*HEADER    PROTEIN BINDING                         29-MAR-06   2DID              
*TITLE     ONE SEQUENCE TWO FOLD ? : CORRECT FOLD OF THE ZF-B-BOX                
*TITLE    2 DOMAIN 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 2DID    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   1.90  5.00E+00
39 HIST ND1   401  ZN   ZN   1.90  5.00E+00
42 HIST ND1   401  ZN   ZN   1.90  5.00E+00
22 CYSS SG  39 HIST ND1   3.32  5.00E+00
22 CYSS SG  42 HIST ND1   3.32  5.00E+00
39 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
25 ASP OD1   401 ZN   ZN   2.10  5.00E+00
22 CYSS CB   401 ZN   ZN   3.51  5.00E+00
39 HIST ND1   401  ZN   ZN   2.10  5.00E+00
42 HIST ND1   401  ZN   ZN   2.10  5.00E+00
22 CYSS SG  39 HIST ND1   3.72  5.00E+00
22 CYSS SG  42 HIST ND1   3.72  5.00E+00
39 HIST ND1  42 HIST ND1   3.60  5.00E+00
  7 GLY  QA      8 GLU  HN      3.44 #SUP  0.93  #QF  0.93
  8 GLU  HN      8 GLU  HB2     4.15 #SUP  1.00
  8 GLU  HN      8 GLU  HB3     4.15 #SUP  0.99  #QF  0.99
  8 GLU  HN      8 GLU  QG      4.20 #SUP  1.00
  8 GLU  HN      9 SER  HN      4.48 #SUP  0.97  #QF  0.97
  8 GLU  HA      9 SER  HN      3.29 #SUP  0.94  #QF  0.94
  9 SER  HN     10 LEU  HN      4.84 #SUP  0.99  #QF  0.99
  9 SER  HA     10 LEU  HN      2.98 #SUP  0.99  #QF  0.92
  9 SER  HB2    10 LEU  HN      4.33 #SUP  1.00
  9 SER  HB3    10 LEU  HN      4.33 #SUP  1.00
 10 LEU  HN     10 LEU  HB2     3.95 #SUP  0.99  #QF  0.99
 10 LEU  HN     10 LEU  HB3     3.95 #SUP  1.00
 10 LEU  HN     18 LEU  HG      3.85 #SUP  0.85  #QF  0.85
 10 LEU  HA     11 CYSS HN      2.92 #SUP  0.95  #QF  0.95
 10 LEU  HA     18 LEU  HN      3.78 #SUP  0.97  #QF  0.97
 10 LEU  HB2    11 CYSS HN      4.23 #SUP  1.00
 10 LEU  HB3    11 CYSS HN      4.23 #SUP  0.99  #QF  0.99
 10 LEU  QD2    11 CYSS HN      4.17 #SUP  0.99  #QF  0.99
 10 LEU  QD2    17 ALA  HN      3.77 #SUP  0.98  #QF  0.98
 11 CYSS HN     11 CYSS HB2     3.10 #SUP  0.99  #QF  0.99
 11 CYSS HN     11 CYSS HB3     2.99 #SUP  0.99  #QF  0.99
 11 CYSS HN     15 HIS  HN      4.63 #SUP  1.00
 11 CYSS HN     15 HIS  HA      3.94 #SUP  0.99  #QF  0.99
 11 CYSS HN     16 GLU  HN      3.67 #SUP  1.00
 11 CYSS HN     18 LEU  HN      4.51 #SUP  1.00
 11 CYSS HN     18 LEU  HG      3.78 #SUP  1.00
 11 CYSS HN     18 LEU  QD2     3.85 #SUP  1.00
 11 CYSS HN     30 CYSS HB2     4.91 #SUP  0.99  #QF  0.99
 11 CYSS HN     30 CYSS HB3     4.44 #SUP  1.00
 11 CYSS HA     13 GLN  HN      4.54 #SUP  1.00
 11 CYSS HB2    13 GLN  HN      4.84 #SUP  1.00
 11 CYSS HB3    13 GLN  HN      4.50 #SUP  1.00
 11 CYSS HB2    14 HIST HN      3.94 #SUP  0.99  #QF  0.99
 11 CYSS HB3    14 HIST HN      3.66 #SUP  0.99  #QF  0.99
 11 CYSS HB3    15 HIS  HN      3.63 #SUP  1.00
 11 CYSS HB3    16 GLU  HN      2.97 #SUP  0.98  #QF  0.98
 12 PRO  HB2    13 GLN  HN      4.58 #SUP  1.00
 12 PRO  QG     13 GLN  HN      3.76 #SUP  0.99  #QF  0.99
 12 PRO  HD2    13 GLN  HN      3.58 #SUP  1.00  #QF  0.98
 12 PRO  HD3    13 GLN  HN      3.99 #SUP  1.00
 13 GLN  HN     13 GLN  QB      3.08 #SUP  0.97  #QF  0.97
 13 GLN  HN     13 GLN  HG2     4.80 #SUP  0.95  #QF  0.95
 13 GLN  HN     14 HIST HN      3.03 #SUP  0.99  #QF  0.99
 13 GLN  HN     15 HIS  HN      4.28 #SUP  1.00
 12 PRO  HD2    14 HIST HN      4.70 #SUP  1.00  #QF  0.48
 13 GLN  QB     14 HIST HN      3.31 #SUP  0.89  #QF  0.89
 14 HIST HN     14 HIST HB2     3.84 #SUP  0.99  #QF  0.99
 14 HIST HN     14 HIST HB3     3.84 #SUP  1.00
 14 HIST HN     15 HIS  HN      3.16 #SUP  1.00
 14 HIST HN     15 HIS  HA      4.36 #SUP  1.00
 14 HIST HN     16 GLU  HN      4.54 #SUP  1.00
 14 HIST HB2    16 GLU  HN      4.06 #SUP  1.00
 14 HIST HB3    16 GLU  HN      4.06 #SUP  0.97  #QF  0.97
 15 HIS  HN     16 GLU  HN      3.39 #SUP  0.99  #QF  0.99
 15 HIS  HA     16 GLU  HN      3.30 #SUP  0.99  #QF  0.99
 16 GLU  HN     16 GLU  HB2     4.10 #SUP  1.00
 16 GLU  HN     16 GLU  HG2     4.38 #SUP  1.00
 16 GLU  HN     16 GLU  HB3     4.10 #SUP  1.00
 16 GLU  HN     16 GLU  HG3     4.38 #SUP  1.00
 16 GLU  HN     17 ALA  HN      4.89 #SUP  1.00
 16 GLU  HN     30 CYSS HB3     4.88 #SUP  1.00
 16 GLU  HA     17 ALA  HN      2.85 #SUP  0.90  #QF  0.90
 16 GLU  HB2    31 LEU  HN      4.99 #SUP  0.98  #QF  0.98
 16 GLU  HB3    31 LEU  HN      4.99 #SUP  0.97  #QF  0.97
 17 ALA  HN     17 ALA  QB      2.84 #SUP  0.95  #QF  0.95
 17 ALA  HN     18 LEU  HN      4.62 #SUP  1.00
 17 ALA  HA     18 LEU  HN      2.81 #SUP  0.91  #QF  0.81
 18 LEU  HN     18 LEU  HB2     3.72 #SUP  1.00
 18 LEU  HN     18 LEU  HB3     3.72 #SUP  1.00
 18 LEU  HN     18 LEU  HG      3.38 #SUP  1.00
 18 LEU  HN     18 LEU  QD2     3.81 #SUP  1.00
 18 LEU  HN     19 SER  HN      4.63 #SUP  1.00
 18 LEU  HA     19 SER  HN      3.05 #SUP  0.98  #QF  0.98
 18 LEU  HA     20 LEU  HN      4.11 #SUP  0.94  #QF  0.94
 18 LEU  HB2    19 SER  HN      4.63 #SUP  1.00
 18 LEU  HB3    19 SER  HN      4.63 #SUP  1.00
 18 LEU  QD2    29 VAL  HN      4.31 #SUP  0.96  #QF  0.96
 18 LEU  QD2    30 CYSS HN      3.88 #SUP  0.99  #QF  0.99
 19 SER  HN     19 SER  HB2     3.98 #SUP  1.00
 19 SER  HN     19 SER  HB3     3.98 #SUP  1.00
 19 SER  HN     20 LEU  HN      3.05 #SUP  0.99  #QF  0.99
 19 SER  HN     20 LEU  HG      4.33 #SUP  0.97  #QF  0.97
 19 SER  HN     30 CYSS HA      3.55 #SUP  0.99  #QF  0.99
 19 SER  HN     30 CYSS HB2     5.05 #SUP  1.00
 19 SER  HN     30 CYSS HB3     5.08 #SUP  1.00
 46 PRO  HA     47 LEU  HN      2.95 #SUP  0.97  #QF  0.97
 20 LEU  HN     20 LEU  HB2     3.39 #SUP  1.00
 20 LEU  HN     20 LEU  HB3     3.95 #SUP  1.00
 20 LEU  HN     20 LEU  HG      3.63 #SUP  1.00
 20 LEU  HN     21 PHE  HN      4.83 #SUP  1.00
 20 LEU  HN     29 VAL  HN      4.28 #SUP  0.98  #QF  0.98
 20 LEU  HN     30 CYSS HA      4.48 #SUP  0.98  #QF  0.98
 20 LEU  HN     47 LEU  HN      4.84 #SUP  0.99  #QF  0.99
 20 LEU  HN     29 VAL  QG2     4.24 #SUP  0.95  #QF  0.95
 20 LEU  HN     47 LEU  QD1     4.41 #SUP  0.86  #QF  0.86
 20 LEU  HA     21 PHE  HN      3.23 #SUP  0.98  #QF  0.98
 20 LEU  HA     47 LEU  HN      3.32 #SUP  0.97  #QF  0.97
 20 LEU  HB3    21 PHE  HN      3.53 #SUP  0.97  #QF  0.97
 20 LEU  HB2    29 VAL  HN      4.42 #SUP  0.97  #QF  0.97
 20 LEU  HB3    29 VAL  HN      4.85 #SUP  0.99  #QF  0.99
 20 LEU  QD1    34 ALA  HN      4.58 #SUP  0.95  #QF  0.95
 20 LEU  QD2    47 LEU  HN      3.88 #SUP  1.00
 21 PHE  HN     21 PHE  HB2     3.82 #SUP  0.99  #QF  0.99
 21 PHE  HN     21 PHE  HB3     3.82 #SUP  1.00
 21 PHE  HN     22 CYSS HN      4.88 #SUP  1.00
 21 PHE  HN     29 VAL  QG2     4.74 #SUP  0.99  #QF  0.99
 21 PHE  HN     44 VAL  HA      4.84 #SUP  0.93  #QF  0.93
 21 PHE  HN     44 VAL  QG1     3.68 #SUP  0.99  #QF  0.89
 21 PHE  HN     45 VAL  HN      3.61 #SUP  1.00
 21 PHE  HN     45 VAL  QG2     4.16 #SUP  0.98  #QF  0.98
 21 PHE  HN     46 PRO  HA      4.34 #SUP  0.95  #QF  0.95
 21 PHE  HN     47 LEU  HN      4.69 #SUP  1.00
 20 LEU  HB2    21 PHE  HN      4.01 #SUP  0.91  #QF  0.66
 21 PHE  HN     47 LEU  HG      4.36 #SUP  0.91  #QF  0.66
 21 PHE  HA     22 CYSS HN      3.11 #SUP  0.96  #QF  0.96
 21 PHE  HA     29 VAL  HN      3.87 #SUP  0.92  #QF  0.92
 21 PHE  HZ     27 GLU  HN      4.93 #SUP  0.99  #QF  0.99
 21 PHE  QE     27 GLU  HN      4.61 #SUP  0.97  #QF  0.97
 21 PHE  QD     22 CYSS HN      4.42 #SUP  1.00
 22 CYSS HN     22 CYSS HB3     3.32 #SUP  0.98  #QF  0.98
 22 CYSS HN     22 CYSS HB2     3.52 #SUP  1.00
 22 CYSS HN     27 GLU  HN      3.87 #SUP  0.98  #QF  0.98
 22 CYSS HN     28 ALA  HA      3.81 #SUP  0.99  #QF  0.99
 22 CYSS HN     29 VAL  HN      4.28 #SUP  1.00
 22 CYSS HN     29 VAL  QG1     4.08 #SUP  0.98  #QF  0.98
 22 CYSS HN     29 VAL  QG2     4.17 #SUP  1.00
 22 CYSS HA     23 TYR  HN      3.00 #SUP  0.94  #QF  0.94
 22 CYSS HA     24 GLU  HN      4.62 #SUP  0.96  #QF  0.96
 22 CYSS HA     45 VAL  HN      4.29 #SUP  0.93  #QF  0.93
 22 CYSS HB3    23 TYR  HN      4.89 #SUP  1.00
 22 CYSS HB2    23 TYR  HN      4.54 #SUP  0.99  #QF  0.99
 22 CYSS HB3    25 ASP  HN      4.13 #SUP  0.98  #QF  0.98
 22 CYSS HB3    26 GLN  HN      4.69 #SUP  0.99  #QF  0.99
 22 CYSS HB3    27 GLU  HN      3.77 #SUP  0.98  #QF  0.98
 23 TYR  HN     23 TYR  HB2     3.53 #SUP  0.99  #QF  0.99
 23 TYR  HN     23 TYR  HB3     3.53 #SUP  1.00
 23 TYR  HN     24 GLU  HN      3.75 #SUP  1.00
 23 TYR  HN     43 THR  HB      4.44 #SUP  0.94  #QF  0.94
 23 TYR  HN     44 VAL  HA      4.04 #SUP  0.91  #QF  0.91
 23 TYR  HA     26 GLN  HN      4.48 #SUP  0.98  #QF  0.98
 23 TYR  HA     26 GLN  HE21    3.90 #SUP  0.90  #QF  0.90
 23 TYR  HB2    24 GLU  HN      4.00 #SUP  1.00
 23 TYR  HB3    24 GLU  HN      4.00 #SUP  1.00
 24 GLU  HN     24 GLU  HB2     3.95 #SUP  1.00
 24 GLU  HN     24 GLU  HB3     3.95 #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      3.70 #SUP  1.00
 24 GLU  HN     26 GLN  HN      4.94 #SUP  0.98  #QF  0.98
 24 GLU  HN     43 THR  HN      4.38 #SUP  0.93  #QF  0.93
 24 GLU  HN     43 THR  HB      4.67 #SUP  0.98  #QF  0.98
 24 GLU  HA     26 GLN  HN      4.95 #SUP  0.99  #QF  0.99
 24 GLU  HB2    25 ASP  HN      4.11 #SUP  1.00
 24 GLU  HB3    25 ASP  HN      4.11 #SUP  0.99  #QF  0.99
 22 CYSS HB2    25 ASP  HN      5.24 #SUP  1.00  #QF  0.98
 25 ASP  HN     25 ASP  HB2     3.81 #SUP  1.00
 25 ASP  HN     25 ASP  HB3     3.81 #SUP  0.99  #QF  0.99
 25 ASP  HN     26 GLN  HN      3.21 #SUP  0.99  #QF  0.99
 25 ASP  HN     27 GLU  HN      4.63 #SUP  1.00
 25 ASP  HB2    26 GLN  HN      4.70 #SUP  1.00
 25 ASP  HB3    26 GLN  HN      4.70 #SUP  0.99  #QF  0.99
 25 ASP  HB2    27 GLU  HN      4.80 #SUP  1.00
 25 ASP  HB3    27 GLU  HN      4.80 #SUP  1.00
 26 GLN  HN     26 GLN  HA      2.92 #SUP  1.00
 26 GLN  HN     27 GLU  HN      3.45 #SUP  0.99  #QF  0.99
 26 GLN  HA     26 GLN  HE21    4.82 #SUP  0.99  #QF  0.99
 26 GLN  HA     26 GLN  HE22    4.82 #SUP  1.00
 26 GLN  HA     27 GLU  HN      3.38 #SUP  0.98  #QF  0.98
 26 GLN  QG     26 GLN  HE21    3.38 #SUP  0.82  #QF  0.82
 26 GLN  QG     26 GLN  HE22    3.38 #SUP  0.82  #QF  0.82
 26 GLN  QG     27 GLU  HN      5.22 #SUP  0.98  #QF  0.98
 27 GLU  HN     28 ALA  HN      4.49 #SUP  1.00
 27 GLU  HA     28 ALA  HN      2.80 #SUP  0.91  #QF  0.91
 27 GLU  HB2    28 ALA  HN      4.20 #SUP  0.98  #QF  0.98
 27 GLU  HB3    28 ALA  HN      4.20 #SUP  1.00
 27 GLU  HG2    28 ALA  HN      4.86 #SUP  1.00
 28 ALA  HN     28 ALA  QB      3.07 #SUP  0.83  #QF  0.83
 28 ALA  HA     29 VAL  HN      2.91 #SUP  0.91  #QF  0.91
 28 ALA  QB     29 VAL  HN      3.53 #SUP  0.90  #QF  0.90
 29 VAL  HN     29 VAL  QG1     3.70 #SUP  0.98  #QF  0.98
 29 VAL  HN     29 VAL  QG2     3.28 #SUP  0.99  #QF  0.99
 29 VAL  HA     30 CYSS HN      3.26 #SUP  0.99  #QF  0.99
 29 VAL  HB     30 CYSS HN      3.28 #SUP  0.99  #QF  0.99
 29 VAL  HB     33 CYSS HN      4.85 #SUP  1.00
 29 VAL  HB     34 ALA  HN      4.27 #SUP  1.00
 29 VAL  QG1    30 CYSS HN      3.97 #SUP  0.99  #QF  0.99
 29 VAL  QG2    30 CYSS HN      4.05 #SUP  1.00
 30 CYSS HN     30 CYSS HB3     3.65 #SUP  0.99  #QF  0.99
 30 CYSS HN     31 LEU  HN      4.99 #SUP  1.00
 30 CYSS HN     33 CYSS HN      3.94 #SUP  0.99  #QF  0.99
 30 CYSS HN     33 CYSS HA      4.92 #SUP  1.00
 30 CYSS HN     33 CYSS HB2     3.64 #SUP  0.99  #QF  0.99
 30 CYSS HN     33 CYSS HB3     3.64 #SUP  1.00
 30 CYSS HN     34 ALA  HN      4.47 #SUP  1.00
 30 CYSS HA     31 LEU  HN      3.39 #SUP  0.99  #QF  0.99
 30 CYSS HB2    31 LEU  HN      3.41 #SUP  0.98  #QF  0.98
 30 CYSS HB3    31 LEU  HN      4.11 #SUP  1.00
 31 LEU  HN     31 LEU  HB2     3.58 #SUP  1.00
 31 LEU  HN     31 LEU  HB3     3.58 #SUP  1.00
 20 LEU  QD1    31 LEU  HN      4.19 #SUP  0.89  #QF  0.89
 31 LEU  HN     31 LEU  QD2     4.10 #SUP  0.94  #QF  0.94
 31 LEU  HN     32 ILE  HN      3.79 #SUP  0.99  #QF  0.99
 31 LEU  HA     34 ALA  HN      4.05 #SUP  0.97  #QF  0.97
 31 LEU  HG     32 ILE  HN      4.71 #SUP  1.00
 32 ILE  HN     32 ILE  HB      3.57 #SUP  1.00
 32 ILE  HN     32 ILE  QG2     4.55 #SUP  1.00
 32 ILE  HN     32 ILE  HG12    3.86 #SUP  0.95  #QF  0.95
 32 ILE  HN     32 ILE  HG13    3.86 #SUP  1.00
 32 ILE  HN     34 ALA  HN      4.83 #SUP  0.82  #QF  0.82
 32 ILE  HA     35 ILE  HN      4.04 #SUP  0.94  #QF  0.94
 32 ILE  HB     33 CYSS HN      3.67 #SUP  0.92  #QF  0.92
 32 ILE  QG2    33 CYSS HN      4.18 #SUP  0.98  #QF  0.98
 32 ILE  HG12   33 CYSS HN      5.07 #SUP  1.00
 32 ILE  HG13   33 CYSS HN      5.07 #SUP  1.00
 33 CYSS HN     33 CYSS HB2     3.90 #SUP  0.99  #QF  0.99
 33 CYSS HN     33 CYSS HB3     3.90 #SUP  1.00
 33 CYSS HN     34 ALA  HN      3.42 #SUP  1.00
 33 CYSS HA     36 SER  HN      4.26 #SUP  0.93  #QF  0.93
 34 ALA  HN     34 ALA  QB      3.08 #SUP  0.97  #QF  0.97
 34 ALA  HN     35 ILE  HN      3.72 #SUP  0.99  #QF  0.99
 34 ALA  HN     36 SER  HN      4.68 #SUP  0.99  #QF  0.99
 34 ALA  HA     36 SER  HN      4.53 #SUP  0.98  #QF  0.98
 35 ILE  HN     35 ILE  QG2     3.92 #SUP  1.00
 34 ALA  QB     35 ILE  HN      3.33 #SUP  0.98  #QF  0.77
 35 ILE  HN     35 ILE  QG1     3.50 #SUP  0.98  #QF  0.77
 35 ILE  HN     36 SER  HN      3.09 #SUP  0.97  #QF  0.97
 35 ILE  HB     36 SER  HN      4.85 #SUP  1.00
 35 ILE  QG1    36 SER  HN      4.20 #SUP  0.95  #QF  0.61
 36 SER  HN     36 SER  HB2     3.51 #SUP  0.99  #QF  0.99
 36 SER  HN     36 SER  HB3     3.51 #SUP  0.98  #QF  0.98
 38 THR  HN     38 THR  QG2     4.96 #SUP  0.99  #QF  0.99
 38 THR  HN     39 HIST HN      4.57 #SUP  0.99  #QF  0.99
 38 THR  HB     39 HIST HN      3.81 #SUP  0.98  #QF  0.98
 38 THR  QG2    39 HIST HN      4.71 #SUP  0.99  #QF  0.99
 39 HIST HN     39 HIST HB3     4.19 #SUP  1.00
 39 HIST HN     39 HIST HB2     3.79 #SUP  0.99  #QF  0.99
 39 HIST HN     40 ARG  HN      3.37 #SUP  0.81  #QF  0.81
 40 ARG  HN     40 ARG  HG2     4.75 #SUP  1.00
 40 ARG  HA     42 HIST HN      4.73 #SUP  0.93  #QF  0.93
 41 ALA  HN     42 HIST HN      3.48 #SUP  0.88  #QF  0.88
 41 ALA  QB     42 HIST HN      4.09 #SUP  0.97  #QF  0.97
 42 HIST HN     42 HIST HB3     3.66 #SUP  0.99  #QF  0.99
 42 HIST HN     42 HIST HB2     3.34 #SUP  0.97  #QF  0.97
 42 HIST HN     43 THR  HN      4.76 #SUP  1.00
 42 HIST HA     43 THR  HN      3.38 #SUP  0.99  #QF  0.99
 42 HIST HB3    43 THR  HN      3.39 #SUP  0.97  #QF  0.97
 42 HIST HB2    43 THR  HN      3.91 #SUP  0.95  #QF  0.95
 43 THR  HN     43 THR  HB      3.48 #SUP  0.96  #QF  0.96
 43 THR  HN     43 THR  QG2     4.55 #SUP  1.00
 43 THR  HA     44 VAL  HN      2.92 #SUP  0.91  #QF  0.91
 43 THR  HB     44 VAL  HN      4.51 #SUP  0.99  #QF  0.99
 44 VAL  HN     44 VAL  HB      3.48 #SUP  0.99  #QF  0.99
 44 VAL  HN     44 VAL  QG2     3.65 #SUP  0.99  #QF  0.99
 44 VAL  HA     45 VAL  HN      3.00 #SUP  0.96  #QF  0.96
 44 VAL  HB     45 VAL  HN      4.28 #SUP  1.00
 44 VAL  QG1    45 VAL  HN      3.69 #SUP  0.98  #QF  0.98
 45 VAL  HN     45 VAL  QG2     3.28 #SUP  0.99  #QF  0.93
 46 PRO  HB2    47 LEU  HN      4.02 #SUP  1.00
 46 PRO  HB3    47 LEU  HN      4.29 #SUP  1.00
 47 LEU  HN     47 LEU  HB2     3.56 #SUP  1.00
 47 LEU  HN     47 LEU  HG      3.15 #SUP  0.76  #QF  0.76
 47 LEU  HN     47 LEU  QD1     4.34 #SUP  1.00
 47 LEU  HB2    48 SER  HN      4.73 #SUP  0.97  #QF  0.97
 47 LEU  HB3    48 SER  HN      4.86 #SUP  1.00  #QF  0.99
 48 SER  HN     48 SER  QB      4.16 #SUP  1.00
 48 SER  QB     49 GLY  HN      4.70 #SUP  0.95  #QF  0.95
 21 PHE  QD     28 ALA  HN      4.48 #SUP  0.99  #QF  0.99
 21 PHE  QE     28 ALA  HN      4.63 #SUP  0.77  #QF  0.77
 43 THR  QG2    44 VAL  HN      3.61 #SUP  0.91  #QF  0.91
 23 TYR  QD     24 GLU  HN      4.65 #SUP  0.92  #QF  0.92
 42 HIST HD2    43 THR  HN      4.66 #SUP  0.89  #QF  0.89
 20 LEU  HN     20 LEU  QD1     4.17 #SUP  0.99  #QF  0.99
 20 LEU  HN     20 LEU  QD2     4.19 #SUP  0.73  #QF  0.73
 10 LEU  HN     10 LEU  QD2     4.39 #SUP  0.86  #QF  0.86
 10 LEU  HN     10 LEU  QD1     4.54 #SUP  1.00
 42 HIST HN     44 VAL  QG2     4.82 #SUP  0.87  #QF  0.87
 42 HIST HN     42 HIST HD2     4.19 #SUP  0.92  #QF  0.92
 35 ILE  QG2    36 SER  HN      4.33 #SUP  0.80  #QF  0.80
 29 VAL  QG2    34 ALA  HN      4.43 #SUP  0.75  #QF  0.75
 34 ALA  HN     35 ILE  QG2     5.49 #SUP  0.89  #QF  0.60
 34 ALA  HN     44 VAL  QG2     5.50 #SUP  0.89  #QF  0.60
 25 ASP  HN     26 GLN  HA      5.14 #SUP  0.91  #QF  0.91
 17 ALA  QB     19 SER  HN      4.87 #SUP  0.95  #QF  0.33
 19 SER  HN     20 LEU  HB2     5.11 #SUP  0.95  #QF  0.33
 18 LEU  QD2    19 SER  HN      4.06 #SUP  0.99  #QF  0.99
 23 TYR  HN     44 VAL  QG2     4.57 #SUP  0.96  #QF  0.96
 39 HIST HN     39 HIST HD2     4.11 #SUP  0.86  #QF  0.86
  8 GLU  HA      8 GLU  QG      3.71 #SUP  1.00
  9 SER  HA     10 LEU  HG      4.45 #SUP  0.88  #QF  0.88
  9 SER  HB2    18 LEU  HG      4.59 #SUP  1.00
  9 SER  HB3    18 LEU  HG      4.59 #SUP  1.00
  9 SER  HB2    18 LEU  QD1     3.78 #SUP  0.99  #QF  0.99
  9 SER  HB3    18 LEU  QD1     3.78 #SUP  0.99  #QF  0.99
 10 LEU  HN     10 LEU  HG      3.94 #SUP  1.00
 10 LEU  HA     10 LEU  HG      4.12 #SUP  1.00  #QF  0.76
 10 LEU  HA     10 LEU  QD1     4.34 #SUP  1.00
 10 LEU  HA     10 LEU  QD2     3.21 #SUP  0.99  #QF  0.99
 10 LEU  HA     15 HIS  HA      4.69 #SUP  1.00
 10 LEU  HA     17 ALA  HA      3.62 #SUP  0.94  #QF  0.94
 10 LEU  HA     18 LEU  HG      4.07 #SUP  0.99  #QF  0.99
 10 LEU  HB3    10 LEU  QD1     3.75 #SUP  1.00
 10 LEU  HB2    10 LEU  QD1     3.75 #SUP  1.00
 10 LEU  HB2    10 LEU  QD2     3.83 #SUP  1.00
 10 LEU  HB3    10 LEU  QD2     3.83 #SUP  1.00
 10 LEU  HB2    15 HIS  HA      4.00 #SUP  1.00
 10 LEU  HB3    15 HIS  HA      4.00 #SUP  0.98  #QF  0.98
 10 LEU  QD1    15 HIS  HA      3.87 #SUP  1.00
 10 LEU  QD2    18 LEU  HN      4.06 #SUP  0.98  #QF  0.98
 10 LEU  QD2    16 GLU  HA      3.91 #SUP  0.80  #QF  0.80
 10 LEU  QD2    17 ALA  HA      3.40 #SUP  0.99  #QF  0.99
 11 CYSS HN     18 LEU  QD1     4.57 #SUP  1.00
 11 CYSS HA     12 PRO  QG      4.18 #SUP  1.00
 11 CYSS HA     12 PRO  HD2     3.31 #SUP  1.00
 11 CYSS HA     12 PRO  HD3     3.32 #SUP  1.00
 11 CYSS HA     18 LEU  HG      4.56 #SUP  1.00
 11 CYSS HA     18 LEU  QD1     3.72 #SUP  1.00
 11 CYSS HA     18 LEU  QD2     3.59 #SUP  1.00
 11 CYSS HB3    12 PRO  HD2     4.76 #SUP  1.00
 11 CYSS HB3    12 PRO  HD3     4.90 #SUP  1.00
 11 CYSS HB2    15 HIS  HN      4.46 #SUP  1.00
 11 CYSS HB3    15 HIS  HA      4.24 #SUP  1.00
 11 CYSS HB2    16 GLU  HN      3.82 #SUP  1.00
 11 CYSS HB2    18 LEU  HG      4.70 #SUP  1.00
 11 CYSS HB3    18 LEU  HG      5.50 #SUP  1.00
 11 CYSS HB3    18 LEU  QD2     3.71 #SUP  1.00
 11 CYSS HB2    18 LEU  QD2     3.61 #SUP  1.00
 11 CYSS HB3    30 CYSS HB3     3.96 #SUP  1.00
 11 CYSS HB2    30 CYSS HB2     4.10 #SUP  1.00
 11 CYSS HB2    30 CYSS HB3     3.62 #SUP  1.00
 12 PRO  HA     15 HIS  HN      4.74 #SUP  1.00
 12 PRO  HA     15 HIS  HD2     4.80 #SUP  0.54  #QF  0.54
 12 PRO  HB3    13 GLN  HN      4.58 #SUP  1.00
 12 PRO  HD3    18 LEU  QD1     4.04 #SUP  1.00
 12 PRO  HD2    18 LEU  QD1     4.31 #SUP  1.00
 12 PRO  HD2    18 LEU  QD2     3.98 #SUP  0.99  #QF  0.99
 12 PRO  HD3    18 LEU  QD2     4.07 #SUP  0.98  #QF  0.98
 13 GLN  HN     13 GLN  HG3     4.80 #SUP  1.00
 13 GLN  HA     13 GLN  HG2     4.13 #SUP  1.00
 13 GLN  HA     13 GLN  HG3     4.13 #SUP  1.00
 14 HIST HB3    32 ILE  HB      4.51 #SUP  1.00
 14 HIST HB2    32 ILE  HB      4.51 #SUP  0.96  #QF  0.96
 14 HIST HE1    33 CYSS HN      4.97 #SUP  0.99  #QF  0.99
 14 HIST HE1    33 CYSS HA      3.48 #SUP  0.98  #QF  0.98
 14 HIST HE1    33 CYSS HB2     4.94 #SUP  0.99  #QF  0.99
 14 HIST HE1    33 CYSS HB3     4.94 #SUP  1.00
 15 HIS  HN     15 HIS  HA      2.88 #SUP  1.00
 15 HIS  HN     15 HIS  HD2     4.84 #SUP  0.98  #QF  0.98
 15 HIS  HA     15 HIS  HD2     4.80 #SUP  0.99  #QF  0.99
 15 HIS  HA     16 GLU  HA      4.87 #SUP  1.00
 16 GLU  HB2    30 CYSS HB2     4.33 #SUP  1.00
 16 GLU  HB3    30 CYSS HB2     4.33 #SUP  1.00
 16 GLU  HB2    30 CYSS HB3     4.81 #SUP  1.00
 16 GLU  HB3    30 CYSS HB3     4.81 #SUP  1.00
 16 GLU  HG2    32 ILE  QD1     4.42 #SUP  0.99  #QF  0.99
 16 GLU  HG3    32 ILE  QD1     4.42 #SUP  1.00
 18 LEU  HA     18 LEU  HG      3.85 #SUP  0.95  #QF  0.39
 17 ALA  QB     18 LEU  HN      3.42 #SUP  0.97  #QF  0.97
 18 LEU  HN     18 LEU  QD1     3.93 #SUP  1.00
 18 LEU  HA     18 LEU  QD1     4.19 #SUP  1.00
 18 LEU  HA     18 LEU  QD2     3.33 #SUP  1.00
 18 LEU  HA     19 SER  HA      4.82 #SUP  1.00
 18 LEU  HA     30 CYSS HA      3.84 #SUP  1.00
 18 LEU  HA     30 CYSS HB3     4.45 #SUP  1.00
 18 LEU  HA     30 CYSS HB2     4.87 #SUP  1.00
 18 LEU  HB2    18 LEU  QD1     3.50 #SUP  1.00
 18 LEU  HB3    18 LEU  QD1     3.50 #SUP  1.00
 18 LEU  HB2    18 LEU  QD2     3.56 #SUP  1.00
 18 LEU  HB3    18 LEU  QD2     3.56 #SUP  1.00
 18 LEU  HG     30 CYSS HB3     4.97 #SUP  1.00
 28 ALA  QB     47 LEU  QD1     3.01 #SUP  0.71  #QF  0.71
 18 LEU  QD2    29 VAL  HA      3.55 #SUP  0.78  #QF  0.78
 18 LEU  QD2    30 CYSS HA      4.48 #SUP  1.00
 18 LEU  QD2    30 CYSS HB3     3.91 #SUP  1.00
 18 LEU  QD2    30 CYSS HB2     4.54 #SUP  1.00
 20 LEU  HA     46 PRO  HA      3.63 #SUP  0.99  #QF  0.99
 19 SER  HA     20 LEU  HG      5.50 #SUP  1.00  #QF  0.35
 19 SER  HA     47 LEU  HB2     4.32 #SUP  0.95  #QF  0.87
 19 SER  HA     47 LEU  HB3     4.88 #SUP  0.85  #QF  0.85
 19 SER  HA     47 LEU  QD1     4.13 #SUP  0.79  #QF  0.79
 20 LEU  HA     20 LEU  HG      4.19 #SUP  1.00
 20 LEU  HA     20 LEU  QD2     3.24 #SUP  0.98  #QF  0.98
 20 LEU  HA     47 LEU  HA      5.22 #SUP  1.00
 20 LEU  HA     47 LEU  HG      4.59 #SUP  0.99  #QF  0.99
 20 LEU  HB2    20 LEU  QD1     3.49 #SUP  1.00
 20 LEU  HB3    20 LEU  QD1     3.61 #SUP  1.00
 20 LEU  HB2    20 LEU  QD2     3.52 #SUP  1.00  #QF  0.98
 20 LEU  HB2    44 VAL  QG1     3.72 #SUP  1.00  #QF  0.98
 20 LEU  HB3    20 LEU  QD2     3.44 #SUP  0.99  #QF  0.96
 20 LEU  HB3    44 VAL  QG1     3.56 #SUP  0.99  #QF  0.96
 20 LEU  HB2    29 VAL  QG2     3.38 #SUP  0.99  #QF  0.99
 20 LEU  HB3    29 VAL  QG2     3.82 #SUP  1.00
 20 LEU  HB2    30 CYSS HA      4.85 #SUP  0.95  #QF  0.95
 20 LEU  HG     30 CYSS HA      5.50 #SUP  1.00
 20 LEU  HG     46 PRO  HA      5.23 #SUP  1.00
 46 PRO  HA     47 LEU  HB2     5.50 #SUP  1.00
 20 LEU  QD1    30 CYSS HA      4.74 #SUP  0.97  #QF  0.97
 20 LEU  QD1    31 LEU  HA      3.39 #SUP  0.97  #QF  0.97
 20 LEU  QD1    34 ALA  QB      3.38 #SUP  0.99  #QF  0.99
 20 LEU  QD2    46 PRO  HA      3.18 #SUP  0.98  #QF  0.98
 20 LEU  QD2    46 PRO  HB2     4.24 #SUP  1.00
 20 LEU  QD2    46 PRO  HB3     3.11 #SUP  0.93  #QF  0.93
 21 PHE  HA     21 PHE  QD      4.11 #SUP  0.99  #QF  0.99
 21 PHE  HA     28 ALA  HA      3.51 #SUP  0.95  #QF  0.95
 21 PHE  HA     29 VAL  QG2     4.48 #SUP  0.99  #QF  0.99
 21 PHE  HB2    28 ALA  HA      4.84 #SUP  1.00
 21 PHE  HB3    28 ALA  HA      4.84 #SUP  1.00
 21 PHE  HB2    45 VAL  QG2     4.12 #SUP  0.99  #QF  0.99
 21 PHE  HB3    45 VAL  QG2     4.12 #SUP  0.99  #QF  0.99
 21 PHE  HB2    47 LEU  HG      4.59 #SUP  1.00
 21 PHE  HB3    47 LEU  HG      4.59 #SUP  1.00
 21 PHE  HB2    47 LEU  QD1     4.05 #SUP  1.00
 21 PHE  HB3    47 LEU  QD1     4.05 #SUP  1.00
 21 PHE  HB2    47 LEU  QD2     4.61 #SUP  1.00
 21 PHE  HB3    47 LEU  QD2     4.61 #SUP  0.99  #QF  0.99
 21 PHE  QD     21 PHE  HZ      3.94 #SUP  1.00
 21 PHE  HZ     26 GLN  HA      3.59 #SUP  0.98  #QF  0.98
 21 PHE  HZ     26 GLN  QG      4.30 #SUP  0.83  #QF  0.83
 21 PHE  HZ     26 GLN  HB3     4.93 #SUP  1.00
 21 PHE  HZ     26 GLN  HB2     4.93 #SUP  1.00
 21 PHE  QE     26 GLN  HA      4.32 #SUP  1.00
 21 PHE  QE     27 GLU  HA      4.52 #SUP  0.97  #QF  0.97
 21 PHE  QD     26 GLN  HA      4.85 #SUP  0.93  #QF  0.93
 21 PHE  QD     27 GLU  HA      4.79 #SUP  0.98  #QF  0.98
 21 PHE  QD     28 ALA  HA      3.78 #SUP  1.00
 22 CYSS HA     29 VAL  QG2     4.78 #SUP  1.00
 22 CYSS HA     44 VAL  HA      3.79 #SUP  0.93  #QF  0.93
 22 CYSS HA     44 VAL  QG1     4.05 #SUP  0.95  #QF  0.95
 22 CYSS HA     44 VAL  QG2     3.70 #SUP  0.97  #QF  0.97
 22 CYSS HB3    25 ASP  HB2     4.53 #SUP  1.00
 22 CYSS HB3    25 ASP  HB3     4.53 #SUP  1.00
 22 CYSS HB2    27 GLU  HN      4.97 #SUP  1.00
 22 CYSS HB2    29 VAL  QG1     3.92 #SUP  0.99  #QF  0.99
 22 CYSS HB3    29 VAL  QG1     4.11 #SUP  0.99  #QF  0.97
 21 PHE  HZ     23 TYR  HA      4.70 #SUP  0.99  #QF  0.73
 23 TYR  HA     23 TYR  QD      3.50 #SUP  0.98  #QF  0.95
 23 TYR  HA     26 GLN  HA      4.42 #SUP  0.97  #QF  0.97
 23 TYR  HA     26 GLN  HE22    3.90 #SUP  0.99  #QF  0.99
 23 TYR  HB2    43 THR  HB      4.01 #SUP  1.00
 23 TYR  HB3    43 THR  HB      4.01 #SUP  0.99  #QF  0.99
 23 TYR  HB2    43 THR  QG2     4.25 #SUP  1.00
 23 TYR  HB3    43 THR  QG2     4.25 #SUP  1.00
 23 TYR  QD     45 VAL  QG1     4.52 #SUP  0.90  #QF  0.71
 23 TYR  QD     45 VAL  QG2     5.09 #SUP  0.90  #QF  0.71
 24 GLU  HA     24 GLU  HG2     3.68 #SUP  1.00
 24 GLU  HA     24 GLU  HG3     3.68 #SUP  1.00
 25 ASP  HB2    27 GLU  HG2     4.99 #SUP  1.00
 25 ASP  HB3    27 GLU  HG2     4.99 #SUP  1.00
 25 ASP  HB2    27 GLU  HG3     4.99 #SUP  1.00
 25 ASP  HB3    27 GLU  HG3     4.99 #SUP  1.00
 25 ASP  HB2    39 HIST HE1     4.48 #SUP  0.99  #QF  0.99
 25 ASP  HB3    39 HIST HE1     4.48 #SUP  0.95  #QF  0.95
 26 GLN  HA     26 GLN  QG      3.70 #SUP  1.00
 27 GLU  HG3    28 ALA  HN      4.86 #SUP  1.00
 28 ALA  HA     47 LEU  QD1     4.49 #SUP  1.00
 29 VAL  HA     29 VAL  QG1     3.60 #SUP  0.99  #QF  0.99
 29 VAL  HA     33 CYSS HB2     4.83 #SUP  1.00
 29 VAL  HA     33 CYSS HB3     4.83 #SUP  1.00
 29 VAL  HB     33 CYSS HA      5.01 #SUP  1.00
 29 VAL  HB     33 CYSS HB2     3.58 #SUP  1.00
 29 VAL  HB     33 CYSS HB3     3.58 #SUP  1.00
 29 VAL  QG1    33 CYSS HB2     4.42 #SUP  1.00
 29 VAL  QG1    33 CYSS HB3     4.42 #SUP  1.00
 29 VAL  QG1    39 HIST HE1     4.19 #SUP  0.83  #QF  0.83
 29 VAL  QG2    33 CYSS HB2     4.44 #SUP  1.00
 22 CYSS HB3    29 VAL  QG2     4.74 #SUP  1.00  #QF  0.49
 29 VAL  QG2    33 CYSS HB3     4.44 #SUP  1.00
 29 VAL  QG2    44 VAL  QG1     3.38 #SUP  1.00
 29 VAL  QG2    44 VAL  QG2     4.08 #SUP  1.00
 30 CYSS HA     32 ILE  HN      5.20 #SUP  0.98  #QF  0.97
 30 CYSS HA     33 CYSS HN      5.50 #SUP  0.98  #QF  0.97
 31 LEU  HN     31 LEU  HG      4.92 #SUP  1.00
 31 LEU  HA     31 LEU  HG      3.90 #SUP  1.00
 31 LEU  HA     31 LEU  QD2     4.09 #SUP  1.00
 31 LEU  HA     34 ALA  QB      3.63 #SUP  0.98  #QF  0.98
 31 LEU  HB2    31 LEU  QD1     3.83 #SUP  1.00
 31 LEU  HB3    31 LEU  QD1     3.83 #SUP  1.00
 31 LEU  HB2    31 LEU  QD2     3.78 #SUP  1.00
 31 LEU  HG     32 ILE  QD1     4.52 #SUP  0.94  #QF  0.94
 31 LEU  QD1    32 ILE  HN      4.46 #SUP  1.00
 32 ILE  HN     32 ILE  QD1     4.53 #SUP  1.00
 32 ILE  HA     32 ILE  QG2     3.57 #SUP  1.00
 32 ILE  HA     32 ILE  HG12    4.08 #SUP  1.00
 32 ILE  HA     32 ILE  HG13    4.08 #SUP  1.00
 32 ILE  HA     32 ILE  QD1     4.00 #SUP  1.00
 32 ILE  HA     35 ILE  QG1     3.42 #SUP  0.89  #QF  0.89
 32 ILE  HA     35 ILE  QD1     4.10 #SUP  0.98  #QF  0.98
 32 ILE  HB     32 ILE  QD1     4.11 #SUP  1.00
 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     3.42 #SUP  1.00
 33 CYSS HA     36 SER  HB2     4.43 #SUP  0.99  #QF  0.99
 33 CYSS HA     36 SER  HB3     4.43 #SUP  0.97  #QF  0.97
 34 ALA  HA     39 HIST HB2     3.78 #SUP  0.95  #QF  0.95
 34 ALA  HA     39 HIST HB3     4.22 #SUP  1.00
 34 ALA  HA     44 VAL  QG2     4.26 #SUP  1.00
 35 ILE  HN     35 ILE  QD1     4.76 #SUP  1.00
 35 ILE  HA     35 ILE  QG2     3.48 #SUP  0.99  #QF  0.99
 34 ALA  QB     35 ILE  HA      4.85 #SUP  1.00  #QF  0.87
 35 ILE  HA     40 ARG  HD2     5.10 #SUP  0.79  #QF  0.79
 35 ILE  HA     40 ARG  HD3     5.10 #SUP  0.72  #QF  0.72
 35 ILE  HB     35 ILE  QD1     3.56 #SUP  0.99  #QF  0.99
 35 ILE  QG2    35 ILE  QG1     3.26 #SUP  0.98  #QF  0.44
 37 HIS  HA     40 ARG  HN      4.93 #SUP  0.87  #QF  0.87
 37 HIS  HA     40 ARG  HB2     4.23 #SUP  0.97  #QF  0.97
 37 HIS  HA     40 ARG  HB3     4.23 #SUP  0.95  #QF  0.95
 38 THR  HA     38 THR  QG2     3.54 #SUP  0.98  #QF  0.98
 38 THR  HB     39 HIST HA      4.60 #SUP  0.95  #QF  0.95
 39 HIST HA     42 HIST HB2     4.70 #SUP  1.00
 39 HIST HA     42 HIST HE1     4.88 #SUP  0.45  #QF  0.45
 39 HIST HB2    42 HIST HB2     4.98 #SUP  1.00
 39 HIST HB3    42 HIST HB3     4.82 #SUP  0.90  #QF  0.90
 39 HIST HB3    42 HIST HB2     4.38 #SUP  1.00
 39 HIST HB3    44 VAL  QG2     4.02 #SUP  0.99  #QF  0.99
 39 HIST HB2    44 VAL  QG2     4.63 #SUP  1.00
 40 ARG  HN     40 ARG  HG3     4.75 #SUP  1.00
 40 ARG  HA     40 ARG  HD2     4.60 #SUP  1.00
 40 ARG  HA     40 ARG  HD3     4.60 #SUP  1.00
 40 ARG  HA     41 ALA  HA      4.79 #SUP  0.96  #QF  0.96
 41 ALA  HN     41 ALA  QB      3.96 #SUP  0.99  #QF  0.99
 42 HIST HA     43 THR  HA      4.44 #SUP  0.99  #QF  0.99
 42 HIST HB3    44 VAL  QG2     4.47 #SUP  0.99  #QF  0.99
 42 HIST HB2    44 VAL  QG2     4.21 #SUP  0.99  #QF  0.99
 43 THR  HA     43 THR  QG2     3.42 #SUP  0.99  #QF  0.99
 44 VAL  HN     44 VAL  QG1     4.02 #SUP  1.00
 44 VAL  HA     44 VAL  QG1     3.70 #SUP  1.00
 44 VAL  HA     44 VAL  QG2     3.69 #SUP  1.00
 44 VAL  HA     45 VAL  QG1     4.34 #SUP  0.89  #QF  0.71
 44 VAL  HA     45 VAL  QG2     4.72 #SUP  0.89  #QF  0.71
 44 VAL  QG2    45 VAL  HN      4.94 #SUP  1.00
 45 VAL  HN     45 VAL  QG1     4.38 #SUP  1.00
 45 VAL  HA     45 VAL  QG1     3.46 #SUP  0.98  #QF  0.98
 45 VAL  HA     45 VAL  QG2     4.16 #SUP  1.00
 45 VAL  HA     46 PRO  HG2     4.65 #SUP  1.00
 45 VAL  HA     46 PRO  HG3     4.61 #SUP  1.00
 45 VAL  HA     46 PRO  HD2     3.13 #SUP  1.00
 45 VAL  HA     46 PRO  HD3     2.88 #SUP  0.98  #QF  0.98
 45 VAL  HB     46 PRO  HG2     4.20 #SUP  1.00
 45 VAL  HB     46 PRO  HG3     4.96 #SUP  1.00
 45 VAL  HB     46 PRO  HD2     2.99 #SUP  1.00
 45 VAL  HB     46 PRO  HD3     3.74 #SUP  1.00
 45 VAL  QG1    46 PRO  HD2     3.70 #SUP  1.00  #QF  0.99
 45 VAL  QG2    46 PRO  HD2     4.12 #SUP  1.00  #QF  0.99
 45 VAL  QG1    46 PRO  HD3     4.20 #SUP  1.00
 45 VAL  QG2    46 PRO  HD3     4.77 #SUP  1.00
 20 LEU  QD2    46 PRO  HD2     4.76 #SUP  1.00
 46 PRO  HA     47 LEU  HG      4.77 #SUP  0.97  #QF  0.97
 47 LEU  HN     47 LEU  HB3     3.80 #SUP  1.00
 47 LEU  HA     47 LEU  HG      4.05 #SUP  1.00
 47 LEU  HA     47 LEU  QD1     4.00 #SUP  1.00
 47 LEU  HA     47 LEU  QD2     3.94 #SUP  0.99  #QF  0.99
 47 LEU  HB2    47 LEU  QD1     3.38 #SUP  0.98  #QF  0.98
 47 LEU  HB3    47 LEU  QD1     3.62 #SUP  1.00  #QF  0.99
 47 LEU  HB2    47 LEU  QD2     3.48 #SUP  0.99  #QF  0.99
 31 LEU  HB3    31 LEU  QD2     3.78 #SUP  1.00  #QF  0.52
 47 LEU  HB3    47 LEU  QD2     3.67 #SUP  1.00  #QF  0.89
 49 GLY  HA1    50 PRO  QD      3.25 #SUP  0.98  #QF  0.98
 49 GLY  HA2    50 PRO  QD      3.25 #SUP  0.99  #QF  0.99
 31 LEU  HA     35 ILE  QD1     5.50 #SUP  0.36  #QF  0.36
 35 ILE  HA     35 ILE  QD1     4.65 #SUP  0.99  #QF  0.99
 21 PHE  QD     47 LEU  QD1     3.82 #SUP  0.93  #QF  0.93
 21 PHE  QD     45 VAL  QG1     3.91 #SUP  0.28  #QF  0.28
 21 PHE  QD     28 ALA  QB      3.89 #SUP  0.87  #QF  0.87
 21 PHE  QD     23 TYR  HA      4.07 #SUP  0.77  #QF  0.77
 21 PHE  QE     26 GLN  QG      5.50 #SUP  0.87  #QF  0.44
 21 PHE  QE     23 TYR  HA      3.82 #SUP  0.76  #QF  0.76
 38 THR  HB     39 HIST HD2     4.25 #SUP  0.73  #QF  0.73
 33 CYSS HA     39 HIST HD2     4.49 #SUP  0.82  #QF  0.82
 26 GLN  HN     26 GLN  QG      4.44 #SUP  0.98  #QF  0.98
 34 ALA  HA     44 VAL  QG1     4.53 #SUP  0.76  #QF  0.76
 29 VAL  QG2    34 ALA  HA      4.42 #SUP  0.83  #QF  0.83
 21 PHE  QD     47 LEU  QD2     4.25 #SUP  0.89  #QF  0.89
 31 LEU  HN     31 LEU  QD1     4.41 #SUP  0.97  #QF  0.97
 20 LEU  QD2    46 PRO  HD3     4.07 #SUP  0.89  #QF  0.89
 38 THR  QG2    39 HIST HE1     5.00 #SUP  0.94  #QF  0.94
 38 THR  QG2    39 HIST HD2     4.70 #SUP  0.87  #QF  0.87
 22 CYSS HB2    44 VAL  QG2     3.98 #SUP  0.92  #QF  0.92
 22 CYSS HB3    44 VAL  QG2     4.88 #SUP  0.99  #QF  0.99
 34 ALA  QB     44 VAL  QG2     3.90 #SUP  0.91  #QF  0.91
 39 HIST HA     44 VAL  QG2     5.06 #SUP  0.98  #QF  0.84
 43 THR  HA     44 VAL  QG2     5.28 #SUP  0.98  #QF  0.84
 22 CYSS HB2    29 VAL  QG2     4.20 #SUP  0.96  #QF  0.96
 28 ALA  HA     29 VAL  QG2     4.51 #SUP  0.98  #QF  0.98
 29 VAL  QG2    34 ALA  QB      4.03 #SUP  0.74  #QF  0.74
 34 ALA  QB     35 ILE  QG2     3.89 #SUP  0.92  #QF  0.46
 41 ALA  QB     42 HIST HD2     4.44 #SUP  0.50  #QF  0.50
 21 PHE  QE     47 LEU  QD1     5.04 #SUP  0.91  #QF  0.91
 21 PHE  QE     45 VAL  QG1     4.84 #SUP  0.49  #QF  0.49
 21 PHE  QE     28 ALA  QB      4.61 #SUP  0.88  #QF  0.88
 30 CYSS HB2    32 ILE  HN      4.79 #SUP  0.96  #QF  0.94
  9 SER  HA     18 LEU  QD1     4.41 #SUP  0.87  #QF  0.87
 10 LEU  QD2    15 HIS  HA      4.39 #SUP  0.99  #QF  0.99
 31 LEU  HA     31 LEU  QD1     4.03 #SUP  0.99  #QF  0.99
 23 TYR  QE     45 VAL  QG2     4.35 #SUP  0.27  #QF  0.27
  8 GLU  HN      8 GLU  QB      3.33 
  8 GLU  QB      9 SER  HN      4.42 
  9 SER  HN      9 SER  QB      3.61 
  9 SER  QB     10 LEU  HN      3.76 
  9 SER  QB     18 LEU  QB      4.18 
 10 LEU  HN     10 LEU  QB      3.19 
 10 LEU  QB     10 LEU  QD1     3.10 
 10 LEU  QB     10 LEU  QD2     3.24 
 10 LEU  QB     11 CYSS HN      3.49 
 10 LEU  QB     15 HIS  HA      3.30 
 10 LEU  QD1    15 HIS  QB      3.91 
 11 CYSS HB2    14 HIST QB      4.40 
 11 CYSS HB3    14 HIST QB      3.88 
 13 GLN  HN     13 GLN  QG      4.13 
 13 GLN  QG     14 HIST HN      4.78 
 14 HIST HN     14 HIST QB      3.29 
 14 HIST QB     15 HIS  HN      4.43 
 14 HIST QB     16 GLU  HN      3.50 
 14 HIST QB     16 GLU  QG      4.44 
 14 HIST QB     32 ILE  HB      3.94 
 14 HIST QB     32 ILE  QD1     4.27 
 16 GLU  HN     16 GLU  QB      3.46 
 16 GLU  HN     16 GLU  QG      3.83 
 16 GLU  HA     16 GLU  QG      3.63 
 16 GLU  QB     17 ALA  HN      3.13 
 16 GLU  QB     30 CYSS HB2     3.78 
 16 GLU  QB     30 CYSS HB3     4.11 
 16 GLU  QB     31 LEU  HN      4.37 
 16 GLU  QB     32 ILE  QD1     4.86 
 16 GLU  QG     32 ILE  QG1     3.96 
 16 GLU  QG     32 ILE  QD1     3.76 
 18 LEU  HN     18 LEU  QB      3.08 
 18 LEU  QB     18 LEU  QD1     3.03 
 18 LEU  QB     19 SER  HN      4.05 
 19 SER  QB     20 LEU  HG      4.22 
 19 SER  QB     20 LEU  QD2     5.02 
 19 SER  QB     47 LEU  HB2     5.34 
 21 PHE  HN     21 PHE  QB      3.31 
 21 PHE  QB     22 CYSS HN      4.14 
 21 PHE  QB     45 VAL  HN      4.30 
 21 PHE  QB     45 VAL  QG2     3.47 
 21 PHE  QB     47 LEU  HA      5.05 
 21 PHE  QB     47 LEU  HG      3.97 
 21 PHE  QB     47 LEU  QD1     3.52 
 21 PHE  QB     47 LEU  QD2     3.85 
 21 PHE  QE     26 GLN  QB      5.34 
 21 PHE  HZ     26 GLN  QB      4.24 
 22 CYSS HA     23 TYR  QB      4.56 
 22 CYSS HB2    25 ASP  QB      4.10 
 22 CYSS HB3    25 ASP  QB      3.72 
