      VAL  44   3.987   2.891   4.166
  291   HG12  VAL  44          2HG1      VAL  44   3.983   4.208   5.340
  292   HG13  VAL  44          3HG1      VAL  44   3.278   4.449   3.741
  293   HG21  VAL  44          1HG2      VAL  44   6.668   4.359   5.501
  294   HG22  VAL  44          2HG2      VAL  44   6.330   2.784   4.784
  295   HG23  VAL  44          3HG2      VAL  44   7.470   3.880   4.005
  296    H    VAL  45           H        VAL  45   3.498   2.855   1.489
  297    HA   VAL  45           HA       VAL  45   2.120   5.278   0.580
  298    HB   VAL  45           HB       VAL  45   1.462   4.282  -1.517
  299   HG11  VAL  45          1HG1      VAL  45   4.104   3.700  -2.171
  300   HG12  VAL  45          2HG1      VAL  45   3.308   5.272  -2.270
  301   HG13  VAL  45          3HG1      VAL  45   4.212   4.828  -0.821
  302   HG21  VAL  45          1HG2      VAL  45   3.227   1.926  -0.887
  303   HG22  VAL  45          2HG2      VAL  45   1.483   1.924  -0.623
  304   HG23  VAL  45          3HG2      VAL  45   2.128   2.126  -2.252
  305    HA   PRO  46           HA       PRO  46  -1.384   3.465   2.519
  306    HB2  PRO  46           1HB      PRO  46  -3.376   4.659   1.113
  307    HB3  PRO  46           2HB      PRO  46  -2.392   5.518   2.305
  308    HG2  PRO  46           1HG      PRO  46  -2.144   5.474  -0.678
  309    HG3  PRO  46           2HG      PRO  46  -2.018   6.849   0.434
  310    HD2  PRO  46           1HD      PRO  46   0.155   5.616  -0.612
  311    HD3  PRO  46           2HD      PRO  46   0.158   6.346   1.006
  312    H    LEU  47           H        LEU  47  -2.471   1.600   2.319
  313    HA   LEU  47           HA       LEU  47  -2.318   0.079  -0.074
  314    HB2  LEU  47           1HB      LEU  47  -3.441  -0.284   2.637
  315    HB3  LEU  47           2HB      LEU  47  -4.129  -1.283   1.358
  316    HG   LEU  47           HG       LEU  47  -1.779  -2.047   0.850
  317   HD11  LEU  47          1HD1      LEU  47  -0.120  -0.922   1.808
  318   HD12  LEU  47          2HD1      LEU  47  -0.576  -1.692   3.327
  319   HD13  LEU  47          3HD1      LEU  47  -1.223  -0.104   2.915
  320   HD21  LEU  47          1HD2      LEU  47  -3.353  -2.672   3.282
  321   HD22  LEU  47          2HD2      LEU  47  -1.728  -3.348   3.171
  322   HD23  LEU  47          3HD2      LEU  47  -2.917  -3.699   1.916
  323    H    SER  48           H        SER  48  -5.165   1.289   1.708
  324    HA   SER  48           HA       SER  48  -6.801   0.947  -0.675
  325    HB2  SER  48           1HB      SER  48  -7.435   0.434   1.843
  326    HB3  SER  48           2HB      SER  48  -7.870   2.143   1.848
  327    HG   SER  48           HG       SER  48  -8.976   0.025   0.374
  328    H    GLY  49           H        GLY  49  -4.703   2.988  -0.613
  329    HA2  GLY  49           1HA      GLY  49  -4.402   5.166  -1.271
  330    HA3  GLY  49           2HA      GLY  49  -6.050   5.086  -1.875
  331    HA   PRO  50           HA       PRO  50  -5.640   8.067   1.770
  332    HB2  PRO  50           1HB      PRO  50  -6.156  10.350   0.395
  333    HB3  PRO  50           2HB      PRO  50  -4.523   9.708   0.614
  334    HG2  PRO  50           1HG      PRO  50  -6.350   9.472  -1.746
  335    HG3  PRO  50           2HG      PRO  50  -4.610   9.811  -1.707
  336    HD2  PRO  50           1HD      PRO  50  -5.604   7.355  -2.266
  337    HD3  PRO  50           2HD      PRO  50  -4.056   7.591  -1.429
  338    H    SER  51           H        SER  51  -7.385   9.083   2.802
  339    HA   SER  51           HA       SER  51 -10.000   8.356   1.706
  340    HB2  SER  51           1HB      SER  51 -10.838   8.696   3.991
  341    HB3  SER  51           2HB      SER  51  -9.472   7.581   3.983
  342    HG   SER  51           HG       SER  51  -8.424   9.947   4.279
  343    H    SER  52           H        SER  52 -11.814   9.885   2.085
  344    HA   SER  52           HA       SER  52 -11.155  12.446   0.998
  345    HB2  SER  52           1HB      SER  52 -13.221  11.361   0.332
  346    HB3  SER  52           2HB      SER  52 -13.779  11.320   2.004
  347    HG   SER  52           HG       SER  52 -13.899  13.565   1.980
  348    H    GLY  53           H        GLY  53 -11.523  14.498   1.932
  349    HA2  GLY  53           1HA      GLY  53 -11.536  16.064   3.614
  350    HA3  GLY  53           2HA      GLY  53 -12.344  14.870   4.619
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -25.017 -13.535  10.177
    2    HA2  GLY   1           1HA      GLY   1 -23.547 -15.084   8.213
    3    HA3  GLY   1           2HA      GLY   1 -22.996 -13.621   9.017
    4    H    SER   2           H        SER   2 -22.442 -16.843   8.720
    5    HA   SER   2           HA       SER   2 -21.318 -17.059  11.435
    6    HB2  SER   2           1HB      SER   2 -22.228 -19.216   9.520
    7    HB3  SER   2           2HB      SER   2 -21.352 -19.540  11.016
    8    HG   SER   2           HG       SER   2 -23.922 -18.399  10.702
    9    H    SER   3           H        SER   3 -20.703 -18.294   8.143
   10    HA   SER   3           HA       SER   3 -17.836 -18.291   8.721
   11    HB2  SER   3           1HB      SER   3 -17.656 -19.564   6.581
   12    HB3  SER   3           2HB      SER   3 -18.694 -20.350   7.771
   13    HG   SER   3           HG       SER   3 -20.459 -19.794   6.618
   14    H    GLY   4           H        GLY   4 -16.322 -17.253   7.378
   15    HA2  GLY   4           1HA      GLY   4 -16.312 -15.946   5.129
   16    HA3  GLY   4           2HA      GLY   4 -17.427 -14.906   6.002
   17    H    SER   5           H        SER   5 -14.124 -16.056   5.808
   18    HA   SER   5           HA       SER   5 -12.910 -14.896   7.952
   19    HB2  SER   5           1HB      SER   5 -11.816 -16.218   6.080
   20    HB3  SER   5           2HB      SER   5 -11.756 -14.712   5.165
   21    HG   SER   5           HG       SER   5 -10.200 -14.002   6.416
   22    H    SER   6           H        SER   6 -12.471 -12.900   8.672
   23    HA   SER   6           HA       SER   6 -13.450 -10.645   7.075
   24    HB2  SER   6           1HB      SER   6 -13.763  -9.462   9.081
   25    HB3  SER   6           2HB      SER   6 -14.210 -11.115   9.502
   26    HG   SER   6           HG       SER   6 -12.824 -10.724  11.064
   27    H    GLY   7           H        GLY   7 -12.199  -8.820   6.675
   28    HA2  GLY   7           1HA      GLY   7  -9.345  -9.328   6.577
   29    HA3  GLY   7           2HA      GLY   7 -10.190  -7.966   5.856
   30    H    GLU   8           H        GLU   8  -8.687  -9.216   8.746
   31    HA   GLU   8           HA       GLU   8  -8.860  -6.532   9.951
   32    HB2  GLU   8           1HB      GLU   8  -8.766  -9.272  11.176
   33    HB3  GLU   8           2HB      GLU   8  -8.249  -7.865  12.094
   34    HG2  GLU   8           1HG      GLU   8 -10.379  -6.934  12.108
   35    HG3  GLU   8           2HG      GLU   8 -10.925  -7.929  10.760
   36    H    SER   9           H        SER   9  -7.043  -5.443   9.599
   37    HA   SER   9           HA       SER   9  -4.482  -6.859   9.946
   38    HB2  SER   9           1HB      SER   9  -5.175  -6.063   7.551
   39    HB3  SER   9           2HB      SER   9  -4.720  -4.467   8.149
   40    HG   SER   9           HG       SER   9  -3.039  -5.830   7.087
   41    H    LEU  10           H        LEU  10  -3.713  -6.219  11.854
   42    HA   LEU  10           HA       LEU  10  -3.599  -3.331  12.394
   43    HB2  LEU  10           1HB      LEU  10  -4.122  -5.467  14.454
   44    HB3  LEU  10           2HB      LEU  10  -4.011  -3.733  14.747
   45    HG   LEU  10           HG       LEU  10  -6.109  -4.789  12.897
   46   HD11  LEU  10          1HD1      LEU  10  -5.895  -5.356  15.745
   47   HD12  LEU  10          2HD1      LEU  10  -6.964  -6.049  14.526
   48   HD13  LEU  10          3HD1      LEU  10  -7.391  -4.528  15.310
   49   HD21  LEU  10          1HD2      LEU  10  -6.040  -2.465  12.887
   50   HD22  LEU  10          2HD2      LEU  10  -5.698  -2.368  14.615
   51   HD23  LEU  10          3HD2      LEU  10  -7.309  -2.826  14.058
   52    H    CYS  11           H        CYS  11  -1.746  -2.583  13.395
   53    HA   CYS  11           HA       CYS  11   0.660  -3.785  12.851
   54    HB2  CYS  11           1HB      CYS  11   0.066  -1.384  13.740
   55    HB3  CYS  11           2HB      CYS  11   0.419  -2.095  15.312
   56    HA   PRO  12           HA       PRO  12   0.949  -7.138  15.715
   57    HB2  PRO  12           1HB      PRO  12   3.600  -7.637  15.416
   58    HB3  PRO  12           2HB      PRO  12   2.395  -8.089  14.205
   59    HG2  PRO  12           1HG      PRO  12   4.224  -5.720  14.265
   60    HG3  PRO  12           2HG      PRO  12   3.805  -6.775  12.903
   61    HD2  PRO  12           1HD      PRO  12   2.672  -4.343  13.262
   62    HD3  PRO  12           2HD      PRO  12   1.801  -5.702  12.524
   63    H    GLN  13           H        GLN  13   2.132  -4.073  16.184
   64    HA   GLN  13           HA       GLN  13   3.022  -4.753  18.901
   65    HB2  GLN  13           1HB      GLN  13   5.014  -4.268  17.577
   66    HB3  GLN  13           2HB      GLN  13   4.317  -2.740  17.054
   67    HG2  GLN  13           1HG      GLN  13   5.724  -2.050  18.721
   68    HG3  GLN  13           2HG      GLN  13   4.207  -2.230  19.601
   69   HE21  GLN  13          1HE2      GLN  13   6.912  -4.302  18.594
   70   HE22  GLN  13          2HE2      GLN  13   7.112  -5.074  20.126
   71    H    HIS  14           H        HIS  14   1.772  -2.269  16.717
   72    HA   HIS  14           HA       HIS  14   0.819  -0.711  19.003
   73    HB2  HIS  14           1HB      HIS  14   0.794  -0.064  16.048
   74    HB3  HIS  14           2HB      HIS  14   0.284   1.024  17.335
   75    HD2  HIS  14           2HD      HIS  14   2.519   1.692  19.148
   76    HE1  HIS  14           1HE      HIS  14   5.367   1.115  16.056
   77    HE2  HIS  14           2HE      HIS  14   4.971   1.998  18.381
   78    H    HIS  15           H        HIS  15  -0.260  -3.179  17.084
   79    HA   HIS  15           HA       HIS  15  -2.319  -3.936  16.396
   80    HB2  HIS  15           1HB      HIS  15  -2.684  -2.996  19.227
   81    HB3  HIS  15           2HB      HIS  15  -4.017  -3.737  18.347
   82    HD1  HIS  15           1HD      HIS  15  -4.158  -6.199  18.537
   83    HD2  HIS  15           2HD      HIS  15  -0.317  -4.806  19.289
   84    HE1  HIS  15           1HE      HIS  15  -2.829  -8.223  19.216
   85    H    GLU  16           H        GLU  16  -1.812  -1.327  15.424
   86    HA   GLU  16           HA       GLU  16  -4.472  -0.077  15.584
   87    HB2  GLU  16           1HB      GLU  16  -1.727   1.018  15.249
   88    HB3  GLU  16           2HB      GLU  16  -3.032   1.840  14.406
   89    HG2  GLU  16           1HG      GLU  16  -3.057   1.258  17.354
   90    HG3  GLU  16           2HG      GLU  16  -2.473   2.765  16.653
   91    H    ALA  17           H        ALA  17  -5.398   0.766  13.627
   92    HA   ALA  17           HA       ALA  17  -5.544  -0.991  11.526
   93    HB1  ALA  17           1HB      ALA  17  -6.048   1.976  11.569
   94    HB2  ALA  17           2HB      ALA  17  -6.460   0.938  10.203
   95    HB3  ALA  17           3HB      ALA  17  -7.221   0.674  11.772
   96    H    LEU  18           H        LEU  18  -4.225  -1.565   9.933
   97    HA   LEU  18           HA       LEU  18  -1.815   0.004   9.450
   98    HB2  LEU  18           1HB      LEU  18  -2.599  -2.688   8.346
   99    HB3  LEU  18           2HB      LEU  18  -1.013  -1.929   8.233
  100    HG   LEU  18           HG       LEU  18  -2.287  -2.734  10.843
  101   HD11  LEU  18          1HD1      LEU  18  -0.663  -4.641  10.745
  102   HD12  LEU  18          2HD1      LEU  18  -0.423  -4.261   9.040
  103   HD13  LEU  18          3HD1      LEU  18  -2.015  -4.752   9.617
  104   HD21  LEU  18          1HD2      LEU  18  -0.428  -1.981  11.846
  105   HD22  LEU  18          2HD2      LEU  18  -0.217  -1.030  10.375
  106   HD23  LEU  18          3HD2      LEU  18   0.626  -2.569  10.560
  107    H    SER  19           H        SER  19  -2.910   1.741   8.354
  108    HA   SER  19           HA       SER  19  -4.079   1.117   5.754
  109    HB2  SER  19           1HB      SER  19  -3.999   3.553   7.498
  110    HB3  SER  19           2HB      SER  19  -4.334   3.730   5.776
  111    HG   SER  19           HG       SER  19  -6.292   3.435   6.695
  112    H    LEU  20           H        LEU  20  -1.111   1.033   6.575
  113    HA   LEU  20           HA       LEU  20  -0.153   2.368   4.155
  114    HB2  LEU  20           1HB      LEU  20   0.914   2.771   6.932
  115    HB3  LEU  20           2HB      LEU  20   1.908   3.051   5.504
  116    HG   LEU  20           HG       LEU  20  -0.660   4.497   6.156
  117   HD11  LEU  20          1HD1      LEU  20   1.709   4.843   7.416
  118   HD12  LEU  20          2HD1      LEU  20   0.524   6.122   7.156
  119   HD13  LEU  20          3HD1      LEU  20   1.891   5.951   6.055
  120   HD21  LEU  20          1HD2      LEU  20  -0.639   5.257   4.073
  121   HD22  LEU  20          2HD2      LEU  20   0.687   4.152   3.708
  122   HD23  LEU  20          3HD2      LEU  20   1.031   5.796   4.250
  123    H    PHE  21           H        PHE  21   2.016   1.619   3.506
  124    HA   PHE  21           HA       PHE  21   2.917  -0.882   4.679
  125    HB2  PHE  21           1HB      PHE  21   1.284  -1.714   3.121
  126    HB3  PHE  21           2HB      PHE  21   1.903  -0.676   1.840
  127    HD1  PHE  21           1HD      PHE  21   2.521  -3.695   3.827
  128    HD2  PHE  21           2HD      PHE  21   3.863  -1.268   0.598
  129    HE1  PHE  21           1HE      PHE  21   4.025  -5.501   3.099
  130    HE2  PHE  21           2HE      PHE  21   5.367  -3.071  -0.136
  131    HZ   PHE  21           HZ       PHE  21   5.450  -5.191   1.114
  132    H    CYS  22           H        CYS  22   5.048  -0.759   4.829
  133    HA   CYS  22           HA       CYS  22   6.531   1.199   3.329
  134    HB2  CYS  22           1HB      CYS  22   7.016   0.699   5.713
  135    HB3  CYS  22           2HB      CYS  22   7.539  -0.915   5.244
  136    H    TYR  23           H        TYR  23   7.730   0.892   1.555
  137    HA   TYR  23           HA       TYR  23   7.608  -1.643   0.206
  138    HB2  TYR  23           1HB      TYR  23   8.512   1.105  -0.460
  139    HB3  TYR  23           2HB      TYR  23   9.256  -0.212  -1.360
  140    HD1  TYR  23           1HD      TYR  23   7.911  -1.622  -2.842
  141    HD2  TYR  23           2HD      TYR  23   6.186   1.667  -0.767
  142    HE1  TYR  23           1HE      TYR  23   5.955  -1.717  -4.331
  143    HE2  TYR  23           2HE      TYR  23   4.225   1.581  -2.249
  144    HH   TYR  23           HH       TYR  23   4.071   0.346  -5.025
  145    H    GLU  24           H        GLU  24  10.113   0.305   1.762
  146    HA   GLU  24           HA       GLU  24  12.347  -1.191   1.034
  147    HB2  GLU  24           1HB      GLU  24  11.710   0.562   3.380
  148    HB3  GLU  24           2HB      GLU  24  13.220  -0.338   3.347
  149    HG2  GLU  24           1HG      GLU  24  12.297   1.677   1.311
  150    HG3  GLU  24           2HG      GLU  24  13.555   1.906   2.525
  151    H    ASP  25           H        ASP  25  10.359  -1.467   3.978
  152    HA   ASP  25           HA       ASP  25  11.681  -3.938   4.714
  153    HB2  ASP  25           1HB      ASP  25   9.380  -2.455   6.003
  154    HB3  ASP  25           2HB      ASP  25  10.172  -3.876   6.679
  155    H    GLN  26           H        GLN  26   9.463  -3.261   2.469
  156    HA   GLN  26           HA       GLN  26   7.630  -4.316   1.560
  157    HB2  GLN  26           1HB      GLN  26   9.596  -6.524   2.140
  158    HB3  GLN  26           2HB      GLN  26   8.117  -6.802   1.230
  159    HG2  GLN  26           1HG      GLN  26  10.151  -4.736   0.447
  160    HG3  GLN  26           2HG      GLN  26  10.203  -6.404  -0.120
  161   HE21  GLN  26          1HE2      GLN  26   9.641  -3.645  -1.343
  162   HE22  GLN  26          2HE2      GLN  26   8.230  -3.916  -2.301
  163    H    GLU  27           H        GLU  27   7.240  -3.796   4.323
  164    HA   GLU  27           HA       GLU  27   5.444  -6.027   4.983
  165    HB2  GLU  27           1HB      GLU  27   6.027  -5.945   7.298
  166    HB3  GLU  27           2HB      GLU  27   7.524  -6.082   6.387