 23 TYR  HN     23 TYR  QB      3.05 
 23 TYR  QB     43 THR  HN      4.79 
 23 TYR  QB     43 THR  HB      3.52 
 23 TYR  QB     45 VAL  QG1     5.34 
 23 TYR  QB     45 VAL  QG2     5.34 
 24 GLU  HN     24 GLU  QB      3.31 
 24 GLU  HN     24 GLU  QG      4.18 
 24 GLU  HA     24 GLU  QG      2.94 
 24 GLU  QB     25 ASP  HN      3.53 
 24 GLU  QB     25 ASP  HA      4.95 
 24 GLU  QG     25 ASP  HN      4.59 
 25 ASP  HN     25 ASP  QB      3.12 
 25 ASP  QB     26 GLN  HN      3.93 
 25 ASP  QB     27 GLU  HN      4.19 
 25 ASP  QB     27 GLU  QB      4.13 
 25 ASP  QB     27 GLU  QG      3.69 
 26 GLN  HA     26 GLN  QE2     4.19 
 26 GLN  QB     26 GLN  QE2     4.32 
 27 GLU  HN     27 GLU  QB      3.69 
 27 GLU  HN     27 GLU  QG      4.06 
 27 GLU  QB     28 ALA  HN      3.39 
 27 GLU  QG     28 ALA  HN      4.17 
 29 VAL  HA     33 CYSS QB      4.19 
 29 VAL  QG1    33 CYSS QB      3.83 
 29 VAL  QG2    33 CYSS QB      3.80 
 30 CYSS HN     33 CYSS QB      3.05 
 30 CYSS HA     31 LEU  QB      5.34 
 31 LEU  HN     31 LEU  QB      3.11 
 31 LEU  QB     31 LEU  QD1     3.18 
 31 LEU  QB     31 LEU  QD2     3.17 
 31 LEU  QB     32 ILE  HN      4.00 
 32 ILE  HN     32 ILE  QG1     3.35 
 32 ILE  HA     32 ILE  QG1     3.55 
 32 ILE  QG1    33 CYSS HN      4.33 
 33 CYSS HN     33 CYSS QB      3.21 
 33 CYSS HA     36 SER  QB      3.74 
 33 CYSS QB     34 ALA  HN      3.76 
 33 CYSS QB     39 HIST HD2     3.80 
 35 ILE  HA     40 ARG  QD      4.38 
 36 SER  HN     36 SER  QB      3.06 
 39 HIST HN     40 ARG  QB      4.55 
 40 ARG  HN     40 ARG  QG      4.10 
 40 ARG  HA     40 ARG  QG      3.74 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -13.445 -21.896  -0.302
    2    HA2  GLY   1           1HA      GLY   1 -11.355 -22.949  -0.866
    3    HA3  GLY   1           2HA      GLY   1 -11.539 -21.588  -1.963
    4    H    SER   2           H        SER   2  -9.091 -22.099  -1.886
    5    HA   SER   2           HA       SER   2  -7.449 -21.521   0.240
    6    HB2  SER   2           1HB      SER   2  -7.153 -21.322  -2.717
    7    HB3  SER   2           2HB      SER   2  -5.922 -20.542  -1.723
    8    HG   SER   2           HG       SER   2  -5.532 -22.803  -2.292
    9    H    SER   3           H        SER   3  -8.522 -19.203  -2.249
   10    HA   SER   3           HA       SER   3  -7.716 -17.003  -0.493
   11    HB2  SER   3           1HB      SER   3  -6.934 -16.945  -2.834
   12    HB3  SER   3           2HB      SER   3  -8.608 -16.945  -3.387
   13    HG   SER   3           HG       SER   3  -8.834 -14.965  -2.121
   14    H    GLY   4           H        GLY   4  -9.159 -15.169  -0.203
   15    HA2  GLY   4           1HA      GLY   4 -11.956 -16.069   0.006
   16    HA3  GLY   4           2HA      GLY   4 -11.214 -14.822   0.998
   17    H    SER   5           H        SER   5 -10.389 -12.886  -0.314
   18    HA   SER   5           HA       SER   5 -12.390 -12.233  -2.378
   19    HB2  SER   5           1HB      SER   5 -11.175 -10.428  -0.273
   20    HB3  SER   5           2HB      SER   5 -12.203  -9.868  -1.592
   21    HG   SER   5           HG       SER   5 -12.862 -11.367   0.675
   22    H    SER   6           H        SER   6 -11.034 -12.827  -4.085
   23    HA   SER   6           HA       SER   6  -8.391 -11.733  -4.341
   24    HB2  SER   6           1HB      SER   6 -10.170 -13.405  -6.089
   25    HB3  SER   6           2HB      SER   6  -8.713 -12.671  -6.758
   26    HG   SER   6           HG       SER   6  -7.580 -13.710  -4.975
   27    H    GLY   7           H        GLY   7  -8.841  -9.473  -4.152
   28    HA2  GLY   7           1HA      GLY   7 -10.009  -8.320  -6.611
   29    HA3  GLY   7           2HA      GLY   7 -10.183  -7.576  -5.028
   30    H    GLU   8           H        GLU   8  -7.928  -7.242  -3.920
   31    HA   GLU   8           HA       GLU   8  -5.851  -6.502  -5.814
   32    HB2  GLU   8           1HB      GLU   8  -5.724  -4.193  -5.091
   33    HB3  GLU   8           2HB      GLU   8  -7.333  -4.525  -5.718
   34    HG2  GLU   8           1HG      GLU   8  -6.695  -4.614  -2.787
   35    HG3  GLU   8           2HG      GLU   8  -7.192  -3.137  -3.611
   36    H    SER   9           H        SER   9  -3.815  -6.091  -4.830
   37    HA   SER   9           HA       SER   9  -3.464  -7.541  -2.356
   38    HB2  SER   9           1HB      SER   9  -1.563  -6.308  -4.345
   39    HB3  SER   9           2HB      SER   9  -0.998  -6.965  -2.809
   40    HG   SER   9           HG       SER   9  -2.430  -8.862  -3.659
   41    H    LEU  10           H        LEU  10  -1.477  -6.424  -1.012
   42    HA   LEU  10           HA       LEU  10  -2.045  -3.610  -0.538
   43    HB2  LEU  10           1HB      LEU  10  -2.350  -5.707   1.606
   44    HB3  LEU  10           2HB      LEU  10  -2.397  -3.964   1.867
   45    HG   LEU  10           HG       LEU  10  -4.377  -5.432   0.135
   46   HD11  LEU  10          1HD1      LEU  10  -4.182  -5.247   3.039
   47   HD12  LEU  10          2HD1      LEU  10  -5.171  -6.303   2.031
   48   HD13  LEU  10          3HD1      LEU  10  -5.719  -4.666   2.396
   49   HD21  LEU  10          1HD2      LEU  10  -4.691  -3.282  -0.482
   50   HD22  LEU  10          2HD2      LEU  10  -3.952  -2.637   0.984
   51   HD23  LEU  10          3HD2      LEU  10  -5.617  -3.220   1.018
   52    H    CYS  11           H        CYS  11  -0.214  -2.552  -0.155
   53    HA   CYS  11           HA       CYS  11   2.299  -3.546  -0.297
   54    HB2  CYS  11           1HB      CYS  11   1.415  -1.084  -0.042
   55    HB3  CYS  11           2HB      CYS  11   1.811  -1.328   1.656
   56    HA   PRO  12           HA       PRO  12   2.906  -6.009   3.322
   57    HB2  PRO  12           1HB      PRO  12   5.603  -6.259   3.134
   58    HB3  PRO  12           2HB      PRO  12   4.482  -7.139   2.089
   59    HG2  PRO  12           1HG      PRO  12   6.028  -4.638   1.528
   60    HG3  PRO  12           2HG      PRO  12   5.760  -6.045   0.483
   61    HD2  PRO  12           1HD      PRO  12   4.351  -3.747   0.223
   62    HD3  PRO  12           2HD      PRO  12   3.655  -5.340  -0.137
   63    H    GLN  13           H        GLN  13   3.821  -2.813   2.947
   64    HA   GLN  13           HA       GLN  13   4.747  -2.683   5.739
   65    HB2  GLN  13           1HB      GLN  13   6.657  -2.223   4.359
   66    HB3  GLN  13           2HB      GLN  13   5.735  -1.101   3.366
   67    HG2  GLN  13           1HG      GLN  13   6.888   0.358   4.680
   68    HG3  GLN  13           2HG      GLN  13   5.419   0.165   5.635
   69   HE21  GLN  13          1HE2      GLN  13   6.322   0.609   7.594
   70   HE22  GLN  13          2HE2      GLN  13   7.487  -0.410   8.362
   71    H    HIS  14           H        HIS  14   3.011  -1.113   3.111
   72    HA   HIS  14           HA       HIS  14   1.892   0.837   4.991
   73    HB2  HIS  14           1HB      HIS  14   1.722   0.706   1.973
   74    HB3  HIS  14           2HB      HIS  14   1.037   1.983   2.974
   75    HD2  HIS  14           2HD      HIS  14   3.022   3.623   4.279
   76    HE1  HIS  14           1HE      HIS  14   6.100   2.471   1.595
   77    HE2  HIS  14           2HE      HIS  14   5.433   4.048   3.443
   78    H    HIS  15           H        HIS  15   1.119  -2.034   3.279
   79    HA   HIS  15           HA       HIS  15  -0.775  -3.281   3.077
   80    HB2  HIS  15           1HB      HIS  15  -1.077  -1.873   5.680
   81    HB3  HIS  15           2HB      HIS  15  -2.496  -2.696   5.038
   82    HD1  HIS  15           1HD      HIS  15  -0.827  -3.545   7.617
   83    HD2  HIS  15           2HD      HIS  15  -0.614  -5.286   3.851
   84    HE1  HIS  15           1HE      HIS  15   0.036  -5.875   8.002
   85    H    GLU  16           H        GLU  16  -0.698  -0.983   1.479
   86    HA   GLU  16           HA       GLU  16  -3.520  -0.136   1.468
   87    HB2  GLU  16           1HB      GLU  16  -1.032   1.280   0.525
   88    HB3  GLU  16           2HB      GLU  16  -2.645   1.792   0.049
   89    HG2  GLU  16           1HG      GLU  16  -1.964   1.470   2.938
   90    HG3  GLU  16           2HG      GLU  16  -1.483   2.923   2.062
   91    H    ALA  17           H        ALA  17  -4.663  -0.159  -0.467
   92    HA   ALA  17           HA       ALA  17  -4.386  -2.249  -2.181
   93    HB1  ALA  17           1HB      ALA  17  -5.580   0.464  -2.699
   94    HB2  ALA  17           2HB      ALA  17  -5.726  -0.886  -3.825
   95    HB3  ALA  17           3HB      ALA  17  -6.406  -1.013  -2.203
   96    H    LEU  18           H        LEU  18  -2.697  -2.831  -3.373
   97    HA   LEU  18           HA       LEU  18  -0.803  -0.916  -4.379
   98    HB2  LEU  18           1HB      LEU  18  -1.005  -3.871  -4.937
   99    HB3  LEU  18           2HB      LEU  18   0.388  -2.837  -5.249
  100    HG   LEU  18           HG       LEU  18  -0.703  -3.459  -2.506
  101   HD11  LEU  18          1HD1      LEU  18   0.212  -5.451  -3.638
  102   HD12  LEU  18          2HD1      LEU  18   1.174  -4.952  -2.248
  103   HD13  LEU  18          3HD1      LEU  18   1.730  -4.588  -3.881
  104   HD21  LEU  18          1HD2      LEU  18   2.025  -2.635  -2.570
  105   HD22  LEU  18          2HD2      LEU  18   0.653  -1.867  -1.769
  106   HD23  LEU  18          3HD2      LEU  18   1.049  -1.448  -3.437
  107    H    SER  19           H        SER  19  -1.285   0.283  -6.096
  108    HA   SER  19           HA       SER  19  -2.565  -1.036  -8.399
  109    HB2  SER  19           1HB      SER  19  -4.203   0.457  -7.509
  110    HB3  SER  19           2HB      SER  19  -3.016   1.746  -7.310
  111    HG   SER  19           HG       SER  19  -4.560   1.567  -9.292
  112    H    LEU  20           H        LEU  20   0.008   0.878  -7.200
  113    HA   LEU  20           HA       LEU  20   0.869   1.640  -9.894
  114    HB2  LEU  20           1HB      LEU  20   1.780   2.465  -7.150
  115    HB3  LEU  20           2HB      LEU  20   2.650   2.906  -8.617
  116    HG   LEU  20           HG       LEU  20  -0.235   3.634  -8.178
  117   HD11  LEU  20          1HD1      LEU  20   1.830   4.531  -6.588
  118   HD12  LEU  20          2HD1      LEU  20   0.286   5.342  -6.848
  119   HD13  LEU  20          3HD1      LEU  20   1.687   5.782  -7.823
  120   HD21  LEU  20          1HD2      LEU  20   0.157   4.004 -10.394
  121   HD22  LEU  20          2HD2      LEU  20   1.884   4.273 -10.160
  122   HD23  LEU  20          3HD2      LEU  20   0.729   5.539  -9.741
  123    H    PHE  21           H        PHE  21   3.315   1.494 -10.236
  124    HA   PHE  21           HA       PHE  21   4.640  -0.703  -8.914
  125    HB2  PHE  21           1HB      PHE  21   3.390  -2.026 -10.451
  126    HB3  PHE  21           2HB      PHE  21   3.714  -0.915 -11.777
  127    HD1  PHE  21           2HD      PHE  21   5.985  -0.804 -12.763
  128    HD2  PHE  21           1HD      PHE  21   4.907  -3.748  -9.883
  129    HE1  PHE  21           2HE      PHE  21   7.938  -2.151 -13.414
  130    HE2  PHE  21           1HE      PHE  21   6.859  -5.099 -10.529
  131    HZ   PHE  21           HZ       PHE  21   8.377  -4.302 -12.298
  132    H    CYS  22           H        CYS  22   6.709  -0.175  -8.735
  133    HA   CYS  22           HA       CYS  22   7.799   2.073 -10.111
  134    HB2  CYS  22           1HB      CYS  22   8.380   1.285  -7.756
  135    HB3  CYS  22           2HB      CYS  22   9.362   0.040  -8.522
  136    H    TYR  23           H        TYR  23   9.488   2.138 -11.610
  137    HA   TYR  23           HA       TYR  23   9.583  -0.167 -13.377
  138    HB2  TYR  23           1HB      TYR  23   9.313   2.336 -14.061
  139    HB3  TYR  23           2HB      TYR  23  11.061   2.398 -13.871
  140    HD1  TYR  23           1HD      TYR  23   8.311   0.809 -15.759
  141    HD2  TYR  23           2HD      TYR  23  12.508   1.454 -15.504
  142    HE1  TYR  23           1HE      TYR  23   8.581  -0.096 -18.030
  143    HE2  TYR  23           2HE      TYR  23  12.791   0.551 -17.775
  144    HH   TYR  23           HH       TYR  23  10.217  -1.033 -19.456
  145    H    GLU  24           H        GLU  24  12.016   2.044 -11.983
  146    HA   GLU  24           HA       GLU  24  14.286   0.623 -12.599
  147    HB2  GLU  24           1HB      GLU  24  13.960   2.913 -11.380
  148    HB3  GLU  24           2HB      GLU  24  14.051   1.942  -9.918
  149    HG2  GLU  24           1HG      GLU  24  16.235   2.552 -10.164
  150    HG3  GLU  24           2HG      GLU  24  16.226   1.012 -11.022
  151    H    ASP  25           H        ASP  25  12.699   0.503  -9.405
  152    HA   ASP  25           HA       ASP  25  14.114  -1.707  -8.452
  153    HB2  ASP  25           1HB      ASP  25  11.304  -0.874  -7.698
  154    HB3  ASP  25           2HB      ASP  25  12.387  -1.879  -6.739
  155    H    GLN  26           H        GLN  26  11.394  -1.506 -10.590
  156    HA   GLN  26           HA       GLN  26  10.264  -3.071 -11.793
  157    HB2  GLN  26           1HB      GLN  26  12.731  -3.883 -12.027
  158    HB3  GLN  26           2HB      GLN  26  12.229  -5.168 -10.937
  159    HG2  GLN  26           1HG      GLN  26  11.820  -6.191 -12.913
  160    HG3  GLN  26           2HG      GLN  26  10.263  -5.395 -12.687
  161   HE21  GLN  26          1HE2      GLN  26  10.068  -3.220 -13.687
  162   HE22  GLN  26          2HE2      GLN  26  10.808  -2.977 -15.229
  163    H    GLU  27           H        GLU  27   9.340  -2.583  -9.239
  164    HA   GLU  27           HA       GLU  27   8.109  -5.161  -8.614
  165    HB2  GLU  27           1HB      GLU  27   9.441  -3.365  -6.582
  166    HB3  GLU  27           2HB      GLU  27   8.355  -4.683  -6.166
  167    HG2  GLU  27           1HG      GLU  27  10.939  -4.986  -7.678
  168    HG3  GLU  27           2HG      GLU  27  10.728  -5.286  -5.954
  169    H    ALA  28           H        ALA  28   6.285  -4.797  -6.947
  170    HA   ALA  28           HA       ALA  28   4.639  -2.640  -7.978
  171    HB1  ALA  28           1HB      ALA  28   3.347  -4.158  -5.918
  172    HB2  ALA  28           2HB      ALA  28   2.971  -4.064  -7.639
  173    HB3  ALA  28           3HB      ALA  28   4.144  -5.245  -7.056
  174    H    VAL  29           H        VAL  29   3.675  -1.029  -6.734
  175    HA   VAL  29           HA       VAL  29   4.595  -0.736  -3.965
  176    HB   VAL  29           HB       VAL  29   5.113   1.632  -4.308
  177   HG11  VAL  29          1HG1      VAL  29   7.202   0.938  -4.585
  178   HG12  VAL  29          2HG1      VAL  29   6.621  -0.580  -5.273
  179   HG13  VAL  29          3HG1      VAL  29   6.926   0.805  -6.321
  180   HG21  VAL  29          1HG2      VAL  29   4.051   2.558  -6.065
  181   HG22  VAL  29          2HG2      VAL  29   5.490   2.060  -6.955
  182   HG23  VAL  29          3HG2      VAL  29   4.042   1.054  -6.986
  183    H    CYS  30           H        CYS  30   3.500   1.463  -3.119
  184    HA   CYS  30           HA       CYS  30   0.668   1.363  -3.928
  185    HB2  CYS  30           1HB      CYS  30  -0.020   1.555  -1.649
  186    HB3  CYS  30           2HB      CYS  30   1.163   0.253  -1.717
  187    H    LEU  31           H        LEU  31  -0.500   3.364  -2.842
  188    HA   LEU  31           HA       LEU  31   0.298   5.643  -4.167
  189    HB2  LEU  31           1HB      LEU  31  -1.118   5.947  -1.568
  190    HB3  LEU  31           2HB      LEU  31  -1.424   6.734  -3.115
  191    HG   LEU  31           HG       LEU  31  -2.139   4.260  -3.787
  192   HD11  LEU  31          1HD1      LEU  31  -2.218   2.865  -2.063
  193   HD12  LEU  31          2HD1      LEU  31  -3.527   3.847  -1.405
  194   HD13  LEU  31          3HD1      LEU  31  -1.860   4.162  -0.922
  195   HD21  LEU  31          1HD2      LEU  31  -3.415   6.644  -3.284
  196   HD22  LEU  31          2HD2      LEU  31  -4.272   5.506  -2.245
  197   HD23  LEU  31          3HD2      LEU  31  -4.154   5.201  -3.978
  198    H    ILE  32           H        ILE  32   0.924   4.761  -0.784
  199    HA   ILE  32           HA       ILE  32   2.272   7.090  -0.028
  200    HB   ILE  32           HB       ILE  32   3.103   4.426   1.056
  201   HG12  ILE  32          1HG1      ILE  32   0.800   4.033   1.029
  202   HG13  ILE  32          2HG1      ILE  32   1.055   4.741   2.620
  203   HG21  ILE  32          1HG2      ILE  32   3.734   5.584   2.887
  204   HG22  ILE  32          2HG2      ILE  32   3.777   6.934   1.754
  205   HG23  ILE  32          3HG2      ILE  32   2.368   6.696   2.788
  206   HD11  ILE  32          1HD1      ILE  32   0.545   6.951   1.142
  207   HD12  ILE  32          2HD1      ILE  32  -0.455   5.748   0.327
  208   HD13  ILE  32          3HD1      ILE  32  -0.665   6.046   2.052
  209    H    CYS  33           H        CYS  33   3.806   3.948  -0.743
  210    HA   CYS  33           HA       CYS  33   6.406   4.584  -0.825
  211    HB2  CYS  33           1HB      CYS  33   4.853   2.863  -2.753
  212    HB3  CYS  33           2HB      CYS  33   6.609   2.981  -2.812
  213    H    ALA  34           H        ALA  34   4.249   5.030  -3.629
  214    HA   ALA  34           HA       ALA  34   5.903   6.098  -5.477
  215    HB1  ALA  34           1HB      ALA  34   3.596   7.777  -5.425
  216    HB2  ALA  34           2HB      ALA  34   3.978   6.448  -6.521
  217    HB3  ALA  34           3HB      ALA  34   3.120   6.129  -5.014
  218    H    ILE  35           H        ILE  35   4.423   7.918  -2.804
  219    HA   ILE  35           HA       ILE  35   6.220  10.164  -3.397
  220    HB   ILE  35           HB       ILE  35   4.788  11.508  -1.938
  221   HG12  ILE  35          1HG1      ILE  35   3.102   9.006  -1.696
  222   HG13  ILE  35          2HG1      ILE  35   4.094   9.690  -0.412
  223   HG21  ILE  35          1HG2      ILE  35   4.121  10.454  -4.451
  224   HG22  ILE  35          2HG2      ILE  35   2.627  10.477  -3.516
  225   HG23  ILE  35          3HG2      ILE  35   3.556  11.961  -3.729
  226   HD11  ILE  35          1HD1      ILE  35   1.422  10.360  -1.216
  227   HD12  ILE  35          2HD1      ILE  35   2.322  10.849   0.220
  228   HD13  ILE  35          3HD1      ILE  35   2.466  11.780  -1.270
  229    H    SER  36           H        SER  36   7.363   7.897  -2.226
  230    HA   SER  36           HA       SER  36   7.893   8.833   0.519
  231    HB2  SER  36           1HB      SER  36   6.803   6.545   0.258
  232    HB3  SER  36           2HB      SER  36   8.320   6.010  -0.466
  233    HG   SER  36           HG       SER  36   8.329   5.580   1.749
  234    H    HIS  37           H        HIS  37  10.101   8.353   1.314
  235    HA   HIS  37           HA       HIS  37  12.054   9.461  -0.343
  236    HB2  HIS  37           1HB      HIS  37  13.624   8.961   1.385
  237    HB3  HIS  37           2HB      HIS  37  12.097   9.334   2.179
  238    HD1  HIS  37           1HD      HIS  37  10.910   7.420   3.425
  239    HD2  HIS  37           2HD      HIS  37  14.483   6.298   1.626
  240    HE1  HIS  37           1HE      HIS  37  11.461   5.158   4.376
  241    H    THR  38           H        THR  38  11.213   6.103   0.287
  242    HA   THR  38           HA       THR  38  13.408   4.831  -0.850
  243    HB   THR  38           HB       THR  38  10.550   3.863  -1.027
  244    HG1  THR  38           1HG      THR  38  10.685   3.363   1.045
  245   HG21  THR  38          1HG2      THR  38  11.685   2.299  -2.240
  246   HG22  THR  38          2HG2      THR  38  11.992   1.657  -0.626
  247   HG23  THR  38          3HG2      THR  38  13.219   2.630  -1.437
  248    H    HIS  39           H        HIS  39  10.261   5.374  -2.449
  249    HA   HIS  39           HA       HIS  39  11.681   5.367  -5.028
  250    HB2  HIS  39           1HB      HIS  39   8.732   4.876  -4.603
  251    HB3  HIS  39           2HB      HIS  39   9.671   4.580  -6.064
  252    HD2  HIS  39           2HD      HIS  39   8.935   2.902  -2.627
  253    HE1  HIS  39           1HE      HIS  39  11.226   0.211  -4.974
  254    HE2  HIS  39           2HE      HIS  39   9.833   0.491  -2.894
  255    H    ARG  40           H        ARG  40  11.741   7.705  -3.583
  256    HA   ARG  40           HA       ARG  40   9.614   9.478  -4.179
  257    HB2  ARG  40           1HB      ARG  40  11.631   9.644  -2.472
  258    HB3  ARG  40           2HB      ARG  40  12.398  10.489  -3.810
  259    HG2  ARG  40           1HG      ARG  40   9.705  11.260  -2.724
  260    HG3  ARG  40           2HG      ARG  40  11.220  11.928  -2.115
  261    HD2  ARG  40           1HD      ARG  40  10.423  12.019  -5.016
  262    HD3  ARG  40           2HD      ARG  40  10.036  13.301  -3.869
  263    HE   ARG  40           HE       ARG  40  12.833  12.575  -4.019
  264   HH11  ARG  40          2HH1      ARG  40  10.295  14.663  -5.168
  265   HH12  ARG  40          1HH1      ARG  40  11.379  15.903  -5.704
  266   HH21  ARG  40          2HH2      ARG  40  14.271  14.201  -4.721
  267   HH22  ARG  40          1HH2      ARG  40  13.641  15.639  -5.451
  268    H    ALA  41           H        ALA  41  12.904   9.315  -5.557
  269    HA   ALA  41           HA       ALA  41  11.932  10.750  -7.919
  270    HB1  ALA  41           1HB      ALA  41  14.020  11.572  -8.205
  271    HB2  ALA  41           2HB      ALA  41  14.140  11.212  -6.482
  272    HB3  ALA  41           3HB      ALA  41  14.800  10.084  -7.666
  273    H    HIS  42           H        HIS  42  11.055   8.116  -7.690
  274    HA   HIS  42           HA       HIS  42  12.693   6.677  -9.668
  275    HB2  HIS  42           1HB      HIS  42  10.813   5.737  -7.521
  276    HB3  HIS  42           2HB      HIS  42  11.193   4.703  -8.895
  277    HD2  HIS  42           2HD      HIS  42  14.308   6.601  -7.922
  278    HE1  HIS  42           1HE      HIS  42  14.469   2.921  -5.818
  279    HE2  HIS  42           2HE      HIS  42  15.720   5.015  -6.445
  280    H    THR  43           H        THR  43  11.565   5.490 -11.345
  281    HA   THR  43           HA       THR  43   9.362   7.042 -12.417
  282    HB   THR  43           HB       THR  43  10.808   4.683 -13.639
  283    HG1  THR  43           1HG      THR  43  11.892   6.362 -14.828
  284   HG21  THR  43          1HG2      THR  43   8.411   5.570 -14.411
  285   HG22  THR  43          2HG2      THR  43   9.627   5.013 -15.561
  286   HG23  THR  43          3HG2      THR  43   9.418   6.739 -15.265
  287    H    VAL  44           H        VAL  44   7.574   6.499 -11.187
  288    HA   VAL  44           HA       VAL  44   6.815   3.691 -10.964
  289    HB   VAL  44           HB       VAL  44   5.481   6.166  -9.856
  290   HG11  VAL  44          1HG1      VAL  44   3.984   4.780  -8.703
  291   HG12  VAL  44          2HG1      VAL  44   4.030   4.116 -10.337
  292   HG13  VAL  44          3HG1      VAL  44   4.930   3.330  -9.038
  293   HG21  VAL  44          1HG2      VAL  44   7.479   4.235  -8.765
  294   HG22  VAL  44          2HG2      VAL  44   7.418   5.991  -8.617
  295   HG23  VAL  44          3HG2      VAL  44   6.313   4.988  -7.677
  296    H    VAL  45           H        VAL  45   5.143   2.758 -12.024
  297    HA   VAL  45           HA       VAL  45   3.565   4.458 -13.843
  298    HB   VAL  45           HB       VAL  45   3.645   2.816 -15.564
  299   HG11  VAL  45          1HG1      VAL  45   5.896   4.169 -14.676
  300   HG12  VAL  45          2HG1      VAL  45   6.473   2.533 -15.003
  301   HG13  VAL  45          3HG1      VAL  45   5.660   3.453 -16.270
  302   HG21  VAL  45          1HG2      VAL  45   3.618   0.685 -14.871
  303   HG22  VAL  45          2HG2      VAL  45   5.376   0.815 -14.880
  304   HG23  VAL  45          3HG2      VAL  45   4.482   1.059 -13.380
  305    HA   PRO  46           HA       PRO  46   0.020   2.626 -11.984
  306    HB2  PRO  46           1HB      PRO  46  -1.776   3.036 -13.978
  307    HB3  PRO  46           2HB      PRO  46  -1.179   4.337 -12.941
  308    HG2  PRO  46           1HG      PRO  46  -0.317   3.570 -15.704
  309    HG3  PRO  46           2HG      PRO  46  -0.602   5.185 -15.028
  310    HD2  PRO  46           1HD      PRO  46   1.880   4.140 -15.308
  311    HD3  PRO  46           2HD      PRO  46   1.455   5.251 -13.990
  312    H    LEU  47           H        LEU  47  -0.992   0.675 -11.900
  313    HA   LEU  47           HA       LEU  47  -0.287  -1.259 -13.984
  314    HB2  LEU  47           1HB      LEU  47  -1.356  -1.669 -11.195
  315    HB3  LEU  47           2HB      LEU  47  -0.941  -2.958 -12.324
  316    HG   LEU  47           HG       LEU  47   1.016  -0.962 -11.189
  317   HD11  LEU  47          1HD1      LEU  47   0.120  -3.652 -10.288
  318   HD12  LEU  47          2HD1      LEU  47   0.577  -2.235  -9.342
  319   HD13  LEU  47          3HD1      LEU  47   1.821  -3.221 -10.110
  320   HD21  LEU  47          1HD2      LEU  47   2.242  -1.628 -12.933
  321   HD22  LEU  47          2HD2      LEU  47   1.149  -2.961 -13.308
  322   HD23  LEU  47          3HD2      LEU  47   2.396  -3.162 -12.076
  323    H    SER  48           H        SER  48  -2.410   0.699 -14.355
  324    HA   SER  48           HA       SER  48  -4.768  -1.062 -14.430
  325    HB2  SER  48           1HB      SER  48  -4.458   1.913 -14.204
  326    HB3  SER  48           2HB      SER  48  -5.936   1.239 -14.890
  327    HG   SER  48           HG       SER  48  -5.218   1.430 -12.319
  328    H    GLY  49           H        GLY  49  -6.148  -0.935 -16.326
  329    HA2  GLY  49           1HA      GLY  49  -4.725  -0.057 -18.756
  330    HA3  GLY  49           2HA      GLY  49  -5.429  -1.665 -18.661
  331    HA   PRO  50           HA       PRO  50  -8.519   1.774 -19.985
  332    HB2  PRO  50           1HB      PRO  50  -8.237   1.692 -22.684
  333    HB3  PRO  50           2HB      PRO  50  -7.324   2.803 -21.656
  334    HG2  PRO  50           1HG      PRO  50  -6.476   0.188 -22.840
  335    HG3  PRO  50           2HG      PRO  50  -5.573   1.710 -22.727
  336    HD2  PRO  50           1HD      PRO  50  -5.171  -0.353 -21.019
  337    HD3  PRO  50           2HD      PRO  50  -4.985   1.344 -20.528
  338    H    SER  51           H        SER  51  -7.796  -1.463 -20.517
  339    HA   SER  51           HA       SER  51  -9.982  -2.194 -22.192
  340    HB2  SER  51           1HB      SER  51  -8.071  -3.661 -22.066
  341    HB3  SER  51           2HB      SER  51  -8.251  -3.823 -20.319
  342    HG   SER  51           HG       SER  51  -9.117  -5.605 -21.535
  343    H    SER  52           H        SER  52  -9.439  -3.055 -18.775
  344    HA   SER  52           HA       SER  52 -12.012  -3.860 -18.190
  345    HB2  SER  52           1HB      SER  52  -9.841  -3.945 -16.752
  346    HB3  SER  52           2HB      SER  52 -10.385  -2.382 -16.141
  347    HG   SER  52           HG       SER  52 -12.199  -3.331 -15.326
  348    H    GLY  53           H        GLY  53 -10.700  -0.740 -17.065
  349    HA2  GLY  53           1HA      GLY  53 -13.369   0.428 -17.565
  350    HA3  GLY  53           2HA      GLY  53 -12.434   0.798 -16.124
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -19.309 -13.872  -2.386
    2    HA2  GLY   1           1HA      GLY   1 -17.613 -12.326  -1.390
    3    HA3  GLY   1           2HA      GLY   1 -17.839 -13.234   0.097
    4    H    SER   2           H        SER   2 -15.483 -13.492  -0.059
    5    HA   SER   2           HA       SER   2 -13.586 -14.651  -0.570
    6    HB2  SER   2           1HB      SER   2 -15.298 -16.423   0.321
    7    HB3  SER   2           2HB      SER   2 -15.294 -16.992  -1.348
    8    HG   SER   2           HG       SER   2 -13.590 -18.050  -0.700
    9    H    SER   3           H        SER   3 -14.465 -13.064  -2.669
   10    HA   SER   3           HA       SER   3 -13.755 -14.708  -5.011
   11    HB2  SER   3           1HB      SER   3 -15.807 -12.558  -4.680
   12    HB3  SER   3           2HB      SER   3 -15.004 -12.725  -6.241
   13    HG   SER   3           HG       SER   3 -15.828 -14.741  -6.461
   14    H    GLY   4           H        GLY   4 -12.822 -13.320  -6.827
   15    HA2  GLY   4           1HA      GLY   4 -10.862 -12.238  -7.434
   16    HA3  GLY   4           2HA      GLY   4 -11.702 -10.877  -6.704
   17    H    SER   5           H        SER   5  -9.361 -13.437  -6.147
   18    HA   SER   5           HA       SER   5  -8.521 -12.120  -3.661
   19    HB2  SER   5           1HB      SER   5  -7.263 -14.199  -3.211
   20    HB3  SER   5           2HB      SER   5  -8.978 -14.517  -3.469
   21    HG   SER   5           HG       SER   5  -7.231 -15.828  -4.624
   22    H    SER   6           H        SER   6  -7.187 -13.462  -6.670
   23    HA   SER   6           HA       SER   6  -4.551 -12.938  -6.479
   24    HB2  SER   6           1HB      SER   6  -6.184 -12.188  -8.913
   25    HB3  SER   6           2HB      SER   6  -4.478 -12.631  -8.879
   26    HG   SER   6           HG       SER   6  -5.577 -14.449  -9.463
   27    H    GLY   7           H        GLY   7  -7.053 -10.528  -7.192
   28    HA2  GLY   7           1HA      GLY   7  -5.179  -8.366  -7.418
   29    HA3  GLY   7           2HA      GLY   7  -6.929  -8.226  -7.343
   30    H    GLU   8           H        GLU   8  -7.320  -6.777  -5.788
   31    HA   GLU   8           HA       GLU   8  -7.072  -5.609  -3.815
   32    HB2  GLU   8           1HB      GLU   8  -8.476  -7.828  -3.465
   33    HB3  GLU   8           2HB      GLU   8  -7.130  -8.242  -2.413
   34    HG2  GLU   8           1HG      GLU   8  -8.587  -7.259  -0.943
   35    HG3  GLU   8           2HG      GLU   8  -7.554  -5.899  -1.381
   36    H    SER   9           H        SER   9  -4.561  -5.998  -4.906
   37    HA   SER   9           HA       SER   9  -2.705  -7.217  -3.168
   38    HB2  SER   9           1HB      SER   9  -2.427  -5.079  -5.279
   39    HB3  SER   9           2HB      SER   9  -1.045  -5.678  -4.361
   40    HG   SER   9           HG       SER   9  -2.210  -6.767  -6.490
   41    H    LEU  10           H        LEU  10  -1.163  -6.217  -1.760
   42    HA   LEU  10           HA       LEU  10  -1.730  -3.528  -0.816
   43    HB2  LEU  10           1HB      LEU  10  -1.988  -5.971   0.926
   44    HB3  LEU  10           2HB      LEU  10  -1.837  -4.331   1.555
   45    HG   LEU  10           HG       LEU  10  -4.082  -5.217  -0.249
   46   HD11  LEU  10          1HD1      LEU  10  -5.351  -5.033   2.019
   47   HD12  LEU  10          2HD1      LEU  10  -3.767  -5.374   2.714
   48   HD13  LEU  10          3HD1      LEU  10  -4.505  -6.523   1.598
   49   HD21  LEU  10          1HD2      LEU  10  -4.336  -2.995  -0.363
   50   HD22  LEU  10          2HD2      LEU  10  -3.264  -2.704   1.007
   51   HD23  LEU  10          3HD2      LEU  10  -4.952  -3.133   1.284
   52    H    CYS  11           H        CYS  11   0.009  -2.541   0.146
   53    HA   CYS  11           HA       CYS  11   2.574  -3.615  -0.392
   54    HB2  CYS  11           1HB      CYS  11   1.759  -1.128  -0.149
   55    HB3  CYS  11           2HB      CYS  11   2.180  -1.365   1.544
   56    HA   PRO  12           HA       PRO  12   3.175  -6.054   3.244
   57    HB2  PRO  12           1HB      PRO  12   5.861  -6.376   3.019
   58    HB3  PRO  12           2HB      PRO  12   4.701  -7.238   2.000
   59    HG2  PRO  12           1HG      PRO  12   6.303  -4.784   1.388
   60    HG3  PRO  12           2HG      PRO  12   5.982  -6.195   0.363
   61    HD2  PRO  12           1HD      PRO  12   4.629  -3.864   0.099
   62    HD3  PRO  12           2HD      PRO  12   3.886  -5.442  -0.233
   63    H    GLN  13           H        GLN  13   4.153  -2.886   2.825
   64    HA   GLN  13           HA       GLN  13   5.209  -2.763   5.573
   65    HB2  GLN  13           1HB      GLN  13   6.137  -1.456   3.069
   66    HB3  GLN  13           2HB      GLN  13   6.219  -0.511   4.550
   67    HG2  GLN  13           1HG      GLN  13   8.322  -1.624   4.128
   68    HG3  GLN  13           2HG      GLN  13   7.570  -2.255   5.592
   69   HE21  GLN  13          1HE2      GLN  13   8.370  -2.911   2.265
   70   HE22  GLN  13          2HE2      GLN  13   8.165  -4.624   2.345
   71    H    HIS  14           H        HIS  14   3.263  -1.193   3.092
   72    HA   HIS  14           HA       HIS  14   2.191   0.658   5.101
   73    HB2  HIS  14           1HB      HIS  14   1.823   0.678   2.098
   74    HB3  HIS  14           2HB      HIS  14   1.285   1.924   3.220
   75    HD2  HIS  14           2HD      HIS  14   3.417   3.465   4.370
   76    HE1  HIS  14           1HE      HIS  14   6.237   2.272   1.433
   77    HE2  HIS  14           2HE      HIS  14   5.771   3.826   3.360
   78    H    HIS  15           H        HIS  15   1.371  -2.063   3.117
   79    HA   HIS  15           HA       HIS  15  -0.475  -3.388   3.005
   80    HB2  HIS  15           1HB      HIS  15  -1.131  -1.927   5.567
   81    HB3  HIS  15           2HB      HIS  15  -2.081  -3.272   4.942
   82    HD1  HIS  15           1HD      HIS  15  -1.388  -5.519   5.721
   83    HD2  HIS  15           2HD      HIS  15   1.677  -2.736   6.080
   84    HE1  HIS  15           1HE      HIS  15   0.488  -6.730   6.878
   85    H    GLU  16           H        GLU  16  -0.417  -0.767   1.698
   86    HA   GLU  16           HA       GLU  16  -3.273  -0.078   1.677
   87    HB2  GLU  16           1HB      GLU  16  -0.779   1.421   1.022
   88    HB3  GLU  16           2HB      GLU  16  -2.256   1.857   0.176
   89    HG2  GLU  16           1HG      GLU  16  -1.883   3.248   2.145
   90    HG3  GLU  16           2HG      GLU  16  -3.368   2.307   2.275
   91    H    ALA  17           H        ALA  17  -4.419   0.056  -0.278
   92    HA   ALA  17           HA       ALA  17  -4.191  -1.970  -2.075
   93    HB1  ALA  17           1HB      ALA  17  -5.334  -0.202  -3.694
   94    HB2  ALA  17           2HB      ALA  17  -6.184  -0.902  -2.315
   95    HB3  ALA  17           3HB      ALA  17  -5.467   0.704  -2.187
   96    H    LEU  18           H        LEU  18  -2.677  -2.547  -3.475
   97    HA   LEU  18           HA       LEU  18  -0.647  -0.670  -4.317
   98    HB2  LEU  18           1HB      LEU  18  -1.039  -3.571  -5.036
   99    HB3  LEU  18           2HB      LEU  18   0.390  -2.603  -5.392
  100    HG   LEU  18           HG       LEU  18  -0.572  -3.309  -2.620
  101   HD11  LEU  18          1HD1      LEU  18   0.948  -4.811  -4.553
  102   HD12  LEU  18          2HD1      LEU  18   0.356  -5.295  -2.965
  103   HD13  LEU  18          3HD1      LEU  18   1.909  -4.474  -3.114
  104   HD21  LEU  18          1HD2      LEU  18   2.198  -2.500  -2.988
  105   HD22  LEU  18          2HD2      LEU  18   1.004  -1.952  -1.810
  106   HD23  LEU  18          3HD2      LEU  18   1.051  -1.232  -3.420
  107    H    SER  19           H        SER  19  -1.218   0.724  -5.868
  108    HA   SER  19           HA       SER  19  -2.422  -0.381  -8.318
  109    HB2  SER  19           1HB      SER  19  -3.671   1.723  -8.604
  110    HB3  SER  19           2HB      SER  19  -4.116   0.915  -7.101
  111    HG   SER  19           HG       SER  19  -3.309   2.523  -5.998
  112    H    LEU  20           H        LEU  20   0.377   0.126  -7.584
  113    HA   LEU  20           HA       LEU  20   1.075   1.726  -9.912
  114    HB2  LEU  20           1HB      LEU  20   2.083   2.326  -7.136
  115    HB3  LEU  20           2HB      LEU  20   2.792   2.978  -8.612
  116    HG   LEU  20           HG       LEU  20  -0.079   3.461  -7.854
  117   HD11  LEU  20          1HD1      LEU  20   2.190   5.353  -7.307
  118   HD12  LEU  20          2HD1      LEU  20   1.571   4.235  -6.092
  119   HD13  LEU  20          3HD1      LEU  20   0.512   5.467  -6.777
  120   HD21  LEU  20          1HD2      LEU  20   1.044   3.825 -10.221
  121   HD22  LEU  20          2HD2      LEU  20   1.604   5.313  -9.457
  122   HD23  LEU  20          3HD2      LEU  20  -0.124   4.972  -9.563
  123    H    PHE  21           H        PHE  21   3.303   1.438 -10.580
  124    HA   PHE  21           HA       PHE  21   4.672  -0.854  -9.370
  125    HB2  PHE  21           1HB      PHE  21   3.385  -1.779 -11.218
  126    HB3  PHE  21           2HB      PHE  21   4.041  -0.567 -12.314
  127    HD1  PHE  21           1HD      PHE  21   4.751  -3.632 -10.443
  128    HD2  PHE  21           2HD      PHE  21   6.272  -0.757 -13.188
  129    HE1  PHE  21           1HE      PHE  21   6.613  -5.144 -10.988
  130    HE2  PHE  21           2HE      PHE  21   8.136  -2.265 -13.739
  131    HZ   PHE  21           HZ       PHE  21   8.308  -4.462 -12.639
  132    H    CYS  22           H        CYS  22   6.769  -0.479  -9.081
  133    HA   CYS  22           HA       CYS  22   7.952   1.882 -10.332
  134    HB2  CYS  22           1HB      CYS  22   8.050   1.451  -7.824
  135    HB3  CYS  22           2HB      CYS  22   9.186   0.156  -8.187
  136    H    TYR  23           H        TYR  23   9.346   1.748 -11.959
  137    HA   TYR  23           HA       TYR  23  10.055  -0.768 -13.090
  138    HB2  TYR  23           1HB      TYR  23  10.546   2.092 -13.745
  139    HB3  TYR  23           2HB      TYR  23  11.642   0.905 -14.444
  140    HD1  TYR  23           1HD      TYR  23   7.952   0.911 -13.828
  141    HD2  TYR  23           2HD      TYR  23  11.108   0.557 -16.661
  142    HE1  TYR  23           1HE      TYR  23   6.306   0.441 -15.594
  143    HE2  TYR  23           2HE      TYR  23   9.470   0.087 -18.435
  144    HH   TYR  23           HH       TYR  23   6.879  -0.966 -18.314
  145    H    GLU  24           H        GLU  24  12.160   1.873 -11.933
  146    HA   GLU  24           HA       GLU  24  14.588   0.760 -11.957
  147    HB2  GLU  24           1HB      GLU  24  13.763   2.983 -10.873
  148    HB3  GLU  24           2HB      GLU  24  13.723   2.044  -9.387
  149    HG2  GLU  24           1HG      GLU  24  16.185   2.080 -11.076
  150    HG3  GLU  24           2HG      GLU  24  15.832   3.415  -9.979
  151    H    ASP  25           H        ASP  25  12.432   0.348  -9.141
  152    HA   ASP  25           HA       ASP  25  14.035  -1.706  -7.995
  153    HB2  ASP  25           1HB      ASP  25  11.209  -0.794  -7.436
  154    HB3  ASP  25           2HB      ASP  25  12.030  -2.037  -6.497
  155    H    GLN  26           H        GLN  26  11.282  -1.658 -10.153
  156    HA   GLN  26           HA       GLN  26  10.375  -3.283 -11.469
  157    HB2  GLN  26           1HB      GLN  26  12.918  -4.023 -11.418
  158    HB3  GLN  26           2HB      GLN  26  12.274  -5.358 -10.471
  159    HG2  GLN  26           1HG      GLN  26  12.128  -6.275 -12.535
  160    HG3  GLN  26           2HG      GLN  26  10.557  -5.478 -12.474
  161   HE21  GLN  26          1HE2      GLN  26  10.313  -3.461 -13.562
  162   HE22  GLN  26          2HE2      GLN  26  11.321  -3.066 -14.907
  163    H    GLU  27           H        GLU  27   9.117  -2.793  -9.148
  164    HA   GLU  27           HA       GLU  27   7.863  -5.328  -8.590
  165    HB2  GLU  27           1HB      GLU  27   8.157  -5.241  -6.170
  166    HB3  GLU  27           2HB      GLU  27   9.715  -5.347  -6.979
  167    HG2  GLU  27           1HG      GLU  27   9.941  -2.882  -6.718
  168    HG3  GLU  27           2HG      GLU  27   8.467  -2.902  -5.751
  169    H    ALA  28           H        ALA  28   5.830  -5.116  -7.544
  170    HA   ALA  28           HA       ALA  28   4.454  -2.715  -8.187
  171    HB1  ALA  28           1HB      ALA  28   2.869  -4.283  -8.271
  172    HB2  ALA  28           2HB      ALA  28   3.770  -5.371  -7.214
  173    HB3  ALA  28           3HB      ALA  28   2.762  -4.101  -6.520
  174    H    VAL  29           H        VAL  29   3.754  -1.058  -6.920
  175    HA   VAL  29           HA       VAL  29   4.463  -1.134  -4.064
  176    HB   VAL  29           HB       VAL  29   5.120   1.234  -4.175
  177   HG11  VAL  29          1HG1      VAL  29   7.256   0.904  -5.417
  178   HG12  VAL  29          2HG1      VAL  29   6.877  -0.392  -4.281
  179   HG13  VAL  29          3HG1      VAL  29   6.618  -0.630  -6.009
  180   HG21  VAL  29          1HG2      VAL  29   5.458   1.270  -7.082
  181   HG22  VAL  29          2HG2      VAL  29   3.776   1.289  -6.551
  182   HG23  VAL  29          3HG2      VAL  29   4.893   2.534  -5.989
  183    H    CYS  30           H        CYS  30   3.485   1.103  -3.101
  184    HA   CYS  30           HA       CYS  30   0.641   1.073  -3.870
  185    HB2  CYS  30           1HB      CYS  30   0.099   1.603  -1.570
  186    HB3  CYS  30           2HB      CYS  30   1.133   0.178  -1.605
  187    H    LEU  31           H        LEU  31  -0.530   3.135  -3.282
  188    HA   LEU  31           HA       LEU  31   0.484   5.279  -4.717
  189    HB2  LEU  31           1HB      LEU  31  -1.351   6.536  -3.937
  190    HB3  LEU  31           2HB      LEU  31  -1.903   4.866  -4.053
  191    HG   LEU  31           HG       LEU  31  -1.233   4.883  -1.475
  192   HD11  LEU  31          1HD1      LEU  31  -1.022   7.615  -2.212
  193   HD12  LEU  31          2HD1      LEU  31  -0.837   6.885  -0.618
  194   HD13  LEU  31          3HD1      LEU  31  -2.423   7.434  -1.157
  195   HD21  LEU  31          1HD2      LEU  31  -3.543   4.771  -2.904
  196   HD22  LEU  31          2HD2      LEU  31  -3.815   6.204  -1.912
  197   HD23  LEU  31          3HD2      LEU  31  -3.441   4.659  -1.146
  198    H    ILE  32           H        ILE  32   0.707   4.567  -1.276
  199    HA   ILE  32           HA       ILE  32   1.812   7.061  -0.502
  200    HB   ILE  32           HB       ILE  32   1.961   4.354   0.826
  201   HG12  ILE  32          1HG1      ILE  32   0.256   6.786   1.406
  202   HG13  ILE  32          2HG1      ILE  32  -0.302   5.313   0.622
  203   HG21  ILE  32          1HG2      ILE  32   3.817   5.613   1.625
  204   HG22  ILE  32          2HG2      ILE  32   2.832   7.063   1.807
  205   HG23  ILE  32          3HG2      ILE  32   2.567   5.679   2.867
  206   HD11  ILE  32          1HD1      ILE  32   0.381   4.094   2.723
  207   HD12  ILE  32          2HD1      ILE  32   0.571   5.683   3.466
  208   HD13  ILE  32          3HD1      ILE  32  -1.005   5.177   2.857
  209    H    CYS  33           H        CYS  33   3.176   4.088  -1.740
  210    HA   CYS  33           HA       CYS  33   5.869   4.552  -1.049
  211    HB2  CYS  33           1HB      CYS  33   4.437   2.809  -2.994
  212    HB3  CYS  33           2HB      CYS  33   6.162   3.059  -3.243
  213    H    ALA  34           H        ALA  34   4.174   5.088  -4.141
  214    HA   ALA  34           HA       ALA  34   6.222   6.238  -5.578
  215    HB1  ALA  34           1HB      ALA  34   3.264   6.778  -5.646
  216    HB2  ALA  34           2HB      ALA  34   4.395   7.470  -6.809
  217    HB3  ALA  34           3HB      ALA  34   4.204   5.721  -6.699
  218    H    ILE  35           H        ILE  35   3.923   7.855  -3.405
  219    HA   ILE  35           HA       ILE  35   5.333  10.382  -3.712
  220    HB   ILE  35           HB       ILE  35   3.593  11.359  -2.355
  221   HG12  ILE  35          1HG1      ILE  35   2.196   8.723  -2.087
  222   HG13  ILE  35          2HG1      ILE  35   3.459   9.149  -0.938
  223   HG21  ILE  35          1HG2      ILE  35   1.786   9.705  -3.903
  224   HG22  ILE  35          2HG2      ILE  35   2.189  11.412  -4.083
  225   HG23  ILE  35          3HG2      ILE  35   3.209  10.182  -4.830
  226   HD11  ILE  35          1HD1      ILE  35   1.681  11.356  -1.221
  227   HD12  ILE  35          2HD1      ILE  35   0.751   9.891  -0.901
  228   HD13  ILE  35          3HD1      ILE  35   2.032  10.382   0.207
  229    H    SER  36           H        SER  36   6.852   8.302  -2.547
  230    HA   SER  36           HA       SER  36   7.212   9.373   0.174
  231    HB2  SER  36           1HB      SER  36   6.308   7.120   0.351
  232    HB3  SER  36           2HB      SER  36   7.552   6.505  -0.737
  233    HG   SER  36           HG       SER  36   8.425   7.881   1.514
  234    H    HIS  37           H        HIS  37   9.261   9.876   0.786
  235    HA   HIS  37           HA       HIS  37  11.173  10.684  -0.927
  236    HB2  HIS  37           1HB      HIS  37  11.335   9.639   1.867
  237    HB3  HIS  37           2HB      HIS  37  12.835   9.968   1.006
  238    HD1  HIS  37           1HD      HIS  37  13.362  12.446   0.447
  239    HD2  HIS  37           2HD      HIS  37   9.879  11.889   2.641
  240    HE1  HIS  37           1HE      HIS  37  12.729  14.728   1.294
  241    H    THR  38           H        THR  38  10.819   7.391   0.310
  242    HA   THR  38           HA       THR  38  13.136   6.244  -0.671
  243    HB   THR  38           HB       THR  38  10.398   4.965  -0.535
  244    HG1  THR  38           1HG      THR  38  11.194   5.819   1.474
  245   HG21  THR  38          1HG2      THR  38  11.728   3.526  -1.838
  246   HG22  THR  38          2HG2      THR  38  11.838   2.877  -0.202
  247   HG23  THR  38          3HG2      THR  38  13.164   3.832  -0.863
  248    H    HIS  39           H        HIS  39   9.957   6.015  -2.279
  249    HA   HIS  39           HA       HIS  39  11.330   5.591  -4.826
  250    HB2  HIS  39           1HB      HIS  39   8.412   5.298  -4.080
  251    HB3  HIS  39           2HB      HIS  39   9.089   4.942  -5.666
  252    HD2  HIS  39           2HD      HIS  39   9.358   3.509  -1.999
  253    HE1  HIS  39           1HE      HIS  39  10.443   0.494  -4.779
  254    HE2  HIS  39           2HE      HIS  39   9.940   1.016  -2.367
  255    H    ARG  40           H        ARG  40  11.557   8.171  -3.860
  256    HA   ARG  40           HA       ARG  40   9.529   9.846  -5.038
  257    HB2  ARG  40           1HB      ARG  40  10.984  10.357  -2.968
  258    HB3  ARG  40           2HB      ARG  40  12.238  10.781  -4.126
  259    HG2  ARG  40           1HG      ARG  40  11.266  12.820  -3.689
  260    HG3  ARG  40           2HG      ARG  40  10.419  12.316  -5.152
  261    HD2  ARG  40           1HD      ARG  40   9.265  11.546  -2.524
  262    HD3  ARG  40           2HD      ARG  40   9.127  13.229  -3.029
  263    HE   ARG  40           HE       ARG  40   7.690  10.994  -4.082
  264   HH11  ARG  40          2HH1      ARG  40   8.990  14.129  -4.858
  265   HH12  ARG  40          1HH1      ARG  40   7.858  14.427  -6.135
  266   HH21  ARG  40          2HH2      ARG  40   6.194  11.375  -5.761
  267   HH22  ARG  40          1HH2      ARG  40   6.267  12.860  -6.647
  268    H    ALA  41           H        ALA  41  13.029   9.463  -5.630
  269    HA   ALA  41           HA       ALA  41  12.741  10.668  -8.256
  270    HB1  ALA  41           1HB      ALA  41  15.201   9.589  -6.883
  271    HB2  ALA  41           2HB      ALA  41  15.168  10.538  -8.370
  272    HB3  ALA  41           3HB      ALA  41  14.655  11.266  -6.848
  273    H    HIS  42           H        HIS  42  11.341   8.253  -7.993
  274    HA   HIS  42           HA       HIS  42  12.926   6.448  -9.702
  275    HB2  HIS  42           1HB      HIS  42  10.878   5.870  -7.580
  276    HB3  HIS  42           2HB      HIS  42  11.198   4.703  -8.859
  277    HD2  HIS  42           2HD      HIS  42  14.559   6.020  -8.247
  278    HE1  HIS  42           1HE      HIS  42  14.071   3.061  -5.245
  279    HE2  HIS  42           2HE      HIS  42  15.694   4.594  -6.412
  280    H    THR  43           H        THR  43  11.574   5.110 -11.200
  281    HA   THR  43           HA       THR  43   9.556   6.833 -12.447
  282    HB   THR  43           HB       THR  43  10.903   4.410 -13.650
  283    HG1  THR  43           1HG      THR  43  12.531   5.673 -14.150
  284   HG21  THR  43          1HG2      THR  43   8.661   5.753 -14.479
  285   HG22  THR  43          2HG2      THR  43   9.731   4.817 -15.523
  286   HG23  THR  43          3HG2      THR  43   9.940   6.562 -15.383
  287    H    VAL  44           H        VAL  44   7.736   6.327 -11.236
  288    HA   VAL  44           HA       VAL  44   6.903   3.534 -11.065
  289    HB   VAL  44           HB       VAL  44   5.705   6.044  -9.889
  290   HG11  VAL  44          1HG1      VAL  44   4.245   4.472  -8.620
  291   HG12  VAL  44          2HG1      VAL  44   3.906   4.529 -10.351
  292   HG13  VAL  44          3HG1      VAL  44   4.809   3.174  -9.672
  293   HG21  VAL  44          1HG2      VAL  44   6.341   4.727  -7.750
  294   HG22  VAL  44          2HG2      VAL  44   7.422   3.836  -8.821
  295   HG23  VAL  44          3HG2      VAL  44   7.603   5.580  -8.638
  296    H    VAL  45           H        VAL  45   4.799   2.853 -11.754
  297    HA   VAL  45           HA       VAL  45   3.518   4.561 -13.769
  298    HB   VAL  45           HB       VAL  45   3.313   2.743 -15.342
  299   HG11  VAL  45          1HG1      VAL  45   6.157   2.366 -14.904
  300   HG12  VAL  45          2HG1      VAL  45   5.314   3.176 -16.226
  301   HG13  VAL  45          3HG1      VAL  45   5.672   4.053 -14.737
  302   HG21  VAL  45          1HG2      VAL  45   3.234   0.961 -13.560
  303   HG22  VAL  45          2HG2      VAL  45   4.172   0.559 -14.998
  304   HG23  VAL  45          3HG2      VAL  45   4.995   1.042 -13.515
  305    HA   PRO  46           HA       PRO  46  -0.200   3.316 -11.768
  306    HB2  PRO  46           1HB      PRO  46  -1.961   3.818 -13.772
  307    HB3  PRO  46           2HB      PRO  46  -1.190   5.098 -12.828
  308    HG2  PRO  46           1HG      PRO  46  -0.474   4.050 -15.539
  309    HG3  PRO  46           2HG      PRO  46  -0.544   5.729 -14.971
  310    HD2  PRO  46           1HD      PRO  46   1.784   4.363 -15.198
  311    HD3  PRO  46           2HD      PRO  46   1.521   5.602 -13.954
  312    H    LEU  47           H        LEU  47  -0.652   1.244 -11.375
  313    HA   LEU  47           HA       LEU  47  -0.562  -0.746 -13.461
  314    HB2  LEU  47           1HB      LEU  47  -0.851  -0.736 -10.509
  315    HB3  LEU  47           2HB      LEU  47  -1.492  -2.127 -11.382
  316    HG   LEU  47           HG       LEU  47   1.367  -1.166 -11.485
  317   HD11  LEU  47          1HD1      LEU  47   0.247  -2.367  -9.370
  318   HD12  LEU  47          2HD1      LEU  47   1.912  -2.652  -9.874
  319   HD13  LEU  47          3HD1      LEU  47   0.644  -3.788 -10.336
  320   HD21  LEU  47          1HD2      LEU  47   1.721  -2.596 -13.155
  321   HD22  LEU  47          2HD2      LEU  47  -0.032  -2.671 -13.338
  322   HD23  LEU  47          3HD2      LEU  47   0.805  -3.874 -12.356
  323    H    SER  48           H        SER  48  -3.047   0.547 -11.269
  324    HA   SER  48           HA       SER  48  -5.170  -0.967 -12.395
  325    HB2  SER  48           1HB      SER  48  -4.974   0.327 -10.096
  326    HB3  SER  48           2HB      SER  48  -5.687   1.643 -11.029
  327    HG   SER  48           HG       SER  48  -7.358   0.476 -10.162
  328    H    GLY  49           H        GLY  49  -5.346  -0.731 -14.585
  329    HA2  GLY  49           1HA      GLY  49  -6.892   0.691 -16.004
  330    HA3  GLY  49           2HA      GLY  49  -5.802   2.007 -15.592
  331    HA   PRO  50           HA       PRO  50  -4.420  -0.550 -19.406
  332    HB2  PRO  50           1HB      PRO  50  -5.475   0.969 -21.394
  333    HB3  PRO  50           2HB      PRO  50  -6.325  -0.409 -20.684
  334    HG2  PRO  50           1HG      PRO  50  -6.648   2.512 -20.115
  335    HG3  PRO  50           2HG      PRO  50  -7.894   1.267 -20.317
  336    HD2  PRO  50           1HD      PRO  50  -7.100   2.153 -17.885
  337    HD3  PRO  50           2HD      PRO  50  -7.639   0.484 -18.164
  338    H    SER  51           H        SER  51  -4.097   2.411 -17.977
  339    HA   SER  51           HA       SER  51  -2.701   4.210 -18.223
  340    HB2  SER  51           1HB      SER  51  -0.350   3.573 -18.684
  341    HB3  SER  51           2HB      SER  51  -1.118   2.489 -17.524
  342    HG   SER  51           HG       SER  51   0.129   1.741 -19.623
  343    H    SER  52           H        SER  52  -4.448   4.017 -20.373
  344    HA   SER  52           HA       SER  52  -2.749   4.888 -22.619
  345    HB2  SER  52           1HB      SER  52  -3.965   2.778 -23.098
  346    HB3  SER  52           2HB      SER  52  -5.490   3.611 -22.798
  347    HG   SER  52           HG       SER  52  -5.296   3.871 -24.913
  348    H    GLY  53           H        GLY  53  -5.866   5.334 -20.984
  349    HA2  GLY  53           1HA      GLY  53  -6.752   7.456 -20.417
  350    HA3  GLY  53           2HA      GLY  53  -5.729   8.184 -21.647
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -15.412 -22.469   5.717
    2    HA2  GLY   1           1HA      GLY   1 -15.002 -21.346   3.754
    3    HA3  GLY   1           2HA      GLY   1 -13.521 -20.833   4.548
    4    H    SER   2           H        SER   2 -13.836 -21.317   1.757
    5    HA   SER   2           HA       SER   2 -12.076 -23.658   1.420
    6    HB2  SER   2           1HB      SER   2 -14.323 -22.618  -0.269
    7    HB3  SER   2           2HB      SER   2 -12.997 -23.494  -1.034
    8    HG   SER   2           HG       SER   2 -14.433 -24.501   1.190
    9    H    SER   3           H        SER   3 -10.887 -23.419  -0.830
   10    HA   SER   3           HA       SER   3  -9.291 -21.020  -0.584
   11    HB2  SER   3           1HB      SER   3  -7.756 -22.077  -2.090
   12    HB3  SER   3           2HB      SER   3  -8.326 -23.324  -0.982
   13    HG   SER   3           HG       SER   3  -9.753 -24.028  -2.596
   14    H    GLY   4           H        GLY   4  -8.911 -19.507  -2.238
   15    HA2  GLY   4           1HA      GLY   4  -9.369 -18.895  -4.605
   16    HA3  GLY   4           2HA      GLY   4 -11.012 -19.446  -4.317
   17    H    SER   5           H        SER   5 -11.826 -17.409  -4.947
   18    HA   SER   5           HA       SER   5 -12.307 -15.165  -4.745
   19    HB2  SER   5           1HB      SER   5 -13.343 -14.652  -2.562
   20    HB3  SER   5           2HB      SER   5 -13.848 -16.229  -3.168
   21    HG   SER   5           HG       SER   5 -13.183 -16.928  -1.306
   22    H    SER   6           H        SER   6  -9.547 -15.505  -4.744
   23    HA   SER   6           HA       SER   6  -8.661 -13.542  -2.732
   24    HB2  SER   6           1HB      SER   6  -6.394 -14.483  -3.005
   25    HB3  SER   6           2HB      SER   6  -7.545 -15.706  -2.468
   26    HG   SER   6           HG       SER   6  -6.777 -16.769  -4.118
   27    H    GLY   7           H        GLY   7  -7.045 -11.994  -3.415
   28    HA2  GLY   7           1HA      GLY   7  -6.001 -11.543  -5.885
   29    HA3  GLY   7           2HA      GLY   7  -7.645 -10.938  -6.027
   30    H    GLU   8           H        GLU   8  -8.154  -9.689  -3.728
   31    HA   GLU   8           HA       GLU   8  -7.096  -7.199  -3.939
   32    HB2  GLU   8           1HB      GLU   8  -8.001  -8.611  -1.428
   33    HB3  GLU   8           2HB      GLU   8  -7.681  -6.884  -1.515
   34    HG2  GLU   8           1HG      GLU   8  -9.627  -8.181  -3.379
   35    HG3  GLU   8           2HG      GLU   8 -10.101  -7.713  -1.747
   36    H    SER   9           H        SER   9  -5.029  -6.621  -4.019
   37    HA   SER   9           HA       SER   9  -3.109  -7.924  -2.220
   38    HB2  SER   9           1HB      SER   9  -2.639  -6.252  -4.700
   39    HB3  SER   9           2HB      SER   9  -1.374  -6.995  -3.722
   40    HG   SER   9           HG       SER   9  -1.732  -8.457  -5.284
   41    H    LEU  10           H        LEU  10  -1.534  -6.637  -1.107
   42    HA   LEU  10           HA       LEU  10  -2.054  -3.786  -0.863
   43    HB2  LEU  10           1HB      LEU  10  -2.076  -5.551   1.575
   44    HB3  LEU  10           2HB      LEU  10  -2.375  -3.816   1.504
   45    HG   LEU  10           HG       LEU  10  -4.182  -5.855   0.218
   46   HD11  LEU  10          1HD1      LEU  10  -3.797  -5.377   2.984
   47   HD12  LEU  10          2HD1      LEU  10  -5.019  -6.378   2.200
   48   HD13  LEU  10          3HD1      LEU  10  -5.349  -4.676   2.522
   49   HD21  LEU  10          1HD2      LEU  10  -4.944  -3.108   1.110
   50   HD22  LEU  10          2HD2      LEU  10  -5.659  -4.120  -0.144
   51   HD23  LEU  10          3HD2      LEU  10  -4.105  -3.333  -0.425
   52    H    CYS  11           H        CYS  11  -0.291  -2.613  -0.204
   53    HA   CYS  11           HA       CYS  11   2.248  -3.554  -0.665
   54    HB2  CYS  11           1HB      CYS  11   1.492  -1.141  -0.399
   55    HB3  CYS  11           2HB      CYS  11   1.645  -1.379   1.339
   56    HA   PRO  12           HA       PRO  12   3.149  -6.144   2.801
   57    HB2  PRO  12           1HB      PRO  12   5.829  -6.338   2.412
   58    HB3  PRO  12           2HB      PRO  12   4.649  -7.198   1.416
   59    HG2  PRO  12           1HG      PRO  12   6.111  -4.649   0.844
   60    HG3  PRO  12           2HG      PRO  12   5.790  -6.021  -0.233
   61    HD2  PRO  12           1HD      PRO  12   4.330  -3.742  -0.302
   62    HD3  PRO  12           2HD      PRO  12   3.635  -5.333  -0.674
   63    H    GLN  13           H        GLN  13   3.954  -2.921   2.501
   64    HA   GLN  13           HA       GLN  13   5.110  -2.881   5.209
   65    HB2  GLN  13           1HB      GLN  13   5.838  -1.168   2.833
   66    HB3  GLN  13           2HB      GLN  13   6.306  -0.777   4.483
   67    HG2  GLN  13           1HG      GLN  13   7.568  -2.837   4.645
   68    HG3  GLN  13           2HG      GLN  13   7.050  -3.303   3.026
   69   HE21  GLN  13          1HE2      GLN  13   9.574  -2.160   4.683
   70   HE22  GLN  13          2HE2      GLN  13  10.370  -1.242   3.455
   71    H    HIS  14           H        HIS  14   3.117  -1.240   2.812
   72    HA   HIS  14           HA       HIS  14   2.094   0.570   4.879
   73    HB2  HIS  14           1HB      HIS  14   1.825   0.578   1.870
   74    HB3  HIS  14           2HB      HIS  14   0.959   1.695   2.922
   75    HD2  HIS  14           2HD      HIS  14   2.797   3.386   4.483
   76    HE1  HIS  14           1HE      HIS  14   5.832   3.058   1.536
   77    HE2  HIS  14           2HE      HIS  14   5.076   4.255   3.619
   78    H    HIS  15           H        HIS  15   1.276  -2.244   3.100
   79    HA   HIS  15           HA       HIS  15  -0.579  -3.559   3.010
   80    HB2  HIS  15           1HB      HIS  15  -1.363  -2.091   5.536
   81    HB3  HIS  15           2HB      HIS  15  -1.971  -3.655   5.002
   82    HD1  HIS  15           1HD      HIS  15  -1.073  -5.226   6.709
   83    HD2  HIS  15           2HD      HIS  15   1.831  -2.605   5.310
   84    HE1  HIS  15           1HE      HIS  15   1.085  -6.000   7.742
   85    H    GLU  16           H        GLU  16  -0.712  -1.338   1.391
   86    HA   GLU  16           HA       GLU  16  -3.575  -0.657   1.532
   87    HB2  GLU  16           1HB      GLU  16  -1.217   1.088   0.896
   88    HB3  GLU  16           2HB      GLU  16  -2.801   1.461   0.230
   89    HG2  GLU  16           1HG      GLU  16  -2.519   0.994   3.159
   90    HG3  GLU  16           2HG      GLU  16  -2.015   2.536   2.468
   91    H    ALA  17           H        ALA  17  -4.720  -0.653  -0.389
   92    HA   ALA  17           HA       ALA  17  -4.282  -2.501  -2.294
   93    HB1  ALA  17           1HB      ALA  17  -5.694  -1.141  -3.828
   94    HB2  ALA  17           2HB      ALA  17  -6.361  -1.315  -2.204
   95    HB3  ALA  17           3HB      ALA  17  -5.577   0.192  -2.679
   96    H    LEU  18           H        LEU  18  -2.805  -2.881  -3.803
   97    HA   LEU  18           HA       LEU  18  -0.834  -0.863  -4.440
   98    HB2  LEU  18           1HB      LEU  18  -1.139  -3.725  -5.332
   99    HB3  LEU  18           2HB      LEU  18   0.216  -2.683  -5.762
  100    HG   LEU  18           HG       LEU  18  -0.477  -3.416  -2.923
  101   HD11  LEU  18          1HD1      LEU  18   0.582  -5.363  -3.108
  102   HD12  LEU  18          2HD1      LEU  18   1.905  -4.644  -4.026
  103   HD13  LEU  18          3HD1      LEU  18   0.439  -5.168  -4.855
  104   HD21  LEU  18          1HD2      LEU  18   2.216  -2.588  -3.887
  105   HD22  LEU  18          2HD2      LEU  18   1.467  -2.375  -2.304
  106   HD23  LEU  18          3HD2      LEU  18   0.978  -1.353  -3.657
  107    H    SER  19           H        SER  19  -1.231   0.594  -5.961
  108    HA   SER  19           HA       SER  19  -2.598  -0.286  -8.418
  109    HB2  SER  19           1HB      SER  19  -2.984   2.251  -6.836
  110    HB3  SER  19           2HB      SER  19  -3.441   2.136  -8.535
  111    HG   SER  19           HG       SER  19  -5.181   1.635  -7.126
  112    H    LEU  20           H        LEU  20   0.293   0.186  -7.496
  113    HA   LEU  20           HA       LEU  20   1.089   1.633  -9.908
  114    HB2  LEU  20           1HB      LEU  20   2.162   2.221  -7.153
  115    HB3  LEU  20           2HB      LEU  20   2.818   2.866  -8.656
  116    HG   LEU  20           HG       LEU  20  -0.019   3.391  -7.819
  117   HD11  LEU  20          1HD1      LEU  20   2.412   5.035  -7.130
  118   HD12  LEU  20          2HD1      LEU  20   1.423   4.122  -5.991
  119   HD13  LEU  20          3HD1      LEU  20   0.732   5.497  -6.851
  120   HD21  LEU  20          1HD2      LEU  20   1.546   5.374  -9.308
  121   HD22  LEU  20          2HD2      LEU  20  -0.097   4.789  -9.573
  122   HD23  LEU  20          3HD2      LEU  20   1.278   3.854 -10.163
  123    H    PHE  21           H        PHE  21   3.507   1.396 -10.276
  124    HA   PHE  21           HA       PHE  21   4.805  -0.849  -9.035
  125    HB2  PHE  21           1HB      PHE  21   3.557  -2.227 -10.458
  126    HB3  PHE  21           2HB      PHE  21   3.617  -1.071 -11.785
  127    HD1  PHE  21           2HD      PHE  21   5.678  -0.824 -13.115
  128    HD2  PHE  21           1HD      PHE  21   5.271  -3.836 -10.135
  129    HE1  PHE  21           2HE      PHE  21   7.592  -2.033 -14.080
  130    HE2  PHE  21           1HE      PHE  21   7.184  -5.049 -11.095
  131    HZ   PHE  21           HZ       PHE  21   8.347  -4.149 -13.070
  132    H    CYS  22           H        CYS  22   6.836  -0.206  -8.854
  133    HA   CYS  22           HA       CYS  22   7.936   1.943 -10.322
  134    HB2  CYS  22           1HB      CYS  22   8.601   1.089  -7.993
  135    HB3  CYS  22           2HB      CYS  22   9.561  -0.118  -8.842
  136    H    TYR  23           H        TYR  23   9.705   1.934 -11.799
  137    HA   TYR  23           HA       TYR  23   9.650  -0.387 -13.579
  138    HB2  TYR  23           1HB      TYR  23   9.333   2.158 -14.242
  139    HB3  TYR  23           2HB      TYR  23  11.092   2.132 -14.280
  140    HD1  TYR  23           1HD      TYR  23   8.068   0.520 -15.703
  141    HD2  TYR  23           2HD      TYR  23  12.245   1.218 -16.118
  142    HE1  TYR  23           1HE      TYR  23   7.998  -0.440 -17.966
  143    HE2  TYR  23           2HE      TYR  23  12.186   0.260 -18.382
  144    HH   TYR  23           HH       TYR  23  10.640  -1.444 -19.619
  145    H    GLU  24           H        GLU  24  11.790   1.452 -11.528
  146    HA   GLU  24           HA       GLU  24  14.170   0.115 -12.490
  147    HB2  GLU  24           1HB      GLU  24  13.569   2.268 -10.528
  148    HB3  GLU  24           2HB      GLU  24  15.044   1.343 -10.284
  149    HG2  GLU  24           1HG      GLU  24  15.775   3.111 -11.559
  150    HG3  GLU  24           2HG      GLU  24  15.500   1.863 -12.773
  151    H    ASP  25           H        ASP  25  12.539   0.328  -9.323
  152    HA   ASP  25           HA       ASP  25  13.984  -1.828  -8.189
  153    HB2  ASP  25           1HB      ASP  25  11.421  -0.445  -7.400
  154    HB3  ASP  25           2HB      ASP  25  12.115  -1.761  -6.456
  155    H    GLN  26           H        GLN  26  11.593  -1.800 -10.517
  156    HA   GLN  26           HA       GLN  26  10.104  -3.339 -11.328
  157    HB2  GLN  26           1HB      GLN  26  12.400  -5.107 -10.475
  158    HB3  GLN  26           2HB      GLN  26  11.081  -5.635 -11.512
  159    HG2  GLN  26           1HG      GLN  26  12.825  -3.292 -12.199
  160    HG3  GLN  26           2HG      GLN  26  13.238  -4.947 -12.645
  161   HE21  GLN  26          1HE2      GLN  26  10.865  -2.394 -13.035
  162   HE22  GLN  26          2HE2      GLN  26  10.220  -2.964 -14.533
  163    H    GLU  27           H        GLU  27   9.630  -2.629  -8.592
  164    HA   GLU  27           HA       GLU  27   8.366  -5.120  -7.663
  165    HB2  GLU  27           1HB      GLU  27   8.835  -4.594  -5.395
  166    HB3  GLU  27           2HB      GLU  27  10.346  -4.398  -6.272
  167    HG2  GLU  27           1HG      GLU  27   9.630  -1.908  -6.427
  168    HG3  GLU  27           2HG      GLU  27   8.566  -2.321  -5.083
  169    H    ALA  28           H        ALA  28   6.277  -4.981  -6.968
  170    HA   ALA  28           HA       ALA  28   4.735  -2.763  -7.844
  171    HB1  ALA  28           1HB      ALA  28   2.828  -3.963  -6.971
  172    HB2  ALA  28           2HB      ALA  28   3.897  -5.083  -7.818
  173    HB3  ALA  28           3HB      ALA  28   3.886  -5.037  -6.055
  174    H    VAL  29           H        VAL  29   4.366  -0.910  -6.832
  175    HA   VAL  29           HA       VAL  29   4.630  -0.831  -3.896
  176    HB   VAL  29           HB       VAL  29   5.329   1.495  -4.079
  177   HG11  VAL  29          1HG1      VAL  29   7.041  -0.059  -5.993
  178   HG12  VAL  29          2HG1      VAL  29   7.533   1.116  -4.772
  179   HG13  VAL  29          3HG1      VAL  29   6.950  -0.475  -4.281
  180   HG21  VAL  29          1HG2      VAL  29   5.766   2.545  -6.216
  181   HG22  VAL  29          2HG2      VAL  29   5.248   1.090  -7.068
  182   HG23  VAL  29          3HG2      VAL  29   4.081   2.030  -6.139
  183    H    CYS  30           H        CYS  30   3.489   1.268  -3.040
  184    HA   CYS  30           HA       CYS  30   0.783   1.303  -4.204
  185    HB2  CYS  30           1HB      CYS  30  -0.063   1.771  -1.969
  186    HB3  CYS  30           2HB      CYS  30   0.909   0.303  -1.949
  187    H    LEU  31           H        LEU  31  -0.426   3.388  -3.362
  188    HA   LEU  31           HA       LEU  31   0.639   5.573  -4.708
  189    HB2  LEU  31           1HB      LEU  31  -1.214   6.745  -4.030
  190    HB3  LEU  31           2HB      LEU  31  -1.766   5.080  -3.858
  191    HG   LEU  31           HG       LEU  31  -0.913   5.460  -1.369
  192   HD11  LEU  31          1HD1      LEU  31  -0.094   7.720  -1.773
  193   HD12  LEU  31          2HD1      LEU  31  -1.427   7.725  -0.618
  194   HD13  LEU  31          3HD1      LEU  31  -1.705   8.221  -2.288
  195   HD21  LEU  31          1HD2      LEU  31  -3.446   5.700  -2.757
  196   HD22  LEU  31          2HD2      LEU  31  -3.411   6.653  -1.273
  197   HD23  LEU  31          3HD2      LEU  31  -3.069   4.923  -1.219
  198    H    ILE  32           H        ILE  32   0.829   4.705  -1.294
  199    HA   ILE  32           HA       ILE  32   1.993   7.100  -0.373
  200    HB   ILE  32           HB       ILE  32   2.263   4.307   0.744
  201   HG12  ILE  32          1HG1      ILE  32   0.484   6.489   1.798
  202   HG13  ILE  32          2HG1      ILE  32  -0.060   5.438   0.495
  203   HG21  ILE  32          1HG2      ILE  32   2.614   5.765   2.892
  204   HG22  ILE  32          2HG2      ILE  32   3.965   5.412   1.815
  205   HG23  ILE  32          3HG2      ILE  32   3.153   6.975   1.727
  206   HD11  ILE  32          1HD1      ILE  32   0.875   3.651   2.339
  207   HD12  ILE  32          2HD1      ILE  32   0.173   4.918   3.346
  208   HD13  ILE  32          3HD1      ILE  32  -0.810   4.120   2.119
  209    H    CYS  33           H        CYS  33   3.553   3.954  -1.021
  210    HA   CYS  33           HA       CYS  33   6.159   4.525  -0.637
  211    HB2  CYS  33           1HB      CYS  33   4.795   2.863  -2.722
  212    HB3  CYS  33           2HB      CYS  33   6.543   3.061  -2.786
  213    H    ALA  34           H        ALA  34   4.232   5.529  -3.413
  214    HA   ALA  34           HA       ALA  34   6.372   6.626  -4.914
  215    HB1  ALA  34           1HB      ALA  34   4.353   6.081  -6.050
  216    HB2  ALA  34           2HB      ALA  34   3.404   7.127  -4.993
  217    HB3  ALA  34           3HB      ALA  34   4.547   7.832  -6.137
  218    H    ILE  35           H        ILE  35   3.695   8.510  -3.526
  219    HA   ILE  35           HA       ILE  35   4.824  10.977  -3.540
  220    HB   ILE  35           HB       ILE  35   3.421  11.570  -1.599
  221   HG12  ILE  35          1HG1      ILE  35   2.754   8.620  -1.502
  222   HG13  ILE  35          2HG1      ILE  35   3.790   9.447  -0.344
  223   HG21  ILE  35          1HG2      ILE  35   1.962  11.767  -3.274
  224   HG22  ILE  35          2HG2      ILE  35   2.506  10.271  -4.032
  225   HG23  ILE  35          3HG2      ILE  35   1.307  10.220  -2.739
  226   HD11  ILE  35          1HD1      ILE  35   1.486  10.961  -0.354
  227   HD12  ILE  35          2HD1      ILE  35   0.906   9.300  -0.481