  167    HG2  GLU  27           1HG      GLU  27   7.989  -3.748   6.690
  168    HG3  GLU  27           2HG      GLU  27   6.421  -3.495   7.453
  169    H    ALA  28           H        ALA  28   3.755  -5.374   6.593
  170    HA   ALA  28           HA       ALA  28   2.675  -2.788   5.810
  171    HB1  ALA  28           1HB      ALA  28   0.641  -3.615   7.056
  172    HB2  ALA  28           2HB      ALA  28   1.119  -4.562   5.647
  173    HB3  ALA  28           3HB      ALA  28   1.499  -5.142   7.269
  174    H    VAL  29           H        VAL  29   2.497  -1.053   7.106
  175    HA   VAL  29           HA       VAL  29   3.091  -1.373   9.969
  176    HB   VAL  29           HB       VAL  29   4.429   0.660   9.967
  177   HG11  VAL  29          1HG1      VAL  29   5.814  -0.717   7.793
  178   HG12  VAL  29          2HG1      VAL  29   6.302  -0.463   9.469
  179   HG13  VAL  29          3HG1      VAL  29   5.222  -1.795   9.056
  180   HG21  VAL  29          1HG2      VAL  29   4.655   0.767   7.025
  181   HG22  VAL  29          2HG2      VAL  29   3.145   1.363   7.715
  182   HG23  VAL  29          3HG2      VAL  29   4.682   2.069   8.215
  183    H    CYS  30           H        CYS  30   2.340   0.425  11.303
  184    HA   CYS  30           HA       CYS  30  -0.216   1.425  10.322
  185    HB2  CYS  30           1HB      CYS  30  -0.774   1.845  12.603
  186    HB3  CYS  30           2HB      CYS  30   0.021   0.275  12.558
  187    H    LEU  31           H        LEU  31  -0.843   3.679  11.035
  188    HA   LEU  31           HA       LEU  31   0.658   5.590   9.760
  189    HB2  LEU  31           1HB      LEU  31  -1.562   6.131  10.269
  190    HB3  LEU  31           2HB      LEU  31  -1.345   5.783  11.983
  191    HG   LEU  31           HG       LEU  31   0.270   7.830  11.911
  192   HD11  LEU  31          1HD1      LEU  31   0.473   8.582   9.794
  193   HD12  LEU  31          2HD1      LEU  31  -1.004   9.455  10.200
  194   HD13  LEU  31          3HD1      LEU  31  -1.094   7.943   9.297
  195   HD21  LEU  31          1HD2      LEU  31  -2.427   7.454  12.562
  196   HD22  LEU  31          2HD2      LEU  31  -2.354   8.979  11.679
  197   HD23  LEU  31          3HD2      LEU  31  -1.357   8.742  13.115
  198    H    ILE  32           H        ILE  32   0.627   4.895  13.250
  199    HA   ILE  32           HA       ILE  32   2.429   6.809  14.103
  200    HB   ILE  32           HB       ILE  32   2.191   3.990  15.161
  201   HG12  ILE  32          1HG1      ILE  32   0.837   6.384  16.352
  202   HG13  ILE  32          2HG1      ILE  32   0.101   5.568  14.977
  203   HG21  ILE  32          1HG2      ILE  32   3.795   4.556  16.585
  204   HG22  ILE  32          2HG2      ILE  32   3.885   6.173  15.890
  205   HG23  ILE  32          3HG2      ILE  32   2.758   5.841  17.204
  206   HD11  ILE  32          1HD1      ILE  32   0.783   4.322  17.630
  207   HD12  ILE  32          2HD1      ILE  32  -0.827   4.749  17.049
  208   HD13  ILE  32          3HD1      ILE  32   0.090   3.473  16.248
  209    H    CYS  33           H        CYS  33   3.118   3.520  12.942
  210    HA   CYS  33           HA       CYS  33   5.886   3.563  13.281
  211    HB2  CYS  33           1HB      CYS  33   4.048   2.059  11.448
  212    HB3  CYS  33           2HB      CYS  33   5.792   1.901  11.266
  213    H    ALA  34           H        ALA  34   4.064   4.163  10.271
  214    HA   ALA  34           HA       ALA  34   5.969   4.822   8.511
  215    HB1  ALA  34           1HB      ALA  34   3.247   5.829   8.984
  216    HB2  ALA  34           2HB      ALA  34   4.268   6.854   7.975
  217    HB3  ALA  34           3HB      ALA  34   3.980   5.175   7.519
  218    H    ILE  35           H        ILE  35   4.712   7.105  10.939
  219    HA   ILE  35           HA       ILE  35   6.016   9.388  10.427
  220    HB   ILE  35           HB       ILE  35   5.790   8.063  13.128
  221   HG12  ILE  35          1HG1      ILE  35   4.129  10.177  11.740
  222   HG13  ILE  35          2HG1      ILE  35   3.651   8.509  12.036
  223   HG21  ILE  35          1HG2      ILE  35   6.628  10.857  12.392
  224   HG22  ILE  35          2HG2      ILE  35   6.047  10.415  13.997
  225   HG23  ILE  35          3HG2      ILE  35   7.513   9.674  13.355
  226   HD11  ILE  35          1HD1      ILE  35   4.163   9.239  14.543
  227   HD12  ILE  35          2HD1      ILE  35   3.739  10.816  13.874
  228   HD13  ILE  35          3HD1      ILE  35   2.593   9.479  13.776
  229    H    SER  36           H        SER  36   7.506   6.667  12.180
  230    HA   SER  36           HA       SER  36  10.069   7.865  12.349
  231    HB2  SER  36           1HB      SER  36  10.841   5.596  12.988
  232    HB3  SER  36           2HB      SER  36   9.406   6.092  13.887
  233    HG   SER  36           HG       SER  36   9.733   4.054  12.065
  234    H    HIS  37           H        HIS  37   8.896   5.179  10.314
  235    HA   HIS  37           HA       HIS  37  11.100   4.725   8.772
  236    HB2  HIS  37           1HB      HIS  37   8.190   4.715   7.969
  237    HB3  HIS  37           2HB      HIS  37   9.477   4.118   6.925
  238    HD2  HIS  37           2HD      HIS  37   8.142   3.237  10.553
  239    HE1  HIS  37           1HE      HIS  37   9.631  -0.264   8.676
  240    HE2  HIS  37           2HE      HIS  37   8.432   0.670  10.684
  241    H    THR  38           H        THR  38   8.457   6.900   7.760
  242    HA   THR  38           HA       THR  38   9.543   8.009   5.533
  243    HB   THR  38           HB       THR  38   8.301  10.105   6.064
  244    HG1  THR  38           1HG      THR  38   6.994   9.256   8.234
  245   HG21  THR  38          1HG2      THR  38   6.041   8.899   6.414
  246   HG22  THR  38          2HG2      THR  38   6.999   7.419   6.355
  247   HG23  THR  38          3HG2      THR  38   6.986   8.516   4.975
  248    H    HIS  39           H        HIS  39  10.295   8.861   8.875
  249    HA   HIS  39           HA       HIS  39  11.907  11.107   8.313
  250    HB2  HIS  39           1HB      HIS  39  10.918  10.201  10.576
  251    HB3  HIS  39           2HB      HIS  39  12.457   9.350  10.675
  252    HD1  HIS  39           1HD      HIS  39  11.319  11.877  12.418
  253    HD2  HIS  39           2HD      HIS  39  14.331  11.867   9.556
  254    HE1  HIS  39           1HE      HIS  39  12.750  13.879  12.940
  255    H    ARG  40           H        ARG  40  12.579   7.665   8.442
  256    HA   ARG  40           HA       ARG  40  15.435   8.074   8.131
  257    HB2  ARG  40           1HB      ARG  40  13.813   5.521   8.116
  258    HB3  ARG  40           2HB      ARG  40  15.569   5.622   8.152
  259    HG2  ARG  40           1HG      ARG  40  14.033   7.002  10.289
  260    HG3  ARG  40           2HG      ARG  40  14.165   5.243  10.342
  261    HD2  ARG  40           1HD      ARG  40  16.572   5.379  10.329
  262    HD3  ARG  40           2HD      ARG  40  16.507   7.128  10.111
  263    HE   ARG  40           HE       ARG  40  15.161   6.788  12.411
  264   HH11  ARG  40          2HH1      ARG  40  18.239   5.597  11.303
  265   HH12  ARG  40          1HH1      ARG  40  18.935   5.542  12.888
  266   HH21  ARG  40          2HH2      ARG  40  16.066   6.720  14.503
  267   HH22  ARG  40          1HH2      ARG  40  17.698   6.180  14.708
  268    H    ALA  41           H        ALA  41  13.322   8.827   6.065
  269    HA   ALA  41           HA       ALA  41  13.198   8.944   3.794
  270    HB1  ALA  41           1HB      ALA  41  15.815   7.487   3.621
  271    HB2  ALA  41           2HB      ALA  41  15.154   8.710   2.535
  272    HB3  ALA  41           3HB      ALA  41  15.723   9.171   4.139
  273    H    HIS  42           H        HIS  42  11.884   6.825   5.036
  274    HA   HIS  42           HA       HIS  42  12.346   4.512   3.297
  275    HB2  HIS  42           1HB      HIS  42  11.039   4.915   5.942
  276    HB3  HIS  42           2HB      HIS  42  10.419   3.625   4.915
  277    HD2  HIS  42           2HD      HIS  42  14.117   4.605   5.987
  278    HE1  HIS  42           1HE      HIS  42  13.571   0.412   6.322
  279    HE2  HIS  42           2HE      HIS  42  15.153   2.339   6.681
  280    H    THR  43           H        THR  43  10.914   3.857   1.782
  281    HA   THR  43           HA       THR  43   8.864   5.714   0.985
  282    HB   THR  43           HB       THR  43   9.524   3.011  -0.199
  283    HG1  THR  43           1HG      THR  43  11.282   4.565  -0.214
  284   HG21  THR  43          1HG2      THR  43   7.820   3.368  -1.586
  285   HG22  THR  43          2HG2      THR  43   8.538   4.899  -2.086
  286   HG23  THR  43          3HG2      THR  43   7.425   4.851  -0.719
  287    H    VAL  44           H        VAL  44   6.749   5.605   1.397
  288    HA   VAL  44           HA       VAL  44   5.540   3.058   2.164
  289    HB   VAL  44           HB       VAL  44   5.125   5.530   3.844
  290   HG11  VAL  44          1HG1      VAL  44   3.325   4.383   4.494
  291   HG12  VAL  44          2HG1      VAL  44   3.867   2.915   3.678
  292   HG13  VAL  44          3HG1      VAL  44   4.447   3.288   5.302
  293   HG21  VAL  44          1HG2      VAL  44   6.439   4.296   5.577
  294   HG22  VAL  44          2HG2      VAL  44   6.921   3.156   4.320
  295   HG23  VAL  44          3HG2      VAL  44   7.390   4.852   4.199
  296    H    VAL  45           H        VAL  45   3.480   2.828   1.468
  297    HA   VAL  45           HA       VAL  45   2.074   5.209   0.468
  298    HB   VAL  45           HB       VAL  45   1.359   4.062  -1.526
  299   HG11  VAL  45          1HG1      VAL  45   3.455   3.915  -2.724
  300   HG12  VAL  45          2HG1      VAL  45   3.520   5.253  -1.575
  301   HG13  VAL  45          3HG1      VAL  45   4.340   3.735  -1.210
  302   HG21  VAL  45          1HG2      VAL  45   1.196   1.804  -0.687
  303   HG22  VAL  45          2HG2      VAL  45   2.247   1.825  -2.103
  304   HG23  VAL  45          3HG2      VAL  45   2.947   1.716  -0.488
  305    HA   PRO  46           HA       PRO  46  -1.410   3.616   2.623
  306    HB2  PRO  46           1HB      PRO  46  -3.418   4.707   1.158
  307    HB3  PRO  46           2HB      PRO  46  -2.401   5.654   2.249
  308    HG2  PRO  46           1HG      PRO  46  -2.217   5.346  -0.723
  309    HG3  PRO  46           2HG      PRO  46  -2.052   6.811   0.263
  310    HD2  PRO  46           1HD      PRO  46   0.084   5.465  -0.715
  311    HD3  PRO  46           2HD      PRO  46   0.130   6.334   0.833
  312    H    LEU  47           H        LEU  47  -2.392   1.694   2.607
  313    HA   LEU  47           HA       LEU  47  -2.368   0.019   0.321
  314    HB2  LEU  47           1HB      LEU  47  -3.390  -0.171   3.102
  315    HB3  LEU  47           2HB      LEU  47  -4.029  -1.306   1.914
  316    HG   LEU  47           HG       LEU  47  -1.482  -1.750   1.440
  317   HD11  LEU  47          1HD1      LEU  47  -0.528  -1.676   3.960
  318   HD12  LEU  47          2HD1      LEU  47  -1.485  -0.196   3.939
  319   HD13  LEU  47          3HD1      LEU  47  -0.207  -0.436   2.748
  320   HD21  LEU  47          1HD2      LEU  47  -2.653  -3.595   2.114
  321   HD22  LEU  47          2HD2      LEU  47  -3.281  -2.808   3.562
  322   HD23  LEU  47          3HD2      LEU  47  -1.608  -3.366   3.516
  323    H    SER  48           H        SER  48  -5.015   1.622   2.077
  324    HA   SER  48           HA       SER  48  -6.934   0.841   0.054
  325    HB2  SER  48           1HB      SER  48  -7.193   2.537   2.546
  326    HB3  SER  48           2HB      SER  48  -8.537   2.154   1.470
  327    HG   SER  48           HG       SER  48  -7.019   0.009   2.360
  328    H    GLY  49           H        GLY  49  -4.579   2.949  -0.127
  329    HA2  GLY  49           1HA      GLY  49  -6.205   5.101  -1.325
  330    HA3  GLY  49           2HA      GLY  49  -4.569   5.305  -0.716
  331    HA   PRO  50           HA       PRO  50  -4.478   3.017  -5.021
  332    HB2  PRO  50           1HB      PRO  50  -6.560   3.688  -6.629
  333    HB3  PRO  50           2HB      PRO  50  -6.582   2.274  -5.569
  334    HG2  PRO  50           1HG      PRO  50  -7.792   4.978  -5.143
  335    HG3  PRO  50           2HG      PRO  50  -8.481   3.379  -4.808
  336    HD2  PRO  50           1HD      PRO  50  -7.396   4.932  -2.873
  337    HD3  PRO  50           2HD      PRO  50  -7.328   3.159  -2.824
  338    H    SER  51           H        SER  51  -6.222   6.132  -5.035
  339    HA   SER  51           HA       SER  51  -3.922   7.495  -6.102
  340    HB2  SER  51           1HB      SER  51  -4.790   8.138  -8.206
  341    HB3  SER  51           2HB      SER  51  -5.117   6.408  -8.098
  342    HG   SER  51           HG       SER  51  -6.955   8.501  -7.543
  343    H    SER  52           H        SER  52  -4.031   9.717  -5.850
  344    HA   SER  52           HA       SER  52  -6.487  10.759  -4.601
  345    HB2  SER  52           1HB      SER  52  -4.458  10.298  -3.044
  346    HB3  SER  52           2HB      SER  52  -3.758  11.732  -3.793
  347    HG   SER  52           HG       SER  52  -4.855  12.637  -2.206
  348    H    GLY  53           H        GLY  53  -6.007  10.989  -7.313
  349    HA2  GLY  53           1HA      GLY  53  -4.743  13.518  -7.888
  350    HA3  GLY  53           2HA      GLY  53  -5.607  12.498  -9.029
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -10.962  -3.863  23.442
    2    HA2  GLY   1           1HA      GLY   1 -12.582  -6.314  23.766
    3    HA3  GLY   1           2HA      GLY   1 -13.297  -4.752  23.397
    4    H    SER   2           H        SER   2 -12.621  -7.600  22.056
    5    HA   SER   2           HA       SER   2 -12.181  -6.412  19.397
    6    HB2  SER   2           1HB      SER   2 -11.003  -8.929  20.569
    7    HB3  SER   2           2HB      SER   2 -11.078  -8.655  18.829
    8    HG   SER   2           HG       SER   2  -9.106  -7.920  19.586
    9    H    SER   3           H        SER   3 -14.396  -6.358  18.966
   10    HA   SER   3           HA       SER   3 -15.531  -8.960  18.269
   11    HB2  SER   3           1HB      SER   3 -17.630  -8.544  19.339
   12    HB3  SER   3           2HB      SER   3 -16.380  -8.261  20.549
   13    HG   SER   3           HG       SER   3 -18.064  -6.619  20.404
   14    H    GLY   4           H        GLY   4 -16.209  -8.909  16.235
   15    HA2  GLY   4           1HA      GLY   4 -16.806  -8.091  14.170
   16    HA3  GLY   4           2HA      GLY   4 -17.936  -7.101  15.081
   17    H    SER   5           H        SER   5 -14.562  -7.228  13.993
   18    HA   SER   5           HA       SER   5 -14.464  -4.296  14.108
   19    HB2  SER   5           1HB      SER   5 -12.192  -6.260  13.727
   20    HB3  SER   5           2HB      SER   5 -12.039  -4.520  13.966
   21    HG   SER   5           HG       SER   5 -12.874  -6.494  15.802
   22    H    SER   6           H        SER   6 -13.535  -3.123  12.321
   23    HA   SER   6           HA       SER   6 -14.173  -4.389   9.748
   24    HB2  SER   6           1HB      SER   6 -15.342  -2.238  10.497
   25    HB3  SER   6           2HB      SER   6 -13.798  -1.432  10.222
   26    HG   SER   6           HG       SER   6 -14.083  -2.700   8.058
   27    H    GLY   7           H        GLY   7 -11.730  -5.061  10.899
   28    HA2  GLY   7           1HA      GLY   7  -9.867  -3.714   9.045
   29    HA3  GLY   7           2HA      GLY   7  -9.401  -4.076  10.701
   30    H    GLU   8           H        GLU   8  -8.111  -4.970   8.281
   31    HA   GLU   8           HA       GLU   8  -8.683  -7.850   8.314
   32    HB2  GLU   8           1HB      GLU   8  -7.429  -6.012   6.316
   33    HB3  GLU   8           2HB      GLU   8  -6.985  -7.713   6.306
   34    HG2  GLU   8           1HG      GLU   8  -8.751  -7.328   4.726
   35    HG3  GLU   8           2HG      GLU   8  -9.355  -8.312   6.058
   36    H    SER   9           H        SER   9  -6.336  -5.472   9.183
   37    HA   SER   9           HA       SER   9  -4.774  -7.441  10.584
   38    HB2  SER   9           1HB      SER   9  -2.629  -6.839   9.468
   39    HB3  SER   9           2HB      SER   9  -3.753  -7.670   8.393
   40    HG   SER   9           HG       SER   9  -3.899  -4.897   8.441
   41    H    LEU  10           H        LEU  10  -3.278  -6.511  12.063
   42    HA   LEU  10           HA       LEU  10  -3.368  -3.596  12.338