  228   HD13  ILE  35          3HD1      ILE  35   1.956   9.769   0.856
  229    H    SER  36           H        SER  36   5.613   8.346  -1.412
  230    HA   SER  36           HA       SER  36   6.958   9.847   0.583
  231    HB2  SER  36           1HB      SER  36   7.584   7.801   1.498
  232    HB3  SER  36           2HB      SER  36   6.133   7.361   0.598
  233    HG   SER  36           HG       SER  36   8.832   7.007  -0.199
  234    H    HIS  37           H        HIS  37   9.282   9.823   0.994
  235    HA   HIS  37           HA       HIS  37  10.746  10.539  -1.381
  236    HB2  HIS  37           1HB      HIS  37  11.810  10.341   1.439
  237    HB3  HIS  37           2HB      HIS  37  12.477  11.278   0.105
  238    HD1  HIS  37           1HD      HIS  37  11.465  12.352   2.969
  239    HD2  HIS  37           2HD      HIS  37   9.507  12.693  -0.679
  240    HE1  HIS  37           1HE      HIS  37   9.923  14.323   3.216
  241    H    THR  38           H        THR  38  10.099   7.949  -1.697
  242    HA   THR  38           HA       THR  38  12.658   6.551  -1.265
  243    HB   THR  38           HB       THR  38   9.962   5.193  -1.380
  244    HG1  THR  38           1HG      THR  38   9.851   5.385   0.744
  245   HG21  THR  38          1HG2      THR  38  11.895   3.660  -0.026
  246   HG22  THR  38          2HG2      THR  38  12.675   4.265  -1.487
  247   HG23  THR  38          3HG2      THR  38  11.178   3.341  -1.605
  248    H    HIS  39           H        HIS  39   9.732   6.674  -3.286
  249    HA   HIS  39           HA       HIS  39  11.412   5.951  -5.594
  250    HB2  HIS  39           1HB      HIS  39   8.543   5.108  -5.138
  251    HB3  HIS  39           2HB      HIS  39   9.526   4.717  -6.546
  252    HD2  HIS  39           2HD      HIS  39   9.236   3.697  -2.772
  253    HE1  HIS  39           1HE      HIS  39  11.702   0.885  -4.774
  254    HE2  HIS  39           2HE      HIS  39  10.457   1.420  -2.651
  255    H    ARG  40           H        ARG  40  11.377   8.480  -5.324
  256    HA   ARG  40           HA       ARG  40   9.026   9.646  -6.613
  257    HB2  ARG  40           1HB      ARG  40  10.016  10.721  -4.587
  258    HB3  ARG  40           2HB      ARG  40  11.474  11.037  -5.517
  259    HG2  ARG  40           1HG      ARG  40  10.421  13.039  -5.748
  260    HG3  ARG  40           2HG      ARG  40   9.769  12.197  -7.156
  261    HD2  ARG  40           1HD      ARG  40   7.715  11.793  -6.103
  262    HD3  ARG  40           2HD      ARG  40   8.371  12.133  -4.502
  263    HE   ARG  40           HE       ARG  40   8.463  14.394  -6.263
  264   HH11  ARG  40          2HH1      ARG  40   6.470  12.588  -4.053
  265   HH12  ARG  40          1HH1      ARG  40   5.441  13.931  -3.678
  266   HH21  ARG  40          2HH2      ARG  40   7.116  16.170  -5.778
  267   HH22  ARG  40          1HH2      ARG  40   5.809  15.968  -4.660
  268    H    ALA  41           H        ALA  41  12.564   9.595  -7.023
  269    HA   ALA  41           HA       ALA  41  12.562  10.875  -9.544
  270    HB1  ALA  41           1HB      ALA  41  14.795  10.752  -9.391
  271    HB2  ALA  41           2HB      ALA  41  14.486  10.184  -7.749
  272    HB3  ALA  41           3HB      ALA  41  14.776   9.023  -9.044
  273    H    HIS  42           H        HIS  42  12.551   7.470  -8.584
  274    HA   HIS  42           HA       HIS  42  12.990   6.222 -10.988
  275    HB2  HIS  42           1HB      HIS  42  11.039   5.442  -8.813
  276    HB3  HIS  42           2HB      HIS  42  11.544   4.379 -10.123
  277    HD2  HIS  42           2HD      HIS  42  14.800   5.603  -9.620
  278    HE1  HIS  42           1HE      HIS  42  14.330   3.167  -6.179
  279    HE2  HIS  42           2HE      HIS  42  15.956   4.442  -7.619
  280    H    THR  43           H        THR  43  11.149   4.910 -12.155
  281    HA   THR  43           HA       THR  43   9.131   6.882 -13.003
  282    HB   THR  43           HB       THR  43  10.216   4.571 -14.622
  283    HG1  THR  43           1HG      THR  43  11.071   7.210 -14.289
  284   HG21  THR  43          1HG2      THR  43   8.877   5.243 -16.344
  285   HG22  THR  43          2HG2      THR  43   8.876   6.931 -15.830
  286   HG23  THR  43          3HG2      THR  43   7.860   5.754 -14.998
  287    H    VAL  44           H        VAL  44   7.801   6.084 -11.205
  288    HA   VAL  44           HA       VAL  44   6.830   3.391 -11.235
  289    HB   VAL  44           HB       VAL  44   5.751   5.831  -9.817
  290   HG11  VAL  44          1HG1      VAL  44   3.953   4.570  -9.431
  291   HG12  VAL  44          2HG1      VAL  44   4.729   3.125 -10.084
  292   HG13  VAL  44          3HG1      VAL  44   4.992   3.586  -8.401
  293   HG21  VAL  44          1HG2      VAL  44   7.729   3.711  -9.067
  294   HG22  VAL  44          2HG2      VAL  44   7.860   5.463  -8.907
  295   HG23  VAL  44          3HG2      VAL  44   6.797   4.556  -7.831
  296    H    VAL  45           H        VAL  45   5.165   2.555 -12.323
  297    HA   VAL  45           HA       VAL  45   3.426   4.405 -13.820
  298    HB   VAL  45           HB       VAL  45   3.144   2.730 -15.509
  299   HG11  VAL  45          1HG1      VAL  45   5.393   4.104 -15.201
  300   HG12  VAL  45          2HG1      VAL  45   6.069   2.479 -15.074
  301   HG13  VAL  45          3HG1      VAL  45   5.174   2.953 -16.518
  302   HG21  VAL  45          1HG2      VAL  45   4.130   0.959 -13.420
  303   HG22  VAL  45          2HG2      VAL  45   3.128   0.601 -14.827
  304   HG23  VAL  45          3HG2      VAL  45   4.884   0.661 -14.986
  305    HA   PRO  46           HA       PRO  46  -0.023   2.884 -11.546
  306    HB2  PRO  46           1HB      PRO  46  -1.997   3.463 -13.318
  307    HB3  PRO  46           2HB      PRO  46  -1.170   4.700 -12.363
  308    HG2  PRO  46           1HG      PRO  46  -0.709   3.878 -15.204
  309    HG3  PRO  46           2HG      PRO  46  -0.769   5.507 -14.506
  310    HD2  PRO  46           1HD      PRO  46   1.561   4.249 -15.071
  311    HD3  PRO  46           2HD      PRO  46   1.394   5.384 -13.717
  312    H    LEU  47           H        LEU  47  -0.741   0.874 -11.255
  313    HA   LEU  47           HA       LEU  47  -0.652  -1.017 -13.463
  314    HB2  LEU  47           1HB      LEU  47  -0.868  -1.222 -10.496
  315    HB3  LEU  47           2HB      LEU  47  -1.398  -2.577 -11.489
  316    HG   LEU  47           HG       LEU  47   1.375  -1.388 -11.548
  317   HD11  LEU  47          1HD1      LEU  47   1.469  -3.990 -10.564
  318   HD12  LEU  47          2HD1      LEU  47   0.136  -3.224  -9.701
  319   HD13  LEU  47          3HD1      LEU  47   1.743  -2.500  -9.662
  320   HD21  LEU  47          1HD2      LEU  47   0.988  -4.107 -12.501
  321   HD22  LEU  47          2HD2      LEU  47   1.826  -2.750 -13.255
  322   HD23  LEU  47          3HD2      LEU  47   0.080  -2.921 -13.438
  323    H    SER  48           H        SER  48  -2.460  -0.089 -14.616
  324    HA   SER  48           HA       SER  48  -4.699   0.303 -15.047
  325    HB2  SER  48           1HB      SER  48  -4.296  -2.587 -14.413
  326    HB3  SER  48           2HB      SER  48  -5.942  -2.017 -14.690
  327    HG   SER  48           HG       SER  48  -5.506  -1.727 -16.741
  328    H    GLY  49           H        GLY  49  -4.129   1.297 -12.513
  329    HA2  GLY  49           1HA      GLY  49  -6.351   0.373 -10.825
  330    HA3  GLY  49           2HA      GLY  49  -5.000   1.360 -10.288
  331    HA   PRO  50           HA       PRO  50  -8.849   3.941 -11.293
  332    HB2  PRO  50           1HB      PRO  50  -9.480   4.647  -8.748
  333    HB3  PRO  50           2HB      PRO  50 -10.134   3.206  -9.536
  334    HG2  PRO  50           1HG      PRO  50  -7.860   3.441  -7.603
  335    HG3  PRO  50           2HG      PRO  50  -9.160   2.236  -7.660
  336    HD2  PRO  50           1HD      PRO  50  -6.671   1.742  -8.606
  337    HD3  PRO  50           2HD      PRO  50  -8.126   1.016  -9.320
  338    H    SER  51           H        SER  51  -5.819   4.204  -9.865
  339    HA   SER  51           HA       SER  51  -5.464   6.590  -8.728
  340    HB2  SER  51           1HB      SER  51  -3.796   5.601 -11.054
  341    HB3  SER  51           2HB      SER  51  -3.285   6.783  -9.849
  342    HG   SER  51           HG       SER  51  -2.866   4.292  -9.665
  343    H    SER  52           H        SER  52  -5.356   8.752  -9.259
  344    HA   SER  52           HA       SER  52  -5.891   9.605 -11.981
  345    HB2  SER  52           1HB      SER  52  -8.146   9.215 -11.039
  346    HB3  SER  52           2HB      SER  52  -7.778  10.336  -9.728
  347    HG   SER  52           HG       SER  52  -8.384  11.860 -11.023
  348    H    GLY  53           H        GLY  53  -5.960  12.070 -12.085
  349    HA2  GLY  53           1HA      GLY  53  -5.211  13.887 -10.258
  350    HA3  GLY  53           2HA      GLY  53  -3.695  13.052 -10.560
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -10.733 -17.750  -2.985
    2    HA2  GLY   1           1HA      GLY   1  -8.322 -18.988  -3.349
    3    HA3  GLY   1           2HA      GLY   1  -9.498 -20.187  -3.866
    4    H    SER   2           H        SER   2  -8.582 -16.790  -4.367
    5    HA   SER   2           HA       SER   2  -9.996 -16.494  -6.800
    6    HB2  SER   2           1HB      SER   2  -8.879 -14.401  -7.024
    7    HB3  SER   2           2HB      SER   2  -9.132 -14.635  -5.294
    8    HG   SER   2           HG       SER   2  -7.030 -14.922  -5.004
    9    H    SER   3           H        SER   3  -8.723 -15.810  -8.852
   10    HA   SER   3           HA       SER   3  -7.326 -18.119  -9.762
   11    HB2  SER   3           1HB      SER   3  -8.769 -16.797 -11.254
   12    HB3  SER   3           2HB      SER   3  -7.676 -15.422 -11.096
   13    HG   SER   3           HG       SER   3  -6.146 -16.494 -12.235
   14    H    GLY   4           H        GLY   4  -5.538 -18.190  -8.284
   15    HA2  GLY   4           1HA      GLY   4  -3.199 -18.062  -8.200
   16    HA3  GLY   4           2HA      GLY   4  -3.258 -16.689  -9.296
   17    H    SER   5           H        SER   5  -2.940 -14.724  -8.472
   18    HA   SER   5           HA       SER   5  -3.227 -14.387  -5.558
   19    HB2  SER   5           1HB      SER   5  -0.981 -13.632  -7.383
   20    HB3  SER   5           2HB      SER   5  -1.324 -12.604  -5.991
   21    HG   SER   5           HG       SER   5   0.190 -14.247  -5.494
   22    H    SER   6           H        SER   6  -5.399 -13.799  -6.904
   23    HA   SER   6           HA       SER   6  -5.333 -10.881  -7.314
   24    HB2  SER   6           1HB      SER   6  -7.077 -13.002  -8.569
   25    HB3  SER   6           2HB      SER   6  -7.469 -11.284  -8.645
   26    HG   SER   6           HG       SER   6  -4.889 -11.775  -9.343
   27    H    GLY   7           H        GLY   7  -7.546  -9.853  -6.879
   28    HA2  GLY   7           1HA      GLY   7  -9.641 -10.180  -5.575
   29    HA3  GLY   7           2HA      GLY   7  -8.644 -11.017  -4.394
   30    H    GLU   8           H        GLU   8  -7.069  -9.777  -3.201
   31    HA   GLU   8           HA       GLU   8  -7.541  -6.880  -3.205
   32    HB2  GLU   8           1HB      GLU   8  -7.974  -8.797  -0.971
   33    HB3  GLU   8           2HB      GLU   8  -7.266  -7.238  -0.574
   34    HG2  GLU   8           1HG      GLU   8  -9.623  -7.091  -0.276
   35    HG3  GLU   8           2HG      GLU   8  -9.185  -6.139  -1.693
   36    H    SER   9           H        SER   9  -5.605  -6.139  -3.819
   37    HA   SER   9           HA       SER   9  -3.183  -7.352  -2.703
   38    HB2  SER   9           1HB      SER   9  -3.537  -5.374  -4.968
   39    HB3  SER   9           2HB      SER   9  -1.991  -6.037  -4.438
   40    HG   SER   9           HG       SER   9  -2.777  -8.109  -4.991
   41    H    LEU  10           H        LEU  10  -1.802  -6.283  -1.383
   42    HA   LEU  10           HA       LEU  10  -2.157  -3.431  -0.910
   43    HB2  LEU  10           1HB      LEU  10  -2.366  -5.500   1.271
   44    HB3  LEU  10           2HB      LEU  10  -2.232  -3.763   1.538
   45    HG   LEU  10           HG       LEU  10  -4.496  -4.844  -0.090
   46   HD11  LEU  10          1HD1      LEU  10  -5.690  -4.682   2.267
   47   HD12  LEU  10          2HD1      LEU  10  -4.086  -5.149   2.833
   48   HD13  LEU  10          3HD1      LEU  10  -4.954  -6.179   1.694
   49   HD21  LEU  10          1HD2      LEU  10  -4.517  -2.543  -0.153
   50   HD22  LEU  10          2HD2      LEU  10  -3.873  -2.383   1.481
   51   HD23  LEU  10          3HD2      LEU  10  -5.554  -2.860   1.238
   52    H    CYS  11           H        CYS  11  -0.347  -2.411  -0.030
   53    HA   CYS  11           HA       CYS  11   2.146  -3.505  -0.675
   54    HB2  CYS  11           1HB      CYS  11   1.397  -1.027  -0.258
   55    HB3  CYS  11           2HB      CYS  11   1.894  -1.356   1.398
   56    HA   PRO  12           HA       PRO  12   2.934  -6.148   2.777
   57    HB2  PRO  12           1HB      PRO  12   5.594  -6.497   2.359
   58    HB3  PRO  12           2HB      PRO  12   4.356  -7.285   1.374
   59    HG2  PRO  12           1HG      PRO  12   5.958  -4.824   0.791
   60    HG3  PRO  12           2HG      PRO  12   5.546  -6.172  -0.285
   61    HD2  PRO  12           1HD      PRO  12   4.221  -3.811  -0.334
   62    HD3  PRO  12           2HD      PRO  12   3.430  -5.358  -0.701
   63    H    GLN  13           H        GLN  13   3.911  -2.975   2.480
   64    HA   GLN  13           HA       GLN  13   5.114  -3.013   5.167
   65    HB2  GLN  13           1HB      GLN  13   6.874  -2.494   3.616
   66    HB3  GLN  13           2HB      GLN  13   5.872  -1.303   2.797
   67    HG2  GLN  13           1HG      GLN  13   7.189   0.056   4.065
   68    HG3  GLN  13           2HG      GLN  13   5.822  -0.172   5.154
   69   HE21  GLN  13          1HE2      GLN  13   9.046  -1.376   4.384
   70   HE22  GLN  13          2HE2      GLN  13   9.443  -1.868   5.992
   71    H    HIS  14           H        HIS  14   3.132  -1.284   2.830
   72    HA   HIS  14           HA       HIS  14   2.236   0.553   4.935
   73    HB2  HIS  14           1HB      HIS  14   1.890   0.636   1.933
   74    HB3  HIS  14           2HB      HIS  14   1.169   1.800   3.040
   75    HD2  HIS  14           2HD      HIS  14   3.186   3.331   4.519
   76    HE1  HIS  14           1HE      HIS  14   6.093   2.750   1.484
   77    HE2  HIS  14           2HE      HIS  14   5.503   4.005   3.587
   78    H    HIS  15           H        HIS  15   1.231  -2.126   3.005
   79    HA   HIS  15           HA       HIS  15  -0.666  -3.381   2.970
   80    HB2  HIS  15           1HB      HIS  15  -1.769  -1.961   5.356
   81    HB3  HIS  15           2HB      HIS  15  -1.799  -3.677   4.962
   82    HD1  HIS  15           1HD      HIS  15  -0.533  -1.770   7.488
   83    HD2  HIS  15           2HD      HIS  15   1.306  -4.414   4.863
   84    HE1  HIS  15           1HE      HIS  15   1.597  -2.474   8.625
   85    H    GLU  16           H        GLU  16  -0.655  -1.126   1.362
   86    HA   GLU  16           HA       GLU  16  -3.479  -0.294   1.473
   87    HB2  GLU  16           1HB      GLU  16  -1.011   1.285   0.864
   88    HB3  GLU  16           2HB      GLU  16  -2.530   1.733   0.100
   89    HG2  GLU  16           1HG      GLU  16  -3.398   1.586   2.598
   90    HG3  GLU  16           2HG      GLU  16  -1.701   1.922   2.937
   91    H    ALA  17           H        ALA  17  -4.587  -0.116  -0.499
   92    HA   ALA  17           HA       ALA  17  -4.377  -2.052  -2.347
   93    HB1  ALA  17           1HB      ALA  17  -6.205  -0.390  -2.233
   94    HB2  ALA  17           2HB      ALA  17  -5.158   0.776  -3.042
   95    HB3  ALA  17           3HB      ALA  17  -5.651  -0.696  -3.879
   96    H    LEU  18           H        LEU  18  -2.883  -2.710  -3.735
   97    HA   LEU  18           HA       LEU  18  -0.694  -0.938  -4.453
   98    HB2  LEU  18           1HB      LEU  18  -1.189  -3.872  -4.904
   99    HB3  LEU  18           2HB      LEU  18   0.217  -3.020  -5.538
  100    HG   LEU  18           HG       LEU  18  -0.442  -3.223  -2.603
  101   HD11  LEU  18          1HD1      LEU  18   1.159  -4.995  -4.403
  102   HD12  LEU  18          2HD1      LEU  18   0.007  -5.429  -3.140
  103   HD13  LEU  18          3HD1      LEU  18   1.599  -4.808  -2.705
  104   HD21  LEU  18          1HD2      LEU  18   2.290  -2.729  -3.617
  105   HD22  LEU  18          2HD2      LEU  18   1.471  -2.086  -2.193
  106   HD23  LEU  18          3HD2      LEU  18   1.131  -1.409  -3.786
  107    H    SER  19           H        SER  19  -1.480   0.487  -5.957
  108    HA   SER  19           HA       SER  19  -2.406  -0.695  -8.494
  109    HB2  SER  19           1HB      SER  19  -4.015   0.799  -7.037
  110    HB3  SER  19           2HB      SER  19  -3.096   2.123  -7.752
  111    HG   SER  19           HG       SER  19  -4.909   1.603  -9.022
  112    H    LEU  20           H        LEU  20   0.327  -0.077  -7.591
  113    HA   LEU  20           HA       LEU  20   1.091   1.575  -9.873
  114    HB2  LEU  20           1HB      LEU  20   2.039   2.059  -7.053
  115    HB3  LEU  20           2HB      LEU  20   2.740   2.802  -8.489
  116    HG   LEU  20           HG       LEU  20  -0.154   3.179  -7.783
  117   HD11  LEU  20          1HD1      LEU  20   0.496   5.284  -6.690
  118   HD12  LEU  20          2HD1      LEU  20   2.191   4.816  -6.829
  119   HD13  LEU  20          3HD1      LEU  20   1.093   3.866  -5.828
  120   HD21  LEU  20          1HD2      LEU  20   1.718   5.019  -9.245
  121   HD22  LEU  20          2HD2      LEU  20  -0.045   5.034  -9.224
  122   HD23  LEU  20          3HD2      LEU  20   0.816   3.744 -10.064
  123    H    PHE  21           H        PHE  21   3.306   1.290 -10.525
  124    HA   PHE  21           HA       PHE  21   4.739  -0.943  -9.303
  125    HB2  PHE  21           1HB      PHE  21   3.460  -2.064 -10.997
  126    HB3  PHE  21           2HB      PHE  21   3.872  -0.842 -12.195
  127    HD1  PHE  21           2HD      PHE  21   6.094  -0.781 -13.196
  128    HD2  PHE  21           1HD      PHE  21   4.989  -3.816 -10.425
  129    HE1  PHE  21           2HE      PHE  21   8.031  -2.125 -13.902
  130    HE2  PHE  21           1HE      PHE  21   6.925  -5.165 -11.125
  131    HZ   PHE  21           HZ       PHE  21   8.448  -4.320 -12.866
  132    H    CYS  22           H        CYS  22   6.835  -0.503  -9.129
  133    HA   CYS  22           HA       CYS  22   7.904   1.803 -10.573
  134    HB2  CYS  22           1HB      CYS  22   8.095   1.289  -7.984
  135    HB3  CYS  22           2HB      CYS  22   9.475   0.328  -8.504
  136    H    TYR  23           H        TYR  23   9.571   1.697 -11.997
  137    HA   TYR  23           HA       TYR  23  10.204  -0.912 -13.075
  138    HB2  TYR  23           1HB      TYR  23  10.553   1.909 -13.948
  139    HB3  TYR  23           2HB      TYR  23  11.691   0.727 -14.584
  140    HD1  TYR  23           1HD      TYR  23   8.015   1.216 -14.126
  141    HD2  TYR  23           2HD      TYR  23  11.134  -0.417 -16.516
  142    HE1  TYR  23           1HE      TYR  23   6.360   0.543 -15.816
  143    HE2  TYR  23           2HE      TYR  23   9.487  -1.093 -18.213
  144    HH   TYR  23           HH       TYR  23   7.325  -1.249 -18.722
  145    H    GLU  24           H        GLU  24  12.108   1.867 -11.898
  146    HA   GLU  24           HA       GLU  24  14.627   0.836 -11.989
  147    HB2  GLU  24           1HB      GLU  24  14.051   3.124 -11.226
  148    HB3  GLU  24           2HB      GLU  24  13.503   2.454  -9.696
  149    HG2  GLU  24           1HG      GLU  24  15.651   1.911  -9.015
  150    HG3  GLU  24           2HG      GLU  24  16.289   1.961 -10.657
  151    H    ASP  25           H        ASP  25  12.203   0.256  -9.478
  152    HA   ASP  25           HA       ASP  25  13.990  -1.597  -8.109
  153    HB2  ASP  25           1HB      ASP  25  11.141  -1.029  -7.326
  154    HB3  ASP  25           2HB      ASP  25  12.479  -1.552  -6.307
  155    H    GLN  26           H        GLN  26  11.324  -1.604 -10.301
  156    HA   GLN  26           HA       GLN  26  10.245  -3.272 -11.408
  157    HB2  GLN  26           1HB      GLN  26  12.747  -4.592 -10.492
  158    HB3  GLN  26           2HB      GLN  26  11.449  -5.634 -11.060
  159    HG2  GLN  26           1HG      GLN  26  12.709  -3.384 -12.613
  160    HG3  GLN  26           2HG      GLN  26  13.024  -5.104 -12.838
  161   HE21  GLN  26          1HE2      GLN  26  11.254  -2.509 -13.890
  162   HE22  GLN  26          2HE2      GLN  26  10.008  -3.350 -14.741
  163    H    GLU  27           H        GLU  27   9.531  -2.599  -8.676
  164    HA   GLU  27           HA       GLU  27   8.195  -5.117  -7.948
  165    HB2  GLU  27           1HB      GLU  27   9.202  -3.079  -5.959
  166    HB3  GLU  27           2HB      GLU  27   8.463  -4.634  -5.601
  167    HG2  GLU  27           1HG      GLU  27  10.346  -5.820  -6.195
  168    HG3  GLU  27           2HG      GLU  27  10.967  -4.525  -7.217
  169    H    ALA  28           H        ALA  28   6.159  -4.859  -6.839
  170    HA   ALA  28           HA       ALA  28   4.622  -2.684  -7.922
  171    HB1  ALA  28           1HB      ALA  28   3.982  -5.216  -7.449
  172    HB2  ALA  28           2HB      ALA  28   3.433  -4.523  -5.922
  173    HB3  ALA  28           3HB      ALA  28   2.778  -3.927  -7.448
  174    H    VAL  29           H        VAL  29   4.502  -0.755  -6.997
  175    HA   VAL  29           HA       VAL  29   4.808  -0.554  -4.078
  176    HB   VAL  29           HB       VAL  29   5.374   1.804  -4.434
  177   HG11  VAL  29          1HG1      VAL  29   7.043  -0.177  -4.623
  178   HG12  VAL  29          2HG1      VAL  29   7.110   0.274  -6.328
  179   HG13  VAL  29          3HG1      VAL  29   7.563   1.443  -5.087
  180   HG21  VAL  29          1HG2      VAL  29   4.745   1.117  -7.274
  181   HG22  VAL  29          2HG2      VAL  29   4.256   2.522  -6.327
  182   HG23  VAL  29          3HG2      VAL  29   5.914   2.387  -6.912
  183    H    CYS  30           H        CYS  30   3.588   1.329  -3.093
  184    HA   CYS  30           HA       CYS  30   0.847   1.347  -4.168
  185    HB2  CYS  30           1HB      CYS  30   0.073   1.698  -1.892
  186    HB3  CYS  30           2HB      CYS  30   1.113   0.279  -1.949
  187    H    LEU  31           H        LEU  31  -0.418   3.349  -3.373
  188    HA   LEU  31           HA       LEU  31   0.582   5.612  -4.615
  189    HB2  LEU  31           1HB      LEU  31  -1.306   6.723  -3.878
  190    HB3  LEU  31           2HB      LEU  31  -1.810   5.034  -3.862
  191    HG   LEU  31           HG       LEU  31  -1.032   5.238  -1.323
  192   HD11  LEU  31          1HD1      LEU  31  -1.035   7.948  -2.268
  193   HD12  LEU  31          2HD1      LEU  31  -0.585   7.313  -0.685
  194   HD13  LEU  31          3HD1      LEU  31  -2.264   7.733  -1.021
  195   HD21  LEU  31          1HD2      LEU  31  -3.662   6.452  -1.658
  196   HD22  LEU  31          2HD2      LEU  31  -3.206   4.917  -0.919
  197   HD23  LEU  31          3HD2      LEU  31  -3.414   5.028  -2.668
  198    H    ILE  32           H        ILE  32   0.857   4.591  -1.265
  199    HA   ILE  32           HA       ILE  32   1.889   7.021  -0.243
  200    HB   ILE  32           HB       ILE  32   2.276   4.209   0.792
  201   HG12  ILE  32          1HG1      ILE  32   0.312   6.315   1.711
  202   HG13  ILE  32          2HG1      ILE  32  -0.099   5.039   0.570
  203   HG21  ILE  32          1HG2      ILE  32   3.839   6.153   1.548
  204   HG22  ILE  32          2HG2      ILE  32   2.433   6.666   2.479
  205   HG23  ILE  32          3HG2      ILE  32   3.135   5.071   2.749
  206   HD11  ILE  32          1HD1      ILE  32  -0.747   4.628   2.956
  207   HD12  ILE  32          2HD1      ILE  32   0.220   3.360   2.202
  208   HD13  ILE  32          3HD1      ILE  32   0.973   4.495   3.321
  209    H    CYS  33           H        CYS  33   3.461   4.045  -1.381
  210    HA   CYS  33           HA       CYS  33   6.101   4.750  -0.850
  211    HB2  CYS  33           1HB      CYS  33   4.820   2.941  -2.875
  212    HB3  CYS  33           2HB      CYS  33   6.560   3.212  -2.905
  213    H    ALA  34           H        ALA  34   4.294   5.139  -3.898
  214    HA   ALA  34           HA       ALA  34   6.090   6.279  -5.541
  215    HB1  ALA  34           1HB      ALA  34   4.349   7.122  -6.759
  216    HB2  ALA  34           2HB      ALA  34   3.478   5.988  -5.727
  217    HB3  ALA  34           3HB      ALA  34   3.489   7.707  -5.334
  218    H    ILE  35           H        ILE  35   4.163   8.187  -3.218
  219    HA   ILE  35           HA       ILE  35   5.962  10.448  -3.565
  220    HB   ILE  35           HB       ILE  35   4.412  11.648  -2.066
  221   HG12  ILE  35          1HG1      ILE  35   2.706   9.157  -2.149
  222   HG13  ILE  35          2HG1      ILE  35   3.751   9.560  -0.791
  223   HG21  ILE  35          1HG2      ILE  35   3.793  12.013  -4.235
  224   HG22  ILE  35          2HG2      ILE  35   3.491  10.305  -4.552
  225   HG23  ILE  35          3HG2      ILE  35   2.325  11.249  -3.626
  226   HD11  ILE  35          1HD1      ILE  35   2.419  11.277  -0.102
  227   HD12  ILE  35          2HD1      ILE  35   1.789  11.586  -1.720
  228   HD13  ILE  35          3HD1      ILE  35   1.210  10.199  -0.799
  229    H    SER  36           H        SER  36   7.115   8.144  -2.380
  230    HA   SER  36           HA       SER  36   7.529   9.046   0.395
  231    HB2  SER  36           1HB      SER  36   6.600   6.714   0.046
  232    HB3  SER  36           2HB      SER  36   8.145   6.294  -0.695
  233    HG   SER  36           HG       SER  36   7.539   6.324   1.873
  234    H    HIS  37           H        HIS  37   9.767   8.486   1.239
  235    HA   HIS  37           HA       HIS  37  11.697   9.832  -0.318
  236    HB2  HIS  37           1HB      HIS  37  11.642   9.660   2.205
  237    HB3  HIS  37           2HB      HIS  37  12.262   8.021   2.032
  238    HD1  HIS  37           1HD      HIS  37  14.391   8.510  -0.139
  239    HD2  HIS  37           2HD      HIS  37  13.835  10.944   3.182
  240    HE1  HIS  37           1HE      HIS  37  16.587   9.687   0.207
  241    H    THR  38           H        THR  38  11.561   6.410   0.684
  242    HA   THR  38           HA       THR  38  13.726   5.425  -0.662
  243    HB   THR  38           HB       THR  38  11.056   4.023  -0.443
  244    HG1  THR  38           1HG      THR  38  13.268   3.914   1.348
  245   HG21  THR  38          1HG2      THR  38  13.866   3.008  -0.859
  246   HG22  THR  38          2HG2      THR  38  12.483   2.819  -1.937
  247   HG23  THR  38          3HG2      THR  38  12.515   1.979  -0.386
  248    H    HIS  39           H        HIS  39  10.417   5.655  -1.971
  249    HA   HIS  39           HA       HIS  39  11.484   5.197  -4.659
  250    HB2  HIS  39           1HB      HIS  39   8.701   5.123  -3.507
  251    HB3  HIS  39           2HB      HIS  39   8.987   5.125  -5.245
  252    HD2  HIS  39           2HD      HIS  39   9.217   2.719  -2.212
  253    HE1  HIS  39           1HE      HIS  39  10.291   0.554  -5.700
  254    HE2  HIS  39           2HE      HIS  39   9.670   0.399  -3.264
  255    H    ARG  40           H        ARG  40  12.262   7.607  -3.700
  256    HA   ARG  40           HA       ARG  40  10.392   9.650  -4.560
  257    HB2  ARG  40           1HB      ARG  40  11.795  10.022  -2.573
  258    HB3  ARG  40           2HB      ARG  40  13.238   9.887  -3.569
  259    HG2  ARG  40           1HG      ARG  40  12.840  12.195  -3.191
  260    HG3  ARG  40           2HG      ARG  40  12.423  11.857  -4.872
  261    HD2  ARG  40           1HD      ARG  40  10.051  11.704  -4.228
  262    HD3  ARG  40           2HD      ARG  40  10.493  12.105  -2.568
  263    HE   ARG  40           HE       ARG  40  10.303  13.913  -4.804
  264   HH11  ARG  40          2HH1      ARG  40  11.642  13.370  -1.637
  265   HH12  ARG  40          1HH1      ARG  40  11.855  15.055  -1.295
  266   HH21  ARG  40          2HH2      ARG  40  10.579  16.135  -4.366
  267   HH22  ARG  40          1HH2      ARG  40  11.250  16.627  -2.848
  268    H    ALA  41           H        ALA  41  10.508  10.831  -6.404
  269    HA   ALA  41           HA       ALA  41  10.957  11.239  -8.604
  270    HB1  ALA  41           1HB      ALA  41  12.917  12.277  -7.265
  271    HB2  ALA  41           2HB      ALA  41  13.868  10.970  -7.970
  272    HB3  ALA  41           3HB      ALA  41  13.053  12.131  -9.017
  273    H    HIS  42           H        HIS  42  10.324   8.606  -8.230
  274    HA   HIS  42           HA       HIS  42  12.255   7.150  -9.909
  275    HB2  HIS  42           1HB      HIS  42  10.447   6.314  -7.700
  276    HB3  HIS  42           2HB      HIS  42  10.698   5.168  -9.014
  277    HD2  HIS  42           2HD      HIS  42  13.973   6.866  -8.688
  278    HE1  HIS  42           1HE      HIS  42  14.130   3.687  -5.882
  279    HE2  HIS  42           2HE      HIS  42  15.443   5.475  -7.076
  280    H    THR  43           H        THR  43  11.282   5.553 -11.420
  281    HA   THR  43           HA       THR  43   9.079   6.813 -12.851
  282    HB   THR  43           HB       THR  43  10.827   4.487 -13.678
  283    HG1  THR  43           1HG      THR  43  11.879   6.591 -13.449
  284   HG21  THR  43          1HG2      THR  43   8.417   5.609 -14.796
  285   HG22  THR  43          2HG2      THR  43   9.335   4.194 -15.310
  286   HG23  THR  43          3HG2      THR  43   9.767   5.793 -15.914
  287    H    VAL  44           H        VAL  44   7.286   6.244 -11.611
  288    HA   VAL  44           HA       VAL  44   6.696   3.370 -11.399
  289    HB   VAL  44           HB       VAL  44   5.421   5.695  -9.950
  290   HG11  VAL  44          1HG1      VAL  44   3.705   4.203  -9.912
  291   HG12  VAL  44          2HG1      VAL  44   4.765   2.809 -10.129
  292   HG13  VAL  44          3HG1      VAL  44   4.631   3.578  -8.547
  293   HG21  VAL  44          1HG2      VAL  44   7.818   4.984  -9.366
  294   HG22  VAL  44          2HG2      VAL  44   6.646   5.097  -8.053
  295   HG23  VAL  44          3HG2      VAL  44   7.078   3.521  -8.715
  296    H    VAL  45           H        VAL  45   4.699   2.553 -12.079
  297    HA   VAL  45           HA       VAL  45   3.137   4.332 -13.835
  298    HB   VAL  45           HB       VAL  45   2.765   2.483 -15.372
  299   HG11  VAL  45          1HG1      VAL  45   5.691   2.322 -15.186
  300   HG12  VAL  45          2HG1      VAL  45   4.663   2.873 -16.511
  301   HG13  VAL  45          3HG1      VAL  45   5.034   3.959 -15.170
  302   HG21  VAL  45          1HG2      VAL  45   3.088   0.755 -13.482
  303   HG22  VAL  45          2HG2      VAL  45   3.616   0.333 -15.111
  304   HG23  VAL  45          3HG2      VAL  45   4.798   0.841 -13.905
  305    HA   PRO  46           HA       PRO  46  -0.382   3.058 -11.518
  306    HB2  PRO  46           1HB      PRO  46  -2.318   3.555 -13.355
  307    HB3  PRO  46           2HB      PRO  46  -1.473   4.837 -12.480
  308    HG2  PRO  46           1HG      PRO  46  -0.997   3.801 -15.248
  309    HG3  PRO  46           2HG      PRO  46  -1.025   5.477 -14.670
  310    HD2  PRO  46           1HD      PRO  46   1.280   4.125 -15.109
  311    HD3  PRO  46           2HD      PRO  46   1.124   5.360 -13.843
  312    H    LEU  47           H        LEU  47  -0.764   0.977 -11.095
  313    HA   LEU  47           HA       LEU  47  -0.864  -1.003 -13.190
  314    HB2  LEU  47           1HB      LEU  47  -1.144  -1.123 -10.201
  315    HB3  LEU  47           2HB      LEU  47  -1.384  -2.536 -11.226
  316    HG   LEU  47           HG       LEU  47   1.175  -0.946 -11.066
  317   HD11  LEU  47          1HD1      LEU  47   0.480  -3.600  -9.816
  318   HD12  LEU  47          2HD1      LEU  47   0.676  -2.077  -8.951
  319   HD13  LEU  47          3HD1      LEU  47   2.054  -2.806  -9.774
  320   HD21  LEU  47          1HD2      LEU  47   0.308  -3.381 -12.572
  321   HD22  LEU  47          2HD2      LEU  47   1.997  -3.175 -12.105
  322   HD23  LEU  47          3HD2      LEU  47   1.214  -1.978 -13.138
  323    H    SER  48           H        SER  48  -2.694  -2.754 -12.816
  324    HA   SER  48           HA       SER  48  -4.860  -3.100 -13.554
  325    HB2  SER  48           1HB      SER  48  -6.475  -2.659 -11.701
  326    HB3  SER  48           2HB      SER  48  -5.006  -3.475 -11.165
  327    HG   SER  48           HG       SER  48  -5.778  -0.788 -10.795
  328    H    GLY  49           H        GLY  49  -3.936  -0.886 -14.883
  329    HA2  GLY  49           1HA      GLY  49  -5.193   0.522 -16.340
  330    HA3  GLY  49           2HA      GLY  49  -6.399   0.703 -15.075
  331    HA   PRO  50           HA       PRO  50  -3.090   4.180 -15.146
  332    HB2  PRO  50           1HB      PRO  50  -4.354   6.015 -16.697
  333    HB3  PRO  50           2HB      PRO  50  -3.223   4.823 -17.348
  334    HG2  PRO  50           1HG      PRO  50  -6.216   4.775 -17.317
  335    HG3  PRO  50           2HG      PRO  50  -5.103   4.339 -18.627
  336    HD2  PRO  50           1HD      PRO  50  -6.298   2.487 -17.053
  337    HD3  PRO  50           2HD      PRO  50  -4.679   2.253 -17.741
  338    H    SER  51           H        SER  51  -3.659   6.600 -14.610
  339    HA   SER  51           HA       SER  51  -5.247   6.565 -12.271
  340    HB2  SER  51           1HB      SER  51  -3.816   8.694 -13.820
  341    HB3  SER  51           2HB      SER  51  -4.936   9.162 -12.541
  342    HG   SER  51           HG       SER  51  -3.675   8.187 -11.058
  343    H    SER  52           H        SER  52  -7.342   6.959 -11.957
  344    HA   SER  52           HA       SER  52  -9.132   7.191 -14.127
  345    HB2  SER  52           1HB      SER  52  -9.446   7.400 -11.142
  346    HB3  SER  52           2HB      SER  52 -10.807   7.714 -12.218
  347    HG   SER  52           HG       SER  52  -9.390   5.323 -11.787
  348    H    GLY  53           H        GLY  53 -10.470   8.905 -14.767
  349    HA2  GLY  53           1HA      GLY  53  -9.700  11.570 -13.765
  350    HA3  GLY  53           2HA      GLY  53  -9.736  11.245 -15.492
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -12.197 -16.399  15.078
    2    HA2  GLY   1           1HA      GLY   1 -12.393 -18.826  13.828
    3    HA3  GLY   1           2HA      GLY   1 -13.948 -18.063  13.529
    4    H    SER   2           H        SER   2 -13.899 -17.493  11.445
    5    HA   SER   2           HA       SER   2 -11.657 -15.801  10.559
    6    HB2  SER   2           1HB      SER   2 -13.125 -17.871   8.907
    7    HB3  SER   2           2HB      SER   2 -11.878 -16.779   8.304
    8    HG   SER   2           HG       SER   2 -11.366 -18.475  10.493
    9    H    SER   3           H        SER   3 -12.186 -13.929   9.588
   10    HA   SER   3           HA       SER   3 -15.052 -13.388   9.200
   11    HB2  SER   3           1HB      SER   3 -13.569 -12.017  10.845
   12    HB3  SER   3           2HB      SER   3 -12.954 -11.244   9.384
   13    HG   SER   3           HG       SER   3 -15.410 -11.074   8.964
   14    H    GLY   4           H        GLY   4 -11.853 -12.815   7.766
   15    HA2  GLY   4           1HA      GLY   4 -11.733 -13.319   5.332
   16    HA3  GLY   4           2HA      GLY   4 -13.212 -12.383   5.177
   17    H    SER   5           H        SER   5  -9.773 -12.211   5.890
   18    HA   SER   5           HA       SER   5  -9.863  -9.309   5.400
   19    HB2  SER   5           1HB      SER   5  -7.878  -9.079   6.695
   20    HB3  SER   5           2HB      SER   5  -8.930 -10.159   7.610
   21    HG   SER   5           HG       SER   5  -6.687 -10.842   6.021
   22    H    SER   6           H        SER   6 -10.005 -11.020   3.217
   23    HA   SER   6           HA       SER   6  -7.471 -10.391   1.890
   24    HB2  SER   6           1HB      SER   6  -8.706 -13.099   2.173
   25    HB3  SER   6           2HB      SER   6  -7.884 -12.702   0.664
   26    HG   SER   6           HG       SER   6  -6.027 -12.202   1.902
   27    H    GLY   7           H        GLY   7  -7.957  -9.111   0.242
   28    HA2  GLY   7           1HA      GLY   7 -10.208  -9.834  -1.494
   29    HA3  GLY   7           2HA      GLY   7 -10.174  -8.215  -0.810
   30    H    GLU   8           H        GLU   8  -7.997  -7.058  -1.170
   31    HA   GLU   8           HA       GLU   8  -7.032  -7.642  -3.892
   32    HB2  GLU   8           1HB      GLU   8  -8.484  -5.741  -4.071
   33    HB3  GLU   8           2HB      GLU   8  -7.735  -4.967  -2.682
   34    HG2  GLU   8           1HG      GLU   8  -5.610  -4.865  -4.003
   35    HG3  GLU   8           2HG      GLU   8  -6.535  -5.412  -5.401
   36    H    SER   9           H        SER   9  -4.867  -7.401  -4.271
   37    HA   SER   9           HA       SER   9  -3.010  -7.895  -2.370
   38    HB2  SER   9           1HB      SER   9  -2.852  -6.513  -5.012
   39    HB3  SER   9           2HB      SER   9  -1.427  -6.486  -3.973
   40    HG   SER   9           HG       SER   9  -2.757  -8.705  -5.099
   41    H    LEU  10           H        LEU  10  -1.539  -6.705  -1.120
   42    HA   LEU  10           HA       LEU  10  -2.049  -3.838  -0.822
   43    HB2  LEU  10           1HB      LEU  10  -1.969  -5.776   1.486
   44    HB3  LEU  10           2HB      LEU  10  -2.130  -4.025   1.603
   45    HG   LEU  10           HG       LEU  10  -4.165  -5.865   0.348
   46   HD11  LEU  10          1HD1      LEU  10  -5.352  -4.788   2.533
   47   HD12  LEU  10          2HD1      LEU  10  -3.703  -5.008   3.116
   48   HD13  LEU  10          3HD1      LEU  10  -4.606  -6.385   2.485
   49   HD21  LEU  10          1HD2      LEU  10  -3.781  -3.169  -0.054
   50   HD22  LEU  10          2HD2      LEU  10  -5.000  -3.217   1.220
   51   HD23  LEU  10          3HD2      LEU  10  -5.287  -4.051  -0.308
   52    H    CYS  11           H        CYS  11  -0.335  -2.672   0.195
   53    HA   CYS  11           HA       CYS  11   2.231  -3.477  -0.579
   54    HB2  CYS  11           1HB      CYS  11   1.292  -1.113  -0.013
   55    HB3  CYS  11           2HB      CYS  11   1.794  -1.492   1.631
   56    HA   PRO  12           HA       PRO  12   3.356  -6.252   2.672
   57    HB2  PRO  12           1HB      PRO  12   6.024  -6.323   2.171
   58    HB3  PRO  12           2HB      PRO  12   4.835  -7.158   1.165
   59    HG2  PRO  12           1HG      PRO  12   6.187  -4.527   0.710
   60    HG3  PRO  12           2HG      PRO  12   5.870  -5.836  -0.444
   61    HD2  PRO  12           1HD      PRO  12   4.332  -3.611  -0.307
   62    HD3  PRO  12           2HD      PRO  12   3.677  -5.198  -0.757
   63    H    GLN  13           H        GLN  13   3.882  -3.004   2.645
   64    HA   GLN  13           HA       GLN  13   5.151  -3.093   5.292
   65    HB2  GLN  13           1HB      GLN  13   6.835  -2.414   3.616
   66    HB3  GLN  13           2HB      GLN  13   5.795  -1.082   3.128
   67    HG2  GLN  13           1HG      GLN  13   6.010  -0.061   5.300
   68    HG3  GLN  13           2HG      GLN  13   6.944  -1.437   5.887
   69   HE21  GLN  13          1HE2      GLN  13   7.808   1.239   5.951
   70   HE22  GLN  13          2HE2      GLN  13   9.191   1.382   4.925
   71    H    HIS  14           H        HIS  14   3.091  -1.393   3.008
   72    HA   HIS  14           HA       HIS  14   1.994   0.198   5.229
   73    HB2  HIS  14           1HB      HIS  14   1.672   0.731   2.272
   74    HB3  HIS  14           2HB      HIS  14   1.240   1.803   3.600
   75    HD2  HIS  14           2HD      HIS  14   3.534   2.908   4.980
   76    HE1  HIS  14           1HE      HIS  14   6.141   2.184   1.712
   77    HE2  HIS  14           2HE      HIS  14   5.868   3.321   3.943
   78    H    HIS  15           H        HIS  15   1.374  -2.428   3.227
   79    HA   HIS  15           HA       HIS  15  -0.488  -3.637   2.691
   80    HB2  HIS  15           1HB      HIS  15  -0.965  -2.632   5.464
   81    HB3  HIS  15           2HB      HIS  15  -2.266  -3.490   4.644
   82    HD1  HIS  15           1HD      HIS  15  -0.314  -4.383   7.144
   83    HD2  HIS  15           2HD      HIS  15  -0.400  -5.845   3.256
   84    HE1  HIS  15           1HE      HIS  15   0.684  -6.688   7.270
   85    H    GLU  16           H        GLU  16  -0.417  -0.948   1.648
   86    HA   GLU  16           HA       GLU  16  -3.232  -0.137   1.719
   87    HB2  GLU  16           1HB      GLU  16  -0.695   1.228   0.888
   88    HB3  GLU  16           2HB      GLU  16  -2.244   1.812   0.296
   89    HG2  GLU  16           1HG      GLU  16  -1.395   1.580   3.173
   90    HG3  GLU  16           2HG      GLU  16  -1.575   3.065   2.240
   91    H    ALA  17           H        ALA  17  -4.466   0.083  -0.159
   92    HA   ALA  17           HA       ALA  17  -4.442  -1.880  -2.023
   93    HB1  ALA  17           1HB      ALA  17  -5.268   0.900  -2.799
   94    HB2  ALA  17           2HB      ALA  17  -5.979  -0.641  -3.282
   95    HB3  ALA  17           3HB      ALA  17  -6.185  -0.054  -1.632
   96    H    LEU  18           H        LEU  18  -2.825  -2.532  -3.282
   97    HA   LEU  18           HA       LEU  18  -0.783  -0.768  -4.228
   98    HB2  LEU  18           1HB      LEU  18  -1.414  -3.637  -4.899
   99    HB3  LEU  18           2HB      LEU  18   0.016  -2.774  -5.461
  100    HG   LEU  18           HG       LEU  18  -0.653  -3.438  -2.594
  101   HD11  LEU  18          1HD1      LEU  18   0.962  -4.742  -4.690
  102   HD12  LEU  18          2HD1      LEU  18   0.138  -5.432  -3.292
  103   HD13  LEU  18          3HD1      LEU  18   1.696  -4.632  -3.090
  104   HD21  LEU  18          1HD2      LEU  18   1.274  -1.593  -3.823
  105   HD22  LEU  18          2HD2      LEU  18   1.954  -2.695  -2.625
  106   HD23  LEU  18          3HD2      LEU  18   0.618  -1.630  -2.186
  107    H    SER  19           H        SER  19  -0.955   0.543  -5.910
  108    HA   SER  19           HA       SER  19  -2.582  -0.314  -8.209
  109    HB2  SER  19           1HB      SER  19  -2.601   2.309  -6.750
  110    HB3  SER  19           2HB      SER  19  -2.986   2.260  -8.470
  111    HG   SER  19           HG       SER  19  -4.327   0.989  -6.330
  112    H    LEU  20           H        LEU  20   0.153   1.535  -7.013
  113    HA   LEU  20           HA       LEU  20   1.103   2.031  -9.727
  114    HB2  LEU  20           1HB      LEU  20   2.105   2.903  -7.026
  115    HB3  LEU  20           2HB      LEU  20   2.943   3.259  -8.536
  116    HG   LEU  20           HG       LEU  20   0.138   4.170  -7.903
  117   HD11  LEU  20          1HD1      LEU  20   2.706   5.741  -7.752
  118   HD12  LEU  20          2HD1      LEU  20   1.795   5.152  -6.362
  119   HD13  LEU  20          3HD1      LEU  20   1.077   6.344  -7.445
  120   HD21  LEU  20          1HD2      LEU  20   1.904   4.323 -10.242
  121   HD22  LEU  20          2HD2      LEU  20   1.163   5.853  -9.773
  122   HD23  LEU  20          3HD2      LEU  20   0.148   4.454 -10.130
  123    H    PHE  21           H        PHE  21   3.502   1.673 -10.094
  124    HA   PHE  21           HA       PHE  21   4.707  -0.510  -8.642
  125    HB2  PHE  21           1HB      PHE  21   3.405  -1.904 -10.021
  126    HB3  PHE  21           2HB      PHE  21   3.621  -0.864 -11.425
  127    HD1  PHE  21           2HD      PHE  21   5.853  -0.788 -12.552
  128    HD2  PHE  21           1HD      PHE  21   4.897  -3.657  -9.557
  129    HE1  PHE  21           2HE      PHE  21   7.731  -2.190 -13.301
  130    HE2  PHE  21           1HE      PHE  21   6.774  -5.064 -10.301
  131    HZ   PHE  21           HZ       PHE  21   8.193  -4.331 -12.176
  132    H    CYS  22           H        CYS  22   6.769   0.032  -8.465
  133    HA   CYS  22           HA       CYS  22   7.983   2.054 -10.027
  134    HB2  CYS  22           1HB      CYS  22   8.609   1.461  -7.672
  135    HB3  CYS  22           2HB      CYS  22   9.370   0.000  -8.294
  136    H    TYR  23           H        TYR  23   9.412   1.965 -11.706
  137    HA   TYR  23           HA       TYR  23   9.420  -0.486 -13.250
  138    HB2  TYR  23           1HB      TYR  23   9.121   1.946 -14.130
  139    HB3  TYR  23           2HB      TYR  23  10.878   2.018 -14.040
  140    HD1  TYR  23           1HD      TYR  23   8.066   0.121 -15.554
  141    HD2  TYR  23           2HD      TYR  23  12.201   1.101 -15.749
  142    HE1  TYR  23           1HE      TYR  23   8.215  -0.972 -17.752
  143    HE2  TYR  23           2HE      TYR  23  12.362   0.012 -17.948
  144    HH   TYR  23           HH       TYR  23   9.516  -1.467 -19.478
  145    H    GLU  24           H        GLU  24  11.985   1.815 -12.314
  146    HA   GLU  24           HA       GLU  24  14.180   0.293 -12.911
  147    HB2  GLU  24           1HB      GLU  24  13.690   2.317 -10.749
  148    HB3  GLU  24           2HB      GLU  24  15.245   1.509 -10.878
  149    HG2  GLU  24           1HG      GLU  24  13.946   3.080 -13.091
  150    HG3  GLU  24           2HG      GLU  24  15.173   3.710 -11.993
  151    H    ASP  25           H        ASP  25  12.388   0.298  -9.841
  152    HA   ASP  25           HA       ASP  25  13.984  -1.740  -8.652
  153    HB2  ASP  25           1HB      ASP  25  11.201  -0.815  -7.908
  154    HB3  ASP  25           2HB      ASP  25  12.279  -1.772  -6.895
  155    H    GLN  26           H        GLN  26  10.900  -1.705 -10.370
  156    HA   GLN  26           HA       GLN  26   9.810  -3.371 -11.492
  157    HB2  GLN  26           1HB      GLN  26  12.306  -4.202 -11.749
  158    HB3  GLN  26           2HB      GLN  26  11.776  -5.445 -10.624
  159    HG2  GLN  26           1HG      GLN  26  11.309  -6.498 -12.572
  160    HG3  GLN  26           2HG      GLN  26   9.783  -5.644 -12.347
  161   HE21  GLN  26          1HE2      GLN  26   9.351  -3.805 -13.599
  162   HE22  GLN  26          2HE2      GLN  26  10.195  -3.499 -15.075
  163    H    GLU  27           H        GLU  27   9.072  -2.680  -8.918
  164    HA   GLU  27           HA       GLU  27   7.866  -5.184  -8.026
  165    HB2  GLU  27           1HB      GLU  27   8.417  -4.824  -5.706
  166    HB3  GLU  27           2HB      GLU  27   9.903  -4.846  -6.646
  167    HG2  GLU  27           1HG      GLU  27   9.725  -2.304  -6.667
  168    HG3  GLU  27           2HG      GLU  27   8.515  -2.500  -5.401
  169    H    ALA  28           H        ALA  28   5.818  -4.961  -7.253
  170    HA   ALA  28           HA       ALA  28   4.345  -2.673  -7.904
  171    HB1  ALA  28           1HB      ALA  28   2.506  -3.836  -7.230
  172    HB2  ALA  28           2HB      ALA  28   3.644  -5.174  -7.386
  173    HB3  ALA  28           3HB      ALA  28   3.303  -4.487  -5.798
  174    H    VAL  29           H        VAL  29   3.552  -0.970  -6.725
  175    HA   VAL  29           HA       VAL  29   4.341  -0.749  -3.909
  176    HB   VAL  29           HB       VAL  29   5.097   1.562  -4.226
  177   HG11  VAL  29          1HG1      VAL  29   6.472  -0.766  -4.892
  178   HG12  VAL  29          2HG1      VAL  29   6.879   0.383  -6.168
  179   HG13  VAL  29          3HG1      VAL  29   7.171   0.799  -4.479
  180   HG21  VAL  29          1HG2      VAL  29   4.873   1.015  -7.184
  181   HG22  VAL  29          2HG2      VAL  29   3.759   2.022  -6.260
  182   HG23  VAL  29          3HG2      VAL  29   5.449   2.498  -6.422
  183    H    CYS  30           H        CYS  30   3.307   1.251  -2.901
  184    HA   CYS  30           HA       CYS  30   0.546   1.458  -3.899
  185    HB2  CYS  30           1HB      CYS  30  -0.153   1.861  -1.640
  186    HB3  CYS  30           2HB      CYS  30   0.903   0.452  -1.625
  187    H    LEU  31           H        LEU  31  -0.548   3.567  -3.190
  188    HA   LEU  31           HA       LEU  31   0.471   5.704  -4.551
  189    HB2  LEU  31           1HB      LEU  31  -1.507   5.403  -2.369
  190    HB3  LEU  31           2HB      LEU  31  -0.928   7.034  -2.703
  191    HG   LEU  31           HG       LEU  31  -3.030   6.567  -3.855
  192   HD11  LEU  31          1HD1      LEU  31  -2.236   8.026  -5.323
  193   HD12  LEU  31          2HD1      LEU  31  -1.636   6.673  -6.282
  194   HD13  LEU  31          3HD1      LEU  31  -0.590   7.439  -5.087
  195   HD21  LEU  31          1HD2      LEU  31  -3.286   4.404  -4.430
  196   HD22  LEU  31          2HD2      LEU  31  -1.559   4.154  -4.682
  197   HD23  LEU  31          3HD2      LEU  31  -2.530   4.925  -5.936
  198    H    ILE  32           H        ILE  32   0.462   5.559  -0.985
  199    HA   ILE  32           HA       ILE  32   2.053   7.682  -0.408
  200    HB   ILE  32           HB       ILE  32   2.146   4.992   0.961
  201   HG12  ILE  32          1HG1      ILE  32   0.694   6.524   2.601
  202   HG13  ILE  32          2HG1      ILE  32   0.316   7.338   1.086
  203   HG21  ILE  32          1HG2      ILE  32   4.058   6.641   1.389
  204   HG22  ILE  32          2HG2      ILE  32   2.849   7.626   2.212
  205   HG23  ILE  32          3HG2      ILE  32   3.200   5.997   2.789
  206   HD11  ILE  32          1HD1      ILE  32  -0.920   5.616   0.316
  207   HD12  ILE  32          2HD1      ILE  32   0.085   4.397   1.102
  208   HD13  ILE  32          3HD1      ILE  32  -1.103   5.300   2.042
  209    H    CYS  33           H        CYS  33   3.274   4.371  -0.935
  210    HA   CYS  33           HA       CYS  33   5.941   4.691  -0.691
  211    HB2  CYS  33           1HB      CYS  33   4.272   3.046  -2.524
  212    HB3  CYS  33           2HB      CYS  33   5.997   3.139  -2.869
  213    H    ALA  34           H        ALA  34   4.084   5.496  -3.614
  214    HA   ALA  34           HA       ALA  34   6.255   6.421  -5.140
  215    HB1  ALA  34           1HB      ALA  34   3.862   5.856  -5.884
  216    HB2  ALA  34           2HB      ALA  34   3.480   7.517  -5.430
  217    HB3  ALA  34           3HB      ALA  34   4.686   7.199  -6.677
  218    H    ILE  35           H        ILE  35   4.053   8.094  -2.934
  219    HA   ILE  35           HA       ILE  35   5.553  10.581  -3.313
  220    HB   ILE  35           HB       ILE  35   3.764  11.658  -2.020
  221   HG12  ILE  35          1HG1      ILE  35   2.272   9.043  -2.092
  222   HG13  ILE  35          2HG1      ILE  35   3.275   9.491  -0.717
  223   HG21  ILE  35          1HG2      ILE  35   2.606  11.929  -3.903
  224   HG22  ILE  35          2HG2      ILE  35   3.625  10.672  -4.602
  225   HG23  ILE  35          3HG2      ILE  35   2.064  10.251  -3.898
  226   HD11  ILE  35          1HD1      ILE  35   0.601  10.208  -1.248
  227   HD12  ILE  35          2HD1      ILE  35   1.614  10.681   0.116
  228   HD13  ILE  35          3HD1      ILE  35   1.571  11.677  -1.339
  229    H    SER  36           H        SER  36   6.950   8.572  -2.004
  230    HA   SER  36           HA       SER  36   7.124   9.686   0.714
  231    HB2  SER  36           1HB      SER  36   6.138   7.255   0.405
  232    HB3  SER  36           2HB      SER  36   7.839   6.819   0.241
  233    HG   SER  36           HG       SER  36   7.938   6.924   2.326
  234    H    HIS  37           H        HIS  37   8.597  10.510  -1.564
  235    HA   HIS  37           HA       HIS  37  10.723  10.744  -2.397
  236    HB2  HIS  37           1HB      HIS  37  10.626  11.824  -0.026
  237    HB3  HIS  37           2HB      HIS  37  11.662  10.479   0.442
  238    HD1  HIS  37           1HD      HIS  37  11.748  13.798  -1.055
  239    HD2  HIS  37           2HD      HIS  37  14.181  10.430  -1.040
  240    HE1  HIS  37           1HE      HIS  37  13.997  14.590  -1.853
  241    H    THR  38           H        THR  38   9.782   7.963  -2.131
  242    HA   THR  38           HA       THR  38  12.348   6.582  -1.712
  243    HB   THR  38           HB       THR  38   9.549   5.436  -1.750
  244    HG1  THR  38           1HG      THR  38  11.401   6.004   0.332
  245   HG21  THR  38          1HG2      THR  38  12.203   4.098  -1.205
  246   HG22  THR  38          2HG2      THR  38  11.184   3.843  -2.622
  247   HG23  THR  38          3HG2      THR  38  10.618   3.346  -1.028
  248    H    HIS  39           H        HIS  39   9.447   6.233  -3.766
  249    HA   HIS  39           HA       HIS  39  11.185   5.273  -5.929
  250    HB2  HIS  39           1HB      HIS  39   8.184   5.067  -5.607
  251    HB3  HIS  39           2HB      HIS  39   9.110   4.406  -6.951
  252    HD2  HIS  39           2HD      HIS  39   7.873   3.354  -3.526
  253    HE1  HIS  39           1HE      HIS  39  10.890   0.576  -4.613
  254    HE2  HIS  39           2HE      HIS  39   8.967   1.057  -3.059
  255    H    ARG  40           H        ARG  40   9.367   7.963  -4.927
  256    HA   ARG  40           HA       ARG  40   8.259   9.144  -7.067
  257    HB2  ARG  40           1HB      ARG  40   8.524  10.192  -4.827
  258    HB3  ARG  40           2HB      ARG  40  10.195  10.561  -5.230
  259    HG2  ARG  40           1HG      ARG  40   9.244  12.549  -5.763
  260    HG3  ARG  40           2HG      ARG  40   9.052  11.726  -7.312
  261    HD2  ARG  40           1HD      ARG  40   6.777  10.968  -6.401
  262    HD3  ARG  40           2HD      ARG  40   7.004  12.214  -5.175
  263    HE   ARG  40           HE       ARG  40   6.661  13.835  -6.783
  264   HH11  ARG  40          2HH1      ARG  40   6.928  10.698  -8.270
  265   HH12  ARG  40          1HH1      ARG  40   6.369  11.240  -9.818
  266   HH21  ARG  40          2HH2      ARG  40   5.924  14.561  -8.816
  267   HH22  ARG  40          1HH2      ARG  40   5.800  13.438 -10.128
  268    H    ALA  41           H        ALA  41  11.754   9.220  -6.391
  269    HA   ALA  41           HA       ALA  41  12.525  10.639  -8.674
  270    HB1  ALA  41           1HB      ALA  41  14.073  10.389  -6.883
  271    HB2  ALA  41           2HB      ALA  41  14.026   8.630  -7.007
  272    HB3  ALA  41           3HB      ALA  41  14.766   9.585  -8.292
  273    H    HIS  42           H        HIS  42  12.155   7.157  -8.140
  274    HA   HIS  42           HA       HIS  42  13.125   6.339 -10.663
  275    HB2  HIS  42           1HB      HIS  42  11.121   4.908  -8.908
  276    HB3  HIS  42           2HB      HIS  42  12.125   4.185 -10.161
  277    HD2  HIS  42           2HD      HIS  42  15.021   5.416  -9.215
  278    HE1  HIS  42           1HE      HIS  42  14.126   3.526  -5.524
  279    HE2  HIS  42           2HE      HIS  42  15.916   4.610  -6.925
  280    H    THR  43           H        THR  43  11.502   4.924 -12.073
  281    HA   THR  43           HA       THR  43   9.453   6.812 -12.973
  282    HB   THR  43           HB       THR  43  10.453   4.355 -14.419
  283    HG1  THR  43           1HG      THR  43  12.121   5.507 -15.020
  284   HG21  THR  43          1HG2      THR  43   8.545   4.884 -15.554
  285   HG22  THR  43          2HG2      THR  43   9.649   6.006 -16.350
  286   HG23  THR  43          3HG2      THR  43   8.590   6.576 -15.060
  287    H    VAL  44           H        VAL  44   7.923   6.278 -11.322
  288    HA   VAL  44           HA       VAL  44   6.929   3.626 -10.993
  289    HB   VAL  44           HB       VAL  44   5.694   6.268 -10.205
  290   HG11  VAL  44          1HG1      VAL  44   4.507   4.703  -8.525
  291   HG12  VAL  44          2HG1      VAL  44   3.902   4.791 -10.180
  292   HG13  VAL  44          3HG1      VAL  44   4.904   3.429  -9.677
  293   HG21  VAL  44          1HG2      VAL  44   7.411   4.302  -8.701
  294   HG22  VAL  44          2HG2      VAL  44   7.788   5.980  -9.089
  295   HG23  VAL  44          3HG2      VAL  44   6.510   5.608  -7.932
  296    H    VAL  45           H        VAL  45   5.450   2.561 -12.138
  297    HA   VAL  45           HA       VAL  45   3.834   4.081 -14.082
  298    HB   VAL  45           HB       VAL  45   3.798   2.069 -15.490
  299   HG11  VAL  45          1HG1      VAL  45   5.512   3.070 -16.484
  300   HG12  VAL  45          2HG1      VAL  45   6.080   3.719 -14.945
  301   HG13  VAL  45          3HG1      VAL  45   6.603   2.120 -15.476
  302   HG21  VAL  45          1HG2      VAL  45   4.494   0.712 -13.228
  303   HG22  VAL  45          2HG2      VAL  45   4.577   0.059 -14.865
  304   HG23  VAL  45          3HG2      VAL  45   6.019   0.745 -14.115
  305    HA   PRO  46           HA       PRO  46   0.239   2.576 -12.032
  306    HB2  PRO  46           1HB      PRO  46  -1.543   2.820 -14.065
  307    HB3  PRO  46           2HB      PRO  46  -0.908   4.208 -13.172
  308    HG2  PRO  46           1HG      PRO  46  -0.069   3.121 -15.833
  309    HG3  PRO  46           2HG      PRO  46  -0.305   4.807 -15.337
  310    HD2  PRO  46           1HD      PRO  46   2.145   3.664 -15.493
  311    HD3  PRO  46           2HD      PRO  46   1.753   4.924 -14.305
  312    H    LEU  47           H        LEU  47  -0.181   0.519 -11.562
  313    HA   LEU  47           HA       LEU  47   0.359  -1.620 -13.357
  314    HB2  LEU  47           1HB      LEU  47  -0.791  -1.373 -10.620
  315    HB3  LEU  47           2HB      LEU  47  -0.997  -2.890 -11.494
  316    HG   LEU  47           HG       LEU  47   1.711  -1.660 -11.059
  317   HD11  LEU  47          1HD1      LEU  47   1.773  -3.509  -9.214
  318   HD12  LEU  47          2HD1      LEU  47   0.028  -3.254  -9.185
  319   HD13  LEU  47          3HD1      LEU  47   1.120  -1.910  -8.855
  320   HD21  LEU  47          1HD2      LEU  47   0.715  -3.935 -12.445
  321   HD22  LEU  47          2HD2      LEU  47   1.675  -4.493 -11.075
  322   HD23  LEU  47          3HD2      LEU  47   2.385  -3.397 -12.262
  323    H    SER  48           H        SER  48  -2.676  -0.361 -11.978
  324    HA   SER  48           HA       SER  48  -4.248  -1.979 -13.795
  325    HB2  SER  48           1HB      SER  48  -6.188  -0.988 -12.651
  326    HB3  SER  48           2HB      SER  48  -5.027  -1.630 -11.490
  327    HG   SER  48           HG       SER  48  -5.818   0.485 -10.958
  328    H    GLY  49           H        GLY  49  -3.582  -1.121 -15.814
  329    HA2  GLY  49           1HA      GLY  49  -5.230   0.982 -16.775
  330    HA3  GLY  49           2HA      GLY  49  -3.579   1.548 -16.575
  331    HA   PRO  50           HA       PRO  50  -4.319  -1.135 -20.521
  332    HB2  PRO  50           1HB      PRO  50  -5.272   0.699 -22.280
  333    HB3  PRO  50           2HB      PRO  50  -6.324  -0.321 -21.291
  334    HG2  PRO  50           1HG      PRO  50  -5.487   2.520 -20.856
  335    HG3  PRO  50           2HG      PRO  50  -7.087   1.783 -20.658
  336    HD2  PRO  50           1HD      PRO  50  -5.445   2.285 -18.564
  337    HD3  PRO  50           2HD      PRO  50  -6.568   0.910 -18.589
  338    H    SER  51           H        SER  51  -3.378  -0.532 -22.785
  339    HA   SER  51           HA       SER  51  -0.731  -0.012 -22.632
  340    HB2  SER  51           1HB      SER  51  -2.501   0.856 -24.931
  341    HB3  SER  51           2HB      SER  51  -0.765   0.555 -25.012
  342    HG   SER  51           HG       SER  51  -1.105  -1.561 -24.891
  343    H    SER  52           H        SER  52   0.232   1.616 -21.605
  344    HA   SER  52           HA       SER  52  -0.893   4.292 -21.673
  345    HB2  SER  52           1HB      SER  52   0.951   4.832 -20.089
  346    HB3  SER  52           2HB      SER  52  -0.050   3.488 -19.541
  347    HG   SER  52           HG       SER  52   1.584   2.155 -19.785
  348    H    GLY  53           H        GLY  53  -0.386   5.698 -23.207
  349    HA2  GLY  53           1HA      GLY  53   2.367   5.856 -24.166
  350    HA3  GLY  53           2HA      GLY  53   1.132   5.509 -25.368
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -23.918 -14.941  -3.524
    2    HA2  GLY   1           1HA      GLY   1 -22.407 -13.805  -5.024
    3    HA3  GLY   1           2HA      GLY   1 -23.662 -12.608  -5.307
    4    H    SER   2           H        SER   2 -21.392 -13.838  -2.897
    5    HA   SER   2           HA       SER   2 -21.768 -11.539  -1.185
    6    HB2  SER   2           1HB      SER   2 -19.845 -13.871  -1.062
    7    HB3  SER   2           2HB      SER   2 -19.911 -12.589   0.147
    8    HG   SER   2           HG       SER   2 -21.701 -13.406   0.926
    9    H    SER   3           H        SER   3 -19.757 -10.354  -0.419
   10    HA   SER   3           HA       SER   3 -17.996  -9.779  -2.711
   11    HB2  SER   3           1HB      SER   3 -18.041  -7.432  -2.158
   12    HB3  SER   3           2HB      SER   3 -19.708  -7.993  -2.284
   13    HG   SER   3           HG       SER   3 -19.926  -7.882  -0.122
   14    H    GLY   4           H        GLY   4 -15.888  -9.970  -2.321
   15    HA2  GLY   4           1HA      GLY   4 -14.881  -9.551   0.399
   16    HA3  GLY   4           2HA      GLY   4 -14.585 -11.111  -0.354
   17    H    SER   5           H        SER   5 -13.235 -11.212  -2.218
   18    HA   SER   5           HA       SER   5 -11.900  -8.950  -3.277
   19    HB2  SER   5           1HB      SER   5  -9.617  -9.505  -2.361
   20    HB3  SER   5           2HB      SER   5 -10.738  -8.829  -1.179
   21    HG   SER   5           HG       SER   5 -10.686 -11.599  -1.436
   22    H    SER   6           H        SER   6 -11.567  -9.568  -5.296
   23    HA   SER   6           HA       SER   6 -11.020 -12.395  -5.854
   24    HB2  SER   6           1HB      SER   6 -12.949 -11.083  -6.967
   25    HB3  SER   6           2HB      SER   6 -11.685 -10.320  -7.932
   26    HG   SER   6           HG       SER   6 -11.713 -12.038  -9.120
   27    H    GLY   7           H        GLY   7  -8.899 -10.923  -4.812
   28    HA2  GLY   7           1HA      GLY   7  -6.626 -11.408  -5.694
   29    HA3  GLY   7           2HA      GLY   7  -7.154 -10.634  -7.181
   30    H    GLU   8           H        GLU   8  -7.766  -9.558  -3.870
   31    HA   GLU   8           HA       GLU   8  -6.652  -6.960  -4.542
   32    HB2  GLU   8           1HB      GLU   8  -8.849  -7.417  -3.242
   33    HB3  GLU   8           2HB      GLU   8  -7.793  -7.702  -1.865
   34    HG2  GLU   8           1HG      GLU   8  -6.800  -5.407  -2.378
   35    HG3  GLU   8           2HG      GLU   8  -8.210  -5.169  -3.408
   36    H    SER   9           H        SER   9  -4.659  -6.346  -4.045
   37    HA   SER   9           HA       SER   9  -3.206  -7.851  -1.968
   38    HB2  SER   9           1HB      SER   9  -2.144  -6.564  -4.494
   39    HB3  SER   9           2HB      SER   9  -1.132  -7.268  -3.233
   40    HG   SER   9           HG       SER   9  -1.951  -8.564  -5.218
   41    H    LEU  10           H        LEU  10  -1.423  -6.600  -0.932
   42    HA   LEU  10           HA       LEU  10  -1.835  -3.713  -0.870
   43    HB2  LEU  10           1HB      LEU  10  -1.873  -5.375   1.642
   44    HB3  LEU  10           2HB      LEU  10  -2.063  -3.627   1.523
   45    HG   LEU  10           HG       LEU  10  -4.035  -5.465   0.215
   46   HD11  LEU  10          1HD1      LEU  10  -5.143  -4.650   2.635
   47   HD12  LEU  10          2HD1      LEU  10  -3.534  -5.242   3.045
   48   HD13  LEU  10          3HD1      LEU  10  -4.663  -6.284   2.180
   49   HD21  LEU  10          1HD2      LEU  10  -3.809  -2.605   0.884
   50   HD22  LEU  10          2HD2      LEU  10  -5.391  -3.334   1.163
   51   HD23  LEU  10          3HD2      LEU  10  -4.659  -3.401  -0.441
   52    H    CYS  11           H        CYS  11  -0.084  -2.541   0.046
   53    HA   CYS  11           HA       CYS  11   2.454  -3.570  -0.532
   54    HB2  CYS  11           1HB      CYS  11   1.575  -1.100  -0.208
   55    HB3  CYS  11           2HB      CYS  11   2.155  -1.341   1.437
   56    HA   PRO  12           HA       PRO  12   3.324  -6.000   3.054
   57    HB2  PRO  12           1HB      PRO  12   6.000  -6.255   2.673
   58    HB3  PRO  12           2HB      PRO  12   4.805  -7.143   1.720
   59    HG2  PRO  12           1HG      PRO  12   6.308  -4.648   1.026
   60    HG3  PRO  12           2HG      PRO  12   5.963  -6.065   0.016
   61    HD2  PRO  12           1HD      PRO  12   4.540  -3.768  -0.161
   62    HD3  PRO  12           2HD      PRO  12   3.819  -5.363  -0.456
   63    H    GLN  13           H        GLN  13   4.021  -2.805   2.682
   64    HA   GLN  13           HA       GLN  13   5.288  -2.664   5.335
   65    HB2  GLN  13           1HB      GLN  13   6.816  -2.080   3.381
   66    HB3  GLN  13           2HB      GLN  13   5.797  -0.669   3.133
   67    HG2  GLN  13           1HG      GLN  13   6.280  -0.152   5.605
   68    HG3  GLN  13           2HG      GLN  13   7.602  -1.306   5.430
   69   HE21  GLN  13          1HE2      GLN  13   8.927   0.567   5.947
   70   HE22  GLN  13          2HE2      GLN  13   9.388   1.644   4.677
   71    H    HIS  14           H        HIS  14   3.250  -1.040   2.944
   72    HA   HIS  14           HA       HIS  14   2.167   0.683   5.058
   73    HB2  HIS  14           1HB      HIS  14   1.739   0.858   2.069
   74    HB3  HIS  14           2HB      HIS  14   1.240   2.045   3.270
   75    HD2  HIS  14           2HD      HIS  14   3.483   3.407   4.527
   76    HE1  HIS  14           1HE      HIS  14   6.086   2.553   1.288
   77    HE2  HIS  14           2HE      HIS  14   5.771   3.868   3.413
   78    H    HIS  15           H        HIS  15   1.457  -2.094   3.224
   79    HA   HIS  15           HA       HIS  15  -0.390  -3.406   2.989
   80    HB2  HIS  15           1HB      HIS  15  -1.470  -2.070   5.464
   81    HB3  HIS  15           2HB      HIS  15  -1.713  -3.728   4.923
   82    HD1  HIS  15           1HD      HIS  15   0.016  -1.980   7.421
   83    HD2  HIS  15           2HD      HIS  15   1.070  -5.059   4.838
   84    HE1  HIS  15           1HE      HIS  15   2.008  -3.093   8.479
   85    H    GLU  16           H        GLU  16  -0.451  -1.001   1.534
   86    HA   GLU  16           HA       GLU  16  -3.307  -0.286   1.637
   87    HB2  GLU  16           1HB      GLU  16  -0.863   1.278   0.909
   88    HB3  GLU  16           2HB      GLU  16  -2.398   1.695   0.161
   89    HG2  GLU  16           1HG      GLU  16  -3.309   1.768   2.563
   90    HG3  GLU  16           2HG      GLU  16  -1.615   1.829   3.044
   91    H    ALA  17           H        ALA  17  -4.445  -0.071  -0.347
   92    HA   ALA  17           HA       ALA  17  -4.266  -2.105  -2.136
   93    HB1  ALA  17           1HB      ALA  17  -6.206  -0.734  -2.121
   94    HB2  ALA  17           2HB      ALA  17  -5.280   0.693  -2.588
   95    HB3  ALA  17           3HB      ALA  17  -5.510  -0.624  -3.738
   96    H    LEU  18           H        LEU  18  -2.787  -2.736  -3.552
   97    HA   LEU  18           HA       LEU  18  -0.660  -0.954  -4.353
   98    HB2  LEU  18           1HB      LEU  18  -1.220  -3.836  -5.032
   99    HB3  LEU  18           2HB      LEU  18   0.224  -2.953  -5.522
  100    HG   LEU  18           HG       LEU  18  -0.506  -3.311  -2.630
  101   HD11  LEU  18          1HD1      LEU  18  -0.208  -5.508  -2.916
  102   HD12  LEU  18          2HD1      LEU  18   1.499  -5.104  -3.092
  103   HD13  LEU  18          3HD1      LEU  18   0.488  -5.303  -4.523
  104   HD21  LEU  18          1HD2      LEU  18   1.447  -1.834  -3.952
  105   HD22  LEU  18          2HD2      LEU  18   2.290  -3.261  -3.348
  106   HD23  LEU  18          3HD2      LEU  18   1.395  -2.228  -2.233
  107    H    SER  19           H        SER  19  -1.217   0.513  -5.853
  108    HA   SER  19           HA       SER  19  -2.389  -0.499  -8.357
  109    HB2  SER  19           1HB      SER  19  -3.083   2.029  -6.859
  110    HB3  SER  19           2HB      SER  19  -3.484   1.793  -8.560
  111    HG   SER  19           HG       SER  19  -4.230  -0.073  -6.572
  112    H    LEU  20           H        LEU  20   0.399  -0.017  -7.539
  113    HA   LEU  20           HA       LEU  20   1.152   1.639  -9.808
  114    HB2  LEU  20           1HB      LEU  20   2.135   2.169  -7.009
  115    HB3  LEU  20           2HB      LEU  20   2.804   2.896  -8.467
  116    HG   LEU  20           HG       LEU  20  -0.067   3.268  -7.646
  117   HD11  LEU  20          1HD1      LEU  20   1.097   4.150  -5.809
  118   HD12  LEU  20          2HD1      LEU  20   0.769   5.534  -6.851
  119   HD13  LEU  20          3HD1      LEU  20   2.377   4.810  -6.827
  120   HD21  LEU  20          1HD2      LEU  20   0.278   5.350  -9.043
  121   HD22  LEU  20          2HD2      LEU  20   0.263   3.819  -9.918
  122   HD23  LEU  20          3HD2      LEU  20   1.794   4.627  -9.579
  123    H    PHE  21           H        PHE  21   3.392   1.366 -10.433
  124    HA   PHE  21           HA       PHE  21   4.780  -0.899  -9.211
  125    HB2  PHE  21           1HB      PHE  21   3.554  -1.973 -10.966
  126    HB3  PHE  21           2HB      PHE  21   3.986  -0.715 -12.119
  127    HD1  PHE  21           2HD      PHE  21   6.224  -0.624 -13.079