   43    HB2  LEU  10           1HB      LEU  10  -3.837  -5.449  14.662
   44    HB3  LEU  10           2HB      LEU  10  -3.935  -3.689  14.653
   45    HG   LEU  10           HG       LEU  10  -5.804  -5.327  12.979
   46   HD11  LEU  10          1HD1      LEU  10  -6.081  -6.300  15.132
   47   HD12  LEU  10          2HD1      LEU  10  -7.411  -5.167  14.892
   48   HD13  LEU  10          3HD1      LEU  10  -6.047  -4.722  15.918
   49   HD21  LEU  10          1HD2      LEU  10  -5.404  -2.562  13.550
   50   HD22  LEU  10          2HD2      LEU  10  -6.979  -3.052  14.173
   51   HD23  LEU  10          3HD2      LEU  10  -6.583  -3.313  12.474
   52    H    CYS  11           H        CYS  11  -1.557  -2.683  13.240
   53    HA   CYS  11           HA       CYS  11   0.895  -3.811  12.928
   54    HB2  CYS  11           1HB      CYS  11   0.125  -1.387  13.683
   55    HB3  CYS  11           2HB      CYS  11   0.555  -2.001  15.277
   56    HA   PRO  12           HA       PRO  12   1.159  -6.973  16.014
   57    HB2  PRO  12           1HB      PRO  12   3.812  -7.484  15.745
   58    HB3  PRO  12           2HB      PRO  12   2.604  -8.029  14.574
   59    HG2  PRO  12           1HG      PRO  12   4.425  -5.656  14.453
   60    HG3  PRO  12           2HG      PRO  12   4.006  -6.811  13.174
   61    HD2  PRO  12           1HD      PRO  12   2.866  -4.362  13.355
   62    HD3  PRO  12           2HD      PRO  12   1.998  -5.775  12.723
   63    H    GLN  13           H        GLN  13   2.530  -3.898  16.172
   64    HA   GLN  13           HA       GLN  13   3.439  -4.381  18.932
   65    HB2  GLN  13           1HB      GLN  13   4.656  -2.796  16.726
   66    HB3  GLN  13           2HB      GLN  13   4.795  -2.159  18.360
   67    HG2  GLN  13           1HG      GLN  13   5.676  -4.488  18.977
   68    HG3  GLN  13           2HG      GLN  13   5.886  -4.710  17.240
   69   HE21  GLN  13          1HE2      GLN  13   8.121  -4.944  18.443
   70   HE22  GLN  13          2HE2      GLN  13   9.103  -3.524  18.379
   71    H    HIS  14           H        HIS  14   1.958  -2.072  16.699
   72    HA   HIS  14           HA       HIS  14   1.074  -0.402  18.915
   73    HB2  HIS  14           1HB      HIS  14   0.755  -0.110  15.923
   74    HB3  HIS  14           2HB      HIS  14   0.146   1.048  17.102
   75    HD2  HIS  14           2HD      HIS  14   2.428   2.045  18.805
   76    HE1  HIS  14           1HE      HIS  14   5.042   1.805  15.473
   77    HE2  HIS  14           2HE      HIS  14   4.732   2.678  17.815
   78    H    HIS  15           H        HIS  15  -0.080  -2.972  16.992
   79    HA   HIS  15           HA       HIS  15  -2.104  -3.995  16.766
   80    HB2  HIS  15           1HB      HIS  15  -2.534  -2.718  19.475
   81    HB3  HIS  15           2HB      HIS  15  -3.538  -3.994  18.792
   82    HD1  HIS  15           1HD      HIS  15  -1.363  -3.858  21.349
   83    HD2  HIS  15           2HD      HIS  15  -1.243  -6.081  17.841
   84    HE1  HIS  15           1HE      HIS  15   0.141  -5.812  21.843
   85    H    GLU  16           H        GLU  16  -1.931  -1.556  15.434
   86    HA   GLU  16           HA       GLU  16  -4.702  -0.582  15.662
   87    HB2  GLU  16           1HB      GLU  16  -2.146   0.931  15.383
   88    HB3  GLU  16           2HB      GLU  16  -3.576   1.561  14.577
   89    HG2  GLU  16           1HG      GLU  16  -3.262   1.015  17.519
   90    HG3  GLU  16           2HG      GLU  16  -3.333   2.592  16.735
   91    H    ALA  17           H        ALA  17  -5.717   0.058  13.700
   92    HA   ALA  17           HA       ALA  17  -5.594  -1.628  11.591
   93    HB1  ALA  17           1HB      ALA  17  -6.617   0.179  10.213
   94    HB2  ALA  17           2HB      ALA  17  -7.386  -0.054  11.783
   95    HB3  ALA  17           3HB      ALA  17  -6.288   1.303  11.532
   96    H    LEU  18           H        LEU  18  -4.339  -1.997   9.859
   97    HA   LEU  18           HA       LEU  18  -1.954  -0.326   9.540
   98    HB2  LEU  18           1HB      LEU  18  -2.607  -3.092   8.540
   99    HB3  LEU  18           2HB      LEU  18  -1.116  -2.228   8.169
  100    HG   LEU  18           HG       LEU  18  -1.977  -2.958  10.964
  101   HD11  LEU  18          1HD1      LEU  18  -0.551  -4.843  10.868
  102   HD12  LEU  18          2HD1      LEU  18   0.076  -4.379   9.287
  103   HD13  LEU  18          3HD1      LEU  18  -1.591  -4.932   9.446
  104   HD21  LEU  18          1HD2      LEU  18  -0.266  -1.055  10.339
  105   HD22  LEU  18          2HD2      LEU  18   0.826  -2.423  10.119
  106   HD23  LEU  18          3HD2      LEU  18   0.044  -2.160  11.679
  107    H    SER  19           H        SER  19  -3.027   1.375   8.416
  108    HA   SER  19           HA       SER  19  -4.081   0.719   5.765
  109    HB2  SER  19           1HB      SER  19  -4.116   3.323   7.310
  110    HB3  SER  19           2HB      SER  19  -4.854   3.073   5.729
  111    HG   SER  19           HG       SER  19  -6.044   2.734   7.956
  112    H    LEU  20           H        LEU  20  -1.235   0.547   6.377
  113    HA   LEU  20           HA       LEU  20  -0.279   2.317   4.259
  114    HB2  LEU  20           1HB      LEU  20   0.660   2.282   7.079
  115    HB3  LEU  20           2HB      LEU  20   1.862   2.494   5.807
  116    HG   LEU  20           HG       LEU  20  -0.538   4.275   6.227
  117   HD11  LEU  20          1HD1      LEU  20   1.290   5.918   6.899
  118   HD12  LEU  20          2HD1      LEU  20   2.322   4.504   7.109
  119   HD13  LEU  20          3HD1      LEU  20   0.853   4.673   8.070
  120   HD21  LEU  20          1HD2      LEU  20   0.850   5.775   4.712
  121   HD22  LEU  20          2HD2      LEU  20   0.057   4.392   3.957
  122   HD23  LEU  20          3HD2      LEU  20   1.783   4.330   4.320
  123    H    PHE  21           H        PHE  21   2.233   1.721   3.961
  124    HA   PHE  21           HA       PHE  21   2.960  -0.982   4.447
  125    HB2  PHE  21           1HB      PHE  21   1.213  -1.340   2.721
  126    HB3  PHE  21           2HB      PHE  21   2.130  -0.324   1.614
  127    HD1  PHE  21           1HD      PHE  21   2.251  -3.477   3.545
  128    HD2  PHE  21           2HD      PHE  21   3.885  -1.206   0.338
  129    HE1  PHE  21           1HE      PHE  21   3.528  -5.446   2.805
  130    HE2  PHE  21           2HE      PHE  21   5.163  -3.171  -0.407
  131    HZ   PHE  21           HZ       PHE  21   4.985  -5.295   0.826
  132    H    CYS  22           H        CYS  22   5.109  -1.085   4.409
  133    HA   CYS  22           HA       CYS  22   6.582   1.115   3.166
  134    HB2  CYS  22           1HB      CYS  22   7.013   0.584   5.546
  135    HB3  CYS  22           2HB      CYS  22   7.551  -1.024   5.073
  136    H    TYR  23           H        TYR  23   7.621   0.865   1.308
  137    HA   TYR  23           HA       TYR  23   7.625  -1.598  -0.095
  138    HB2  TYR  23           1HB      TYR  23   8.648   1.147  -0.582
  139    HB3  TYR  23           2HB      TYR  23   9.384  -0.152  -1.515
  140    HD1  TYR  23           1HD      TYR  23   7.983  -1.525  -3.037
  141    HD2  TYR  23           2HD      TYR  23   6.432   1.899  -1.043
  142    HE1  TYR  23           1HE      TYR  23   6.092  -1.474  -4.609
  143    HE2  TYR  23           2HE      TYR  23   4.536   1.959  -2.609
  144    HH   TYR  23           HH       TYR  23   3.855  -0.619  -4.771
  145    H    GLU  24           H        GLU  24  10.320   0.348   1.202
  146    HA   GLU  24           HA       GLU  24  12.433  -1.281   0.648
  147    HB2  GLU  24           1HB      GLU  24  12.532   0.939   1.802
  148    HB3  GLU  24           2HB      GLU  24  12.052   0.134   3.289
  149    HG2  GLU  24           1HG      GLU  24  14.062  -1.069   3.417
  150    HG3  GLU  24           2HG      GLU  24  14.485  -0.697   1.747
  151    H    ASP  25           H        ASP  25  10.663  -1.393   3.745
  152    HA   ASP  25           HA       ASP  25  11.822  -3.895   4.485
  153    HB2  ASP  25           1HB      ASP  25   9.389  -2.523   5.647
  154    HB3  ASP  25           2HB      ASP  25  10.331  -3.802   6.407
  155    H    GLN  26           H        GLN  26   8.801  -2.898   2.997
  156    HA   GLN  26           HA       GLN  26   7.262  -4.086   1.803
  157    HB2  GLN  26           1HB      GLN  26   9.465  -5.463   1.277
  158    HB3  GLN  26           2HB      GLN  26   8.665  -6.677   2.267
  159    HG2  GLN  26           1HG      GLN  26   8.177  -7.089  -0.041
  160    HG3  GLN  26           2HG      GLN  26   6.707  -6.559   0.775
  161   HE21  GLN  26          1HE2      GLN  26   9.451  -4.708  -0.472
  162   HE22  GLN  26          2HE2      GLN  26   8.528  -3.745  -1.570
  163    H    GLU  27           H        GLU  27   6.917  -3.612   4.543
  164    HA   GLU  27           HA       GLU  27   5.195  -5.882   5.236
  165    HB2  GLU  27           1HB      GLU  27   5.908  -5.938   7.496
  166    HB3  GLU  27           2HB      GLU  27   7.373  -5.950   6.524
  167    HG2  GLU  27           1HG      GLU  27   7.212  -3.341   6.885
  168    HG3  GLU  27           2HG      GLU  27   6.290  -3.838   8.303
  169    H    ALA  28           H        ALA  28   3.190  -5.272   5.722
  170    HA   ALA  28           HA       ALA  28   2.250  -2.685   5.477
  171    HB1  ALA  28           1HB      ALA  28   0.249  -3.584   6.825
  172    HB2  ALA  28           2HB      ALA  28   0.644  -4.357   5.289
  173    HB3  ALA  28           3HB      ALA  28   1.118  -5.119   6.808
  174    H    VAL  29           H        VAL  29   2.056  -0.961   6.785
  175    HA   VAL  29           HA       VAL  29   2.675  -1.299   9.643
  176    HB   VAL  29           HB       VAL  29   3.965   0.752   9.657
  177   HG11  VAL  29          1HG1      VAL  29   4.801  -1.642   8.632
  178   HG12  VAL  29          2HG1      VAL  29   5.323  -0.500   7.392
  179   HG13  VAL  29          3HG1      VAL  29   5.853  -0.294   9.062
  180   HG21  VAL  29          1HG2      VAL  29   2.615   1.642   7.613
  181   HG22  VAL  29          2HG2      VAL  29   4.283   2.160   7.856
  182   HG23  VAL  29          3HG2      VAL  29   3.913   0.905   6.674
  183    H    CYS  30           H        CYS  30   2.067   0.735  10.900
  184    HA   CYS  30           HA       CYS  30  -0.612   1.545  10.033
  185    HB2  CYS  30           1HB      CYS  30  -1.011   2.134  12.361
  186    HB3  CYS  30           2HB      CYS  30  -0.385   0.492  12.258
  187    H    LEU  31           H        LEU  31  -1.101   3.835  11.265
  188    HA   LEU  31           HA       LEU  31   0.314   5.750   9.709
  189    HB2  LEU  31           1HB      LEU  31  -1.054   7.405  10.960
  190    HB3  LEU  31           2HB      LEU  31  -1.988   6.134  10.175
  191    HG   LEU  31           HG       LEU  31  -1.277   5.788  13.044
  192   HD11  LEU  31          1HD1      LEU  31  -3.803   7.174  12.664
  193   HD12  LEU  31          2HD1      LEU  31  -2.409   8.165  12.238
  194   HD13  LEU  31          3HD1      LEU  31  -2.524   7.451  13.846
  195   HD21  LEU  31          1HD2      LEU  31  -3.226   4.780  11.095
  196   HD22  LEU  31          2HD2      LEU  31  -3.883   5.106  12.699
  197   HD23  LEU  31          3HD2      LEU  31  -2.523   3.998  12.511
  198    H    ILE  32           H        ILE  32   0.636   4.541  12.944
  199    HA   ILE  32           HA       ILE  32   2.188   6.710  13.965
  200    HB   ILE  32           HB       ILE  32   1.981   3.860  14.942
  201   HG12  ILE  32          1HG1      ILE  32   0.680   6.236  16.227
  202   HG13  ILE  32          2HG1      ILE  32  -0.091   5.460  14.848
  203   HG21  ILE  32          1HG2      ILE  32   2.929   6.263  16.485
  204   HG22  ILE  32          2HG2      ILE  32   2.992   4.568  16.965
  205   HG23  ILE  32          3HG2      ILE  32   4.023   5.153  15.659
  206   HD11  ILE  32          1HD1      ILE  32  -0.127   4.697  17.584
  207   HD12  ILE  32          2HD1      ILE  32  -0.972   3.970  16.217
  208   HD13  ILE  32          3HD1      ILE  32   0.647   3.419  16.648
  209    H    CYS  33           H        CYS  33   2.956   3.542  12.580
  210    HA   CYS  33           HA       CYS  33   5.729   3.611  12.992
  211    HB2  CYS  33           1HB      CYS  33   3.943   2.168  11.062
  212    HB3  CYS  33           2HB      CYS  33   5.691   2.064  10.884
  213    H    ALA  34           H        ALA  34   3.814   4.563  10.148
  214    HA   ALA  34           HA       ALA  34   5.602   5.257   8.299
  215    HB1  ALA  34           1HB      ALA  34   3.619   5.965   7.535
  216    HB2  ALA  34           2HB      ALA  34   3.052   6.422   9.142
  217    HB3  ALA  34           3HB      ALA  34   4.085   7.519   8.226
  218    H    ILE  35           H        ILE  35   5.108   6.994  11.319
  219    HA   ILE  35           HA       ILE  35   6.554   9.301  10.852
  220    HB   ILE  35           HB       ILE  35   6.445   7.699  13.411
  221   HG12  ILE  35          1HG1      ILE  35   4.836  10.158  12.792
  222   HG13  ILE  35          2HG1      ILE  35   4.285   8.576  12.250
  223   HG21  ILE  35          1HG2      ILE  35   6.972  10.644  13.198
  224   HG22  ILE  35          2HG2      ILE  35   7.237   9.568  14.569
  225   HG23  ILE  35          3HG2      ILE  35   8.282   9.465  13.152
  226   HD11  ILE  35          1HD1      ILE  35   4.587   9.617  15.032
  227   HD12  ILE  35          2HD1      ILE  35   3.191   8.861  14.263
  228   HD13  ILE  35          3HD1      ILE  35   4.588   7.883  14.712
  229    H    SER  36           H        SER  36   7.913   6.585  12.713
  230    HA   SER  36           HA       SER  36  10.555   7.314  12.585
  231    HB2  SER  36           1HB      SER  36  11.056   4.847  12.850
  232    HB3  SER  36           2HB      SER  36   9.908   5.506  14.015
  233    HG   SER  36           HG       SER  36   8.466   4.712  11.993
  234    H    HIS  37           H        HIS  37   8.710   5.440  10.223
  235    HA   HIS  37           HA       HIS  37  10.846   4.762   8.530
  236    HB2  HIS  37           1HB      HIS  37   7.898   5.123   7.994
  237    HB3  HIS  37           2HB      HIS  37   9.028   4.552   6.771
  238    HD2  HIS  37           2HD      HIS  37   7.147   3.248   9.893
  239    HE1  HIS  37           1HE      HIS  37   9.448   0.050   8.319
  240    HE2  HIS  37           2HE      HIS  37   7.613   0.704   9.916
  241    H    THR  38           H        THR  38   8.313   7.104   7.665
  242    HA   THR  38           HA       THR  38   9.494   8.392   5.615
  243    HB   THR  38           HB       THR  38   8.321  10.490   6.337
  244    HG1  THR  38           1HG      THR  38   8.562  10.040   8.637
  245   HG21  THR  38          1HG2      THR  38   6.936   7.836   6.216
  246   HG22  THR  38          2HG2      THR  38   6.992   9.121   5.010
  247   HG23  THR  38          3HG2      THR  38   6.008   9.315   6.460
  248    H    HIS  39           H        HIS  39  10.349   8.710   8.989
  249    HA   HIS  39           HA       HIS  39  11.992  11.019   8.691
  250    HB2  HIS  39           1HB      HIS  39  11.482   9.010  10.823
  251    HB3  HIS  39           2HB      HIS  39  12.985   9.922  10.921
  252    HD1  HIS  39           1HD      HIS  39  12.254  11.247  12.986
  253    HD2  HIS  39           2HD      HIS  39   9.709  11.692   9.732
  254    HE1  HIS  39           1HE      HIS  39  10.736  13.163  13.577
  255    H    ARG  40           H        ARG  40  12.622   7.535   8.729
  256    HA   ARG  40           HA       ARG  40  15.461   7.881   8.397
  257    HB2  ARG  40           1HB      ARG  40  13.657   5.463   8.301
  258    HB3  ARG  40           2HB      ARG  40  15.392   5.372   8.026
  259    HG2  ARG  40           1HG      ARG  40  14.316   6.628  10.516
  260    HG3  ARG  40           2HG      ARG  40  14.459   4.875  10.377
  261    HD2  ARG  40           1HD      ARG  40  16.795   4.982  10.115
  262    HD3  ARG  40           2HD      ARG  40  16.759   6.713   9.785
  263    HE   ARG  40           HE       ARG  40  16.845   5.452  12.349
  264   HH11  ARG  40          2HH1      ARG  40  15.753   8.275  10.629
  265   HH12  ARG  40          1HH1      ARG  40  15.770   9.295  12.029
  266   HH21  ARG  40          2HH2      ARG  40  16.872   6.785  14.200
  267   HH22  ARG  40          1HH2      ARG  40  16.408   8.447  14.059
  268    H    ALA  41           H        ALA  41  13.180   8.665   6.363
  269    HA   ALA  41           HA       ALA  41  13.135   9.034   4.112
  270    HB1  ALA  41           1HB      ALA  41  15.098   8.995   2.876
  271    HB2  ALA  41           2HB      ALA  41  15.675   9.234   4.526
  272    HB3  ALA  41           3HB      ALA  41  15.762   7.636   3.785
  273    H    HIS  42           H        HIS  42  12.047   6.644   5.318
  274    HA   HIS  42           HA       HIS  42  12.520   4.523   3.388
  275    HB2  HIS  42           1HB      HIS  42  11.067   4.757   5.982
  276    HB3  HIS  42           2HB      HIS  42  10.554   3.502   4.858
  277    HD2  HIS  42           2HD      HIS  42  14.237   4.515   5.927
  278    HE1  HIS  42           1HE      HIS  42  13.666   0.348   6.484
  279    HE2  HIS  42           2HE      HIS  42  15.270   2.277   6.710
  280    H    THR  43           H        THR  43  11.046   3.777   1.899
  281    HA   THR  43           HA       THR  43   9.012   5.691   1.097
  282    HB   THR  43           HB       THR  43   9.812   3.118  -0.273
  283    HG1  THR  43           1HG      THR  43  11.011   5.601  -0.151
  284   HG21  THR  43          1HG2      THR  43   7.674   4.892  -0.728
  285   HG22  THR  43          2HG2      THR  43   8.226   3.579  -1.768
  286   HG23  THR  43          3HG2      THR  43   8.861   5.208  -1.993
  287    H    VAL  44           H        VAL  44   6.996   5.532   1.804
  288    HA   VAL  44           HA       VAL  44   5.801   2.869   2.115
  289    HB   VAL  44           HB       VAL  44   5.596   5.091   4.153
  290   HG11  VAL  44          1HG1      VAL  44   3.673   3.193   3.482
  291   HG12  VAL  44          2HG1      VAL  44   4.455   2.555   4.930
  292   HG13  VAL  44          3HG1      VAL  44   3.737   4.166   4.951
  293   HG21  VAL  44          1HG2      VAL  44   7.100   4.003   5.410
  294   HG22  VAL  44          2HG2      VAL  44   6.440   2.419   5.002
  295   HG23  VAL  44          3HG2      VAL  44   7.566   3.216   3.902
  296    H    VAL  45           H        VAL  45   3.742   2.708   1.404
  297    HA   VAL  45           HA       VAL  45   2.295   5.186   0.759
  298    HB   VAL  45           HB       VAL  45   1.560   4.301  -1.360
  299   HG11  VAL  45          1HG1      VAL  45   3.577   5.544  -1.511
  300   HG12  VAL  45          2HG1      VAL  45   4.540   4.174  -0.954
  301   HG13  VAL  45          3HG1      VAL  45   3.774   4.127  -2.542
  302   HG21  VAL  45          1HG2      VAL  45   1.408   1.965  -0.899
  303   HG22  VAL  45          2HG2      VAL  45   2.548   2.168  -2.229
  304   HG23  VAL  45          3HG2      VAL  45   3.142   1.853  -0.599
  305    HA   PRO  46           HA       PRO  46  -1.139   3.284   2.736
  306    HB2  PRO  46           1HB      PRO  46  -3.178   4.553   1.470
  307    HB3  PRO  46           2HB      PRO  46  -2.146   5.348   2.665
  308    HG2  PRO  46           1HG      PRO  46  -2.012   5.456  -0.323
  309    HG3  PRO  46           2HG      PRO  46  -1.837   6.771   0.853
  310    HD2  PRO  46           1HD      PRO  46   0.289   5.589  -0.337
  311    HD3  PRO  46           2HD      PRO  46   0.357   6.236   1.315
  312    H    LEU  47           H        LEU  47  -2.048   1.350   2.461
  313    HA   LEU  47           HA       LEU  47  -2.489   0.370  -0.265
  314    HB2  LEU  47           1HB      LEU  47  -1.837  -0.867   2.332
  315    HB3  LEU  47           2HB      LEU  47  -2.927  -1.786   1.295
  316    HG   LEU  47           HG       LEU  47  -1.276  -1.931  -0.429
  317   HD11  LEU  47          1HD1      LEU  47  -0.222   0.150  -0.464
  318   HD12  LEU  47          2HD1      LEU  47   1.040  -0.961   0.067
  319   HD13  LEU  47          3HD1      LEU  47   0.215   0.063   1.242
  320   HD21  LEU  47          1HD2      LEU  47   0.731  -2.679   1.302
  321   HD22  LEU  47          2HD2      LEU  47  -0.610  -3.692   0.768
  322   HD23  LEU  47          3HD2      LEU  47  -0.724  -2.806   2.290
  323    H    SER  48           H        SER  48  -4.108  -0.109   2.879
  324    HA   SER  48           HA       SER  48  -6.518  -1.019   2.150
  325    HB2  SER  48           1HB      SER  48  -5.910   1.115   4.200
  326    HB3  SER  48           2HB      SER  48  -7.505   0.382   4.031
  327    HG   SER  48           HG       SER  48  -6.454  -1.665   4.376
  328    H    GLY  49           H        GLY  49  -5.334   2.217   1.573
  329    HA2  GLY  49           1HA      GLY  49  -7.929   3.145   0.631
  330    HA3  GLY  49           2HA      GLY  49  -6.452   4.094   0.724
  331    HA   PRO  50           HA       PRO  50  -7.210   3.182  -3.736
  332    HB2  PRO  50           1HB      PRO  50  -6.527   5.667  -4.587
  333    HB3  PRO  50           2HB      PRO  50  -8.155   5.254  -4.038
  334    HG2  PRO  50           1HG      PRO  50  -5.947   6.623  -2.553
  335    HG3  PRO  50           2HG      PRO  50  -7.676   7.013  -2.595
  336    HD2  PRO  50           1HD      PRO  50  -6.537   5.663  -0.543
  337    HD3  PRO  50           2HD      PRO  50  -8.211   5.378  -1.062
  338    H    SER  51           H        SER  51  -5.688   2.678  -5.262
  339    HA   SER  51           HA       SER  51  -2.893   2.957  -4.428
  340    HB2  SER  51           1HB      SER  51  -2.426   1.152  -6.022
  341    HB3  SER  51           2HB      SER  51  -3.704   0.677  -4.904
  342    HG   SER  51           HG       SER  51  -4.226   1.785  -7.457
  343    H    SER  52           H        SER  52  -2.521   5.087  -5.084
  344    HA   SER  52           HA       SER  52  -2.714   5.609  -7.971
  345    HB2  SER  52           1HB      SER  52  -2.579   7.454  -5.587
  346    HB3  SER  52           2HB      SER  52  -2.324   8.027  -7.235
  347    HG   SER  52           HG       SER  52  -4.438   8.245  -7.093
  348    H    GLY  53           H        GLY  53  -0.877   4.970  -8.929
  349    HA2  GLY  53           1HA      GLY  53   1.684   5.470  -7.590
  350    HA3  GLY  53           2HA      GLY  53   1.433   4.423  -8.979
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -15.154 -14.416  16.276
    2    HA2  GLY   1           1HA      GLY   1 -17.077 -12.963  16.311
    3    HA3  GLY   1           2HA      GLY   1 -16.018 -11.625  15.891
    4    H    SER   2           H        SER   2 -18.141 -11.687  14.402
    5    HA   SER   2           HA       SER   2 -17.686 -13.320  12.031
    6    HB2  SER   2           1HB      SER   2 -19.986 -13.024  12.990
    7    HB3  SER   2           2HB      SER   2 -19.901 -11.321  12.539
    8    HG   SER   2           HG       SER   2 -20.951 -12.668  10.964
    9    H    SER   3           H        SER   3 -16.916 -12.580  10.137
   10    HA   SER   3           HA       SER   3 -15.417 -10.241   9.995
   11    HB2  SER   3           1HB      SER   3 -16.604 -11.919   7.775
   12    HB3  SER   3           2HB      SER   3 -15.423 -10.635   7.515
   13    HG   SER   3           HG       SER   3 -15.075 -13.012   9.025
   14    H    GLY   4           H        GLY   4 -15.831  -8.629   8.050
   15    HA2  GLY   4           1HA      GLY   4 -18.408  -7.853   7.330
   16    HA3  GLY   4           2HA      GLY   4 -18.025  -7.019   8.828
   17    H    SER   5           H        SER   5 -15.324  -6.512   8.466
   18    HA   SER   5           HA       SER   5 -15.465  -4.463   6.380
   19    HB2  SER   5           1HB      SER   5 -13.800  -3.280   7.565
   20    HB3  SER   5           2HB      SER   5 -14.835  -3.957   8.822
   21    HG   SER   5           HG       SER   5 -12.762  -4.409   9.417
   22    H    SER   6           H        SER   6 -13.738  -4.129   4.910
   23    HA   SER   6           HA       SER   6 -12.722  -6.490   3.754
   24    HB2  SER   6           1HB      SER   6 -11.783  -3.650   3.291
   25    HB3  SER   6           2HB      SER   6 -11.539  -5.023   2.211
   26    HG   SER   6           HG       SER   6 -13.338  -3.625   1.661
   27    H    GLY   7           H        GLY   7 -10.971  -3.817   5.351
   28    HA2  GLY   7           1HA      GLY   7  -8.649  -5.571   5.662
   29    HA3  GLY   7           2HA      GLY   7  -8.678  -3.834   5.927
   30    H    GLU   8           H        GLU   8  -8.623  -6.829   7.406
   31    HA   GLU   8           HA       GLU   8  -9.538  -5.671   9.958
   32    HB2  GLU   8           1HB      GLU   8  -9.984  -8.018  10.674
   33    HB3  GLU   8           2HB      GLU   8 -11.000  -7.475   9.346
   34    HG2  GLU   8           1HG      GLU   8 -10.408  -9.591   8.674
   35    HG3  GLU   8           2HG      GLU   8  -9.215  -8.593   7.845
   36    H    SER   9           H        SER   9  -6.930  -5.281   8.980
   37    HA   SER   9           HA       SER   9  -5.306  -7.091  10.632
   38    HB2  SER   9           1HB      SER   9  -4.793  -6.696   8.134
   39    HB3  SER   9           2HB      SER   9  -4.206  -5.113   8.644
   40    HG   SER   9           HG       SER   9  -2.970  -6.527  10.259
   41    H    LEU  10           H        LEU  10  -3.763  -6.248  12.078
   42    HA   LEU  10           HA       LEU  10  -3.824  -3.388  12.634
   43    HB2  LEU  10           1HB      LEU  10  -4.493  -5.475  14.704
   44    HB3  LEU  10           2HB      LEU  10  -4.247  -3.760  15.025
   45    HG   LEU  10           HG       LEU  10  -6.405  -4.698  13.162
   46   HD11  LEU  10          1HD1      LEU  10  -7.889  -4.377  15.241
   47   HD12  LEU  10          2HD1      LEU  10  -6.409  -4.657  16.157
   48   HD13  LEU  10          3HD1      LEU  10  -7.013  -5.896  15.057
   49   HD21  LEU  10          1HD2      LEU  10  -6.902  -2.538  13.047
   50   HD22  LEU  10          2HD2      LEU  10  -5.436  -2.194  13.966
   51   HD23  LEU  10          3HD2      LEU  10  -6.972  -2.412  14.805
   52    H    CYS  11           H        CYS  11  -2.019  -2.626  13.748
   53    HA   CYS  11           HA       CYS  11   0.392  -3.948  13.317
   54    HB2  CYS  11           1HB      CYS  11  -0.210  -1.433  13.955
   55    HB3  CYS  11           2HB      CYS  11   0.220  -1.999  15.566
   56    HA   PRO  12           HA       PRO  12   0.513  -6.929  16.574
   57    HB2  PRO  12           1HB      PRO  12   3.163  -7.506  16.441
   58    HB3  PRO  12           2HB      PRO  12   1.993  -8.079  15.246
   59    HG2  PRO  12           1HG      PRO  12   3.870  -5.752  15.095
   60    HG3  PRO  12           2HG      PRO  12   3.479  -6.956  13.854
   61    HD2  PRO  12           1HD      PRO  12   2.386  -4.478  13.875
   62    HD3  PRO  12           2HD      PRO  12   1.514  -5.902  13.271
   63    H    GLN  13           H        GLN  13   1.724  -3.849  16.728
   64    HA   GLN  13           HA       GLN  13   2.488  -4.209  19.541
   65    HB2  GLN  13           1HB      GLN  13   3.986  -2.702  17.412
   66    HB3  GLN  13           2HB      GLN  13   4.163  -2.298  19.115
   67    HG2  GLN  13           1HG      GLN  13   4.640  -4.865  19.347
   68    HG3  GLN  13           2HG      GLN  13   5.044  -4.722  17.637
   69   HE21  GLN  13          1HE2      GLN  13   6.359  -4.773  20.581
   70   HE22  GLN  13          2HE2      GLN  13   7.753  -3.785  20.325
   71    H    HIS  14           H        HIS  14   1.597  -1.860  17.027
   72    HA   HIS  14           HA       HIS  14   0.614   0.010  19.010
   73    HB2  HIS  14           1HB      HIS  14   0.534   0.115  15.987
   74    HB3  HIS  14           2HB      HIS  14   0.066   1.428  17.062
   75    HD2  HIS  14           2HD      HIS  14   2.183   2.850  18.205
   76    HE1  HIS  14           1HE      HIS  14   5.246   0.829  16.076
   77    HE2  HIS  14           2HE      HIS  14   4.704   2.727  17.641
   78    H    HIS  15           H        HIS  15  -0.600  -2.606  17.205
   79    HA   HIS  15           HA       HIS  15  -2.689  -3.436  16.818
   80    HB2  HIS  15           1HB      HIS  15  -2.938  -2.085  19.486
   81    HB3  HIS  15           2HB      HIS  15  -4.342  -2.851  18.749
   82    HD1  HIS  15           1HD      HIS  15  -2.090  -3.614  21.225
   83    HD2  HIS  15           2HD      HIS  15  -3.237  -5.662  17.797
   84    HE1  HIS  15           1HE      HIS  15  -1.514  -6.024  21.657
   85    H    GLU  16           H        GLU  16  -2.185  -1.158  15.338
   86    HA   GLU  16           HA       GLU  16  -4.836   0.129  15.296
   87    HB2  GLU  16           1HB      GLU  16  -2.108   1.325  14.901
   88    HB3  GLU  16           2HB      GLU  16  -3.529   2.074  14.184
   89    HG2  GLU  16           1HG      GLU  16  -3.051   1.573  17.112
   90    HG3  GLU  16           2HG      GLU  16  -3.000   3.129  16.285
   91    H    ALA  17           H        ALA  17  -5.882   0.196  13.379
   92    HA   ALA  17           HA       ALA  17  -5.576  -1.569  11.392
   93    HB1  ALA  17           1HB      ALA  17  -6.475   1.288  11.047
   94    HB2  ALA  17           2HB      ALA  17  -6.750  -0.005   9.879
   95    HB3  ALA  17           3HB      ALA  17  -7.482  -0.094  11.481
   96    H    LEU  18           H        LEU  18  -4.033  -2.087   9.998
   97    HA   LEU  18           HA       LEU  18  -1.790  -0.341   9.556
   98    HB2  LEU  18           1HB      LEU  18  -2.440  -3.004   8.303
   99    HB3  LEU  18           2HB      LEU  18  -0.888  -2.173   8.228
  100    HG   LEU  18           HG       LEU  18  -2.175  -3.318  10.707
  101   HD11  LEU  18          1HD1      LEU  18  -0.038  -4.746  10.570
  102   HD12  LEU  18          2HD1      LEU  18  -0.002  -4.262   8.875
  103   HD13  LEU  18          3HD1      LEU  18  -1.389  -5.147   9.509
  104   HD21  LEU  18          1HD2      LEU  18   0.570  -2.730  11.055
  105   HD22  LEU  18          2HD2      LEU  18  -0.816  -2.018  11.882
  106   HD23  LEU  18          3HD2      LEU  18  -0.202  -1.286  10.399
  107    H    SER  19           H        SER  19  -2.558   1.432   8.420
  108    HA   SER  19           HA       SER  19  -3.654   0.903   5.742
  109    HB2  SER  19           1HB      SER  19  -3.699   3.497   7.301
  110    HB3  SER  19           2HB      SER  19  -4.531   3.168   5.781
  111    HG   SER  19           HG       SER  19  -5.014   1.579   8.056
  112    H    LEU  20           H        LEU  20  -0.862   0.622   6.325
  113    HA   LEU  20           HA       LEU  20   0.177   2.409   4.301
  114    HB2  LEU  20           1HB      LEU  20   1.068   2.493   7.160
  115    HB3  LEU  20           2HB      LEU  20   2.177   2.909   5.855
  116    HG   LEU  20           HG       LEU  20  -0.401   4.315   6.544
  117   HD11  LEU  20          1HD1      LEU  20   2.282   5.600   6.526
  118   HD12  LEU  20          2HD1      LEU  20   1.835   4.588   7.898
  119   HD13  LEU  20          3HD1      LEU  20   0.848   5.987   7.478
  120   HD21  LEU  20          1HD2      LEU  20   1.443   4.516   4.205
  121   HD22  LEU  20          2HD2      LEU  20   0.633   5.964   4.803
  122   HD23  LEU  20          3HD2      LEU  20  -0.318   4.582   4.258
  123    H    PHE  21           H        PHE  21   2.271   1.759   3.510
  124    HA   PHE  21           HA       PHE  21   3.300  -0.802   4.435
  125    HB2  PHE  21           1HB      PHE  21   1.738  -1.607   2.837
  126    HB3  PHE  21           2HB      PHE  21   2.156  -0.344   1.683
  127    HD1  PHE  21           1HD      PHE  21   3.241  -3.505   3.203
  128    HD2  PHE  21           2HD      PHE  21   4.044  -0.558   0.238
  129    HE1  PHE  21           1HE      PHE  21   4.861  -5.021   2.140
  130    HE2  PHE  21           2HE      PHE  21   5.665  -2.070  -0.830
  131    HZ   PHE  21           HZ       PHE  21   6.074  -4.305   0.120
  132    H    CYS  22           H        CYS  22   5.461  -1.002   4.166
  133    HA   CYS  22           HA       CYS  22   6.864   1.295   3.045
  134    HB2  CYS  22           1HB      CYS  22   7.320   0.101   5.345
  135    HB3  CYS  22           2HB      CYS  22   8.261  -1.007   4.351
  136    H    TYR  23           H        TYR  23   7.949   1.265   1.179
  137    HA   TYR  23           HA       TYR  23   7.865  -1.138  -0.437
  138    HB2  TYR  23           1HB      TYR  23   8.379   1.748  -0.918
  139    HB3  TYR  23           2HB      TYR  23   9.143   0.610  -2.022
  140    HD1  TYR  23           1HD      TYR  23   7.590  -1.167  -3.102
  141    HD2  TYR  23           2HD      TYR  23   6.181   2.412  -1.285
  142    HE1  TYR  23           1HE      TYR  23   5.489  -1.361  -4.366
  143    HE2  TYR  23           2HE      TYR  23   4.075   2.229  -2.543
  144    HH   TYR  23           HH       TYR  23   3.674   0.135  -5.159
  145    H    GLU  24           H        GLU  24  10.012   0.253   1.734