  128    HD2  PHE  21           1HD      PHE  21   5.080  -3.735 -10.409
  129    HE1  PHE  21           2HE      PHE  21   8.177  -1.943 -13.784
  130    HE2  PHE  21           1HE      PHE  21   7.033  -5.059 -11.109
  131    HZ   PHE  21           HZ       PHE  21   8.584  -4.163 -12.800
  132    H    CYS  22           H        CYS  22   6.976  -0.765  -9.284
  133    HA   CYS  22           HA       CYS  22   8.083   1.660 -10.530
  134    HB2  CYS  22           1HB      CYS  22   8.234   1.288  -7.994
  135    HB3  CYS  22           2HB      CYS  22   9.419   0.041  -8.369
  136    H    TYR  23           H        TYR  23   9.306   1.400 -12.267
  137    HA   TYR  23           HA       TYR  23  10.006  -1.128 -13.300
  138    HB2  TYR  23           1HB      TYR  23  10.534   1.700 -14.032
  139    HB3  TYR  23           2HB      TYR  23  11.630   0.494 -14.697
  140    HD1  TYR  23           1HD      TYR  23   7.962   1.088 -14.280
  141    HD2  TYR  23           2HD      TYR  23  11.078  -0.477 -16.718
  142    HE1  TYR  23           1HE      TYR  23   6.321   0.577 -16.038
  143    HE2  TYR  23           2HE      TYR  23   9.445  -0.991 -18.484
  144    HH   TYR  23           HH       TYR  23   6.536  -1.418 -18.231
  145    H    GLU  24           H        GLU  24  12.212   1.477 -12.256
  146    HA   GLU  24           HA       GLU  24  14.587   0.192 -12.275
  147    HB2  GLU  24           1HB      GLU  24  13.888   2.577 -11.393
  148    HB3  GLU  24           2HB      GLU  24  13.952   1.784  -9.826
  149    HG2  GLU  24           1HG      GLU  24  16.286   1.052 -10.420
  150    HG3  GLU  24           2HG      GLU  24  16.181   2.133 -11.808
  151    H    ASP  25           H        ASP  25  12.381   0.176  -9.472
  152    HA   ASP  25           HA       ASP  25  13.906  -1.820  -8.096
  153    HB2  ASP  25           1HB      ASP  25  11.102  -0.810  -7.567
  154    HB3  ASP  25           2HB      ASP  25  12.065  -1.790  -6.465
  155    H    GLN  26           H        GLN  26  11.499  -1.876 -10.514
  156    HA   GLN  26           HA       GLN  26  10.305  -3.536 -11.513
  157    HB2  GLN  26           1HB      GLN  26  12.831  -4.387 -11.417
  158    HB3  GLN  26           2HB      GLN  26  12.105  -5.631 -10.407
  159    HG2  GLN  26           1HG      GLN  26  11.894  -6.648 -12.413
  160    HG3  GLN  26           2HG      GLN  26  10.388  -5.732 -12.421
  161   HE21  GLN  26          1HE2      GLN  26  10.220  -3.893 -13.721
  162   HE22  GLN  26          2HE2      GLN  26  11.306  -3.604 -15.033
  163    H    GLU  27           H        GLU  27   9.312  -2.779  -9.036
  164    HA   GLU  27           HA       GLU  27   8.014  -5.266  -8.214
  165    HB2  GLU  27           1HB      GLU  27   8.313  -4.858  -5.873
  166    HB3  GLU  27           2HB      GLU  27   9.898  -4.806  -6.632
  167    HG2  GLU  27           1HG      GLU  27   9.798  -2.352  -6.632
  168    HG3  GLU  27           2HG      GLU  27   8.238  -2.432  -5.815
  169    H    ALA  28           H        ALA  28   5.982  -4.939  -7.122
  170    HA   ALA  28           HA       ALA  28   4.585  -2.620  -8.140
  171    HB1  ALA  28           1HB      ALA  28   3.276  -4.651  -6.394
  172    HB2  ALA  28           2HB      ALA  28   2.635  -3.781  -7.788
  173    HB3  ALA  28           3HB      ALA  28   3.776  -5.106  -8.023
  174    H    VAL  29           H        VAL  29   4.507  -0.782  -7.041
  175    HA   VAL  29           HA       VAL  29   4.787  -0.836  -4.123
  176    HB   VAL  29           HB       VAL  29   5.203   1.586  -4.296
  177   HG11  VAL  29          1HG1      VAL  29   6.938  -0.382  -4.765
  178   HG12  VAL  29          2HG1      VAL  29   7.051   0.454  -6.315
  179   HG13  VAL  29          3HG1      VAL  29   7.397   1.320  -4.818
  180   HG21  VAL  29          1HG2      VAL  29   5.752   2.063  -6.943
  181   HG22  VAL  29          2HG2      VAL  29   4.260   1.125  -7.018
  182   HG23  VAL  29          3HG2      VAL  29   4.319   2.615  -6.076
  183    H    CYS  30           H        CYS  30   3.595   1.322  -3.218
  184    HA   CYS  30           HA       CYS  30   0.797   1.162  -4.125
  185    HB2  CYS  30           1HB      CYS  30   0.011   1.157  -1.884
  186    HB3  CYS  30           2HB      CYS  30   1.286  -0.055  -1.951
  187    H    LEU  31           H        LEU  31  -0.521   3.052  -3.496
  188    HA   LEU  31           HA       LEU  31   0.301   5.411  -4.479
  189    HB2  LEU  31           1HB      LEU  31  -1.974   4.706  -3.462
  190    HB3  LEU  31           2HB      LEU  31  -1.353   5.433  -1.983
  191    HG   LEU  31           HG       LEU  31  -2.852   6.906  -3.334
  192   HD11  LEU  31          1HD1      LEU  31  -0.014   7.812  -2.878
  193   HD12  LEU  31          2HD1      LEU  31  -1.349   7.879  -1.728
  194   HD13  LEU  31          3HD1      LEU  31  -1.380   8.889  -3.173
  195   HD21  LEU  31          1HD2      LEU  31  -1.722   6.023  -5.516
  196   HD22  LEU  31          2HD2      LEU  31  -0.574   7.329  -5.217
  197   HD23  LEU  31          3HD2      LEU  31  -2.289   7.690  -5.423
  198    H    ILE  32           H        ILE  32   0.424   4.686  -0.986
  199    HA   ILE  32           HA       ILE  32   1.661   6.917  -0.042
  200    HB   ILE  32           HB       ILE  32   2.438   4.135   0.830
  201   HG12  ILE  32          1HG1      ILE  32   0.075   4.121   0.878
  202   HG13  ILE  32          2HG1      ILE  32   0.556   4.515   2.524
  203   HG21  ILE  32          1HG2      ILE  32   2.124   6.263   2.815
  204   HG22  ILE  32          2HG2      ILE  32   3.406   5.067   2.623
  205   HG23  ILE  32          3HG2      ILE  32   3.423   6.540   1.654
  206   HD11  ILE  32          1HD1      ILE  32   0.039   6.823   2.185
  207   HD12  ILE  32          2HD1      ILE  32  -0.254   6.552   0.467
  208   HD13  ILE  32          3HD1      ILE  32  -1.341   5.855   1.669
  209    H    CYS  33           H        CYS  33   3.418   4.001  -1.117
  210    HA   CYS  33           HA       CYS  33   5.992   4.823  -0.894
  211    HB2  CYS  33           1HB      CYS  33   4.655   3.166  -3.018
  212    HB3  CYS  33           2HB      CYS  33   6.388   3.474  -3.066
  213    H    ALA  34           H        ALA  34   3.928   5.428  -3.734
  214    HA   ALA  34           HA       ALA  34   5.609   6.797  -5.367
  215    HB1  ALA  34           1HB      ALA  34   3.766   7.357  -6.510
  216    HB2  ALA  34           2HB      ALA  34   2.916   6.386  -5.308
  217    HB3  ALA  34           3HB      ALA  34   3.019   8.136  -5.116
  218    H    ILE  35           H        ILE  35   3.552   8.415  -2.936
  219    HA   ILE  35           HA       ILE  35   5.134  10.827  -3.131
  220    HB   ILE  35           HB       ILE  35   3.585  11.736  -1.444
  221   HG12  ILE  35          1HG1      ILE  35   2.256   9.021  -1.584
  222   HG13  ILE  35          2HG1      ILE  35   3.205   9.608  -0.223
  223   HG21  ILE  35          1HG2      ILE  35   1.435  11.038  -2.945
  224   HG22  ILE  35          2HG2      ILE  35   2.623  12.256  -3.405
  225   HG23  ILE  35          3HG2      ILE  35   2.762  10.612  -4.026
  226   HD11  ILE  35          1HD1      ILE  35   1.345  10.441   0.628
  227   HD12  ILE  35          2HD1      ILE  35   1.278  11.574  -0.722
  228   HD13  ILE  35          3HD1      ILE  35   0.442  10.025  -0.828
  229    H    SER  36           H        SER  36   6.531   8.498  -2.194
  230    HA   SER  36           HA       SER  36   7.258   9.433   0.503
  231    HB2  SER  36           1HB      SER  36   6.025   7.165   0.353
  232    HB3  SER  36           2HB      SER  36   7.532   6.553  -0.329
  233    HG   SER  36           HG       SER  36   8.585   7.099   1.560
  234    H    HIS  37           H        HIS  37   9.342   9.921   0.782
  235    HA   HIS  37           HA       HIS  37  11.171  10.407  -1.095
  236    HB2  HIS  37           1HB      HIS  37  12.955   9.748   0.661
  237    HB3  HIS  37           2HB      HIS  37  11.799  11.011   1.076
  238    HD1  HIS  37           1HD      HIS  37  10.417  10.652   3.131
  239    HD2  HIS  37           2HD      HIS  37  12.347   7.188   1.890
  240    HE1  HIS  37           1HE      HIS  37  10.020   8.969   4.958
  241    H    THR  38           H        THR  38  10.494   7.219   0.230
  242    HA   THR  38           HA       THR  38  12.616   5.766  -0.787
  243    HB   THR  38           HB       THR  38   9.748   4.819  -0.625
  244    HG1  THR  38           1HG      THR  38  10.275   5.474   1.406
  245   HG21  THR  38          1HG2      THR  38  10.512   2.663  -0.791
  246   HG22  THR  38          2HG2      THR  38  12.113   3.066  -0.169
  247   HG23  THR  38          3HG2      THR  38  11.682   3.477  -1.829
  248    H    HIS  39           H        HIS  39   9.403   6.040  -2.323
  249    HA   HIS  39           HA       HIS  39  10.730   5.655  -4.926
  250    HB2  HIS  39           1HB      HIS  39   7.951   4.858  -4.043
  251    HB3  HIS  39           2HB      HIS  39   8.524   4.759  -5.706
  252    HD2  HIS  39           2HD      HIS  39   9.145   2.982  -2.263
  253    HE1  HIS  39           1HE      HIS  39  10.786   0.600  -5.366
  254    HE2  HIS  39           2HE      HIS  39  10.184   0.707  -2.923
  255    H    ARG  40           H        ARG  40  10.717   8.185  -3.980
  256    HA   ARG  40           HA       ARG  40   8.394   9.563  -5.080
  257    HB2  ARG  40           1HB      ARG  40   9.633  10.139  -2.860
  258    HB3  ARG  40           2HB      ARG  40  10.788  10.942  -3.914
  259    HG2  ARG  40           1HG      ARG  40   9.331  12.595  -4.488
  260    HG3  ARG  40           2HG      ARG  40   7.911  11.570  -4.273
  261    HD2  ARG  40           1HD      ARG  40   8.414  11.630  -1.792
  262    HD3  ARG  40           2HD      ARG  40   9.578  12.904  -2.154
  263    HE   ARG  40           HE       ARG  40   6.999  13.470  -3.233
  264   HH11  ARG  40          2HH1      ARG  40   8.895  13.543  -0.315
  265   HH12  ARG  40          1HH1      ARG  40   7.974  14.821   0.407
  266   HH21  ARG  40          2HH2      ARG  40   5.779  15.153  -2.294
  267   HH22  ARG  40          1HH2      ARG  40   6.201  15.735  -0.719
  268    H    ALA  41           H        ALA  41  11.916   9.453  -5.528
  269    HA   ALA  41           HA       ALA  41  11.622  10.924  -8.047
  270    HB1  ALA  41           1HB      ALA  41  13.890  11.466  -7.918
  271    HB2  ALA  41           2HB      ALA  41  13.332  11.559  -6.248
  272    HB3  ALA  41           3HB      ALA  41  14.236  10.149  -6.797
  273    H    HIS  42           H        HIS  42  10.672   8.266  -7.971
  274    HA   HIS  42           HA       HIS  42  12.660   6.878  -9.646
  275    HB2  HIS  42           1HB      HIS  42  10.672   5.866  -7.652
  276    HB3  HIS  42           2HB      HIS  42  11.115   4.838  -9.012
  277    HD2  HIS  42           2HD      HIS  42  14.165   6.775  -7.902
  278    HE1  HIS  42           1HE      HIS  42  14.295   3.077  -5.827
  279    HE2  HIS  42           2HE      HIS  42  15.539   5.195  -6.382
  280    H    THR  43           H        THR  43  11.383   5.143 -11.058
  281    HA   THR  43           HA       THR  43   9.448   6.712 -12.606
  282    HB   THR  43           HB       THR  43  10.998   4.243 -13.413
  283    HG1  THR  43           1HG      THR  43  12.204   5.744 -14.654
  284   HG21  THR  43          1HG2      THR  43   9.732   6.034 -15.407
  285   HG22  THR  43          2HG2      THR  43   8.657   4.983 -14.484
  286   HG23  THR  43          3HG2      THR  43   9.965   4.286 -15.440
  287    H    VAL  44           H        VAL  44   7.706   6.235 -11.124
  288    HA   VAL  44           HA       VAL  44   6.793   3.459 -11.057
  289    HB   VAL  44           HB       VAL  44   5.711   5.906  -9.653
  290   HG11  VAL  44          1HG1      VAL  44   4.491   4.130  -8.293
  291   HG12  VAL  44          2HG1      VAL  44   3.879   4.457  -9.915
  292   HG13  VAL  44          3HG1      VAL  44   4.863   3.024  -9.614
  293   HG21  VAL  44          1HG2      VAL  44   6.769   3.753  -8.015
  294   HG22  VAL  44          2HG2      VAL  44   7.985   4.438  -9.092
  295   HG23  VAL  44          3HG2      VAL  44   7.114   5.482  -7.968
  296    H    VAL  45           H        VAL  45   5.125   2.713 -12.219
  297    HA   VAL  45           HA       VAL  45   3.568   4.662 -13.791
  298    HB   VAL  45           HB       VAL  45   3.326   3.021 -15.536
  299   HG11  VAL  45          1HG1      VAL  45   5.676   4.290 -14.907
  300   HG12  VAL  45          2HG1      VAL  45   6.193   2.624 -15.175
  301   HG13  VAL  45          3HG1      VAL  45   5.317   3.492 -16.437
  302   HG21  VAL  45          1HG2      VAL  45   4.221   0.815 -15.446
  303   HG22  VAL  45          2HG2      VAL  45   5.040   1.143 -13.919
  304   HG23  VAL  45          3HG2      VAL  45   3.279   1.055 -13.974
  305    HA   PRO  46           HA       PRO  46  -0.059   3.181 -11.782
  306    HB2  PRO  46           1HB      PRO  46  -1.901   3.892 -13.646
  307    HB3  PRO  46           2HB      PRO  46  -1.095   5.064 -12.597
  308    HG2  PRO  46           1HG      PRO  46  -0.487   4.330 -15.435
  309    HG3  PRO  46           2HG      PRO  46  -0.537   5.934 -14.680
  310    HD2  PRO  46           1HD      PRO  46   1.782   4.617 -15.151
  311    HD3  PRO  46           2HD      PRO  46   1.568   5.708 -13.767
  312    H    LEU  47           H        LEU  47  -0.821   1.175 -11.608
  313    HA   LEU  47           HA       LEU  47  -0.776  -0.576 -13.949
  314    HB2  LEU  47           1HB      LEU  47  -0.873  -1.033 -10.993
  315    HB3  LEU  47           2HB      LEU  47  -1.338  -2.314 -12.110
  316    HG   LEU  47           HG       LEU  47   1.366  -0.996 -11.894
  317   HD11  LEU  47          1HD1      LEU  47   1.780  -3.629 -11.570
  318   HD12  LEU  47          2HD1      LEU  47   0.167  -3.489 -10.872
  319   HD13  LEU  47          3HD1      LEU  47   1.492  -2.516 -10.233
  320   HD21  LEU  47          1HD2      LEU  47   1.896  -2.949 -13.536
  321   HD22  LEU  47          2HD2      LEU  47   1.247  -1.430 -14.154
  322   HD23  LEU  47          3HD2      LEU  47   0.184  -2.822 -13.940
  323    H    SER  48           H        SER  48  -2.726   0.989 -14.494
  324    HA   SER  48           HA       SER  48  -5.056  -0.616 -14.428
  325    HB2  SER  48           1HB      SER  48  -5.341   0.163 -12.168
  326    HB3  SER  48           2HB      SER  48  -5.037   1.832 -12.651
  327    HG   SER  48           HG       SER  48  -7.346   0.796 -12.434
  328    H    GLY  49           H        GLY  49  -6.382  -0.087 -16.084
  329    HA2  GLY  49           1HA      GLY  49  -5.543   1.706 -18.056
  330    HA3  GLY  49           2HA      GLY  49  -7.149   0.998 -17.955
  331    HA   PRO  50           HA       PRO  50  -7.063   5.673 -16.987
  332    HB2  PRO  50           1HB      PRO  50  -7.933   6.616 -19.379
  333    HB3  PRO  50           2HB      PRO  50  -6.220   6.425 -18.988
  334    HG2  PRO  50           1HG      PRO  50  -8.014   4.625 -20.570
  335    HG3  PRO  50           2HG      PRO  50  -6.345   5.120 -20.908
  336    HD2  PRO  50           1HD      PRO  50  -6.959   2.716 -19.823
  337    HD3  PRO  50           2HD      PRO  50  -5.457   3.581 -19.440
  338    H    SER  51           H        SER  51  -9.060   7.194 -17.596
  339    HA   SER  51           HA       SER  51 -11.339   5.954 -16.483
  340    HB2  SER  51           1HB      SER  51 -12.482   8.100 -16.983
  341    HB3  SER  51           2HB      SER  51 -10.927   8.337 -16.186
  342    HG   SER  51           HG       SER  51 -10.165   8.485 -18.524
  343    H    SER  52           H        SER  52 -10.610   7.031 -19.789
  344    HA   SER  52           HA       SER  52 -13.023   5.669 -20.743
  345    HB2  SER  52           1HB      SER  52 -11.162   7.646 -22.075
  346    HB3  SER  52           2HB      SER  52 -12.490   6.841 -22.911
  347    HG   SER  52           HG       SER  52 -13.895   8.051 -21.876
  348    H    GLY  53           H        GLY  53 -12.049   3.558 -20.355
  349    HA2  GLY  53           1HA      GLY  53  -9.707   2.732 -21.752
  350    HA3  GLY  53           2HA      GLY  53 -10.883   1.676 -20.985
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -7.818 -21.542   6.404
    2    HA2  GLY   1           1HA      GLY   1  -9.831 -22.091   7.360
    3    HA3  GLY   1           2HA      GLY   1  -9.423 -20.899   8.585
    4    H    SER   2           H        SER   2 -11.892 -20.823   8.449
    5    HA   SER   2           HA       SER   2 -13.443 -19.894   6.462
    6    HB2  SER   2           1HB      SER   2 -14.800 -18.709   8.141
    7    HB3  SER   2           2HB      SER   2 -14.276 -20.282   8.740
    8    HG   SER   2           HG       SER   2 -12.483 -19.046   9.729
    9    H    SER   3           H        SER   3 -12.844 -18.482   4.938
   10    HA   SER   3           HA       SER   3 -12.662 -15.714   5.540
   11    HB2  SER   3           1HB      SER   3 -10.359 -15.311   4.790
   12    HB3  SER   3           2HB      SER   3 -10.380 -16.351   6.213
   13    HG   SER   3           HG       SER   3 -10.283 -18.135   4.627
   14    H    GLY   4           H        GLY   4 -12.418 -14.387   3.600
   15    HA2  GLY   4           1HA      GLY   4 -12.619 -15.797   1.050
   16    HA3  GLY   4           2HA      GLY   4 -14.020 -14.858   1.546
   17    H    SER   5           H        SER   5 -11.538 -14.738  -0.466
   18    HA   SER   5           HA       SER   5 -11.330 -11.812  -0.272
   19    HB2  SER   5           1HB      SER   5  -9.098 -13.802  -0.632
   20    HB3  SER   5           2HB      SER   5  -8.938 -12.134  -1.179
   21    HG   SER   5           HG       SER   5  -9.203 -11.436   0.918
   22    H    SER   6           H        SER   6 -11.266 -10.703  -2.209
   23    HA   SER   6           HA       SER   6 -11.929 -12.313  -4.580
   24    HB2  SER   6           1HB      SER   6 -12.672  -9.506  -3.768
   25    HB3  SER   6           2HB      SER   6 -12.851 -10.071  -5.429
   26    HG   SER   6           HG       SER   6 -14.430 -10.534  -3.292
   27    H    GLY   7           H        GLY   7  -9.252 -12.119  -3.930
   28    HA2  GLY   7           1HA      GLY   7  -7.229 -11.647  -4.909
   29    HA3  GLY   7           2HA      GLY   7  -8.138 -11.163  -6.333
   30    H    GLU   8           H        GLU   8  -6.114 -10.118  -3.884
   31    HA   GLU   8           HA       GLU   8  -6.171  -7.422  -4.816
   32    HB2  GLU   8           1HB      GLU   8  -6.814  -6.346  -2.712
   33    HB3  GLU   8           2HB      GLU   8  -8.127  -7.325  -3.353
   34    HG2  GLU   8           1HG      GLU   8  -7.950  -8.901  -1.689
   35    HG3  GLU   8           2HG      GLU   8  -6.267  -8.505  -1.347
   36    H    SER   9           H        SER   9  -4.305  -6.348  -4.328
   37    HA   SER   9           HA       SER   9  -2.396  -7.779  -2.596
   38    HB2  SER   9           1HB      SER   9  -1.850  -6.138  -5.081
   39    HB3  SER   9           2HB      SER   9  -0.606  -6.826  -4.038
   40    HG   SER   9           HG       SER   9  -1.740  -7.994  -6.058
   41    H    LEU  10           H        LEU  10  -1.322  -6.656  -1.054
   42    HA   LEU  10           HA       LEU  10  -1.715  -3.743  -0.951
   43    HB2  LEU  10           1HB      LEU  10  -1.818  -5.571   1.439
   44    HB3  LEU  10           2HB      LEU  10  -2.111  -3.833   1.413
   45    HG   LEU  10           HG       LEU  10  -3.865  -5.915   0.110
   46   HD11  LEU  10          1HD1      LEU  10  -4.385  -6.269   2.291
   47   HD12  LEU  10          2HD1      LEU  10  -5.411  -4.866   1.999
   48   HD13  LEU  10          3HD1      LEU  10  -3.851  -4.666   2.797
   49   HD21  LEU  10          1HD2      LEU  10  -4.737  -4.215  -1.017
   50   HD22  LEU  10          2HD2      LEU  10  -3.659  -3.075  -0.212
   51   HD23  LEU  10          3HD2      LEU  10  -5.212  -3.485   0.517
   52    H    CYS  11           H        CYS  11  -0.035  -2.540  -0.086
   53    HA   CYS  11           HA       CYS  11   2.557  -3.430  -0.479
   54    HB2  CYS  11           1HB      CYS  11   1.621  -1.025  -0.160
   55    HB3  CYS  11           2HB      CYS  11   1.945  -1.300   1.548
   56    HA   PRO  12           HA       PRO  12   3.333  -6.004   3.028
   57    HB2  PRO  12           1HB      PRO  12   6.033  -6.141   2.778
   58    HB3  PRO  12           2HB      PRO  12   4.924  -7.025   1.722
   59    HG2  PRO  12           1HG      PRO  12   6.360  -4.445   1.226
   60    HG3  PRO  12           2HG      PRO  12   6.124  -5.822   0.134
   61    HD2  PRO  12           1HD      PRO  12   4.621  -3.574  -0.010
   62    HD3  PRO  12           2HD      PRO  12   3.980  -5.179  -0.417
   63    H    GLN  13           H        GLN  13   3.940  -2.770   2.834
   64    HA   GLN  13           HA       GLN  13   5.025  -2.710   5.568
   65    HB2  GLN  13           1HB      GLN  13   5.726  -0.830   3.307
   66    HB3  GLN  13           2HB      GLN  13   6.238  -0.634   4.978
   67    HG2  GLN  13           1HG      GLN  13   7.306  -2.935   4.743
   68    HG3  GLN  13           2HG      GLN  13   7.056  -2.740   3.009
   69   HE21  GLN  13          1HE2      GLN  13   9.088  -2.495   2.302
   70   HE22  GLN  13          2HE2      GLN  13  10.163  -1.242   2.808
   71    H    HIS  14           H        HIS  14   3.022  -1.177   3.120
   72    HA   HIS  14           HA       HIS  14   1.771   0.466   5.218
   73    HB2  HIS  14           1HB      HIS  14   1.551   0.868   2.232
   74    HB3  HIS  14           2HB      HIS  14   1.058   1.985   3.501
   75    HD2  HIS  14           2HD      HIS  14   3.294   3.180   4.910
   76    HE1  HIS  14           1HE      HIS  14   6.003   2.397   1.740
   77    HE2  HIS  14           2HE      HIS  14   5.647   3.603   3.922
   78    H    HIS  15           H        HIS  15   1.348  -2.396   3.783
   79    HA   HIS  15           HA       HIS  15  -0.452  -3.663   3.084
   80    HB2  HIS  15           1HB      HIS  15  -1.017  -2.503   5.765
   81    HB3  HIS  15           2HB      HIS  15  -2.329  -3.365   4.966
   82    HD1  HIS  15           1HD      HIS  15  -2.327  -5.839   5.211
   83    HD2  HIS  15           2HD      HIS  15   1.381  -4.176   6.077
   84    HE1  HIS  15           1HE      HIS  15  -0.921  -7.740   6.066
   85    H    GLU  16           H        GLU  16  -0.432  -1.077   1.824
   86    HA   GLU  16           HA       GLU  16  -3.286  -0.402   1.702
   87    HB2  GLU  16           1HB      GLU  16  -0.772   1.079   1.072
   88    HB3  GLU  16           2HB      GLU  16  -2.236   1.507   0.198
   89    HG2  GLU  16           1HG      GLU  16  -3.235   1.553   2.651
   90    HG3  GLU  16           2HG      GLU  16  -1.550   1.879   3.054
   91    H    ALA  17           H        ALA  17  -4.389  -0.319  -0.274
   92    HA   ALA  17           HA       ALA  17  -4.064  -2.377  -2.040
   93    HB1  ALA  17           1HB      ALA  17  -5.165  -0.306  -3.576
   94    HB2  ALA  17           2HB      ALA  17  -6.025  -1.551  -2.668
   95    HB3  ALA  17           3HB      ALA  17  -5.663   0.001  -1.912
   96    H    LEU  18           H        LEU  18  -2.601  -2.883  -3.525
   97    HA   LEU  18           HA       LEU  18  -0.655  -0.894  -4.363
   98    HB2  LEU  18           1HB      LEU  18  -0.821  -3.840  -4.979
   99    HB3  LEU  18           2HB      LEU  18   0.535  -2.780  -5.358
  100    HG   LEU  18           HG       LEU  18  -0.396  -3.596  -2.606
  101   HD11  LEU  18          1HD1      LEU  18   0.755  -5.407  -3.567
  102   HD12  LEU  18          2HD1      LEU  18   1.944  -4.574  -2.566
  103   HD13  LEU  18          3HD1      LEU  18   1.955  -4.354  -4.316
  104   HD21  LEU  18          1HD2      LEU  18   1.948  -2.442  -2.145
  105   HD22  LEU  18          2HD2      LEU  18   0.437  -1.532  -2.130
  106   HD23  LEU  18          3HD2      LEU  18   1.474  -1.497  -3.557
  107    H    SER  19           H        SER  19  -1.116   0.340  -6.054
  108    HA   SER  19           HA       SER  19  -2.458  -0.901  -8.366
  109    HB2  SER  19           1HB      SER  19  -3.884   0.750  -7.091
  110    HB3  SER  19           2HB      SER  19  -2.730   2.000  -7.557
  111    HG   SER  19           HG       SER  19  -3.234   0.928  -9.789
  112    H    LEU  20           H        LEU  20  -0.001   1.285  -7.191
  113    HA   LEU  20           HA       LEU  20   0.881   1.961  -9.878
  114    HB2  LEU  20           1HB      LEU  20   1.885   2.730  -7.145
  115    HB3  LEU  20           2HB      LEU  20   2.651   3.246  -8.646
  116    HG   LEU  20           HG       LEU  20  -0.200   3.893  -7.909
  117   HD11  LEU  20          1HD1      LEU  20   0.531   6.043  -7.207
  118   HD12  LEU  20          2HD1      LEU  20   2.190   5.711  -7.705
  119   HD13  LEU  20          3HD1      LEU  20   1.494   4.853  -6.330
  120   HD21  LEU  20          1HD2      LEU  20   1.049   3.965 -10.348
  121   HD22  LEU  20          2HD2      LEU  20   1.262   5.613  -9.758
  122   HD23  LEU  20          3HD2      LEU  20  -0.357   4.925  -9.885
  123    H    PHE  21           H        PHE  21   3.245   1.761 -10.377
  124    HA   PHE  21           HA       PHE  21   4.596  -0.471  -9.092
  125    HB2  PHE  21           1HB      PHE  21   3.402  -1.724 -10.703
  126    HB3  PHE  21           2HB      PHE  21   3.650  -0.507 -11.952
  127    HD1  PHE  21           2HD      PHE  21   6.003  -0.159 -12.830
  128    HD2  PHE  21           1HD      PHE  21   4.875  -3.514 -10.466
  129    HE1  PHE  21           2HE      PHE  21   7.979  -1.385 -13.633
  130    HE2  PHE  21           1HE      PHE  21   6.850  -4.745 -11.264
  131    HZ   PHE  21           HZ       PHE  21   8.404  -3.681 -12.851
  132    H    CYS  22           H        CYS  22   6.745  -0.195  -9.049
  133    HA   CYS  22           HA       CYS  22   7.840   2.106 -10.488
  134    HB2  CYS  22           1HB      CYS  22   8.084   1.603  -7.914
  135    HB3  CYS  22           2HB      CYS  22   9.393   0.557  -8.453
  136    H    TYR  23           H        TYR  23   9.607   1.974 -11.838
  137    HA   TYR  23           HA       TYR  23  10.029  -0.599 -13.081
  138    HB2  TYR  23           1HB      TYR  23  10.708   2.226 -13.719
  139    HB3  TYR  23           2HB      TYR  23  11.729   0.974 -14.417
  140    HD1  TYR  23           1HD      TYR  23   8.047   1.096 -13.803
  141    HD2  TYR  23           2HD      TYR  23  11.186   0.791 -16.659
  142    HE1  TYR  23           1HE      TYR  23   6.386   0.741 -15.582
  143    HE2  TYR  23           2HE      TYR  23   9.533   0.436 -18.446
  144    HH   TYR  23           HH       TYR  23   6.055   0.570 -17.785
  145    H    GLU  24           H        GLU  24  12.240   1.891 -11.790
  146    HA   GLU  24           HA       GLU  24  14.614   0.631 -11.836
  147    HB2  GLU  24           1HB      GLU  24  13.383   2.411  -9.771
  148    HB3  GLU  24           2HB      GLU  24  14.960   1.702  -9.458
  149    HG2  GLU  24           1HG      GLU  24  15.138   3.942 -10.405
  150    HG3  GLU  24           2HG      GLU  24  15.854   2.726 -11.461
  151    H    ASP  25           H        ASP  25  12.341   0.288  -9.107
  152    HA   ASP  25           HA       ASP  25  13.810  -1.830  -7.903
  153    HB2  ASP  25           1HB      ASP  25  10.901  -1.140  -7.456
  154    HB3  ASP  25           2HB      ASP  25  11.973  -2.003  -6.356
  155    H    GLN  26           H        GLN  26  11.114  -1.677 -10.146
  156    HA   GLN  26           HA       GLN  26  10.231  -3.257 -11.533
  157    HB2  GLN  26           1HB      GLN  26  12.753  -4.056 -11.409
  158    HB3  GLN  26           2HB      GLN  26  12.047  -5.392 -10.510
  159    HG2  GLN  26           1HG      GLN  26  11.948  -6.271 -12.592
  160    HG3  GLN  26           2HG      GLN  26  10.397  -5.433 -12.575
  161   HE21  GLN  26          1HE2      GLN  26  10.456  -3.171 -13.417
  162   HE22  GLN  26          2HE2      GLN  26  11.442  -2.866 -14.802
  163    H    GLU  27           H        GLU  27   9.195  -2.791  -8.932
  164    HA   GLU  27           HA       GLU  27   7.738  -5.287  -8.574
  165    HB2  GLU  27           1HB      GLU  27   8.052  -5.348  -6.176
  166    HB3  GLU  27           2HB      GLU  27   9.620  -5.393  -6.970
  167    HG2  GLU  27           1HG      GLU  27   9.948  -3.033  -6.501
  168    HG3  GLU  27           2HG      GLU  27   8.356  -2.948  -5.750
  169    H    ALA  28           H        ALA  28   5.719  -5.032  -7.497
  170    HA   ALA  28           HA       ALA  28   4.363  -2.651  -8.122
  171    HB1  ALA  28           1HB      ALA  28   3.566  -5.154  -7.569
  172    HB2  ALA  28           2HB      ALA  28   3.190  -4.373  -6.032
  173    HB3  ALA  28           3HB      ALA  28   2.486  -3.759  -7.528
  174    H    VAL  29           H        VAL  29   3.435  -1.064  -6.765
  175    HA   VAL  29           HA       VAL  29   4.395  -0.903  -4.013
  176    HB   VAL  29           HB       VAL  29   5.172   1.412  -4.289
  177   HG11  VAL  29          1HG1      VAL  29   7.290   0.847  -4.972
  178   HG12  VAL  29          2HG1      VAL  29   6.609  -0.752  -4.665
  179   HG13  VAL  29          3HG1      VAL  29   6.713  -0.138  -6.316
  180   HG21  VAL  29          1HG2      VAL  29   4.377   2.508  -6.071
  181   HG22  VAL  29          2HG2      VAL  29   5.691   1.740  -6.962
  182   HG23  VAL  29          3HG2      VAL  29   4.082   1.019  -6.969
  183    H    CYS  30           H        CYS  30   3.463   1.169  -2.965
  184    HA   CYS  30           HA       CYS  30   0.660   1.411  -3.830
  185    HB2  CYS  30           1HB      CYS  30   0.041   1.749  -1.556
  186    HB3  CYS  30           2HB      CYS  30   1.143   0.376  -1.571
  187    H    LEU  31           H        LEU  31  -0.374   3.525  -3.081
  188    HA   LEU  31           HA       LEU  31   0.772   5.664  -4.417
  189    HB2  LEU  31           1HB      LEU  31  -0.951   7.001  -3.547
  190    HB3  LEU  31           2HB      LEU  31  -1.627   5.380  -3.693
  191    HG   LEU  31           HG       LEU  31  -0.890   5.257  -1.143
  192   HD11  LEU  31          1HD1      LEU  31   0.103   7.375  -0.886
  193   HD12  LEU  31          2HD1      LEU  31  -1.479   7.498  -0.119
  194   HD13  LEU  31          3HD1      LEU  31  -1.221   8.187  -1.722
  195   HD21  LEU  31          1HD2      LEU  31  -3.347   6.793  -1.334
  196   HD22  LEU  31          2HD2      LEU  31  -3.092   5.125  -0.823
  197   HD23  LEU  31          3HD2      LEU  31  -3.260   5.506  -2.537
  198    H    ILE  32           H        ILE  32   0.967   4.788  -1.005
  199    HA   ILE  32           HA       ILE  32   2.271   7.126  -0.114
  200    HB   ILE  32           HB       ILE  32   2.475   4.347   1.053
  201   HG12  ILE  32          1HG1      ILE  32   0.545   6.572   1.742
  202   HG13  ILE  32          2HG1      ILE  32   0.135   5.160   0.776
  203   HG21  ILE  32          1HG2      ILE  32   2.894   7.041   2.341
  204   HG22  ILE  32          2HG2      ILE  32   3.034   5.470   3.128
  205   HG23  ILE  32          3HG2      ILE  32   4.175   5.928   1.864
  206   HD11  ILE  32          1HD1      ILE  32   1.056   3.892   2.901
  207   HD12  ILE  32          2HD1      ILE  32   0.594   5.401   3.690
  208   HD13  ILE  32          3HD1      ILE  32  -0.608   4.466   2.801
  209    H    CYS  33           H        CYS  33   3.446   4.129  -1.517
  210    HA   CYS  33           HA       CYS  33   6.196   4.563  -0.945
  211    HB2  CYS  33           1HB      CYS  33   4.651   2.727  -2.724
  212    HB3  CYS  33           2HB      CYS  33   6.381   2.906  -3.002
  213    H    ALA  34           H        ALA  34   4.122   5.304  -3.705
  214    HA   ALA  34           HA       ALA  34   6.132   6.180  -5.465
  215    HB1  ALA  34           1HB      ALA  34   3.833   5.651  -6.162
  216    HB2  ALA  34           2HB      ALA  34   3.263   7.099  -5.332
  217    HB3  ALA  34           3HB      ALA  34   4.349   7.245  -6.713
  218    H    ILE  35           H        ILE  35   4.110   7.975  -3.159
  219    HA   ILE  35           HA       ILE  35   5.356  10.488  -3.746
  220    HB   ILE  35           HB       ILE  35   4.083  11.370  -1.868
  221   HG12  ILE  35          1HG1      ILE  35   3.047   8.582  -1.367
  222   HG13  ILE  35          2HG1      ILE  35   4.414   9.246  -0.478
  223   HG21  ILE  35          1HG2      ILE  35   2.418  11.487  -3.329
  224   HG22  ILE  35          2HG2      ILE  35   2.980  10.022  -4.130
  225   HG23  ILE  35          3HG2      ILE  35   1.852   9.910  -2.779
  226   HD11  ILE  35          1HD1      ILE  35   2.802   9.850   0.965
  227   HD12  ILE  35          2HD1      ILE  35   2.636  11.223  -0.130
  228   HD13  ILE  35          3HD1      ILE  35   1.543   9.846  -0.270
  229    H    SER  36           H        SER  36   6.036   7.843  -1.651
  230    HA   SER  36           HA       SER  36   7.508   9.189   0.346
  231    HB2  SER  36           1HB      SER  36   7.264   6.370  -0.586
  232    HB3  SER  36           2HB      SER  36   8.661   6.781   0.409
  233    HG   SER  36           HG       SER  36   6.871   7.847   1.762
  234    H    HIS  37           H        HIS  37   9.842   9.102   0.671
  235    HA   HIS  37           HA       HIS  37  11.272  10.194  -1.470
  236    HB2  HIS  37           1HB      HIS  37  11.919  10.609   0.836
  237    HB3  HIS  37           2HB      HIS  37  12.291   8.903   1.070
  238    HD1  HIS  37           1HD      HIS  37  14.739   8.651   1.198
  239    HD2  HIS  37           2HD      HIS  37  13.632  11.455  -1.661
  240    HE1  HIS  37           1HE      HIS  37  16.887   9.412   0.135
  241    H    THR  38           H        THR  38  11.352   6.917  -0.102
  242    HA   THR  38           HA       THR  38  13.324   5.652  -1.363
  243    HB   THR  38           HB       THR  38  11.681   3.700  -1.785
  244    HG1  THR  38           1HG      THR  38  10.002   5.724  -0.825
  245   HG21  THR  38          1HG2      THR  38  12.039   3.010   0.354
  246   HG22  THR  38          2HG2      THR  38  11.482   4.530   1.054
  247   HG23  THR  38          3HG2      THR  38  13.102   4.416   0.366
  248    H    HIS  39           H        HIS  39  10.303   6.613  -2.944
  249    HA   HIS  39           HA       HIS  39  11.649   6.274  -5.536
  250    HB2  HIS  39           1HB      HIS  39   8.710   5.740  -5.274
  251    HB3  HIS  39           2HB      HIS  39   9.835   5.184  -6.510
  252    HD2  HIS  39           2HD      HIS  39   8.751   4.234  -2.865