  146    HA   GLU  24           HA       GLU  24  12.385  -0.847   0.422
  147    HB2  GLU  24           1HB      GLU  24  12.317   1.481   1.490
  148    HB3  GLU  24           2HB      GLU  24  12.329   0.646   3.037
  149    HG2  GLU  24           1HG      GLU  24  14.557   1.436   2.227
  150    HG3  GLU  24           2HG      GLU  24  14.466  -0.277   2.629
  151    H    ASP  25           H        ASP  25  10.414  -1.207   3.318
  152    HA   ASP  25           HA       ASP  25  12.071  -3.430   4.237
  153    HB2  ASP  25           1HB      ASP  25   9.797  -1.892   5.481
  154    HB3  ASP  25           2HB      ASP  25  10.408  -3.386   6.187
  155    H    GLN  26           H        GLN  26   9.100  -2.801   2.610
  156    HA   GLN  26           HA       GLN  26   7.526  -4.158   1.688
  157    HB2  GLN  26           1HB      GLN  26   9.871  -5.952   2.006
  158    HB3  GLN  26           2HB      GLN  26   8.319  -6.718   1.696
  159    HG2  GLN  26           1HG      GLN  26   9.752  -6.210  -0.316
  160    HG3  GLN  26           2HG      GLN  26   8.081  -5.652  -0.377
  161   HE21  GLN  26          1HE2      GLN  26   8.098  -3.854  -1.535
  162   HE22  GLN  26          2HE2      GLN  26   9.145  -2.503  -1.285
  163    H    GLU  27           H        GLU  27   7.265  -3.513   4.408
  164    HA   GLU  27           HA       GLU  27   5.772  -5.862   5.347
  165    HB2  GLU  27           1HB      GLU  27   6.604  -5.743   7.514
  166    HB3  GLU  27           2HB      GLU  27   8.033  -5.422   6.541
  167    HG2  GLU  27           1HG      GLU  27   7.639  -2.990   6.885
  168    HG3  GLU  27           2HG      GLU  27   6.340  -3.410   8.000
  169    H    ALA  28           H        ALA  28   3.770  -5.446   6.106
  170    HA   ALA  28           HA       ALA  28   2.675  -2.831   5.694
  171    HB1  ALA  28           1HB      ALA  28   1.583  -5.209   5.432
  172    HB2  ALA  28           2HB      ALA  28   1.149  -4.951   7.122
  173    HB3  ALA  28           3HB      ALA  28   0.614  -3.808   5.890
  174    H    VAL  29           H        VAL  29   2.850  -1.224   7.100
  175    HA   VAL  29           HA       VAL  29   2.901  -1.864   9.978
  176    HB   VAL  29           HB       VAL  29   4.185   0.158  10.352
  177   HG11  VAL  29          1HG1      VAL  29   5.977  -1.116  10.050
  178   HG12  VAL  29          2HG1      VAL  29   5.103  -2.102   8.876
  179   HG13  VAL  29          3HG1      VAL  29   5.991  -0.674   8.343
  180   HG21  VAL  29          1HG2      VAL  29   4.594   1.778   8.816
  181   HG22  VAL  29          2HG2      VAL  29   4.651   0.643   7.468
  182   HG23  VAL  29          3HG2      VAL  29   3.096   1.155   8.125
  183    H    CYS  30           H        CYS  30   2.294   0.259  11.266
  184    HA   CYS  30           HA       CYS  30  -0.360   1.022  10.291
  185    HB2  CYS  30           1HB      CYS  30  -0.877   1.601  12.576
  186    HB3  CYS  30           2HB      CYS  30  -0.136   0.004  12.557
  187    H    LEU  31           H        LEU  31  -1.078   3.282  10.914
  188    HA   LEU  31           HA       LEU  31   0.280   5.196   9.514
  189    HB2  LEU  31           1HB      LEU  31  -1.074   6.838  10.585
  190    HB3  LEU  31           2HB      LEU  31  -2.039   5.377  10.382
  191    HG   LEU  31           HG       LEU  31  -0.711   6.157  12.973
  192   HD11  LEU  31          1HD1      LEU  31  -2.261   7.869  12.639
  193   HD12  LEU  31          2HD1      LEU  31  -3.130   6.687  13.617
  194   HD13  LEU  31          3HD1      LEU  31  -3.432   6.789  11.883
  195   HD21  LEU  31          1HD2      LEU  31  -1.188   3.783  12.749
  196   HD22  LEU  31          2HD2      LEU  31  -2.856   4.143  12.303
  197   HD23  LEU  31          3HD2      LEU  31  -2.274   4.525  13.924
  198    H    ILE  32           H        ILE  32   0.542   4.529  12.990
  199    HA   ILE  32           HA       ILE  32   2.318   6.587  13.643
  200    HB   ILE  32           HB       ILE  32   2.190   3.850  14.912
  201   HG12  ILE  32          1HG1      ILE  32   0.742   6.320  15.848
  202   HG13  ILE  32          2HG1      ILE  32   0.008   5.201  14.704
  203   HG21  ILE  32          1HG2      ILE  32   2.799   6.207  16.547
  204   HG22  ILE  32          2HG2      ILE  32   3.529   4.603  16.548
  205   HG23  ILE  32          3HG2      ILE  32   4.031   5.798  15.353
  206   HD11  ILE  32          1HD1      ILE  32  -0.611   4.870  17.109
  207   HD12  ILE  32          2HD1      ILE  32   0.023   3.443  16.287
  208   HD13  ILE  32          3HD1      ILE  32   1.052   4.356  17.390
  209    H    CYS  33           H        CYS  33   3.221   3.147  13.392
  210    HA   CYS  33           HA       CYS  33   5.871   3.194  13.403
  211    HB2  CYS  33           1HB      CYS  33   3.995   1.669  11.644
  212    HB3  CYS  33           2HB      CYS  33   5.727   1.512  11.372
  213    H    ALA  34           H        ALA  34   4.076   3.805  10.380
  214    HA   ALA  34           HA       ALA  34   6.002   4.366   8.607
  215    HB1  ALA  34           1HB      ALA  34   4.383   6.445   8.032
  216    HB2  ALA  34           2HB      ALA  34   4.017   4.769   7.622
  217    HB3  ALA  34           3HB      ALA  34   3.323   5.494   9.072
  218    H    ILE  35           H        ILE  35   4.839   6.718  11.016
  219    HA   ILE  35           HA       ILE  35   6.166   8.966  10.507
  220    HB   ILE  35           HB       ILE  35   6.156   7.617  13.209
  221   HG12  ILE  35          1HG1      ILE  35   3.920   7.952  12.205
  222   HG13  ILE  35          2HG1      ILE  35   4.160   8.950  13.635
  223   HG21  ILE  35          1HG2      ILE  35   7.407   9.307  13.921
  224   HG22  ILE  35          2HG2      ILE  35   7.373  10.061  12.328
  225   HG23  ILE  35          3HG2      ILE  35   6.095  10.405  13.493
  226   HD11  ILE  35          1HD1      ILE  35   4.219   9.819  10.761
  227   HD12  ILE  35          2HD1      ILE  35   3.061  10.276  12.011
  228   HD13  ILE  35          3HD1      ILE  35   4.729  10.842  12.103
  229    H    SER  36           H        SER  36   7.725   6.233  12.187
  230    HA   SER  36           HA       SER  36  10.296   7.364  12.265
  231    HB2  SER  36           1HB      SER  36   9.487   4.446  12.262
  232    HB3  SER  36           2HB      SER  36  11.080   5.058  12.708
  233    HG   SER  36           HG       SER  36  10.251   5.948  14.511
  234    H    HIS  37           H        HIS  37   9.152   4.719  10.158
  235    HA   HIS  37           HA       HIS  37  11.255   4.442   8.478
  236    HB2  HIS  37           1HB      HIS  37   8.327   4.460   7.724
  237    HB3  HIS  37           2HB      HIS  37   9.613   3.849   6.687
  238    HD2  HIS  37           2HD      HIS  37   8.063   2.934  10.207
  239    HE1  HIS  37           1HE      HIS  37   9.800  -0.526   8.473
  240    HE2  HIS  37           2HE      HIS  37   8.400   0.375  10.363
  241    H    THR  38           H        THR  38   8.516   6.557   7.613
  242    HA   THR  38           HA       THR  38   9.519   7.836   5.451
  243    HB   THR  38           HB       THR  38   8.210   9.581   7.491
  244    HG1  THR  38           1HG      THR  38   7.000   7.763   7.796
  245   HG21  THR  38          1HG2      THR  38   7.217  10.598   5.663
  246   HG22  THR  38          2HG2      THR  38   7.336   9.150   4.662
  247   HG23  THR  38          3HG2      THR  38   8.776  10.111   4.999
  248    H    HIS  39           H        HIS  39  10.290   8.565   8.822
  249    HA   HIS  39           HA       HIS  39  11.837  10.874   8.323
  250    HB2  HIS  39           1HB      HIS  39  10.877   9.956  10.558
  251    HB3  HIS  39           2HB      HIS  39  12.371   9.025  10.630
  252    HD1  HIS  39           1HD      HIS  39  14.542  10.305  11.122
  253    HD2  HIS  39           2HD      HIS  39  11.174  12.730  10.924
  254    HE1  HIS  39           1HE      HIS  39  15.262  12.532  12.043
  255    H    ARG  40           H        ARG  40  12.606   7.446   8.383
  256    HA   ARG  40           HA       ARG  40  15.445   7.940   8.060
  257    HB2  ARG  40           1HB      ARG  40  13.834   5.383   8.097
  258    HB3  ARG  40           2HB      ARG  40  15.584   5.446   7.937
  259    HG2  ARG  40           1HG      ARG  40  15.705   6.582  10.129
  260    HG3  ARG  40           2HG      ARG  40  13.959   6.385  10.290
  261    HD2  ARG  40           1HD      ARG  40  14.742   4.554  11.449
  262    HD3  ARG  40           2HD      ARG  40  14.480   3.873   9.844
  263    HE   ARG  40           HE       ARG  40  17.049   4.616   9.714
  264   HH11  ARG  40          2HH1      ARG  40  15.272   2.828  12.116
  265   HH12  ARG  40          1HH1      ARG  40  16.638   1.887  12.614
  266   HH21  ARG  40          2HH2      ARG  40  18.855   3.382  10.362
  267   HH22  ARG  40          1HH2      ARG  40  18.676   2.203  11.617
  268    H    ALA  41           H        ALA  41  13.491   8.836   6.016
  269    HA   ALA  41           HA       ALA  41  13.338   8.983   3.750
  270    HB1  ALA  41           1HB      ALA  41  15.677   9.388   3.738
  271    HB2  ALA  41           2HB      ALA  41  16.041   7.677   3.968
  272    HB3  ALA  41           3HB      ALA  41  15.350   8.235   2.444
  273    H    HIS  42           H        HIS  42  11.922   6.901   4.896
  274    HA   HIS  42           HA       HIS  42  12.284   4.670   3.013
  275    HB2  HIS  42           1HB      HIS  42  11.258   4.857   5.798
  276    HB3  HIS  42           2HB      HIS  42  10.501   3.669   4.741
  277    HD2  HIS  42           2HD      HIS  42  14.261   4.053   4.099
  278    HE1  HIS  42           1HE      HIS  42  13.748   0.631   6.554
  279    HE2  HIS  42           2HE      HIS  42  15.378   2.000   5.209
  280    H    THR  43           H        THR  43  10.799   4.277   1.493
  281    HA   THR  43           HA       THR  43   8.669   6.138   1.078
  282    HB   THR  43           HB       THR  43   9.186   3.539  -0.379
  283    HG1  THR  43           1HG      THR  43   9.949   6.091  -1.315
  284   HG21  THR  43          1HG2      THR  43   6.962   5.060  -0.532
  285   HG22  THR  43          2HG2      THR  43   7.614   4.145  -1.892
  286   HG23  THR  43          3HG2      THR  43   7.972   5.865  -1.733
  287    H    VAL  44           H        VAL  44   6.596   6.000   1.663
  288    HA   VAL  44           HA       VAL  44   5.469   3.394   2.383
  289    HB   VAL  44           HB       VAL  44   5.335   5.838   4.154
  290   HG11  VAL  44          1HG1      VAL  44   3.401   5.043   4.903
  291   HG12  VAL  44          2HG1      VAL  44   3.526   3.626   3.858
  292   HG13  VAL  44          3HG1      VAL  44   4.257   3.607   5.464
  293   HG21  VAL  44          1HG2      VAL  44   6.221   3.353   5.355
  294   HG22  VAL  44          2HG2      VAL  44   7.264   3.852   4.023
  295   HG23  VAL  44          3HG2      VAL  44   6.975   4.947   5.375
  296    H    VAL  45           H        VAL  45   3.419   3.121   1.717
  297    HA   VAL  45           HA       VAL  45   1.810   5.473   1.035
  298    HB   VAL  45           HB       VAL  45   1.166   4.596  -1.113
  299   HG11  VAL  45          1HG1      VAL  45   3.225   4.865  -2.334
  300   HG12  VAL  45          2HG1      VAL  45   3.225   5.970  -0.958
  301   HG13  VAL  45          3HG1      VAL  45   4.172   4.483  -0.896
  302   HG21  VAL  45          1HG2      VAL  45   2.019   2.562  -2.043
  303   HG22  VAL  45          2HG2      VAL  45   3.093   2.320  -0.664
  304   HG23  VAL  45          3HG2      VAL  45   1.346   2.193  -0.455
  305    HA   PRO  46           HA       PRO  46  -1.447   3.220   2.941
  306    HB2  PRO  46           1HB      PRO  46  -3.587   4.341   1.702
  307    HB3  PRO  46           2HB      PRO  46  -2.632   5.188   2.925
  308    HG2  PRO  46           1HG      PRO  46  -2.501   5.395  -0.059
  309    HG3  PRO  46           2HG      PRO  46  -2.445   6.686   1.156
  310    HD2  PRO  46           1HD      PRO  46  -0.221   5.730  -0.057
  311    HD3  PRO  46           2HD      PRO  46  -0.214   6.332   1.613
  312    H    LEU  47           H        LEU  47  -2.492   1.331   2.633
  313    HA   LEU  47           HA       LEU  47  -2.308   0.039   0.081
  314    HB2  LEU  47           1HB      LEU  47  -3.129  -0.709   2.822
  315    HB3  LEU  47           2HB      LEU  47  -3.824  -1.653   1.506
  316    HG   LEU  47           HG       LEU  47  -1.561  -2.234   0.745
  317   HD11  LEU  47          1HD1      LEU  47  -0.759  -0.045   2.198
  318   HD12  LEU  47          2HD1      LEU  47   0.301  -1.272   1.505
  319   HD13  LEU  47          3HD1      LEU  47  -0.214  -1.400   3.186
  320   HD21  LEU  47          1HD2      LEU  47  -1.658  -4.017   2.067
  321   HD22  LEU  47          2HD2      LEU  47  -2.917  -3.190   2.986
  322   HD23  LEU  47          3HD2      LEU  47  -1.230  -3.062   3.487
  323    H    SER  48           H        SER  48  -3.711   0.277  -1.515
  324    HA   SER  48           HA       SER  48  -5.595   1.023  -2.617
  325    HB2  SER  48           1HB      SER  48  -5.984  -1.393  -2.159
  326    HB3  SER  48           2HB      SER  48  -6.849  -0.946  -0.689
  327    HG   SER  48           HG       SER  48  -8.309   0.232  -2.043
  328    H    GLY  49           H        GLY  49  -4.910   2.609  -0.233
  329    HA2  GLY  49           1HA      GLY  49  -7.622   3.576   0.440
  330    HA3  GLY  49           2HA      GLY  49  -6.278   3.624   1.571
  331    HA   PRO  50           HA       PRO  50  -5.874   7.078  -1.857
  332    HB2  PRO  50           1HB      PRO  50  -8.290   8.171  -2.436
  333    HB3  PRO  50           2HB      PRO  50  -7.586   6.848  -3.372
  334    HG2  PRO  50           1HG      PRO  50  -9.658   6.748  -1.214
  335    HG3  PRO  50           2HG      PRO  50  -9.608   5.879  -2.759
  336    HD2  PRO  50           1HD      PRO  50  -8.902   4.724  -0.414
  337    HD3  PRO  50           2HD      PRO  50  -8.147   4.286  -1.960
  338    H    SER  51           H        SER  51  -7.325   6.756   1.106
  339    HA   SER  51           HA       SER  51  -8.310   9.143   1.928
  340    HB2  SER  51           1HB      SER  51  -6.346   7.396   3.430
  341    HB3  SER  51           2HB      SER  51  -7.323   8.667   4.165
  342    HG   SER  51           HG       SER  51  -9.183   7.504   3.449
  343    H    SER  52           H        SER  52  -7.642  11.177   1.898
  344    HA   SER  52           HA       SER  52  -4.742  11.707   1.874
  345    HB2  SER  52           1HB      SER  52  -5.045  13.480   0.319
  346    HB3  SER  52           2HB      SER  52  -5.976  12.125  -0.319
  347    HG   SER  52           HG       SER  52  -7.062  14.228  -0.284
  348    H    GLY  53           H        GLY  53  -3.985  13.128   3.331
  349    HA2  GLY  53           1HA      GLY  53  -4.814  15.395   4.372
  350    HA3  GLY  53           2HA      GLY  53  -5.925  14.301   5.184
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -14.795 -21.175  11.041
    2    HA2  GLY   1           1HA      GLY   1 -13.574 -20.493   8.474
    3    HA3  GLY   1           2HA      GLY   1 -14.109 -19.358   9.704
    4    H    SER   2           H        SER   2 -11.456 -20.795   8.282
    5    HA   SER   2           HA       SER   2  -9.739 -20.455  10.628
    6    HB2  SER   2           1HB      SER   2  -9.257 -21.704   7.918
    7    HB3  SER   2           2HB      SER   2  -7.980 -21.466   9.110
    8    HG   SER   2           HG       SER   2  -9.214 -23.568   9.045
    9    H    SER   3           H        SER   3  -7.980 -19.059  10.658
   10    HA   SER   3           HA       SER   3  -8.239 -16.541   9.669
   11    HB2  SER   3           1HB      SER   3  -5.897 -18.134  10.588
   12    HB3  SER   3           2HB      SER   3  -5.569 -16.605   9.772
   13    HG   SER   3           HG       SER   3  -7.348 -15.881  11.377
   14    H    GLY   4           H        GLY   4  -7.147 -15.340   7.991
   15    HA2  GLY   4           1HA      GLY   4  -5.591 -16.051   5.950
   16    HA3  GLY   4           2HA      GLY   4  -7.093 -16.843   5.496
   17    H    SER   5           H        SER   5  -6.359 -13.664   6.927
   18    HA   SER   5           HA       SER   5  -7.915 -12.448   4.739
   19    HB2  SER   5           1HB      SER   5  -9.081 -12.090   6.797
   20    HB3  SER   5           2HB      SER   5  -7.601 -11.607   7.625
   21    HG   SER   5           HG       SER   5  -8.696 -10.194   5.424
   22    H    SER   6           H        SER   6  -6.233 -12.048   3.335
   23    HA   SER   6           HA       SER   6  -3.879 -10.625   4.265
   24    HB2  SER   6           1HB      SER   6  -3.855 -12.479   2.506
   25    HB3  SER   6           2HB      SER   6  -4.553 -11.296   1.401
   26    HG   SER   6           HG       SER   6  -2.395 -11.115   1.121
   27    H    GLY   7           H        GLY   7  -3.715  -8.486   4.305
   28    HA2  GLY   7           1HA      GLY   7  -3.981  -6.520   2.669
   29    HA3  GLY   7           2HA      GLY   7  -5.690  -6.911   2.791
   30    H    GLU   8           H        GLU   8  -6.668  -6.799   4.958
   31    HA   GLU   8           HA       GLU   8  -5.657  -4.455   6.361
   32    HB2  GLU   8           1HB      GLU   8  -8.261  -5.973   6.562
   33    HB3  GLU   8           2HB      GLU   8  -7.858  -4.589   7.568
   34    HG2  GLU   8           1HG      GLU   8  -7.599  -3.238   5.498
   35    HG3  GLU   8           2HG      GLU   8  -8.185  -4.623   4.579
   36    H    SER   9           H        SER   9  -4.957  -4.425   8.442
   37    HA   SER   9           HA       SER   9  -5.319  -6.602  10.252
   38    HB2  SER   9           1HB      SER   9  -2.796  -6.406   8.676
   39    HB3  SER   9           2HB      SER   9  -2.664  -6.828  10.383
   40    HG   SER   9           HG       SER   9  -4.585  -8.177   8.892
   41    H    LEU  10           H        LEU  10  -3.751  -6.271  12.213
   42    HA   LEU  10           HA       LEU  10  -3.534  -3.374  12.705
   43    HB2  LEU  10           1HB      LEU  10  -4.247  -5.554  14.661
   44    HB3  LEU  10           2HB      LEU  10  -4.032  -3.852  15.064
   45    HG   LEU  10           HG       LEU  10  -6.090  -4.641  13.046
   46   HD11  LEU  10          1HD1      LEU  10  -6.273  -4.972  16.021
   47   HD12  LEU  10          2HD1      LEU  10  -6.713  -6.113  14.752
   48   HD13  LEU  10          3HD1      LEU  10  -7.700  -4.678  15.027
   49   HD21  LEU  10          1HD2      LEU  10  -6.363  -2.534  15.138
   50   HD22  LEU  10          2HD2      LEU  10  -7.018  -2.590  13.501
   51   HD23  LEU  10          3HD2      LEU  10  -5.307  -2.243  13.756
   52    H    CYS  11           H        CYS  11  -1.672  -2.607  13.556
   53    HA   CYS  11           HA       CYS  11   0.712  -3.950  13.293
   54    HB2  CYS  11           1HB      CYS  11   0.150  -1.423  13.811
   55    HB3  CYS  11           2HB      CYS  11   0.459  -1.918  15.472
   56    HA   PRO  12           HA       PRO  12   0.761  -6.847  16.629
   57    HB2  PRO  12           1HB      PRO  12   3.403  -7.461  16.533
   58    HB3  PRO  12           2HB      PRO  12   2.236  -8.052  15.345
   59    HG2  PRO  12           1HG      PRO  12   4.143  -5.754  15.144
   60    HG3  PRO  12           2HG      PRO  12   3.746  -6.987  13.934
   61    HD2  PRO  12           1HD      PRO  12   2.685  -4.497  13.877
   62    HD3  PRO  12           2HD      PRO  12   1.799  -5.925  13.306
   63    H    GLN  13           H        GLN  13   2.056  -3.784  16.689
   64    HA   GLN  13           HA       GLN  13   2.821  -4.086  19.513
   65    HB2  GLN  13           1HB      GLN  13   4.266  -2.625  17.324
   66    HB3  GLN  13           2HB      GLN  13   4.433  -2.117  18.999
   67    HG2  GLN  13           1HG      GLN  13   4.992  -4.913  18.049
   68    HG3  GLN  13           2HG      GLN  13   6.218  -3.651  18.158
   69   HE21  GLN  13          1HE2      GLN  13   3.995  -5.647  19.975
   70   HE22  GLN  13          2HE2      GLN  13   4.789  -5.481  21.500
   71    H    HIS  14           H        HIS  14   1.629  -1.950  16.968
   72    HA   HIS  14           HA       HIS  14   0.650  -0.064  18.981
   73    HB2  HIS  14           1HB      HIS  14   0.706   0.145  15.963
   74    HB3  HIS  14           2HB      HIS  14   0.163   1.410  17.061
   75    HD2  HIS  14           2HD      HIS  14   2.287   2.524  18.679
   76    HE1  HIS  14           1HE      HIS  14   5.326   1.178  16.042
   77    HE2  HIS  14           2HE      HIS  14   4.790   2.623  18.034
   78    H    HIS  15           H        HIS  15  -0.406  -2.718  17.215
   79    HA   HIS  15           HA       HIS  15  -2.459  -3.543  16.617
   80    HB2  HIS  15           1HB      HIS  15  -3.382  -2.200  19.156
   81    HB3  HIS  15           2HB      HIS  15  -3.990  -3.689  18.438
   82    HD1  HIS  15           1HD      HIS  15  -2.002  -2.638  21.144
   83    HD2  HIS  15           2HD      HIS  15  -1.659  -5.685  18.340
   84    HE1  HIS  15           1HE      HIS  15  -0.424  -4.311  22.160
   85    H    GLU  16           H        GLU  16  -1.897  -0.957  15.497
   86    HA   GLU  16           HA       GLU  16  -4.587   0.239  15.433
   87    HB2  GLU  16           1HB      GLU  16  -1.848   1.394  15.021
   88    HB3  GLU  16           2HB      GLU  16  -3.256   2.182  14.323
   89    HG2  GLU  16           1HG      GLU  16  -3.125   1.497  17.236
   90    HG3  GLU  16           2HG      GLU  16  -2.434   2.989  16.599
   91    H    ALA  17           H        ALA  17  -5.682   0.390  13.546
   92    HA   ALA  17           HA       ALA  17  -5.459  -1.329  11.502
   93    HB1  ALA  17           1HB      ALA  17  -6.740   0.181  10.115
   94    HB2  ALA  17           2HB      ALA  17  -7.308   0.278  11.783
   95    HB3  ALA  17           3HB      ALA  17  -6.277   1.549  11.128
   96    H    LEU  18           H        LEU  18  -3.989  -1.815  10.020
   97    HA   LEU  18           HA       LEU  18  -1.760  -0.034   9.542
   98    HB2  LEU  18           1HB      LEU  18  -2.346  -2.730   8.332
   99    HB3  LEU  18           2HB      LEU  18  -0.812  -1.865   8.275
  100    HG   LEU  18           HG       LEU  18  -2.070  -2.840  10.833
  101   HD11  LEU  18          1HD1      LEU  18  -0.503  -4.267   8.789
  102   HD12  LEU  18          2HD1      LEU  18  -1.614  -4.885  10.011
  103   HD13  LEU  18          3HD1      LEU  18   0.041  -4.470  10.454
  104   HD21  LEU  18          1HD2      LEU  18   0.837  -2.414  10.506
  105   HD22  LEU  18          2HD2      LEU  18  -0.208  -2.110  11.894
  106   HD23  LEU  18          3HD2      LEU  18  -0.177  -0.971  10.547
  107    H    SER  19           H        SER  19  -2.671   1.688   8.404
  108    HA   SER  19           HA       SER  19  -3.869   1.083   5.797
  109    HB2  SER  19           1HB      SER  19  -4.800   2.779   7.611
  110    HB3  SER  19           2HB      SER  19  -3.655   3.875   6.840
  111    HG   SER  19           HG       SER  19  -5.371   2.369   5.222
  112    H    LEU  20           H        LEU  20  -1.019   0.768   6.310
  113    HA   LEU  20           HA       LEU  20  -0.051   2.357   4.088
  114    HB2  LEU  20           1HB      LEU  20   1.078   2.561   6.865
  115    HB3  LEU  20           2HB      LEU  20   2.021   2.967   5.433
  116    HG   LEU  20           HG       LEU  20  -0.568   4.313   6.194
  117   HD11  LEU  20          1HD1      LEU  20   1.438   6.160   6.478
  118   HD12  LEU  20          2HD1      LEU  20   2.156   4.698   7.155
  119   HD13  LEU  20          3HD1      LEU  20   0.629   5.307   7.793
  120   HD21  LEU  20          1HD2      LEU  20  -0.396   4.809   3.988
  121   HD22  LEU  20          2HD2      LEU  20   1.347   4.544   3.948
  122   HD23  LEU  20          3HD2      LEU  20   0.697   6.046   4.608
  123    H    PHE  21           H        PHE  21   2.137   1.661   3.394
  124    HA   PHE  21           HA       PHE  21   3.022  -0.926   4.376
  125    HB2  PHE  21           1HB      PHE  21   1.436  -1.697   2.780
  126    HB3  PHE  21           2HB      PHE  21   1.938  -0.496   1.595
  127    HD1  PHE  21           2HD      PHE  21   3.970  -0.795   0.303
  128    HD2  PHE  21           1HD      PHE  21   2.697  -3.718   3.123
  129    HE1  PHE  21           2HE      PHE  21   5.527  -2.422  -0.686
  130    HE2  PHE  21           1HE      PHE  21   4.252  -5.350   2.138
  131    HZ   PHE  21           HZ       PHE  21   5.669  -4.704   0.230
  132    H    CYS  22           H        CYS  22   5.160  -0.883   4.491
  133    HA   CYS  22           HA       CYS  22   6.653   1.190   3.142
  134    HB2  CYS  22           1HB      CYS  22   7.097   0.493   5.510
  135    HB3  CYS  22           2HB      CYS  22   7.695  -1.044   4.893
  136    H    TYR  23           H        TYR  23   7.585   0.985   1.226
  137    HA   TYR  23           HA       TYR  23   7.558  -1.482  -0.201
  138    HB2  TYR  23           1HB      TYR  23   8.396   1.311  -0.756
  139    HB3  TYR  23           2HB      TYR  23   9.139   0.054  -1.739
  140    HD1  TYR  23           1HD      TYR  23   7.613  -1.528  -3.015
  141    HD2  TYR  23           2HD      TYR  23   6.218   2.064  -1.211
  142    HE1  TYR  23           1HE      TYR  23   5.619  -1.587  -4.453
  143    HE2  TYR  23           2HE      TYR  23   4.220   2.014  -2.644
  144    HH   TYR  23           HH       TYR  23   3.936   0.368  -5.346
  145    H    GLU  24           H        GLU  24  10.172   0.543   1.116
  146    HA   GLU  24           HA       GLU  24  12.347  -0.971   0.338
  147    HB2  GLU  24           1HB      GLU  24  11.836   0.799   2.703
  148    HB3  GLU  24           2HB      GLU  24  13.349  -0.089   2.585
  149    HG2  GLU  24           1HG      GLU  24  12.473   1.509   0.241
  150    HG3  GLU  24           2HG      GLU  24  13.098   2.360   1.653
  151    H    ASP  25           H        ASP  25  10.723  -1.154   3.511
  152    HA   ASP  25           HA       ASP  25  12.083  -3.504   4.315
  153    HB2  ASP  25           1HB      ASP  25   9.511  -2.265   5.314
  154    HB3  ASP  25           2HB      ASP  25  10.335  -3.609   6.101
  155    H    GLN  26           H        GLN  26   9.208  -2.931   2.454
  156    HA   GLN  26           HA       GLN  26   7.903  -4.335   1.223
  157    HB2  GLN  26           1HB      GLN  26  10.262  -5.528   1.048
  158    HB3  GLN  26           2HB      GLN  26   9.465  -6.743   2.039
  159    HG2  GLN  26           1HG      GLN  26   8.975  -7.574  -0.006
  160    HG3  GLN  26           2HG      GLN  26   7.593  -6.497   0.189
  161   HE21  GLN  26          1HE2      GLN  26   7.920  -4.264  -0.674
  162   HE22  GLN  26          2HE2      GLN  26   8.767  -4.110  -2.172
  163    H    GLU  27           H        GLU  27   7.327  -3.752   3.965
  164    HA   GLU  27           HA       GLU  27   5.655  -6.086   4.579
  165    HB2  GLU  27           1HB      GLU  27   6.163  -6.019   6.894
  166    HB3  GLU  27           2HB      GLU  27   7.708  -5.983   6.057
  167    HG2  GLU  27           1HG      GLU  27   7.725  -3.509   6.342
  168    HG3  GLU  27           2HG      GLU  27   6.280  -3.669   7.340
  169    H    ALA  28           H        ALA  28   4.011  -5.423   6.371
  170    HA   ALA  28           HA       ALA  28   2.817  -2.887   5.499
  171    HB1  ALA  28           1HB      ALA  28   1.181  -4.437   5.147
  172    HB2  ALA  28           2HB      ALA  28   1.710  -5.463   6.481
  173    HB3  ALA  28           3HB      ALA  28   0.803  -3.987   6.810
  174    H    VAL  29           H        VAL  29   2.848  -1.193   6.815
  175    HA   VAL  29           HA       VAL  29   3.179  -1.664   9.707
  176    HB   VAL  29           HB       VAL  29   4.386   0.464   9.849
  177   HG11  VAL  29          1HG1      VAL  29   6.370  -0.304   8.290
  178   HG12  VAL  29          2HG1      VAL  29   5.924  -1.226   9.727
  179   HG13  VAL  29          3HG1      VAL  29   5.380  -1.754   8.134
  180   HG21  VAL  29          1HG2      VAL  29   3.219   1.090   7.481
  181   HG22  VAL  29          2HG2      VAL  29   4.608   1.937   8.162
  182   HG23  VAL  29          3HG2      VAL  29   4.850   0.673   6.956
  183    H    CYS  30           H        CYS  30   2.483   0.320  11.012
  184    HA   CYS  30           HA       CYS  30  -0.173   1.109  10.060
  185    HB2  CYS  30           1HB      CYS  30  -0.755   1.494  12.338
  186    HB3  CYS  30           2HB      CYS  30   0.134  -0.025  12.301
  187    H    LEU  31           H        LEU  31  -0.780   3.349  11.289
  188    HA   LEU  31           HA       LEU  31   0.549   5.353   9.836
  189    HB2  LEU  31           1HB      LEU  31  -1.783   5.489  10.647
  190    HB3  LEU  31           2HB      LEU  31  -1.172   5.674  12.290
  191    HG   LEU  31           HG       LEU  31  -0.392   7.624  10.154
  192   HD11  LEU  31          1HD1      LEU  31  -2.983   7.505  11.664
  193   HD12  LEU  31          2HD1      LEU  31  -2.724   7.713   9.933
  194   HD13  LEU  31          3HD1      LEU  31  -2.323   9.020  11.047
  195   HD21  LEU  31          1HD2      LEU  31   0.613   8.639  11.851
  196   HD22  LEU  31          2HD2      LEU  31   0.156   7.295  12.898
  197   HD23  LEU  31          3HD2      LEU  31  -0.902   8.700  12.752
  198    H    ILE  32           H        ILE  32   0.448   4.959  13.383
  199    HA   ILE  32           HA       ILE  32   2.293   6.796  14.147
  200    HB   ILE  32           HB       ILE  32   1.988   4.009  15.267
  201   HG12  ILE  32          1HG1      ILE  32   0.797   5.592  17.061
  202   HG13  ILE  32          2HG1      ILE  32   0.557   6.595  15.634
  203   HG21  ILE  32          1HG2      ILE  32   3.975   4.625  16.220
  204   HG22  ILE  32          2HG2      ILE  32   3.606   6.347  16.139
  205   HG23  ILE  32          3HG2      ILE  32   2.846   5.340  17.371
  206   HD11  ILE  32          1HD1      ILE  32  -1.167   4.717  16.418
  207   HD12  ILE  32          2HD1      ILE  32  -0.943   5.176  14.729
  208   HD13  ILE  32          3HD1      ILE  32  -0.140   3.742  15.368
  209    H    CYS  33           H        CYS  33   2.996   3.515  12.991
  210    HA   CYS  33           HA       CYS  33   5.769   3.567  13.341
  211    HB2  CYS  33           1HB      CYS  33   3.894   2.020  11.609
  212    HB3  CYS  33           2HB      CYS  33   5.617   1.930  11.259
  213    H    ALA  34           H        ALA  34   3.856   4.327  10.434
  214    HA   ALA  34           HA       ALA  34   5.661   4.899   8.557
  215    HB1  ALA  34           1HB      ALA  34   3.054   5.531   8.864
  216    HB2  ALA  34           2HB      ALA  34   3.785   7.136   8.919
  217    HB3  ALA  34           3HB      ALA  34   4.055   6.091   7.524
  218    H    ILE  35           H        ILE  35   4.872   7.144  11.204
  219    HA   ILE  35           HA       ILE  35   6.372   9.313  10.649
  220    HB   ILE  35           HB       ILE  35   6.214   7.929  13.328
  221   HG12  ILE  35          1HG1      ILE  35   4.662  10.325  12.349
  222   HG13  ILE  35          2HG1      ILE  35   4.074   8.676  12.163
  223   HG21  ILE  35          1HG2      ILE  35   6.594  10.418  14.063
  224   HG22  ILE  35          2HG2      ILE  35   7.961   9.370  13.691
  225   HG23  ILE  35          3HG2      ILE  35   7.393  10.535  12.495
  226   HD11  ILE  35          1HD1      ILE  35   4.715  10.027  14.773
  227   HD12  ILE  35          2HD1      ILE  35   3.103   9.763  14.108
  228   HD13  ILE  35          3HD1      ILE  35   4.100   8.386  14.577
  229    H    SER  36           H        SER  36   7.684   6.492  12.401
  230    HA   SER  36           HA       SER  36  10.341   7.329  12.447
  231    HB2  SER  36           1HB      SER  36   9.327   5.399  13.732
  232    HB3  SER  36           2HB      SER  36   9.446   4.448  12.251
  233    HG   SER  36           HG       SER  36  11.303   4.755  14.037
  234    H    HIS  37           H        HIS  37   8.843   4.996  10.201
  235    HA   HIS  37           HA       HIS  37  10.993   4.589   8.523
  236    HB2  HIS  37           1HB      HIS  37   8.045   4.675   7.861
  237    HB3  HIS  37           2HB      HIS  37   9.282   4.085   6.754
  238    HD2  HIS  37           2HD      HIS  37   8.239   3.118  10.462
  239    HE1  HIS  37           1HE      HIS  37   9.207  -0.382   8.269
  240    HE2  HIS  37           2HE      HIS  37   8.345   0.534  10.451
  241    H    THR  38           H        THR  38   8.279   6.736   7.667
  242    HA   THR  38           HA       THR  38   9.324   8.028   5.531
  243    HB   THR  38           HB       THR  38   8.002  10.038   6.177
  244    HG1  THR  38           1HG      THR  38   8.413   9.641   8.520
  245   HG21  THR  38          1HG2      THR  38   6.745   8.459   5.005
  246   HG22  THR  38          2HG2      THR  38   5.791   8.730   6.464
  247   HG23  THR  38          3HG2      THR  38   6.803   7.292   6.326