  253    HE1  HIS  39           1HE      HIS  39  11.009   1.041  -4.509
  254    HE2  HIS  39           2HE      HIS  39   9.535   1.782  -2.606
  255    H    ARG  40           H        ARG  40  11.942   8.645  -4.833
  256    HA   ARG  40           HA       ARG  40   9.613  10.321  -5.232
  257    HB2  ARG  40           1HB      ARG  40  11.323  10.906  -3.547
  258    HB3  ARG  40           2HB      ARG  40  12.511  11.084  -4.832
  259    HG2  ARG  40           1HG      ARG  40  11.779  13.257  -4.245
  260    HG3  ARG  40           2HG      ARG  40  11.053  12.872  -5.807
  261    HD2  ARG  40           1HD      ARG  40   8.988  12.177  -4.583
  262    HD3  ARG  40           2HD      ARG  40   9.726  12.785  -3.103
  263    HE   ARG  40           HE       ARG  40   9.866  14.899  -4.792
  264   HH11  ARG  40          2HH1      ARG  40   7.280  12.812  -3.755
  265   HH12  ARG  40          1HH1      ARG  40   6.058  14.031  -3.912
  266   HH21  ARG  40          2HH2      ARG  40   8.267  16.512  -5.003
  267   HH22  ARG  40          1HH2      ARG  40   6.621  16.135  -4.623
  268    H    ALA  41           H        ALA  41  12.788   9.939  -6.810
  269    HA   ALA  41           HA       ALA  41  11.653  11.169  -9.229
  270    HB1  ALA  41           1HB      ALA  41  14.384  11.096  -8.062
  271    HB2  ALA  41           2HB      ALA  41  14.230  11.168  -9.817
  272    HB3  ALA  41           3HB      ALA  41  13.509  12.428  -8.817
  273    H    HIS  42           H        HIS  42  10.909   8.560  -8.753
  274    HA   HIS  42           HA       HIS  42  12.598   6.976 -10.566
  275    HB2  HIS  42           1HB      HIS  42  10.821   6.277  -8.278
  276    HB3  HIS  42           2HB      HIS  42  10.960   5.113  -9.594
  277    HD2  HIS  42           2HD      HIS  42  14.356   6.427  -9.555
  278    HE1  HIS  42           1HE      HIS  42  14.377   3.563  -6.425
  279    HE2  HIS  42           2HE      HIS  42  15.782   5.053  -7.891
  280    H    THR  43           H        THR  43  11.298   5.340 -11.889
  281    HA   THR  43           HA       THR  43   9.213   6.826 -13.294
  282    HB   THR  43           HB       THR  43  10.615   4.267 -14.094
  283    HG1  THR  43           1HG      THR  43  11.907   5.572 -15.334
  284   HG21  THR  43          1HG2      THR  43   8.426   4.475 -15.138
  285   HG22  THR  43          2HG2      THR  43   9.696   4.755 -16.330
  286   HG23  THR  43          3HG2      THR  43   8.806   6.118 -15.651
  287    H    VAL  44           H        VAL  44   7.452   6.529 -11.905
  288    HA   VAL  44           HA       VAL  44   6.559   3.779 -11.432
  289    HB   VAL  44           HB       VAL  44   5.450   6.363 -10.325
  290   HG11  VAL  44          1HG1      VAL  44   3.843   5.189  -9.284
  291   HG12  VAL  44          2HG1      VAL  44   4.151   3.985 -10.537
  292   HG13  VAL  44          3HG1      VAL  44   4.912   3.826  -8.953
  293   HG21  VAL  44          1HG2      VAL  44   7.363   6.292  -9.133
  294   HG22  VAL  44          2HG2      VAL  44   6.499   5.069  -8.202
  295   HG23  VAL  44          3HG2      VAL  44   7.632   4.581  -9.463
  296    H    VAL  45           H        VAL  45   4.743   2.938 -12.316
  297    HA   VAL  45           HA       VAL  45   3.058   4.697 -13.965
  298    HB   VAL  45           HB       VAL  45   2.984   3.141 -15.768
  299   HG11  VAL  45          1HG1      VAL  45   5.143   4.613 -15.246
  300   HG12  VAL  45          2HG1      VAL  45   5.897   3.017 -15.241
  301   HG13  VAL  45          3HG1      VAL  45   5.024   3.577 -16.668
  302   HG21  VAL  45          1HG2      VAL  45   4.082   1.001 -15.769
  303   HG22  VAL  45          2HG2      VAL  45   4.777   1.309 -14.178
  304   HG23  VAL  45          3HG2      VAL  45   3.035   1.098 -14.354
  305    HA   PRO  46           HA       PRO  46  -0.284   2.735 -11.874
  306    HB2  PRO  46           1HB      PRO  46  -2.267   3.256 -13.653
  307    HB3  PRO  46           2HB      PRO  46  -1.572   4.494 -12.601
  308    HG2  PRO  46           1HG      PRO  46  -0.985   3.905 -15.477
  309    HG3  PRO  46           2HG      PRO  46  -1.202   5.473 -14.677
  310    HD2  PRO  46           1HD      PRO  46   1.241   4.463 -15.263
  311    HD3  PRO  46           2HD      PRO  46   0.947   5.488 -13.843
  312    H    LEU  47           H        LEU  47  -0.450   0.589 -11.740
  313    HA   LEU  47           HA       LEU  47  -0.119  -1.172 -13.930
  314    HB2  LEU  47           1HB      LEU  47  -1.143  -1.566 -11.131
  315    HB3  LEU  47           2HB      LEU  47  -1.002  -2.891 -12.285
  316    HG   LEU  47           HG       LEU  47   1.379  -1.203 -11.605
  317   HD11  LEU  47          1HD1      LEU  47   1.307  -1.877  -9.489
  318   HD12  LEU  47          2HD1      LEU  47   1.573  -3.516 -10.084
  319   HD13  LEU  47          3HD1      LEU  47  -0.068  -2.937  -9.801
  320   HD21  LEU  47          1HD2      LEU  47   0.855  -3.435 -13.270
  321   HD22  LEU  47          2HD2      LEU  47   1.893  -3.978 -11.951
  322   HD23  LEU  47          3HD2      LEU  47   2.393  -2.626 -12.969
  323    H    SER  48           H        SER  48  -1.599  -2.419 -15.055
  324    HA   SER  48           HA       SER  48  -4.258  -1.273 -15.249
  325    HB2  SER  48           1HB      SER  48  -2.901  -3.435 -16.877
  326    HB3  SER  48           2HB      SER  48  -4.488  -2.751 -17.228
  327    HG   SER  48           HG       SER  48  -2.191  -1.851 -18.055
  328    H    GLY  49           H        GLY  49  -3.759  -2.637 -12.826
  329    HA2  GLY  49           1HA      GLY  49  -5.107  -5.218 -13.075
  330    HA3  GLY  49           2HA      GLY  49  -4.369  -4.566 -11.619
  331    HA   PRO  50           HA       PRO  50  -8.982  -4.201 -11.235
  332    HB2  PRO  50           1HB      PRO  50  -9.098  -5.251  -8.734
  333    HB3  PRO  50           2HB      PRO  50  -9.145  -6.244 -10.196
  334    HG2  PRO  50           1HG      PRO  50  -6.839  -5.652  -8.382
  335    HG3  PRO  50           2HG      PRO  50  -7.314  -7.192  -9.120
  336    HD2  PRO  50           1HD      PRO  50  -5.318  -5.655 -10.113
  337    HD3  PRO  50           2HD      PRO  50  -6.353  -6.661 -11.147
  338    H    SER  51           H        SER  51  -8.911  -1.961 -11.106
  339    HA   SER  51           HA       SER  51  -8.366  -0.874  -8.421
  340    HB2  SER  51           1HB      SER  51  -6.620  -0.024  -9.790
  341    HB3  SER  51           2HB      SER  51  -7.725   0.307 -11.124
  342    HG   SER  51           HG       SER  51  -8.035   2.197 -10.288
  343    H    SER  52           H        SER  52 -10.561  -1.096  -7.859
  344    HA   SER  52           HA       SER  52 -12.527   0.375  -9.434
  345    HB2  SER  52           1HB      SER  52 -12.648  -1.676  -7.273
  346    HB3  SER  52           2HB      SER  52 -14.004  -0.558  -7.419
  347    HG   SER  52           HG       SER  52 -13.724  -1.235  -9.813
  348    H    GLY  53           H        GLY  53 -11.552   0.207  -6.001
  349    HA2  GLY  53           1HA      GLY  53 -12.391   3.029  -5.749
  350    HA3  GLY  53           2HA      GLY  53 -12.459   1.861  -4.438
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -6.410 -18.136   8.602
    2    HA2  GLY   1           1HA      GLY   1  -4.498 -17.399   9.844
    3    HA3  GLY   1           2HA      GLY   1  -4.769 -19.065  10.334
    4    H    SER   2           H        SER   2  -3.834 -20.512   8.249
    5    HA   SER   2           HA       SER   2  -0.977 -19.813   8.252
    6    HB2  SER   2           1HB      SER   2  -1.338 -21.923   9.324
    7    HB3  SER   2           2HB      SER   2  -2.388 -22.476   8.020
    8    HG   SER   2           HG       SER   2   0.051 -23.056   8.166
    9    H    SER   3           H        SER   3  -3.450 -21.318   6.176
   10    HA   SER   3           HA       SER   3  -1.908 -20.409   3.835
   11    HB2  SER   3           1HB      SER   3  -2.433 -22.948   4.286
   12    HB3  SER   3           2HB      SER   3  -4.018 -22.527   3.635
   13    HG   SER   3           HG       SER   3  -2.375 -21.464   1.965
   14    H    GLY   4           H        GLY   4  -3.115 -19.660   1.985
   15    HA2  GLY   4           1HA      GLY   4  -5.465 -19.167   1.200
   16    HA3  GLY   4           2HA      GLY   4  -5.679 -18.428   2.780
   17    H    SER   5           H        SER   5  -5.913 -17.260   0.091
   18    HA   SER   5           HA       SER   5  -3.805 -15.210   0.289
   19    HB2  SER   5           1HB      SER   5  -5.296 -16.286  -2.103
   20    HB3  SER   5           2HB      SER   5  -4.416 -14.758  -2.157
   21    HG   SER   5           HG       SER   5  -3.174 -16.598  -2.848
   22    H    SER   6           H        SER   6  -4.591 -13.071  -0.768
   23    HA   SER   6           HA       SER   6  -7.203 -12.436   0.429
   24    HB2  SER   6           1HB      SER   6  -5.025 -11.286   1.221
   25    HB3  SER   6           2HB      SER   6  -5.115 -10.392  -0.296
   26    HG   SER   6           HG       SER   6  -7.493 -10.438   1.032
   27    H    GLY   7           H        GLY   7  -8.797 -11.520  -0.761
   28    HA2  GLY   7           1HA      GLY   7  -9.021 -11.887  -3.460
   29    HA3  GLY   7           2HA      GLY   7  -9.907 -10.649  -2.582
   30    H    GLU   8           H        GLU   8  -7.971  -8.878  -1.873
   31    HA   GLU   8           HA       GLU   8  -7.031  -7.927  -4.494
   32    HB2  GLU   8           1HB      GLU   8  -7.718  -6.396  -1.981
   33    HB3  GLU   8           2HB      GLU   8  -7.019  -5.668  -3.420
   34    HG2  GLU   8           1HG      GLU   8  -9.590  -7.203  -3.523
   35    HG3  GLU   8           2HG      GLU   8  -9.541  -5.493  -3.096
   36    H    SER   9           H        SER   9  -5.136  -6.237  -4.100
   37    HA   SER   9           HA       SER   9  -3.077  -7.713  -2.609
   38    HB2  SER   9           1HB      SER   9  -2.715  -5.704  -4.845
   39    HB3  SER   9           2HB      SER   9  -1.448  -6.677  -4.098
   40    HG   SER   9           HG       SER   9  -2.576  -7.385  -6.184
   41    H    LEU  10           H        LEU  10  -1.398  -6.459  -1.535
   42    HA   LEU  10           HA       LEU  10  -1.940  -3.686  -0.931
   43    HB2  LEU  10           1HB      LEU  10  -1.995  -5.742   1.272
   44    HB3  LEU  10           2HB      LEU  10  -2.122  -3.995   1.468
   45    HG   LEU  10           HG       LEU  10  -4.155  -5.587  -0.072
   46   HD11  LEU  10          1HD1      LEU  10  -5.318  -4.966   2.336
   47   HD12  LEU  10          2HD1      LEU  10  -3.701  -5.492   2.802
   48   HD13  LEU  10          3HD1      LEU  10  -4.734  -6.558   1.850
   49   HD21  LEU  10          1HD2      LEU  10  -3.729  -2.813   0.517
   50   HD22  LEU  10          2HD2      LEU  10  -5.249  -3.355   1.228
   51   HD23  LEU  10          3HD2      LEU  10  -4.960  -3.564  -0.499
   52    H    CYS  11           H        CYS  11  -0.184  -2.614   0.007
   53    HA   CYS  11           HA       CYS  11   2.361  -3.669  -0.600
   54    HB2  CYS  11           1HB      CYS  11   1.510  -1.186  -0.317
   55    HB3  CYS  11           2HB      CYS  11   2.054  -1.415   1.341
   56    HA   PRO  12           HA       PRO  12   3.156  -6.072   3.021
   57    HB2  PRO  12           1HB      PRO  12   5.834  -6.359   2.680
   58    HB3  PRO  12           2HB      PRO  12   4.643  -7.243   1.719
   59    HG2  PRO  12           1HG      PRO  12   6.182  -4.772   1.022
   60    HG3  PRO  12           2HG      PRO  12   5.836  -6.194   0.021
   61    HD2  PRO  12           1HD      PRO  12   4.440  -3.884  -0.198
   62    HD3  PRO  12           2HD      PRO  12   3.706  -5.474  -0.488
   63    H    GLN  13           H        GLN  13   4.008  -2.891   2.569
   64    HA   GLN  13           HA       GLN  13   5.262  -2.741   5.232
   65    HB2  GLN  13           1HB      GLN  13   5.733  -1.030   2.791
   66    HB3  GLN  13           2HB      GLN  13   6.286  -0.585   4.399
   67    HG2  GLN  13           1HG      GLN  13   7.478  -2.844   4.417
   68    HG3  GLN  13           2HG      GLN  13   7.176  -2.870   2.680
   69   HE21  GLN  13          1HE2      GLN  13   8.736  -1.098   5.277
   70   HE22  GLN  13          2HE2      GLN  13   9.917  -0.316   4.287
   71    H    HIS  14           H        HIS  14   3.049  -1.221   2.944
   72    HA   HIS  14           HA       HIS  14   1.998   0.461   5.113
   73    HB2  HIS  14           1HB      HIS  14   1.518   0.694   2.136
   74    HB3  HIS  14           2HB      HIS  14   0.981   1.829   3.370
   75    HD2  HIS  14           2HD      HIS  14   2.907   3.629   4.255
   76    HE1  HIS  14           1HE      HIS  14   5.985   2.305   1.652
   77    HE2  HIS  14           2HE      HIS  14   5.302   4.025   3.361
   78    H    HIS  15           H        HIS  15   1.205  -2.099   2.898
   79    HA   HIS  15           HA       HIS  15  -0.567  -3.524   2.787
   80    HB2  HIS  15           1HB      HIS  15  -1.595  -2.242   5.319
   81    HB3  HIS  15           2HB      HIS  15  -1.938  -3.860   4.715
   82    HD1  HIS  15           1HD      HIS  15   0.371  -1.987   6.847
   83    HD2  HIS  15           2HD      HIS  15   0.330  -5.659   4.905
   84    HE1  HIS  15           1HE      HIS  15   2.212  -3.330   7.910
   85    H    GLU  16           H        GLU  16  -0.694  -1.179   1.318
   86    HA   GLU  16           HA       GLU  16  -3.560  -0.503   1.451
   87    HB2  GLU  16           1HB      GLU  16  -1.278   1.183   0.407
   88    HB3  GLU  16           2HB      GLU  16  -2.977   1.630   0.347
   89    HG2  GLU  16           1HG      GLU  16  -1.661   0.987   2.953
   90    HG3  GLU  16           2HG      GLU  16  -1.492   2.582   2.222
   91    H    ALA  17           H        ALA  17  -4.759  -0.553  -0.422
   92    HA   ALA  17           HA       ALA  17  -4.390  -2.430  -2.312
   93    HB1  ALA  17           1HB      ALA  17  -5.934   0.057  -2.202
   94    HB2  ALA  17           2HB      ALA  17  -5.622  -0.538  -3.833
   95    HB3  ALA  17           3HB      ALA  17  -6.432  -1.573  -2.657
   96    H    LEU  18           H        LEU  18  -2.614  -2.831  -3.467
   97    HA   LEU  18           HA       LEU  18  -0.819  -0.796  -4.345
   98    HB2  LEU  18           1HB      LEU  18  -1.007  -3.698  -5.137
   99    HB3  LEU  18           2HB      LEU  18   0.342  -2.624  -5.501
  100    HG   LEU  18           HG       LEU  18  -0.496  -3.276  -2.685
  101   HD11  LEU  18          1HD1      LEU  18   1.298  -4.934  -2.658
  102   HD12  LEU  18          2HD1      LEU  18   1.563  -4.681  -4.382
  103   HD13  LEU  18          3HD1      LEU  18   0.040  -5.365  -3.816
  104   HD21  LEU  18          1HD2      LEU  18   2.266  -2.572  -3.520
  105   HD22  LEU  18          2HD2      LEU  18   1.409  -2.214  -2.021
  106   HD23  LEU  18          3HD2      LEU  18   1.059  -1.286  -3.480
  107    H    SER  19           H        SER  19  -1.005   0.450  -6.075
  108    HA   SER  19           HA       SER  19  -2.533  -0.555  -8.384
  109    HB2  SER  19           1HB      SER  19  -3.698   1.242  -6.962
  110    HB3  SER  19           2HB      SER  19  -2.483   2.354  -7.592
  111    HG   SER  19           HG       SER  19  -3.498   2.389  -9.430
  112    H    LEU  20           H        LEU  20   0.188   1.239  -7.174
  113    HA   LEU  20           HA       LEU  20   1.108   1.843  -9.885
  114    HB2  LEU  20           1HB      LEU  20   2.185   2.657  -7.191
  115    HB3  LEU  20           2HB      LEU  20   2.887   3.128  -8.737
  116    HG   LEU  20           HG       LEU  20   0.084   3.848  -7.898
  117   HD11  LEU  20          1HD1      LEU  20   1.162   6.147  -7.586
  118   HD12  LEU  20          2HD1      LEU  20   2.687   5.271  -7.464
  119   HD13  LEU  20          3HD1      LEU  20   1.392   4.951  -6.311
  120   HD21  LEU  20          1HD2      LEU  20   0.711   5.699  -9.650
  121   HD22  LEU  20          2HD2      LEU  20   0.124   4.121 -10.174
  122   HD23  LEU  20          3HD2      LEU  20   1.852   4.477 -10.212
  123    H    PHE  21           H        PHE  21   3.452   1.468 -10.341
  124    HA   PHE  21           HA       PHE  21   4.685  -0.731  -8.905
  125    HB2  PHE  21           1HB      PHE  21   3.409  -2.065 -10.373
  126    HB3  PHE  21           2HB      PHE  21   3.668  -0.971 -11.727
  127    HD1  PHE  21           2HD      PHE  21   5.948  -0.843 -12.765
  128    HD2  PHE  21           1HD      PHE  21   4.868  -3.851  -9.953
  129    HE1  PHE  21           2HE      PHE  21   7.846  -2.219 -13.512
  130    HE2  PHE  21           1HE      PHE  21   6.765  -5.231 -10.696
  131    HZ   PHE  21           HZ       PHE  21   8.256  -4.416 -12.478
  132    H    CYS  22           H        CYS  22   6.752  -0.223  -8.686
  133    HA   CYS  22           HA       CYS  22   7.971   1.865 -10.197
  134    HB2  CYS  22           1HB      CYS  22   8.480   1.273  -7.789
  135    HB3  CYS  22           2HB      CYS  22   9.369  -0.119  -8.399
  136    H    TYR  23           H        TYR  23   9.382   1.780 -11.868
  137    HA   TYR  23           HA       TYR  23   9.546  -0.702 -13.335
  138    HB2  TYR  23           1HB      TYR  23   9.218   1.700 -14.280
  139    HB3  TYR  23           2HB      TYR  23  10.966   1.826 -14.120
  140    HD1  TYR  23           1HD      TYR  23   8.219   0.159 -15.894
  141    HD2  TYR  23           2HD      TYR  23  12.441   0.570 -15.567
  142    HE1  TYR  23           1HE      TYR  23   8.491  -0.973 -18.060
  143    HE2  TYR  23           2HE      TYR  23  12.725  -0.560 -17.733
  144    HH   TYR  23           HH       TYR  23   9.985  -1.965 -19.444
  145    H    GLU  24           H        GLU  24  12.016   1.685 -12.358
  146    HA   GLU  24           HA       GLU  24  14.273   0.226 -12.841
  147    HB2  GLU  24           1HB      GLU  24  13.899   2.632 -11.815
  148    HB3  GLU  24           2HB      GLU  24  14.159   1.785 -10.296
  149    HG2  GLU  24           1HG      GLU  24  16.285   2.451 -10.774
  150    HG3  GLU  24           2HG      GLU  24  16.273   0.857 -11.527
  151    H    ASP  25           H        ASP  25  12.360   0.192  -9.845
  152    HA   ASP  25           HA       ASP  25  13.969  -1.833  -8.621
  153    HB2  ASP  25           1HB      ASP  25  11.167  -1.005  -7.851
  154    HB3  ASP  25           2HB      ASP  25  12.369  -1.786  -6.828
  155    H    GLN  26           H        GLN  26  11.196  -1.800 -10.700
  156    HA   GLN  26           HA       GLN  26  10.008  -3.454 -11.713
  157    HB2  GLN  26           1HB      GLN  26  12.505  -4.907 -10.917
  158    HB3  GLN  26           2HB      GLN  26  11.162  -5.794 -11.624
  159    HG2  GLN  26           1HG      GLN  26  12.605  -3.475 -12.888
  160    HG3  GLN  26           2HG      GLN  26  12.810  -5.177 -13.302
  161   HE21  GLN  26          1HE2      GLN  26  10.543  -2.497 -13.293
  162   HE22  GLN  26          2HE2      GLN  26   9.539  -3.098 -14.565
  163    H    GLU  27           H        GLU  27   9.225  -2.767  -9.140
  164    HA   GLU  27           HA       GLU  27   8.055  -5.302  -8.251
  165    HB2  GLU  27           1HB      GLU  27   9.217  -3.248  -6.361
  166    HB3  GLU  27           2HB      GLU  27   8.419  -4.748  -5.908
  167    HG2  GLU  27           1HG      GLU  27  10.270  -5.883  -7.302
  168    HG3  GLU  27           2HG      GLU  27  11.111  -4.342  -7.137
  169    H    ALA  28           H        ALA  28   6.310  -4.763  -6.495
  170    HA   ALA  28           HA       ALA  28   4.558  -2.778  -7.710
  171    HB1  ALA  28           1HB      ALA  28   4.021  -5.262  -6.898
  172    HB2  ALA  28           2HB      ALA  28   3.629  -4.395  -5.413
  173    HB3  ALA  28           3HB      ALA  28   2.808  -3.981  -6.918
  174    H    VAL  29           H        VAL  29   3.767  -0.984  -6.696
  175    HA   VAL  29           HA       VAL  29   4.674  -0.455  -3.949
  176    HB   VAL  29           HB       VAL  29   5.107   1.907  -4.573
  177   HG11  VAL  29          1HG1      VAL  29   6.894   0.399  -6.379
  178   HG12  VAL  29          2HG1      VAL  29   7.281   1.480  -5.039
  179   HG13  VAL  29          3HG1      VAL  29   6.783  -0.181  -4.718
  180   HG21  VAL  29          1HG2      VAL  29   4.772   2.748  -6.627
  181   HG22  VAL  29          2HG2      VAL  29   5.395   1.306  -7.429
  182   HG23  VAL  29          3HG2      VAL  29   3.728   1.344  -6.853
  183    H    CYS  30           H        CYS  30   3.490   1.393  -2.944
  184    HA   CYS  30           HA       CYS  30   0.691   1.417  -3.864
  185    HB2  CYS  30           1HB      CYS  30  -0.003   1.636  -1.577
  186    HB3  CYS  30           2HB      CYS  30   1.137   0.297  -1.663
  187    H    LEU  31           H        LEU  31  -0.470   3.418  -2.730
  188    HA   LEU  31           HA       LEU  31   0.373   5.705  -4.055
  189    HB2  LEU  31           1HB      LEU  31  -1.850   5.719  -3.427
  190    HB3  LEU  31           2HB      LEU  31  -1.493   5.199  -1.781
  191    HG   LEU  31           HG       LEU  31  -0.523   7.489  -1.384
  192   HD11  LEU  31          1HD1      LEU  31  -0.064   8.358  -3.488
  193   HD12  LEU  31          2HD1      LEU  31  -1.523   9.222  -3.003
  194   HD13  LEU  31          3HD1      LEU  31  -1.631   7.877  -4.139
  195   HD21  LEU  31          1HD2      LEU  31  -3.234   8.203  -2.025
  196   HD22  LEU  31          2HD2      LEU  31  -2.487   7.939  -0.449
  197   HD23  LEU  31          3HD2      LEU  31  -3.167   6.578  -1.343
  198    H    ILE  32           H        ILE  32   0.407   5.314  -0.508
  199    HA   ILE  32           HA       ILE  32   1.895   7.480   0.190
  200    HB   ILE  32           HB       ILE  32   2.105   4.723   1.404
  201   HG12  ILE  32          1HG1      ILE  32   0.545   6.982   2.586
  202   HG13  ILE  32          2HG1      ILE  32  -0.150   6.097   1.232
  203   HG21  ILE  32          1HG2      ILE  32   3.764   6.859   1.880
  204   HG22  ILE  32          2HG2      ILE  32   2.549   7.014   3.147
  205   HG23  ILE  32          3HG2      ILE  32   3.468   5.518   2.986
  206   HD11  ILE  32          1HD1      ILE  32  -0.916   5.221   3.366
  207   HD12  ILE  32          2HD1      ILE  32   0.033   4.021   2.489
  208   HD13  ILE  32          3HD1      ILE  32   0.751   4.897   3.840
  209    H    CYS  33           H        CYS  33   3.161   4.332  -0.852
  210    HA   CYS  33           HA       CYS  33   5.853   4.697  -0.483
  211    HB2  CYS  33           1HB      CYS  33   4.226   3.173  -2.454
  212    HB3  CYS  33           2HB      CYS  33   5.943   3.358  -2.797
  213    H    ALA  34           H        ALA  34   4.119   5.438  -3.514
  214    HA   ALA  34           HA       ALA  34   6.151   6.626  -4.919
  215    HB1  ALA  34           1HB      ALA  34   4.504   6.845  -6.385
  216    HB2  ALA  34           2HB      ALA  34   3.325   6.485  -5.123
  217    HB3  ALA  34           3HB      ALA  34   3.813   8.152  -5.423
  218    H    ILE  35           H        ILE  35   3.683   8.535  -3.187
  219    HA   ILE  35           HA       ILE  35   4.933  10.980  -3.288
  220    HB   ILE  35           HB       ILE  35   3.664  11.601  -1.267
  221   HG12  ILE  35          1HG1      ILE  35   2.813   8.700  -1.198
  222   HG13  ILE  35          2HG1      ILE  35   3.986   9.412  -0.096
  223   HG21  ILE  35          1HG2      ILE  35   2.202  11.913  -2.941
  224   HG22  ILE  35          2HG2      ILE  35   2.512  10.324  -3.640
  225   HG23  ILE  35          3HG2      ILE  35   1.402  10.487  -2.279
  226   HD11  ILE  35          1HD1      ILE  35   1.159   9.354   0.105
  227   HD12  ILE  35          2HD1      ILE  35   2.337  10.015   1.239
  228   HD13  ILE  35          3HD1      ILE  35   1.675  11.034  -0.038
  229    H    SER  36           H        SER  36   5.511   8.326  -1.059
  230    HA   SER  36           HA       SER  36   7.054   9.646   0.852
  231    HB2  SER  36           1HB      SER  36   6.183   7.245   0.909
  232    HB3  SER  36           2HB      SER  36   7.586   6.821  -0.071
  233    HG   SER  36           HG       SER  36   7.682   8.104   2.460
  234    H    HIS  37           H        HIS  37   9.431   9.361   1.185
  235    HA   HIS  37           HA       HIS  37  10.821  10.199  -1.224
  236    HB2  HIS  37           1HB      HIS  37  11.108  11.431   0.918
  237    HB3  HIS  37           2HB      HIS  37  11.855   9.995   1.612
  238    HD1  HIS  37           1HD      HIS  37  12.493  11.744  -1.711
  239    HD2  HIS  37           2HD      HIS  37  14.493  10.559   1.733
  240    HE1  HIS  37           1HE      HIS  37  14.909  12.319  -2.105
  241    H    THR  38           H        THR  38  10.027   7.503  -1.244
  242    HA   THR  38           HA       THR  38  12.603   6.098  -0.967
  243    HB   THR  38           HB       THR  38   9.848   4.854  -1.028
  244    HG1  THR  38           1HG      THR  38   9.906   5.676   0.961
  245   HG21  THR  38          1HG2      THR  38  11.640   3.099   0.144
  246   HG22  THR  38          2HG2      THR  38  12.550   3.791  -1.200
  247   HG23  THR  38          3HG2      THR  38  11.004   2.996  -1.498
  248    H    HIS  39           H        HIS  39   9.724   6.450  -3.006
  249    HA   HIS  39           HA       HIS  39  11.346   5.551  -5.295
  250    HB2  HIS  39           1HB      HIS  39   8.394   5.041  -4.868
  251    HB3  HIS  39           2HB      HIS  39   9.330   4.558  -6.280
  252    HD2  HIS  39           2HD      HIS  39   8.808   3.477  -2.564
  253    HE1  HIS  39           1HE      HIS  39  11.135   0.520  -4.524
  254    HE2  HIS  39           2HE      HIS  39   9.823   1.101  -2.453
  255    H    ARG  40           H        ARG  40  11.164   8.218  -4.490
  256    HA   ARG  40           HA       ARG  40   9.133   9.567  -6.014
  257    HB2  ARG  40           1HB      ARG  40  10.190  10.439  -3.885
  258    HB3  ARG  40           2HB      ARG  40  11.633  10.773  -4.832
  259    HG2  ARG  40           1HG      ARG  40  10.576  12.812  -4.840
  260    HG3  ARG  40           2HG      ARG  40  10.007  12.108  -6.355
  261    HD2  ARG  40           1HD      ARG  40   7.976  11.320  -5.136
  262    HD3  ARG  40           2HD      ARG  40   8.534  12.225  -3.728
  263    HE   ARG  40           HE       ARG  40   7.215  13.279  -6.011
  264   HH11  ARG  40          2HH1      ARG  40   9.665  14.006  -3.646
  265   HH12  ARG  40          1HH1      ARG  40   9.451  15.721  -3.761
  266   HH21  ARG  40          2HH2      ARG  40   6.924  15.536  -6.171
  267   HH22  ARG  40          1HH2      ARG  40   7.891  16.590  -5.196
  268    H    ALA  41           H        ALA  41  12.697   9.588  -6.223
  269    HA   ALA  41           HA       ALA  41  12.608  10.606  -8.919
  270    HB1  ALA  41           1HB      ALA  41  15.054  10.511  -8.806
  271    HB2  ALA  41           2HB      ALA  41  14.367  11.334  -7.405
  272    HB3  ALA  41           3HB      ALA  41  14.946   9.675  -7.256
  273    H    HIS  42           H        HIS  42  11.247   8.195  -8.784
  274    HA   HIS  42           HA       HIS  42  13.017   6.433 -10.345
  275    HB2  HIS  42           1HB      HIS  42  11.061   5.755  -8.178
  276    HB3  HIS  42           2HB      HIS  42  11.375   4.591  -9.462
  277    HD2  HIS  42           2HD      HIS  42  14.722   5.882  -9.157
  278    HE1  HIS  42           1HE      HIS  42  14.453   3.232  -5.855
  279    HE2  HIS  42           2HE      HIS  42  15.990   4.619  -7.290
  280    H    THR  43           H        THR  43  11.666   4.850 -11.702
  281    HA   THR  43           HA       THR  43   9.671   6.440 -13.135
  282    HB   THR  43           HB       THR  43  11.012   3.868 -13.990
  283    HG1  THR  43           1HG      THR  43  11.943   5.675 -15.493
  284   HG21  THR  43          1HG2      THR  43  10.000   5.609 -16.075
  285   HG22  THR  43          2HG2      THR  43   8.719   5.091 -14.978
  286   HG23  THR  43          3HG2      THR  43   9.711   3.891 -15.806
  287    H    VAL  44           H        VAL  44   7.978   6.089 -11.587
  288    HA   VAL  44           HA       VAL  44   7.005   3.375 -11.225
  289    HB   VAL  44           HB       VAL  44   5.919   6.007 -10.217
  290   HG11  VAL  44          1HG1      VAL  44   4.190   4.244 -10.520
  291   HG12  VAL  44          2HG1      VAL  44   5.104   3.219  -9.412
  292   HG13  VAL  44          3HG1      VAL  44   4.415   4.740  -8.843
  293   HG21  VAL  44          1HG2      VAL  44   6.887   5.469  -8.126
  294   HG22  VAL  44          2HG2      VAL  44   7.274   3.828  -8.644
  295   HG23  VAL  44          3HG2      VAL  44   8.147   5.199  -9.330
  296    H    VAL  45           H        VAL  45   5.407   2.458 -12.350
  297    HA   VAL  45           HA       VAL  45   3.821   4.171 -14.152
  298    HB   VAL  45           HB       VAL  45   3.686   2.330 -15.726
  299   HG11  VAL  45          1HG1      VAL  45   5.702   3.948 -15.592
  300   HG12  VAL  45          2HG1      VAL  45   6.598   2.524 -15.058
  301   HG13  VAL  45          3HG1      VAL  45   5.810   2.531 -16.637
  302   HG21  VAL  45          1HG2      VAL  45   5.011   0.844 -13.521
  303   HG22  VAL  45          2HG2      VAL  45   3.742   0.327 -14.632
  304   HG23  VAL  45          3HG2      VAL  45   5.417   0.400 -15.179
  305    HA   PRO  46           HA       PRO  46   0.221   2.679 -12.102
  306    HB2  PRO  46           1HB      PRO  46  -1.602   3.112 -14.066
  307    HB3  PRO  46           2HB      PRO  46  -0.890   4.418 -13.112
  308    HG2  PRO  46           1HG      PRO  46  -0.164   3.462 -15.854
  309    HG3  PRO  46           2HG      PRO  46  -0.321   5.123 -15.253
  310    HD2  PRO  46           1HD      PRO  46   2.077   3.900 -15.546
  311    HD3  PRO  46           2HD      PRO  46   1.766   5.100 -14.275
  312    H    LEU  47           H        LEU  47  -0.659   0.722 -11.805
  313    HA   LEU  47           HA       LEU  47  -0.206  -1.332 -13.812
  314    HB2  LEU  47           1HB      LEU  47  -1.201  -1.434 -10.973
  315    HB3  LEU  47           2HB      LEU  47  -1.081  -2.852 -12.013
  316    HG   LEU  47           HG       LEU  47   1.270  -1.121 -11.261
  317   HD11  LEU  47          1HD1      LEU  47   0.997  -3.811 -10.101
  318   HD12  LEU  47          2HD1      LEU  47  -0.104  -2.589  -9.467
  319   HD13  LEU  47          3HD1      LEU  47   1.638  -2.326  -9.398
  320   HD21  LEU  47          1HD2      LEU  47   0.992  -3.804 -12.601
  321   HD22  LEU  47          2HD2      LEU  47   2.515  -3.183 -11.964
  322   HD23  LEU  47          3HD2      LEU  47   1.690  -2.328 -13.269
  323    H    SER  48           H        SER  48  -2.978  -0.433 -11.749
  324    HA   SER  48           HA       SER  48  -4.964  -1.835 -12.971
  325    HB2  SER  48           1HB      SER  48  -4.996  -0.084 -10.986
  326    HB3  SER  48           2HB      SER  48  -5.570   1.003 -12.250
  327    HG   SER  48           HG       SER  48  -6.731  -1.465 -11.464
  328    H    GLY  49           H        GLY  49  -6.314  -1.610 -14.724
  329    HA2  GLY  49           1HA      GLY  49  -6.979   0.322 -16.381
  330    HA3  GLY  49           2HA      GLY  49  -5.295   0.130 -16.846
  331    HA   PRO  50           HA       PRO  50  -8.285  -3.128 -18.772
  332    HB2  PRO  50           1HB      PRO  50  -9.173  -1.817 -20.977
  333    HB3  PRO  50           2HB      PRO  50 -10.045  -1.811 -19.439
  334    HG2  PRO  50           1HG      PRO  50  -8.224   0.266 -20.593
  335    HG3  PRO  50           2HG      PRO  50  -9.777   0.476 -19.763
  336    HD2  PRO  50           1HD      PRO  50  -7.399   0.866 -18.527
  337    HD3  PRO  50           2HD      PRO  50  -8.832   0.258 -17.672
  338    H    SER  51           H        SER  51  -5.555  -1.395 -19.386
  339    HA   SER  51           HA       SER  51  -3.686  -1.885 -20.607
  340    HB2  SER  51           1HB      SER  51  -4.537  -4.291 -20.357
  341    HB3  SER  51           2HB      SER  51  -5.203  -4.103 -21.979
  342    HG   SER  51           HG       SER  51  -2.687  -4.650 -21.256
  343    H    SER  52           H        SER  52  -5.479   0.076 -21.430
  344    HA   SER  52           HA       SER  52  -5.506  -0.180 -24.360
  345    HB2  SER  52           1HB      SER  52  -7.207   1.303 -22.410
  346    HB3  SER  52           2HB      SER  52  -6.972   2.014 -24.006
  347    HG   SER  52           HG       SER  52  -8.772   0.668 -24.044
  348    H    GLY  53           H        GLY  53  -4.760   2.139 -21.764
  349    HA2  GLY  53           1HA      GLY  53  -2.541   3.152 -23.368
  350    HA3  GLY  53           2HA      GLY  53  -3.796   4.306 -22.944
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -8.445 -23.110   4.654
    2    HA2  GLY   1           1HA      GLY   1  -7.133 -24.802   3.203
    3    HA3  GLY   1           2HA      GLY   1  -8.691 -25.000   2.414
    4    H    SER   2           H        SER   2  -6.230 -24.105   1.215
    5    HA   SER   2           HA       SER   2  -6.450 -21.257   0.830
    6    HB2  SER   2           1HB      SER   2  -4.237 -22.111   0.728
    7    HB3  SER   2           2HB      SER   2  -4.701 -23.390  -0.395
    8    HG   SER   2           HG       SER   2  -4.104 -22.031  -1.876
    9    H    SER   3           H        SER   3  -8.473 -20.883  -0.053
   10    HA   SER   3           HA       SER   3  -8.667 -21.122  -2.881
   11    HB2  SER   3           1HB      SER   3 -10.661 -22.533  -3.007
   12    HB3  SER   3           2HB      SER   3  -9.332 -23.422  -2.262
   13    HG   SER   3           HG       SER   3 -11.116 -22.017  -0.620
   14    H    GLY   4           H        GLY   4  -9.802 -19.437  -3.611
   15    HA2  GLY   4           1HA      GLY   4 -12.232 -18.493  -2.681
   16    HA3  GLY   4           2HA      GLY   4 -11.002 -17.606  -1.791
   17    H    SER   5           H        SER   5 -11.334 -15.613  -2.679
   18    HA   SER   5           HA       SER   5 -11.052 -15.379  -5.598
   19    HB2  SER   5           1HB      SER   5 -12.473 -13.743  -3.535
   20    HB3  SER   5           2HB      SER   5 -11.890 -12.947  -4.997
   21    HG   SER   5           HG       SER   5 -13.714 -13.659  -5.782
   22    H    SER   6           H        SER   6  -9.657 -13.810  -6.481
   23    HA   SER   6           HA       SER   6  -7.119 -13.656  -5.605
   24    HB2  SER   6           1HB      SER   6  -8.603 -11.416  -7.001
   25    HB3  SER   6           2HB      SER   6  -6.849 -11.584  -6.928
   26    HG   SER   6           HG       SER   6  -8.360 -12.556  -8.760
   27    H    GLY   7           H        GLY   7  -6.132 -12.922  -3.849