  248    H    HIS  39           H        HIS  39  10.170   8.554   8.891
  249    HA   HIS  39           HA       HIS  39  11.718  10.916   8.402
  250    HB2  HIS  39           1HB      HIS  39  10.713  10.497  10.598
  251    HB3  HIS  39           2HB      HIS  39  11.693   9.045  10.781
  252    HD1  HIS  39           1HD      HIS  39  14.166   9.355  11.412
  253    HD2  HIS  39           2HD      HIS  39  12.079  12.923  10.993
  254    HE1  HIS  39           1HE      HIS  39  15.663  11.128  12.382
  255    H    ARG  40           H        ARG  40  12.397   7.473   8.719
  256    HA   ARG  40           HA       ARG  40  15.251   7.839   8.558
  257    HB2  ARG  40           1HB      ARG  40  13.525   5.362   8.421
  258    HB3  ARG  40           2HB      ARG  40  15.284   5.342   8.407
  259    HG2  ARG  40           1HG      ARG  40  15.301   6.406  10.618
  260    HG3  ARG  40           2HG      ARG  40  13.536   6.374  10.631
  261    HD2  ARG  40           1HD      ARG  40  14.282   4.501  11.892
  262    HD3  ARG  40           2HD      ARG  40  13.675   3.886  10.355
  263    HE   ARG  40           HE       ARG  40  16.420   3.863  11.288
  264   HH11  ARG  40          2HH1      ARG  40  14.233   3.483   8.605
  265   HH12  ARG  40          1HH1      ARG  40  15.350   2.559   7.657
  266   HH21  ARG  40          2HH2      ARG  40  17.899   2.647  10.049
  267   HH22  ARG  40          1HH2      ARG  40  17.435   2.083   8.480
  268    H    ALA  41           H        ALA  41  13.168   8.548   6.344
  269    HA   ALA  41           HA       ALA  41  13.278   8.785   4.078
  270    HB1  ALA  41           1HB      ALA  41  15.769   8.978   4.605
  271    HB2  ALA  41           2HB      ALA  41  15.887   7.300   4.074
  272    HB3  ALA  41           3HB      ALA  41  15.320   8.540   2.956
  273    H    HIS  42           H        HIS  42  11.834   6.669   5.147
  274    HA   HIS  42           HA       HIS  42  12.358   4.444   3.296
  275    HB2  HIS  42           1HB      HIS  42  11.132   4.623   6.000
  276    HB3  HIS  42           2HB      HIS  42  10.476   3.417   4.897
  277    HD2  HIS  42           2HD      HIS  42  14.288   3.942   4.641
  278    HE1  HIS  42           1HE      HIS  42  13.622   0.395   6.872
  279    HE2  HIS  42           2HE      HIS  42  15.344   1.875   5.781
  280    H    THR  43           H        THR  43  10.847   3.797   1.831
  281    HA   THR  43           HA       THR  43   8.809   5.699   1.133
  282    HB   THR  43           HB       THR  43   9.292   2.979  -0.094
  283    HG1  THR  43           1HG      THR  43  10.815   3.912  -1.332
  284   HG21  THR  43          1HG2      THR  43   7.139   4.359  -0.541
  285   HG22  THR  43          2HG2      THR  43   8.028   3.693  -1.911
  286   HG23  THR  43          3HG2      THR  43   8.203   5.396  -1.490
  287    H    VAL  44           H        VAL  44   6.646   5.560   1.409
  288    HA   VAL  44           HA       VAL  44   5.418   3.073   2.270
  289    HB   VAL  44           HB       VAL  44   5.246   5.543   4.002
  290   HG11  VAL  44          1HG1      VAL  44   3.386   4.664   4.834
  291   HG12  VAL  44          2HG1      VAL  44   3.501   3.319   3.698
  292   HG13  VAL  44          3HG1      VAL  44   4.274   3.207   5.280
  293   HG21  VAL  44          1HG2      VAL  44   7.377   4.561   4.365
  294   HG22  VAL  44          2HG2      VAL  44   6.348   4.042   5.700
  295   HG23  VAL  44          3HG2      VAL  44   6.700   2.933   4.375
  296    H    VAL  45           H        VAL  45   3.376   2.893   1.549
  297    HA   VAL  45           HA       VAL  45   1.937   5.321   0.739
  298    HB   VAL  45           HB       VAL  45   1.249   4.351  -1.359
  299   HG11  VAL  45          1HG1      VAL  45   3.259   4.555  -2.568
  300   HG12  VAL  45          2HG1      VAL  45   3.475   5.557  -1.131
  301   HG13  VAL  45          3HG1      VAL  45   4.226   3.963  -1.218
  302   HG21  VAL  45          1HG2      VAL  45   2.287   2.207  -2.136
  303   HG22  VAL  45          2HG2      VAL  45   2.855   1.956  -0.485
  304   HG23  VAL  45          3HG2      VAL  45   1.125   2.029  -0.821
  305    HA   PRO  46           HA       PRO  46  -1.512   3.444   2.715
  306    HB2  PRO  46           1HB      PRO  46  -3.542   4.626   1.355
  307    HB3  PRO  46           2HB      PRO  46  -2.550   5.486   2.537
  308    HG2  PRO  46           1HG      PRO  46  -2.353   5.473  -0.450
  309    HG3  PRO  46           2HG      PRO  46  -2.225   6.839   0.674
  310    HD2  PRO  46           1HD      PRO  46  -0.055   5.644  -0.421
  311    HD3  PRO  46           2HD      PRO  46  -0.033   6.360   1.203
  312    H    LEU  47           H        LEU  47  -2.628   1.590   2.516
  313    HA   LEU  47           HA       LEU  47  -2.533   0.147   0.039
  314    HB2  LEU  47           1HB      LEU  47  -3.382  -0.405   2.822
  315    HB3  LEU  47           2HB      LEU  47  -4.099  -1.398   1.555
  316    HG   LEU  47           HG       LEU  47  -1.811  -2.043   0.838
  317   HD11  LEU  47          1HD1      LEU  47  -0.457  -1.368   3.270
  318   HD12  LEU  47          2HD1      LEU  47  -1.054   0.096   2.488
  319   HD13  LEU  47          3HD1      LEU  47  -0.005  -1.011   1.602
  320   HD21  LEU  47          1HD2      LEU  47  -2.581  -3.752   2.089
  321   HD22  LEU  47          2HD2      LEU  47  -3.045  -2.704   3.430
  322   HD23  LEU  47          3HD2      LEU  47  -1.362  -3.193   3.234
  323    H    SER  48           H        SER  48  -3.942   0.367  -1.554
  324    HA   SER  48           HA       SER  48  -5.801   1.117  -2.686
  325    HB2  SER  48           1HB      SER  48  -7.771  -0.222  -2.193
  326    HB3  SER  48           2HB      SER  48  -6.330  -1.226  -2.035
  327    HG   SER  48           HG       SER  48  -7.514   0.086   0.174
  328    H    GLY  49           H        GLY  49  -4.978   2.831  -0.430
  329    HA2  GLY  49           1HA      GLY  49  -7.610   4.051   0.140
  330    HA3  GLY  49           2HA      GLY  49  -6.298   4.041   1.310
  331    HA   PRO  50           HA       PRO  50  -5.959   7.523  -2.067
  332    HB2  PRO  50           1HB      PRO  50  -7.999   9.231  -1.526
  333    HB3  PRO  50           2HB      PRO  50  -8.124   7.934  -2.720
  334    HG2  PRO  50           1HG      PRO  50  -9.102   8.005   0.108
  335    HG3  PRO  50           2HG      PRO  50  -9.916   7.390  -1.342
  336    HD2  PRO  50           1HD      PRO  50  -8.684   5.763   0.438
  337    HD3  PRO  50           2HD      PRO  50  -8.762   5.396  -1.297
  338    H    SER  51           H        SER  51  -4.482   8.953  -1.423
  339    HA   SER  51           HA       SER  51  -3.998   9.516   1.302
  340    HB2  SER  51           1HB      SER  51  -2.184  10.861   0.553
  341    HB3  SER  51           2HB      SER  51  -2.311   9.540  -0.609
  342    HG   SER  51           HG       SER  51  -2.205  11.287  -1.876
  343    H    SER  52           H        SER  52  -3.691  11.878   2.040
  344    HA   SER  52           HA       SER  52  -5.418  13.881   1.013
  345    HB2  SER  52           1HB      SER  52  -7.105  13.927   2.761
  346    HB3  SER  52           2HB      SER  52  -7.121  12.344   1.984
  347    HG   SER  52           HG       SER  52  -7.182  12.273   4.310
  348    H    GLY  53           H        GLY  53  -5.326  15.853   2.230
  349    HA2  GLY  53           1HA      GLY  53  -4.356  16.527   4.601
  350    HA3  GLY  53           2HA      GLY  53  -2.873  16.025   3.803
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -10.330 -17.837  16.780
    2    HA2  GLY   1           1HA      GLY   1  -8.768 -19.638  17.911
    3    HA3  GLY   1           2HA      GLY   1 -10.275 -20.542  17.890
    4    H    SER   2           H        SER   2 -10.577 -21.818  16.198
    5    HA   SER   2           HA       SER   2  -8.779 -21.713  13.960
    6    HB2  SER   2           1HB      SER   2  -9.753 -23.822  15.048
    7    HB3  SER   2           2HB      SER   2 -11.234 -23.455  14.163
    8    HG   SER   2           HG       SER   2  -9.950 -24.844  12.944
    9    H    SER   3           H        SER   3  -9.118 -19.941  12.706
   10    HA   SER   3           HA       SER   3 -11.286 -19.984  10.877
   11    HB2  SER   3           1HB      SER   3 -12.394 -17.904  11.489
   12    HB3  SER   3           2HB      SER   3 -12.465 -19.030  12.844
   13    HG   SER   3           HG       SER   3 -10.370 -17.822  13.423
   14    H    GLY   4           H        GLY   4 -10.904 -18.698   9.093
   15    HA2  GLY   4           1HA      GLY   4  -8.461 -17.040   9.208
   16    HA3  GLY   4           2HA      GLY   4  -8.784 -18.131   7.869
   17    H    SER   5           H        SER   5 -10.751 -15.728   9.620
   18    HA   SER   5           HA       SER   5 -12.125 -14.895   7.293
   19    HB2  SER   5           1HB      SER   5 -13.096 -14.613   9.518
   20    HB3  SER   5           2HB      SER   5 -11.803 -13.500   9.963
   21    HG   SER   5           HG       SER   5 -13.475 -12.230   9.334
   22    H    SER   6           H        SER   6 -11.886 -13.102   5.996
   23    HA   SER   6           HA       SER   6  -9.219 -11.892   6.035
   24    HB2  SER   6           1HB      SER   6 -11.325 -12.112   3.881
   25    HB3  SER   6           2HB      SER   6  -9.874 -11.124   3.704
   26    HG   SER   6           HG       SER   6 -10.141 -13.737   3.312
   27    H    GLY   7           H        GLY   7  -9.313 -10.209   7.449
   28    HA2  GLY   7           1HA      GLY   7 -11.163  -8.032   6.725
   29    HA3  GLY   7           2HA      GLY   7 -10.996  -8.523   8.404
   30    H    GLU   8           H        GLU   8 -10.490  -6.083   8.367
   31    HA   GLU   8           HA       GLU   8  -8.090  -5.087   7.355
   32    HB2  GLU   8           1HB      GLU   8  -9.891  -4.299   9.606
   33    HB3  GLU   8           2HB      GLU   8  -8.324  -3.516   9.460
   34    HG2  GLU   8           1HG      GLU   8  -8.968  -2.989   7.069
   35    HG3  GLU   8           2HG      GLU   8 -10.600  -3.492   7.505
   36    H    SER   9           H        SER   9  -6.100  -4.574   8.450
   37    HA   SER   9           HA       SER   9  -5.377  -6.621  10.439
   38    HB2  SER   9           1HB      SER   9  -3.734  -5.231   8.321
   39    HB3  SER   9           2HB      SER   9  -3.007  -6.170   9.625
   40    HG   SER   9           HG       SER   9  -4.685  -7.051   7.532
   41    H    LEU  10           H        LEU  10  -3.627  -5.981  11.963
   42    HA   LEU  10           HA       LEU  10  -3.566  -3.119  12.569
   43    HB2  LEU  10           1HB      LEU  10  -4.167  -5.206  14.655
   44    HB3  LEU  10           2HB      LEU  10  -4.102  -3.460  14.883
   45    HG   LEU  10           HG       LEU  10  -6.100  -4.562  12.969
   46   HD11  LEU  10          1HD1      LEU  10  -7.196  -5.766  14.469
   47   HD12  LEU  10          2HD1      LEU  10  -7.316  -4.357  15.522
   48   HD13  LEU  10          3HD1      LEU  10  -5.936  -5.446  15.661
   49   HD21  LEU  10          1HD2      LEU  10  -6.484  -2.357  12.978
   50   HD22  LEU  10          2HD2      LEU  10  -5.596  -2.110  14.481
   51   HD23  LEU  10          3HD2      LEU  10  -7.275  -2.649  14.527
   52    H    CYS  11           H        CYS  11  -1.633  -2.418  13.282
   53    HA   CYS  11           HA       CYS  11   0.713  -3.651  12.911
   54    HB2  CYS  11           1HB      CYS  11   0.097  -1.276  13.932
   55    HB3  CYS  11           2HB      CYS  11   0.532  -2.077  15.438
   56    HA   PRO  12           HA       PRO  12   0.906  -7.106  15.656
   57    HB2  PRO  12           1HB      PRO  12   3.559  -7.624  15.402
   58    HB3  PRO  12           2HB      PRO  12   2.379  -8.017  14.146
   59    HG2  PRO  12           1HG      PRO  12   4.230  -5.672  14.339
   60    HG3  PRO  12           2HG      PRO  12   3.834  -6.671  12.929
   61    HD2  PRO  12           1HD      PRO  12   2.717  -4.241  13.353
   62    HD3  PRO  12           2HD      PRO  12   1.850  -5.562  12.543
   63    H    GLN  13           H        GLN  13   2.387  -4.101  16.165
   64    HA   GLN  13           HA       GLN  13   3.102  -4.880  18.914
   65    HB2  GLN  13           1HB      GLN  13   4.472  -2.772  17.236
   66    HB3  GLN  13           2HB      GLN  13   4.892  -3.223  18.883
   67    HG2  GLN  13           1HG      GLN  13   4.976  -5.173  16.603
   68    HG3  GLN  13           2HG      GLN  13   6.346  -4.154  17.041
   69   HE21  GLN  13          1HE2      GLN  13   7.616  -4.735  18.700
   70   HE22  GLN  13          2HE2      GLN  13   7.356  -6.120  19.699
   71    H    HIS  14           H        HIS  14   2.003  -2.265  16.795
   72    HA   HIS  14           HA       HIS  14   1.138  -0.676  19.067
   73    HB2  HIS  14           1HB      HIS  14   0.956  -0.197  16.087
   74    HB3  HIS  14           2HB      HIS  14   0.399   0.942  17.309
   75    HD2  HIS  14           2HD      HIS  14   2.591   1.897  19.017
   76    HE1  HIS  14           1HE      HIS  14   5.470   1.197  15.981
   77    HE2  HIS  14           2HE      HIS  14   5.024   2.264  18.218
   78    H    HIS  15           H        HIS  15  -0.127  -3.111  17.096
   79    HA   HIS  15           HA       HIS  15  -2.216  -3.949  16.734
   80    HB2  HIS  15           1HB      HIS  15  -3.150  -2.680  19.276
   81    HB3  HIS  15           2HB      HIS  15  -3.462  -4.298  18.655
   82    HD1  HIS  15           1HD      HIS  15  -2.232  -3.348  21.531
   83    HD2  HIS  15           2HD      HIS  15  -0.259  -5.183  18.369
   84    HE1  HIS  15           1HE      HIS  15  -0.222  -4.463  22.550
   85    H    GLU  16           H        GLU  16  -1.689  -1.294  15.687
   86    HA   GLU  16           HA       GLU  16  -4.406  -0.158  15.758
   87    HB2  GLU  16           1HB      GLU  16  -1.707   1.109  15.488
   88    HB3  GLU  16           2HB      GLU  16  -3.105   1.896  14.769
   89    HG2  GLU  16           1HG      GLU  16  -3.002   1.078  17.656
   90    HG3  GLU  16           2HG      GLU  16  -2.461   2.654  17.081
   91    H    ALA  17           H        ALA  17  -5.486   0.199  13.871
   92    HA   ALA  17           HA       ALA  17  -5.293  -1.367  11.713
   93    HB1  ALA  17           1HB      ALA  17  -6.053   1.550  11.654
   94    HB2  ALA  17           2HB      ALA  17  -6.422   0.379  10.387
   95    HB3  ALA  17           3HB      ALA  17  -7.121   0.189  11.996
   96    H    LEU  18           H        LEU  18  -4.197  -1.513   9.798
   97    HA   LEU  18           HA       LEU  18  -1.841   0.232   9.530
   98    HB2  LEU  18           1HB      LEU  18  -2.231  -2.512   8.353
   99    HB3  LEU  18           2HB      LEU  18  -0.745  -1.566   8.383
  100    HG   LEU  18           HG       LEU  18  -2.093  -2.591  10.874
  101   HD11  LEU  18          1HD1      LEU  18  -0.042  -4.215  10.725
  102   HD12  LEU  18          2HD1      LEU  18  -0.205  -3.923   8.993
  103   HD13  LEU  18          3HD1      LEU  18  -1.556  -4.597   9.904
  104   HD21  LEU  18          1HD2      LEU  18  -0.142  -0.694  10.543
  105   HD22  LEU  18          2HD2      LEU  18   0.793  -2.162  10.829
  106   HD23  LEU  18          3HD2      LEU  18  -0.415  -1.642  12.005
  107    H    SER  19           H        SER  19  -2.853   1.855   8.332
  108    HA   SER  19           HA       SER  19  -4.089   1.123   5.791
  109    HB2  SER  19           1HB      SER  19  -5.089   2.855   7.368
  110    HB3  SER  19           2HB      SER  19  -3.755   3.910   6.904
  111    HG   SER  19           HG       SER  19  -4.495   3.920   4.819
  112    H    LEU  20           H        LEU  20  -1.065   1.288   6.678
  113    HA   LEU  20           HA       LEU  20  -0.188   2.478   4.141
  114    HB2  LEU  20           1HB      LEU  20   1.057   2.917   6.849
  115    HB3  LEU  20           2HB      LEU  20   1.827   3.350   5.324
  116    HG   LEU  20           HG       LEU  20  -0.798   4.496   6.263
  117   HD11  LEU  20          1HD1      LEU  20   1.000   5.096   7.812
  118   HD12  LEU  20          2HD1      LEU  20   0.453   6.488   6.879
  119   HD13  LEU  20          3HD1      LEU  20   1.966   5.686   6.460
  120   HD21  LEU  20          1HD2      LEU  20   1.051   5.036   3.966
  121   HD22  LEU  20          2HD2      LEU  20  -0.042   6.280   4.572
  122   HD23  LEU  20          3HD2      LEU  20  -0.691   4.762   3.951
  123    H    PHE  21           H        PHE  21   1.960   1.733   3.455
  124    HA   PHE  21           HA       PHE  21   2.855  -0.766   4.677
  125    HB2  PHE  21           1HB      PHE  21   1.330  -1.573   3.013
  126    HB3  PHE  21           2HB      PHE  21   1.982  -0.475   1.800
  127    HD1  PHE  21           1HD      PHE  21   2.651  -3.516   3.764
  128    HD2  PHE  21           2HD      PHE  21   3.924  -1.027   0.554
  129    HE1  PHE  21           1HE      PHE  21   4.218  -5.266   3.032
  130    HE2  PHE  21           2HE      PHE  21   5.492  -2.774  -0.183
  131    HZ   PHE  21           HZ       PHE  21   5.640  -4.897   1.056
  132    H    CYS  22           H        CYS  22   5.013  -0.985   4.669
  133    HA   CYS  22           HA       CYS  22   6.580   1.120   3.399
  134    HB2  CYS  22           1HB      CYS  22   6.911   0.511   5.812
  135    HB3  CYS  22           2HB      CYS  22   7.521  -1.052   5.279
  136    H    TYR  23           H        TYR  23   7.415   0.804   1.455
  137    HA   TYR  23           HA       TYR  23   7.485  -1.731   0.185
  138    HB2  TYR  23           1HB      TYR  23   8.272   1.040  -0.506
  139    HB3  TYR  23           2HB      TYR  23   9.095  -0.241  -1.389
  140    HD1  TYR  23           1HD      TYR  23   7.645  -1.977  -2.585
  141    HD2  TYR  23           2HD      TYR  23   6.119   1.717  -1.126
  142    HE1  TYR  23           1HE      TYR  23   5.711  -2.189  -4.089
  143    HE2  TYR  23           2HE      TYR  23   4.180   1.515  -2.625
  144    HH   TYR  23           HH       TYR  23   3.438   0.411  -4.536
  145    H    GLU  24           H        GLU  24  10.101   0.422   1.297
  146    HA   GLU  24           HA       GLU  24  12.271  -1.157   0.687
  147    HB2  GLU  24           1HB      GLU  24  11.725   0.908   2.756
  148    HB3  GLU  24           2HB      GLU  24  13.169  -0.074   2.960
  149    HG2  GLU  24           1HG      GLU  24  13.596   0.567   0.463
  150    HG3  GLU  24           2HG      GLU  24  12.503   1.899   0.834
  151    H    ASP  25           H        ASP  25  10.241  -1.273   3.587
  152    HA   ASP  25           HA       ASP  25  11.715  -3.567   4.604
  153    HB2  ASP  25           1HB      ASP  25   9.335  -2.077   5.732
  154    HB3  ASP  25           2HB      ASP  25  10.186  -3.386   6.547
  155    H    GLN  26           H        GLN  26   9.518  -3.236   2.278
  156    HA   GLN  26           HA       GLN  26   7.719  -4.448   1.488
  157    HB2  GLN  26           1HB      GLN  26  10.030  -6.208   2.001
  158    HB3  GLN  26           2HB      GLN  26   8.503  -7.038   1.732
  159    HG2  GLN  26           1HG      GLN  26   9.503  -6.893  -0.374
  160    HG3  GLN  26           2HG      GLN  26   8.272  -5.632  -0.362
  161   HE21  GLN  26          1HE2      GLN  26   9.114  -4.191  -1.741
  162   HE22  GLN  26          2HE2      GLN  26  10.644  -3.413  -1.542
  163    H    GLU  27           H        GLU  27   7.319  -3.730   4.210
  164    HA   GLU  27           HA       GLU  27   5.603  -5.963   5.032
  165    HB2  GLU  27           1HB      GLU  27   6.211  -5.660   7.369
  166    HB3  GLU  27           2HB      GLU  27   7.636  -6.045   6.414
  167    HG2  GLU  27           1HG      GLU  27   8.011  -3.511   6.316
  168    HG3  GLU  27           2HG      GLU  27   6.848  -3.430   7.637
  169    H    ALA  28           H        ALA  28   3.878  -5.301   6.528
  170    HA   ALA  28           HA       ALA  28   2.771  -2.755   5.705
  171    HB1  ALA  28           1HB      ALA  28   0.751  -3.623   6.203
  172    HB2  ALA  28           2HB      ALA  28   1.626  -5.154   6.146
  173    HB3  ALA  28           3HB      ALA  28   1.320  -4.370   7.696
  174    H    VAL  29           H        VAL  29   2.338  -1.014   7.006
  175    HA   VAL  29           HA       VAL  29   3.173  -1.158   9.818
  176    HB   VAL  29           HB       VAL  29   4.234   1.093   9.587
  177   HG11  VAL  29          1HG1      VAL  29   5.746  -0.676   9.765
  178   HG12  VAL  29          2HG1      VAL  29   5.345  -1.302   8.165
  179   HG13  VAL  29          3HG1      VAL  29   6.276   0.188   8.322
  180   HG21  VAL  29          1HG2      VAL  29   4.770   1.998   7.463
  181   HG22  VAL  29          2HG2      VAL  29   4.213   0.549   6.626
  182   HG23  VAL  29          3HG2      VAL  29   3.049   1.611   7.419
  183    H    CYS  30           H        CYS  30   2.414   0.724  11.092
  184    HA   CYS  30           HA       CYS  30  -0.266   1.501  10.195
  185    HB2  CYS  30           1HB      CYS  30  -0.804   1.871  12.497
  186    HB3  CYS  30           2HB      CYS  30   0.047   0.333  12.403
  187    H    LEU  31           H        LEU  31  -0.981   3.712  11.110
  188    HA   LEU  31           HA       LEU  31   0.270   5.744   9.776
  189    HB2  LEU  31           1HB      LEU  31  -1.961   5.934  10.726
  190    HB3  LEU  31           2HB      LEU  31  -1.284   5.940  12.353
  191    HG   LEU  31           HG       LEU  31  -0.525   8.075  10.395
  192   HD11  LEU  31          1HD1      LEU  31  -3.063   7.789  10.574
  193   HD12  LEU  31          2HD1      LEU  31  -2.388   9.386  10.898
  194   HD13  LEU  31          3HD1      LEU  31  -2.876   8.348  12.237
  195   HD21  LEU  31          1HD2      LEU  31  -0.928   8.911  13.093
  196   HD22  LEU  31          2HD2      LEU  31   0.563   8.882  12.151
  197   HD23  LEU  31          3HD2      LEU  31   0.080   7.464  13.083
  198    H    ILE  32           H        ILE  32   0.711   4.902  13.205
  199    HA   ILE  32           HA       ILE  32   2.577   6.883  13.834
  200    HB   ILE  32           HB       ILE  32   2.389   4.103  15.000
  201   HG12  ILE  32          1HG1      ILE  32   1.196   6.638  16.115
  202   HG13  ILE  32          2HG1      ILE  32   0.300   5.585  15.024
  203   HG21  ILE  32          1HG2      ILE  32   3.627   6.618  16.112
  204   HG22  ILE  32          2HG2      ILE  32   3.470   5.083  16.965
  205   HG23  ILE  32          3HG2      ILE  32   4.498   5.196  15.537
  206   HD11  ILE  32          1HD1      ILE  32   1.544   4.318  17.385
  207   HD12  ILE  32          2HD1      ILE  32   0.163   5.378  17.667
  208   HD13  ILE  32          3HD1      ILE  32   0.003   3.988  16.593
  209    H    CYS  33           H        CYS  33   3.361   3.434  13.377
  210    HA   CYS  33           HA       CYS  33   6.024   3.443  13.248
  211    HB2  CYS  33           1HB      CYS  33   4.038   1.989  11.534
  212    HB3  CYS  33           2HB      CYS  33   5.763   1.771  11.256
  213    H    ALA  34           H        ALA  34   3.982   4.301  10.461
  214    HA   ALA  34           HA       ALA  34   5.855   4.823   8.553
  215    HB1  ALA  34           1HB      ALA  34   3.282   6.235   9.180
  216    HB2  ALA  34           2HB      ALA  34   4.270   6.675   7.787
  217    HB3  ALA  34           3HB      ALA  34   3.612   5.045   7.921
  218    H    ILE  35           H        ILE  35   4.690   7.192  10.952
  219    HA   ILE  35           HA       ILE  35   6.066   9.415  10.366
  220    HB   ILE  35           HB       ILE  35   5.888   8.219  13.134
  221   HG12  ILE  35          1HG1      ILE  35   4.068  10.080  11.596
  222   HG13  ILE  35          2HG1      ILE  35   3.695   8.452  12.153
  223   HG21  ILE  35          1HG2      ILE  35   7.477   9.912  13.328
  224   HG22  ILE  35          2HG2      ILE  35   6.658  10.944  12.157
  225   HG23  ILE  35          3HG2      ILE  35   5.965  10.711  13.762
  226   HD11  ILE  35          1HD1      ILE  35   3.808  10.999  13.670
  227   HD12  ILE  35          2HD1      ILE  35   2.633   9.685  13.742
  228   HD13  ILE  35          3HD1      ILE  35   4.212   9.499  14.506
  229    H    SER  36           H        SER  36   7.461   6.578  11.969
  230    HA   SER  36           HA       SER  36  10.071   7.735  12.190
  231    HB2  SER  36           1HB      SER  36  10.768   5.573  13.010
  232    HB3  SER  36           2HB      SER  36   9.196   5.949  13.714
  233    HG   SER  36           HG       SER  36   9.751   4.206  11.548
  234    H    HIS  37           H        HIS  37   8.669   5.191  10.131
  235    HA   HIS  37           HA       HIS  37  10.899   4.608   8.599
  236    HB2  HIS  37           1HB      HIS  37   7.965   4.580   7.897
  237    HB3  HIS  37           2HB      HIS  37   9.208   3.991   6.798
  238    HD2  HIS  37           2HD      HIS  37   7.224   2.829   9.881
  239    HE1  HIS  37           1HE      HIS  37  10.089  -0.174   9.002
  240    HE2  HIS  37           2HE      HIS  37   8.007   0.399  10.299
  241    H    THR  38           H        THR  38   8.214   6.517   7.266
  242    HA   THR  38           HA       THR  38   9.433   7.638   5.132
  243    HB   THR  38           HB       THR  38   7.063   8.024   5.711
  244    HG1  THR  38           1HG      THR  38   8.795  10.099   4.964
  245   HG21  THR  38          1HG2      THR  38   8.041   8.923   8.125
  246   HG22  THR  38          2HG2      THR  38   6.385   9.113   7.549
  247   HG23  THR  38          3HG2      THR  38   7.556  10.410   7.314
  248    H    HIS  39           H        HIS  39   9.868   8.571   8.481
  249    HA   HIS  39           HA       HIS  39  11.320  10.969   7.915
  250    HB2  HIS  39           1HB      HIS  39  10.714   9.359  10.353
  251    HB3  HIS  39           2HB      HIS  39  12.054  10.500  10.424
  252    HD1  HIS  39           1HD      HIS  39   8.736  11.036   8.673
  253    HD2  HIS  39           2HD      HIS  39  10.917  12.497  11.894
  254    HE1  HIS  39           1HE      HIS  39   7.449  13.028   9.508
  255    H    ARG  40           H        ARG  40  12.167   7.616   8.555
  256    HA   ARG  40           HA       ARG  40  15.006   8.194   8.589
  257    HB2  ARG  40           1HB      ARG  40  13.325   5.750   8.964
  258    HB3  ARG  40           2HB      ARG  40  15.025   5.559   8.558
  259    HG2  ARG  40           1HG      ARG  40  14.308   7.377  10.796
  260    HG3  ARG  40           2HG      ARG  40  14.201   5.634  11.054
  261    HD2  ARG  40           1HD      ARG  40  16.372   6.033  11.685
  262    HD3  ARG  40           2HD      ARG  40  16.589   5.639   9.981
  263    HE   ARG  40           HE       ARG  40  16.245   8.450  10.542
  264   HH11  ARG  40          2HH1      ARG  40  18.496   5.822  10.162
  265   HH12  ARG  40          1HH1      ARG  40  19.839   6.853   9.792
  266   HH21  ARG  40          2HH2      ARG  40  18.006   9.818  10.057
  267   HH22  ARG  40          1HH2      ARG  40  19.559   9.126   9.734
  268    H    ALA  41           H        ALA  41  13.158   8.562   6.173
  269    HA   ALA  41           HA       ALA  41  13.465   8.529   3.912
  270    HB1  ALA  41           1HB      ALA  41  16.056   8.084   4.947
  271    HB2  ALA  41           2HB      ALA  41  15.828   6.968   3.599
  272    HB3  ALA  41           3HB      ALA  41  15.605   8.700   3.357
  273    H    HIS  42           H        HIS  42  11.894   6.575   5.166
  274    HA   HIS  42           HA       HIS  42  12.412   4.178   3.537
  275    HB2  HIS  42           1HB      HIS  42  11.246   4.585   6.237
  276    HB3  HIS  42           2HB      HIS  42  10.530   3.316   5.248
  277    HD2  HIS  42           2HD      HIS  42  14.400   3.949   5.257
  278    HE1  HIS  42           1HE      HIS  42  13.611   0.195   7.069
  279    HE2  HIS  42           2HE      HIS  42  15.392   1.810   6.319
  280    H    THR  43           H        THR  43  11.055   3.691   1.936
  281    HA   THR  43           HA       THR  43   9.039   5.447   1.096
  282    HB   THR  43           HB       THR  43   9.293   2.535   0.323
  283    HG1  THR  43           1HG      THR  43  11.258   3.444  -0.122
  284   HG21  THR  43          1HG2      THR  43   7.346   4.348  -0.351
  285   HG22  THR  43          2HG2      THR  43   7.794   2.931  -1.301
  286   HG23  THR  43          3HG2      THR  43   8.490   4.506  -1.683
  287    H    VAL  44           H        VAL  44   6.885   5.545   1.424
  288    HA   VAL  44           HA       VAL  44   5.495   3.333   2.710
  289    HB   VAL  44           HB       VAL  44   5.670   6.083   3.942
  290   HG11  VAL  44          1HG1      VAL  44   3.802   3.802   4.567
  291   HG12  VAL  44          2HG1      VAL  44   4.061   5.191   5.624
  292   HG13  VAL  44          3HG1      VAL  44   3.368   5.420   4.018
  293   HG21  VAL  44          1HG2      VAL  44   7.492   4.506   4.484
  294   HG22  VAL  44          2HG2      VAL  44   6.510   4.921   5.889
  295   HG23  VAL  44          3HG2      VAL  44   6.293   3.364   5.090
  296    H    VAL  45           H        VAL  45   3.658   3.033   1.651
  297    HA   VAL  45           HA       VAL  45   2.182   5.371   0.659
  298    HB   VAL  45           HB       VAL  45   1.693   4.309  -1.445
  299   HG11  VAL  45          1HG1      VAL  45   4.577   4.504  -0.675
  300   HG12  VAL  45          2HG1      VAL  45   4.120   4.012  -2.307
  301   HG13  VAL  45          3HG1      VAL  45   3.613   5.582  -1.684
  302   HG21  VAL  45          1HG2      VAL  45   2.372   2.157  -2.076
  303   HG22  VAL  45          2HG2      VAL  45   3.526   2.035  -0.748
  304   HG23  VAL  45          3HG2      VAL  45   1.794   1.967  -0.420
  305    HA   PRO  46           HA       PRO  46  -1.326   3.433   2.464
  306    HB2  PRO  46           1HB      PRO  46  -3.298   4.486   0.923
  307    HB3  PRO  46           2HB      PRO  46  -2.422   5.425   2.138
  308    HG2  PRO  46           1HG      PRO  46  -2.015   5.316  -0.826
  309    HG3  PRO  46           2HG      PRO  46  -2.016   6.724   0.252
  310    HD2  PRO  46           1HD      PRO  46   0.267   5.577  -0.645
  311    HD3  PRO  46           2HD      PRO  46   0.149   6.349   0.950
  312    H    LEU  47           H        LEU  47  -2.663   1.678   2.204
  313    HA   LEU  47           HA       LEU  47  -2.245   0.097  -0.189
  314    HB2  LEU  47           1HB      LEU  47  -3.443  -0.409   2.503
  315    HB3  LEU  47           2HB      LEU  47  -3.752  -1.526   1.175
  316    HG   LEU  47           HG       LEU  47  -1.186  -1.656   0.972
  317   HD11  LEU  47          1HD1      LEU  47  -0.551  -1.362   3.650
  318   HD12  LEU  47          2HD1      LEU  47  -1.496   0.077   3.271
  319   HD13  LEU  47          3HD1      LEU  47  -0.056  -0.304   2.329
  320   HD21  LEU  47          1HD2      LEU  47  -1.140  -3.520   2.394
  321   HD22  LEU  47          2HD2      LEU  47  -2.823  -3.384   1.885
  322   HD23  LEU  47          3HD2      LEU  47  -2.338  -2.826   3.487
  323    H    SER  48           H        SER  48  -5.159   0.869   1.722
  324    HA   SER  48           HA       SER  48  -6.800   0.538  -0.653
  325    HB2  SER  48           1HB      SER  48  -8.699   0.726   0.863
  326    HB3  SER  48           2HB      SER  48  -7.526  -0.414   1.522
  327    HG   SER  48           HG       SER  48  -8.401   1.195   3.024
  328    H    GLY  49           H        GLY  49  -4.967   2.764  -0.598
  329    HA2  GLY  49           1HA      GLY  49  -5.094   4.911  -1.471
  330    HA3  GLY  49           2HA      GLY  49  -6.841   4.848  -1.289
  331    HA   PRO  50           HA       PRO  50  -4.877   7.647   1.950
  332    HB2  PRO  50           1HB      PRO  50  -6.080   9.944   1.145
  333    HB3  PRO  50           2HB      PRO  50  -4.520   9.405   0.514
  334    HG2  PRO  50           1HG      PRO  50  -7.245   9.141  -0.696
  335    HG3  PRO  50           2HG      PRO  50  -5.716   9.594  -1.471
  336    HD2  PRO  50           1HD      PRO  50  -6.758   7.101  -1.651
  337    HD3  PRO  50           2HD      PRO  50  -5.009   7.407  -1.642
  338    H    SER  51           H        SER  51  -5.893   7.820   3.851
  339    HA   SER  51           HA       SER  51  -8.838   7.746   3.859
  340    HB2  SER  51           1HB      SER  51  -7.505   5.791   4.869
  341    HB3  SER  51           2HB      SER  51  -7.094   6.908   6.170
  342    HG   SER  51           HG       SER  51  -8.918   6.010   6.887
  343    H    SER  52           H        SER  52  -9.095   9.995   3.772
  344    HA   SER  52           HA       SER  52  -8.158  11.459   6.151
  345    HB2  SER  52           1HB      SER  52  -7.417  12.227   3.813
  346    HB3  SER  52           2HB      SER  52  -9.085  12.755   3.591
  347    HG   SER  52           HG       SER  52  -8.812  14.301   5.053
  348    H    GLY  53           H        GLY  53  -9.603  12.575   7.397
  349    HA2  GLY  53           1HA      GLY  53 -11.699  13.595   7.855
  350    HA3  GLY  53           2HA      GLY  53 -12.404  12.675   6.534