   28    HA2  GLY   7           1HA      GLY   7  -7.534 -11.037  -2.112
   29    HA3  GLY   7           2HA      GLY   7  -6.124 -11.993  -1.684
   30    H    GLU   8           H        GLU   8  -6.906  -8.999  -1.690
   31    HA   GLU   8           HA       GLU   8  -5.223  -7.632  -3.462
   32    HB2  GLU   8           1HB      GLU   8  -6.375  -6.926  -0.776
   33    HB3  GLU   8           2HB      GLU   8  -5.309  -5.818  -1.628
   34    HG2  GLU   8           1HG      GLU   8  -6.996  -6.262  -3.604
   35    HG3  GLU   8           2HG      GLU   8  -8.080  -6.662  -2.272
   36    H    SER   9           H        SER   9  -3.090  -7.410  -3.562
   37    HA   SER   9           HA       SER   9  -1.446  -8.572  -1.468
   38    HB2  SER   9           1HB      SER   9  -1.024  -7.750  -4.301
   39    HB3  SER   9           2HB      SER   9   0.381  -7.758  -3.235
   40    HG   SER   9           HG       SER   9  -1.388  -9.953  -3.547
   41    H    LEU  10           H        LEU  10  -2.850  -6.141  -0.841
   42    HA   LEU  10           HA       LEU  10  -1.753  -3.737  -0.995
   43    HB2  LEU  10           1HB      LEU  10  -2.238  -4.932   1.721
   44    HB3  LEU  10           2HB      LEU  10  -2.419  -3.249   1.230
   45    HG   LEU  10           HG       LEU  10  -4.180  -5.537   0.349
   46   HD11  LEU  10          1HD1      LEU  10  -5.190  -5.246   2.307
   47   HD12  LEU  10          2HD1      LEU  10  -5.676  -3.653   1.729
   48   HD13  LEU  10          3HD1      LEU  10  -4.205  -3.832   2.685
   49   HD21  LEU  10          1HD2      LEU  10  -4.006  -2.661  -0.405
   50   HD22  LEU  10          2HD2      LEU  10  -5.593  -3.425  -0.316
   51   HD23  LEU  10          3HD2      LEU  10  -4.362  -4.071  -1.403
   52    H    CYS  11           H        CYS  11   0.082  -2.657  -0.524
   53    HA   CYS  11           HA       CYS  11   2.531  -3.728  -0.416
   54    HB2  CYS  11           1HB      CYS  11   1.803  -1.237  -0.376
   55    HB3  CYS  11           2HB      CYS  11   1.970  -1.377   1.371
   56    HA   PRO  12           HA       PRO  12   2.851  -6.031   3.342
   57    HB2  PRO  12           1HB      PRO  12   5.538  -6.414   3.296
   58    HB3  PRO  12           2HB      PRO  12   4.424  -7.294   2.243
   59    HG2  PRO  12           1HG      PRO  12   6.113  -4.898   1.634
   60    HG3  PRO  12           2HG      PRO  12   5.824  -6.344   0.648
   61    HD2  PRO  12           1HD      PRO  12   4.540  -4.001   0.208
   62    HD3  PRO  12           2HD      PRO  12   3.785  -5.577  -0.106
   63    H    GLN  13           H        GLN  13   3.840  -2.895   2.887
   64    HA   GLN  13           HA       GLN  13   4.698  -2.672   5.694
   65    HB2  GLN  13           1HB      GLN  13   5.841  -1.310   3.263
   66    HB3  GLN  13           2HB      GLN  13   6.066  -0.663   4.883
   67    HG2  GLN  13           1HG      GLN  13   7.968  -1.885   4.688
   68    HG3  GLN  13           2HG      GLN  13   6.902  -3.108   5.378
   69   HE21  GLN  13          1HE2      GLN  13   8.036  -4.816   4.509
   70   HE22  GLN  13          2HE2      GLN  13   8.030  -5.180   2.821
   71    H    HIS  14           H        HIS  14   3.143  -1.121   2.933
   72    HA   HIS  14           HA       HIS  14   1.969   0.886   4.721
   73    HB2  HIS  14           1HB      HIS  14   1.940   0.758   1.698
   74    HB3  HIS  14           2HB      HIS  14   1.341   2.088   2.685
   75    HD2  HIS  14           2HD      HIS  14   3.494   3.407   4.191
   76    HE1  HIS  14           1HE      HIS  14   6.411   2.244   1.338
   77    HE2  HIS  14           2HE      HIS  14   5.920   3.692   3.339
   78    H    HIS  15           H        HIS  15   1.261  -2.096   3.445
   79    HA   HIS  15           HA       HIS  15  -0.682  -3.216   2.907
   80    HB2  HIS  15           1HB      HIS  15  -1.143  -1.822   5.522
   81    HB3  HIS  15           2HB      HIS  15  -2.419  -2.810   4.818
   82    HD1  HIS  15           1HD      HIS  15   0.520  -3.025   6.914
   83    HD2  HIS  15           2HD      HIS  15  -1.522  -5.587   4.358
   84    HE1  HIS  15           1HE      HIS  15   1.287  -5.340   7.528
   85    H    GLU  16           H        GLU  16  -0.521  -0.886   1.379
   86    HA   GLU  16           HA       GLU  16  -3.307   0.070   1.365
   87    HB2  GLU  16           1HB      GLU  16  -0.720   1.384   0.636
   88    HB3  GLU  16           2HB      GLU  16  -2.198   1.900  -0.162
   89    HG2  GLU  16           1HG      GLU  16  -1.892   1.803   2.824
   90    HG3  GLU  16           2HG      GLU  16  -1.518   3.228   1.855
   91    H    ALA  17           H        ALA  17  -4.476   0.042  -0.534
   92    HA   ALA  17           HA       ALA  17  -4.295  -2.014  -2.273
   93    HB1  ALA  17           1HB      ALA  17  -6.233  -0.606  -2.243
   94    HB2  ALA  17           2HB      ALA  17  -5.308   0.762  -2.863
   95    HB3  ALA  17           3HB      ALA  17  -5.599  -0.643  -3.889
   96    H    LEU  18           H        LEU  18  -2.769  -2.689  -3.616
   97    HA   LEU  18           HA       LEU  18  -0.655  -0.959  -4.495
   98    HB2  LEU  18           1HB      LEU  18  -1.307  -3.816  -5.197
   99    HB3  LEU  18           2HB      LEU  18   0.162  -2.971  -5.681
  100    HG   LEU  18           HG       LEU  18  -0.659  -3.700  -2.871
  101   HD11  LEU  18          1HD1      LEU  18   1.364  -4.766  -4.807
  102   HD12  LEU  18          2HD1      LEU  18   0.153  -5.640  -3.871
  103   HD13  LEU  18          3HD1      LEU  18   1.567  -4.960  -3.066
  104   HD21  LEU  18          1HD2      LEU  18   0.471  -1.528  -2.933
  105   HD22  LEU  18          2HD2      LEU  18   1.802  -2.248  -3.839
  106   HD23  LEU  18          3HD2      LEU  18   1.481  -2.765  -2.183
  107    H    SER  19           H        SER  19  -1.378   0.580  -5.894
  108    HA   SER  19           HA       SER  19  -2.543  -0.393  -8.420
  109    HB2  SER  19           1HB      SER  19  -3.953   1.123  -6.768
  110    HB3  SER  19           2HB      SER  19  -3.020   2.417  -7.519
  111    HG   SER  19           HG       SER  19  -4.312   0.487  -9.109
  112    H    LEU  20           H        LEU  20   0.271   0.285  -7.394
  113    HA   LEU  20           HA       LEU  20   1.037   1.823  -9.762
  114    HB2  LEU  20           1HB      LEU  20   1.865   2.434  -6.934
  115    HB3  LEU  20           2HB      LEU  20   2.727   3.043  -8.346
  116    HG   LEU  20           HG       LEU  20  -0.187   3.613  -7.855
  117   HD11  LEU  20          1HD1      LEU  20   1.941   5.607  -7.255
  118   HD12  LEU  20          2HD1      LEU  20   1.543   4.388  -6.045
  119   HD13  LEU  20          3HD1      LEU  20   0.295   5.488  -6.632
  120   HD21  LEU  20          1HD2      LEU  20   0.114   5.356  -9.450
  121   HD22  LEU  20          2HD2      LEU  20   0.780   3.881 -10.150
  122   HD23  LEU  20          3HD2      LEU  20   1.860   5.107  -9.484
  123    H    PHE  21           H        PHE  21   3.207   1.479 -10.452
  124    HA   PHE  21           HA       PHE  21   4.645  -0.710  -9.139
  125    HB2  PHE  21           1HB      PHE  21   3.362  -1.808 -10.872
  126    HB3  PHE  21           2HB      PHE  21   3.892  -0.628 -12.066
  127    HD1  PHE  21           2HD      PHE  21   6.339  -0.553 -12.680
  128    HD2  PHE  21           1HD      PHE  21   4.610  -3.735 -10.443
  129    HE1  PHE  21           2HE      PHE  21   8.254  -1.989 -13.249
  130    HE2  PHE  21           1HE      PHE  21   6.523  -5.176 -11.008
  131    HZ   PHE  21           HZ       PHE  21   8.348  -4.304 -12.414
  132    H    CYS  22           H        CYS  22   6.833  -0.544  -9.212
  133    HA   CYS  22           HA       CYS  22   7.914   1.830 -10.572
  134    HB2  CYS  22           1HB      CYS  22   8.145   1.827  -8.119
  135    HB3  CYS  22           2HB      CYS  22   9.027   0.306  -8.207
  136    H    TYR  23           H        TYR  23   9.294   1.570 -12.199
  137    HA   TYR  23           HA       TYR  23  10.014  -1.052 -13.088
  138    HB2  TYR  23           1HB      TYR  23  10.370   1.727 -14.087
  139    HB3  TYR  23           2HB      TYR  23  11.483   0.505 -14.692
  140    HD1  TYR  23           1HD      TYR  23   7.954   1.544 -14.543
  141    HD2  TYR  23           2HD      TYR  23  10.745  -1.202 -16.208
  142    HE1  TYR  23           1HE      TYR  23   6.260   0.820 -16.173
  143    HE2  TYR  23           2HE      TYR  23   9.059  -1.933 -17.843
  144    HH   TYR  23           HH       TYR  23   6.297  -0.249 -18.515
  145    H    GLU  24           H        GLU  24  12.096   1.767 -12.411
  146    HA   GLU  24           HA       GLU  24  14.543   0.701 -12.383
  147    HB2  GLU  24           1HB      GLU  24  13.800   3.051 -11.656
  148    HB3  GLU  24           2HB      GLU  24  13.688   2.378 -10.035
  149    HG2  GLU  24           1HG      GLU  24  15.808   3.500 -10.360
  150    HG3  GLU  24           2HG      GLU  24  16.046   1.772 -10.112
  151    H    ASP  25           H        ASP  25  12.258   0.401  -9.684
  152    HA   ASP  25           HA       ASP  25  14.040  -1.327  -8.210
  153    HB2  ASP  25           1HB      ASP  25  11.204  -0.406  -7.736
  154    HB3  ASP  25           2HB      ASP  25  12.033  -1.534  -6.667
  155    H    GLN  26           H        GLN  26  11.282  -1.656 -10.330
  156    HA   GLN  26           HA       GLN  26  10.406  -3.469 -11.395
  157    HB2  GLN  26           1HB      GLN  26  12.975  -4.106 -11.299
  158    HB3  GLN  26           2HB      GLN  26  12.396  -5.329 -10.176
  159    HG2  GLN  26           1HG      GLN  26  12.278  -6.497 -12.119
  160    HG3  GLN  26           2HG      GLN  26  10.662  -5.793 -12.096
  161   HE21  GLN  26          1HE2      GLN  26  10.036  -4.623 -13.782
  162   HE22  GLN  26          2HE2      GLN  26  11.063  -4.071 -15.056
  163    H    GLU  27           H        GLU  27   9.610  -2.681  -8.717
  164    HA   GLU  27           HA       GLU  27   8.315  -5.189  -7.932
  165    HB2  GLU  27           1HB      GLU  27   8.674  -4.691  -5.549
  166    HB3  GLU  27           2HB      GLU  27  10.192  -4.938  -6.402
  167    HG2  GLU  27           1HG      GLU  27  10.123  -2.329  -6.634
  168    HG3  GLU  27           2HG      GLU  27   9.049  -2.450  -5.242
  169    H    ALA  28           H        ALA  28   6.193  -4.963  -7.616
  170    HA   ALA  28           HA       ALA  28   4.790  -2.663  -8.239
  171    HB1  ALA  28           1HB      ALA  28   2.833  -3.753  -7.318
  172    HB2  ALA  28           2HB      ALA  28   3.816  -4.923  -8.200
  173    HB3  ALA  28           3HB      ALA  28   3.852  -4.892  -6.437
  174    H    VAL  29           H        VAL  29   4.355  -0.826  -7.206
  175    HA   VAL  29           HA       VAL  29   4.901  -0.695  -4.313
  176    HB   VAL  29           HB       VAL  29   5.154   1.798  -4.735
  177   HG11  VAL  29          1HG1      VAL  29   7.400   1.538  -4.898
  178   HG12  VAL  29          2HG1      VAL  29   6.976  -0.158  -4.654
  179   HG13  VAL  29          3HG1      VAL  29   7.286   0.451  -6.281
  180   HG21  VAL  29          1HG2      VAL  29   4.121   1.311  -7.157
  181   HG22  VAL  29          2HG2      VAL  29   5.184   2.679  -6.823
  182   HG23  VAL  29          3HG2      VAL  29   5.837   1.211  -7.551
  183    H    CYS  30           H        CYS  30   3.676   1.215  -3.268
  184    HA   CYS  30           HA       CYS  30   0.873   1.105  -4.172
  185    HB2  CYS  30           1HB      CYS  30   0.162   1.201  -1.895
  186    HB3  CYS  30           2HB      CYS  30   1.408  -0.040  -1.986
  187    H    LEU  31           H        LEU  31  -0.358   3.025  -2.917
  188    HA   LEU  31           HA       LEU  31   0.342   5.379  -4.214
  189    HB2  LEU  31           1HB      LEU  31  -1.180   5.328  -1.628
  190    HB3  LEU  31           2HB      LEU  31  -1.359   6.441  -2.983
  191    HG   LEU  31           HG       LEU  31  -2.247   3.564  -2.844
  192   HD11  LEU  31          1HD1      LEU  31  -4.361   4.336  -2.637
  193   HD12  LEU  31          2HD1      LEU  31  -4.046   5.785  -3.591
  194   HD13  LEU  31          3HD1      LEU  31  -3.533   5.711  -1.906
  195   HD21  LEU  31          1HD2      LEU  31  -1.836   3.511  -5.044
  196   HD22  LEU  31          2HD2      LEU  31  -1.613   5.258  -5.142
  197   HD23  LEU  31          3HD2      LEU  31  -3.238   4.572  -5.181
  198    H    ILE  32           H        ILE  32   0.876   4.480  -0.813
  199    HA   ILE  32           HA       ILE  32   2.135   6.819   0.019
  200    HB   ILE  32           HB       ILE  32   2.881   4.073   1.009
  201   HG12  ILE  32          1HG1      ILE  32   0.512   4.050   1.055
  202   HG13  ILE  32          2HG1      ILE  32   1.005   4.489   2.687
  203   HG21  ILE  32          1HG2      ILE  32   4.176   6.073   1.781
  204   HG22  ILE  32          2HG2      ILE  32   2.686   6.681   2.500
  205   HG23  ILE  32          3HG2      ILE  32   3.384   5.164   3.067
  206   HD11  ILE  32          1HD1      ILE  32  -0.553   5.978   0.739
  207   HD12  ILE  32          2HD1      ILE  32  -0.454   6.153   2.491
  208   HD13  ILE  32          3HD1      ILE  32   0.750   6.924   1.459
  209    H    CYS  33           H        CYS  33   3.599   3.826  -1.238
  210    HA   CYS  33           HA       CYS  33   6.263   4.535  -1.087
  211    HB2  CYS  33           1HB      CYS  33   4.756   2.807  -3.038
  212    HB3  CYS  33           2HB      CYS  33   6.498   3.028  -3.167
  213    H    ALA  34           H        ALA  34   4.226   4.838  -4.003
  214    HA   ALA  34           HA       ALA  34   5.894   6.150  -5.683
  215    HB1  ALA  34           1HB      ALA  34   4.072   6.472  -6.935
  216    HB2  ALA  34           2HB      ALA  34   3.199   5.642  -5.646
  217    HB3  ALA  34           3HB      ALA  34   3.261   7.404  -5.675
  218    H    ILE  35           H        ILE  35   4.107   7.590  -2.996
  219    HA   ILE  35           HA       ILE  35   5.289  10.202  -3.549
  220    HB   ILE  35           HB       ILE  35   3.834  11.072  -1.822
  221   HG12  ILE  35          1HG1      ILE  35   2.769   8.278  -1.413
  222   HG13  ILE  35          2HG1      ILE  35   4.021   8.973  -0.389
  223   HG21  ILE  35          1HG2      ILE  35   1.593  10.202  -2.788
  224   HG22  ILE  35          2HG2      ILE  35   2.716  11.052  -3.848
  225   HG23  ILE  35          3HG2      ILE  35   2.621   9.292  -3.895
  226   HD11  ILE  35          1HD1      ILE  35   1.469   9.086   0.251
  227   HD12  ILE  35          2HD1      ILE  35   2.580  10.401   0.634
  228   HD13  ILE  35          3HD1      ILE  35   1.522  10.521  -0.772
  229    H    SER  36           H        SER  36   7.061   8.125  -2.753
  230    HA   SER  36           HA       SER  36   7.848   9.037  -0.063
  231    HB2  SER  36           1HB      SER  36   7.288   6.606  -0.251
  232    HB3  SER  36           2HB      SER  36   8.610   6.432  -1.405
  233    HG   SER  36           HG       SER  36  10.018   7.190   0.265
  234    H    HIS  37           H        HIS  37   9.859   9.846   0.252
  235    HA   HIS  37           HA       HIS  37  11.269  11.127  -1.670
  236    HB2  HIS  37           1HB      HIS  37  12.445   9.786   0.774
  237    HB3  HIS  37           2HB      HIS  37  13.232  11.048  -0.168
  238    HD1  HIS  37           1HD      HIS  37  12.470  11.293   2.882
  239    HD2  HIS  37           2HD      HIS  37  10.289  12.836  -0.300
  240    HE1  HIS  37           1HE      HIS  37  11.115  13.179   3.847
  241    H    THR  38           H        THR  38  11.796   7.779  -0.628
  242    HA   THR  38           HA       THR  38  14.031   7.211  -2.198
  243    HB   THR  38           HB       THR  38  11.816   5.304  -1.419
  244    HG1  THR  38           1HG      THR  38  12.733   6.270   0.410
  245   HG21  THR  38          1HG2      THR  38  14.162   3.894  -1.438
  246   HG22  THR  38          2HG2      THR  38  14.364   4.968  -2.822
  247   HG23  THR  38          3HG2      THR  38  12.968   3.894  -2.736
  248    H    HIS  39           H        HIS  39  10.600   7.159  -2.988
  249    HA   HIS  39           HA       HIS  39  11.281   6.432  -5.757
  250    HB2  HIS  39           1HB      HIS  39   8.640   6.245  -4.294
  251    HB3  HIS  39           2HB      HIS  39   8.879   5.841  -5.992
  252    HD2  HIS  39           2HD      HIS  39   9.547   4.339  -2.468
  253    HE1  HIS  39           1HE      HIS  39  10.678   1.467  -5.379
  254    HE2  HIS  39           2HE      HIS  39  10.221   1.887  -2.938
  255    H    ARG  40           H        ARG  40  11.900   8.968  -5.219
  256    HA   ARG  40           HA       ARG  40   9.627  10.643  -5.991
  257    HB2  ARG  40           1HB      ARG  40  12.260  11.132  -4.697
  258    HB3  ARG  40           2HB      ARG  40  11.594  12.426  -5.684
  259    HG2  ARG  40           1HG      ARG  40   9.967  11.106  -3.543
  260    HG3  ARG  40           2HG      ARG  40  11.081  12.426  -3.179
  261    HD2  ARG  40           1HD      ARG  40   8.851  12.558  -5.205
  262    HD3  ARG  40           2HD      ARG  40   8.750  13.178  -3.558
  263    HE   ARG  40           HE       ARG  40  10.122  14.380  -5.788
  264   HH11  ARG  40          2HH1      ARG  40   9.864  14.196  -2.321
  265   HH12  ARG  40          1HH1      ARG  40  10.565  15.758  -2.055
  266   HH21  ARG  40          2HH2      ARG  40  11.045  16.439  -5.451
  267   HH22  ARG  40          1HH2      ARG  40  11.235  17.034  -3.836
  268    H    ALA  41           H        ALA  41  12.939   9.882  -7.020
  269    HA   ALA  41           HA       ALA  41  12.357  11.107  -9.630
  270    HB1  ALA  41           1HB      ALA  41  14.793  10.844  -8.000
  271    HB2  ALA  41           2HB      ALA  41  15.007  10.601  -9.734
  272    HB3  ALA  41           3HB      ALA  41  14.312  12.107  -9.134
  273    H    HIS  42           H        HIS  42  11.179   8.657  -9.169
  274    HA   HIS  42           HA       HIS  42  12.824   6.817 -10.780
  275    HB2  HIS  42           1HB      HIS  42  10.918   6.340  -8.526
  276    HB3  HIS  42           2HB      HIS  42  11.095   5.101  -9.765
  277    HD2  HIS  42           2HD      HIS  42  14.525   6.309  -9.587
  278    HE1  HIS  42           1HE      HIS  42  14.261   3.627  -6.311
  279    HE2  HIS  42           2HE      HIS  42  15.802   4.988  -7.766
  280    H    THR  43           H        THR  43  11.318   5.155 -11.943
  281    HA   THR  43           HA       THR  43   9.342   6.741 -13.431
  282    HB   THR  43           HB       THR  43  10.675   4.152 -14.247
  283    HG1  THR  43           1HG      THR  43  11.748   6.508 -14.142
  284   HG21  THR  43          1HG2      THR  43   9.044   4.078 -15.773
  285   HG22  THR  43          2HG2      THR  43   9.770   5.515 -16.494
  286   HG23  THR  43          3HG2      THR  43   8.460   5.680 -15.325
  287    H    VAL  44           H        VAL  44   7.709   6.416 -11.799
  288    HA   VAL  44           HA       VAL  44   6.748   3.712 -11.356
  289    HB   VAL  44           HB       VAL  44   5.705   6.372 -10.374
  290   HG11  VAL  44          1HG1      VAL  44   4.496   3.744 -10.394
  291   HG12  VAL  44          2HG1      VAL  44   4.707   4.352  -8.750
  292   HG13  VAL  44          3HG1      VAL  44   3.804   5.299  -9.934
  293   HG21  VAL  44          1HG2      VAL  44   6.832   4.308  -8.568
  294   HG22  VAL  44          2HG2      VAL  44   7.964   5.209  -9.578
  295   HG23  VAL  44          3HG2      VAL  44   6.901   6.067  -8.463
  296    H    VAL  45           H        VAL  45   4.804   2.885 -12.065
  297    HA   VAL  45           HA       VAL  45   3.276   4.510 -13.982
  298    HB   VAL  45           HB       VAL  45   3.121   2.747 -15.558
  299   HG11  VAL  45          1HG1      VAL  45   5.980   2.362 -14.927
  300   HG12  VAL  45          2HG1      VAL  45   5.207   2.884 -16.425
  301   HG13  VAL  45          3HG1      VAL  45   5.433   4.029 -15.101
  302   HG21  VAL  45          1HG2      VAL  45   2.866   0.895 -13.991
  303   HG22  VAL  45          2HG2      VAL  45   4.092   0.529 -15.205
  304   HG23  VAL  45          3HG2      VAL  45   4.577   0.999 -13.576
  305    HA   PRO  46           HA       PRO  46  -0.235   3.133 -11.709
  306    HB2  PRO  46           1HB      PRO  46  -2.149   3.529 -13.593
  307    HB3  PRO  46           2HB      PRO  46  -1.374   4.855 -12.718
  308    HG2  PRO  46           1HG      PRO  46  -0.797   3.803 -15.460
  309    HG3  PRO  46           2HG      PRO  46  -0.904   5.484 -14.906
  310    HD2  PRO  46           1HD      PRO  46   1.462   4.220 -15.278
  311    HD3  PRO  46           2HD      PRO  46   1.229   5.463 -14.033
  312    H    LEU  47           H        LEU  47  -1.037   1.172 -11.288
  313    HA   LEU  47           HA       LEU  47  -0.797  -0.913 -13.308
  314    HB2  LEU  47           1HB      LEU  47  -1.309  -0.920 -10.351
  315    HB3  LEU  47           2HB      LEU  47  -1.525  -2.370 -11.330
  316    HG   LEU  47           HG       LEU  47   1.030  -0.872 -10.790
  317   HD11  LEU  47          1HD1      LEU  47   1.741  -2.846  -9.711
  318   HD12  LEU  47          2HD1      LEU  47   0.377  -3.771 -10.337
  319   HD13  LEU  47          3HD1      LEU  47   0.112  -2.527  -9.115
  320   HD21  LEU  47          1HD2      LEU  47   2.018  -2.770 -12.202
  321   HD22  LEU  47          2HD2      LEU  47   1.257  -1.422 -13.048
  322   HD23  LEU  47          3HD2      LEU  47   0.391  -2.948 -12.859
  323    H    SER  48           H        SER  48  -2.465  -1.865 -14.317
  324    HA   SER  48           HA       SER  48  -5.106  -0.729 -13.948
  325    HB2  SER  48           1HB      SER  48  -3.775  -2.416 -16.015
  326    HB3  SER  48           2HB      SER  48  -5.532  -2.511 -15.884
  327    HG   SER  48           HG       SER  48  -5.698  -0.398 -16.402
  328    H    GLY  49           H        GLY  49  -6.913  -1.789 -13.234
  329    HA2  GLY  49           1HA      GLY  49  -6.417  -4.210 -11.685
  330    HA3  GLY  49           2HA      GLY  49  -7.853  -3.199 -11.609
  331    HA   PRO  50           HA       PRO  50  -8.966  -7.067 -13.890
  332    HB2  PRO  50           1HB      PRO  50 -11.326  -7.423 -12.595
  333    HB3  PRO  50           2HB      PRO  50  -9.787  -8.030 -11.972
  334    HG2  PRO  50           1HG      PRO  50 -11.292  -5.555 -11.216
  335    HG3  PRO  50           2HG      PRO  50 -10.466  -6.726 -10.171
  336    HD2  PRO  50           1HD      PRO  50  -9.363  -4.348 -10.849
  337    HD3  PRO  50           2HD      PRO  50  -8.391  -5.805 -10.566
  338    H    SER  51           H        SER  51 -10.154  -7.073 -15.715
  339    HA   SER  51           HA       SER  51 -11.126  -4.906 -16.975
  340    HB2  SER  51           1HB      SER  51 -10.962  -7.240 -17.915
  341    HB3  SER  51           2HB      SER  51 -12.514  -7.588 -17.154
  342    HG   SER  51           HG       SER  51 -13.504  -6.187 -18.501
  343    H    SER  52           H        SER  52 -12.634  -3.441 -16.580
  344    HA   SER  52           HA       SER  52 -15.075  -4.259 -15.158
  345    HB2  SER  52           1HB      SER  52 -13.816  -3.148 -13.473
  346    HB3  SER  52           2HB      SER  52 -13.319  -1.871 -14.583
  347    HG   SER  52           HG       SER  52 -15.045  -1.285 -13.122
  348    H    GLY  53           H        GLY  53 -16.923  -2.865 -15.529
  349    HA2  GLY  53           1HA      GLY  53 -16.747  -1.508 -18.148
  350    HA3  GLY  53           2HA      GLY  53 -18.168  -2.373 -17.582
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -9.372 -25.715   1.011
    2    HA2  GLY   1           1HA      GLY   1  -9.997 -23.711  -0.704
    3    HA3  GLY   1           2HA      GLY   1  -9.913 -22.884   0.844
    4    H    SER   2           H        SER   2  -7.968 -25.480  -0.628
    5    HA   SER   2           HA       SER   2  -5.542 -24.227   0.307
    6    HB2  SER   2           1HB      SER   2  -4.420 -26.191  -0.699
    7    HB3  SER   2           2HB      SER   2  -5.735 -26.662   0.378
    8    HG   SER   2           HG       SER   2  -6.697 -27.564  -1.250
    9    H    SER   3           H        SER   3  -6.796 -22.497  -1.393
   10    HA   SER   3           HA       SER   3  -5.161 -22.634  -3.841
   11    HB2  SER   3           1HB      SER   3  -7.962 -21.726  -3.362
   12    HB3  SER   3           2HB      SER   3  -7.018 -20.876  -4.586
   13    HG   SER   3           HG       SER   3  -7.513 -22.483  -5.833
   14    H    GLY   4           H        GLY   4  -4.433 -20.558  -4.707
   15    HA2  GLY   4           1HA      GLY   4  -4.179 -18.468  -2.642
   16    HA3  GLY   4           2HA      GLY   4  -2.761 -19.051  -3.502
   17    H    SER   5           H        SER   5  -5.988 -17.683  -4.128
   18    HA   SER   5           HA       SER   5  -4.769 -15.939  -6.143
   19    HB2  SER   5           1HB      SER   5  -5.686 -17.761  -7.441
   20    HB3  SER   5           2HB      SER   5  -7.221 -17.659  -6.579
   21    HG   SER   5           HG       SER   5  -7.392 -15.494  -7.455
   22    H    SER   6           H        SER   6  -5.468 -13.892  -6.046
   23    HA   SER   6           HA       SER   6  -8.031 -13.294  -4.774
   24    HB2  SER   6           1HB      SER   6  -5.341 -12.348  -3.812
   25    HB3  SER   6           2HB      SER   6  -6.796 -11.398  -3.514
   26    HG   SER   6           HG       SER   6  -6.755 -14.134  -2.875
   27    H    GLY   7           H        GLY   7  -8.419 -10.815  -4.898
   28    HA2  GLY   7           1HA      GLY   7  -8.099 -10.094  -7.679
   29    HA3  GLY   7           2HA      GLY   7  -9.027  -9.218  -6.471
   30    H    GLU   8           H        GLU   8  -7.581  -8.180  -4.716
   31    HA   GLU   8           HA       GLU   8  -5.229  -6.987  -6.032
   32    HB2  GLU   8           1HB      GLU   8  -5.746  -4.868  -4.974
   33    HB3  GLU   8           2HB      GLU   8  -7.127  -5.411  -5.917
   34    HG2  GLU   8           1HG      GLU   8  -6.873  -5.806  -2.948
   35    HG3  GLU   8           2HG      GLU   8  -7.685  -4.430  -3.694
   36    H    SER   9           H        SER   9  -3.733  -5.920  -4.402
   37    HA   SER   9           HA       SER   9  -3.653  -7.420  -1.875
   38    HB2  SER   9           1HB      SER   9  -1.371  -7.057  -3.828
   39    HB3  SER   9           2HB      SER   9  -1.165  -7.629  -2.172
   40    HG   SER   9           HG       SER   9  -2.219  -8.923  -4.385
   41    H    LEU  10           H        LEU  10  -1.918  -6.459  -0.386
   42    HA   LEU  10           HA       LEU  10  -1.910  -3.525  -0.658
   43    HB2  LEU  10           1HB      LEU  10  -2.312  -5.185   1.824
   44    HB3  LEU  10           2HB      LEU  10  -2.039  -3.444   1.831
   45    HG   LEU  10           HG       LEU  10  -4.390  -4.794   0.509
   46   HD11  LEU  10          1HD1      LEU  10  -5.676  -4.391   2.380
   47   HD12  LEU  10          2HD1      LEU  10  -4.558  -3.188   3.022
   48   HD13  LEU  10          3HD1      LEU  10  -4.146  -4.901   3.095
   49   HD21  LEU  10          1HD2      LEU  10  -3.987  -1.895   1.218
   50   HD22  LEU  10          2HD2      LEU  10  -5.289  -2.605   0.264
   51   HD23  LEU  10          3HD2      LEU  10  -3.646  -2.567  -0.377
   52    H    CYS  11           H        CYS  11  -0.080  -2.427   0.023
   53    HA   CYS  11           HA       CYS  11   2.386  -3.606  -0.351
   54    HB2  CYS  11           1HB      CYS  11   1.739  -1.106  -0.228
   55    HB3  CYS  11           2HB      CYS  11   2.039  -1.260   1.499
   56    HA   PRO  12           HA       PRO  12   3.037  -5.962   3.332
   57    HB2  PRO  12           1HB      PRO  12   5.696  -6.401   3.006
   58    HB3  PRO  12           2HB      PRO  12   4.460  -7.245   2.065
   59    HG2  PRO  12           1HG      PRO  12   6.131  -4.878   1.309
   60    HG3  PRO  12           2HG      PRO  12   5.711  -6.305   0.344
   61    HD2  PRO  12           1HD      PRO  12   4.441  -3.930   0.062
   62    HD3  PRO  12           2HD      PRO  12   3.623  -5.485  -0.189
   63    H    GLN  13           H        GLN  13   4.028  -2.840   2.816
   64    HA   GLN  13           HA       GLN  13   5.171  -2.669   5.522
   65    HB2  GLN  13           1HB      GLN  13   6.066  -1.156   3.064
   66    HB3  GLN  13           2HB      GLN  13   6.600  -0.796   4.701
   67    HG2  GLN  13           1HG      GLN  13   7.607  -3.000   4.876
   68    HG3  GLN  13           2HG      GLN  13   7.037  -3.400   3.257
   69   HE21  GLN  13          1HE2      GLN  13   7.699  -1.638   1.598
   70   HE22  GLN  13          2HE2      GLN  13   9.362  -1.173   1.655
   71    H    HIS  14           H        HIS  14   3.373  -1.076   2.944
   72    HA   HIS  14           HA       HIS  14   2.439   0.952   4.849
   73    HB2  HIS  14           1HB      HIS  14   2.168   0.845   1.837
   74    HB3  HIS  14           2HB      HIS  14   1.614   2.163   2.867
   75    HD2  HIS  14           2HD      HIS  14   3.842   3.504   4.240
   76    HE1  HIS  14           1HE      HIS  14   6.585   2.396   1.199
   77    HE2  HIS  14           2HE      HIS  14   6.204   3.828   3.236
   78    H    HIS  15           H        HIS  15   1.499  -1.938   3.356
   79    HA   HIS  15           HA       HIS  15  -0.483  -3.048   3.129
   80    HB2  HIS  15           1HB      HIS  15  -1.063  -1.467   5.642
   81    HB3  HIS  15           2HB      HIS  15  -2.002  -2.850   5.087
   82    HD1  HIS  15           1HD      HIS  15  -1.459  -4.720   6.608
   83    HD2  HIS  15           2HD      HIS  15   1.927  -2.556   5.552
   84    HE1  HIS  15           1HE      HIS  15   0.473  -5.939   7.660
   85    H    GLU  16           H        GLU  16  -0.370  -0.837   1.477
   86    HA   GLU  16           HA       GLU  16  -3.119   0.219   1.604
   87    HB2  GLU  16           1HB      GLU  16  -0.654   1.437   0.348
   88    HB3  GLU  16           2HB      GLU  16  -2.276   2.099   0.204
   89    HG2  GLU  16           1HG      GLU  16  -0.544   1.909   2.641
   90    HG3  GLU  16           2HG      GLU  16  -1.247   3.343   1.894
   91    H    ALA  17           H        ALA  17  -4.210   0.539  -0.445
   92    HA   ALA  17           HA       ALA  17  -4.331  -1.683  -2.051
   93    HB1  ALA  17           1HB      ALA  17  -5.334  -0.023  -3.779
   94    HB2  ALA  17           2HB      ALA  17  -6.154  -0.278  -2.239
   95    HB3  ALA  17           3HB      ALA  17  -5.157   1.156  -2.480
   96    H    LEU  18           H        LEU  18  -2.947  -2.565  -3.428
   97    HA   LEU  18           HA       LEU  18  -0.701  -1.042  -4.435
   98    HB2  LEU  18           1HB      LEU  18  -1.481  -3.925  -4.845
   99    HB3  LEU  18           2HB      LEU  18   0.032  -3.195  -5.378
  100    HG   LEU  18           HG       LEU  18  -0.860  -3.597  -2.523
  101   HD11  LEU  18          1HD1      LEU  18  -0.033  -5.570  -3.952
  102   HD12  LEU  18          2HD1      LEU  18   0.711  -5.302  -2.376
  103   HD13  LEU  18          3HD1      LEU  18   1.547  -4.794  -3.844
  104   HD21  LEU  18          1HD2      LEU  18   0.418  -1.510  -2.845
  105   HD22  LEU  18          2HD2      LEU  18   1.724  -2.447  -3.572
  106   HD23  LEU  18          3HD2      LEU  18   1.289  -2.703  -1.881
  107    H    SER  19           H        SER  19  -1.124   0.273  -6.098
  108    HA   SER  19           HA       SER  19  -2.509  -0.876  -8.428
  109    HB2  SER  19           1HB      SER  19  -2.822   1.876  -7.227
  110    HB3  SER  19           2HB      SER  19  -3.315   1.502  -8.878
  111    HG   SER  19           HG       SER  19  -4.206  -0.161  -6.815
  112    H    LEU  20           H        LEU  20   0.032   1.141  -7.171
  113    HA   LEU  20           HA       LEU  20   0.980   1.858  -9.827
  114    HB2  LEU  20           1HB      LEU  20   2.073   2.467  -7.085
  115    HB3  LEU  20           2HB      LEU  20   2.750   3.071  -8.596
  116    HG   LEU  20           HG       LEU  20  -0.064   3.677  -7.713
  117   HD11  LEU  20          1HD1      LEU  20   0.987   5.945  -7.137
  118   HD12  LEU  20          2HD1      LEU  20   2.511   5.062  -7.053
  119   HD13  LEU  20          3HD1      LEU  20   1.178   4.624  -5.984
  120   HD21  LEU  20          1HD2      LEU  20   1.661   5.318  -9.525
  121   HD22  LEU  20          2HD2      LEU  20  -0.098   5.248  -9.413
  122   HD23  LEU  20          3HD2      LEU  20   0.793   3.914 -10.147
  123    H    PHE  21           H        PHE  21   3.406   1.608 -10.201
  124    HA   PHE  21           HA       PHE  21   4.516  -0.829  -9.046
  125    HB2  PHE  21           1HB      PHE  21   3.453  -1.830 -10.887
  126    HB3  PHE  21           2HB      PHE  21   3.811  -0.470 -11.947
  127    HD1  PHE  21           1HD      PHE  21   5.225  -3.430 -10.281
  128    HD2  PHE  21           2HD      PHE  21   5.865  -0.336 -13.133
  129    HE1  PHE  21           1HE      PHE  21   7.222  -4.608 -11.106
  130    HE2  PHE  21           2HE      PHE  21   7.861  -1.509 -13.963
  131    HZ   PHE  21           HZ       PHE  21   8.542  -3.648 -12.950
  132    H    CYS  22           H        CYS  22   6.709  -0.831  -8.934
  133    HA   CYS  22           HA       CYS  22   8.050   1.620  -9.799
  134    HB2  CYS  22           1HB      CYS  22   8.250   0.921  -7.431
  135    HB3  CYS  22           2HB      CYS  22   9.031  -0.568  -7.954
  136    H    TYR  23           H        TYR  23   9.007   1.569 -11.717
  137    HA   TYR  23           HA       TYR  23   9.750  -0.885 -12.997
  138    HB2  TYR  23           1HB      TYR  23   8.972   1.446 -14.001
  139    HB3  TYR  23           2HB      TYR  23  10.705   1.752 -14.016
  140    HD1  TYR  23           2HD      TYR  23  12.200   0.117 -15.262
  141    HD2  TYR  23           1HD      TYR  23   7.966   0.142 -15.676
  142    HE1  TYR  23           2HE      TYR  23  12.405  -1.127 -17.374
  143    HE2  TYR  23           1HE      TYR  23   8.159  -1.102 -17.789
  144    HH   TYR  23           HH       TYR  23   9.533  -2.014 -19.270
  145    H    GLU  24           H        GLU  24  11.441   1.719 -11.344
  146    HA   GLU  24           HA       GLU  24  14.064   1.027 -12.069
  147    HB2  GLU  24           1HB      GLU  24  12.812   2.622  -9.893
  148    HB3  GLU  24           2HB      GLU  24  14.481   2.119  -9.664
  149    HG2  GLU  24           1HG      GLU  24  14.735   3.083 -12.108
  150    HG3  GLU  24           2HG      GLU  24  13.320   4.017 -11.625
  151    H    ASP  25           H        ASP  25  11.924  -0.185  -9.571
  152    HA   ASP  25           HA       ASP  25  14.027  -2.062  -8.718
  153    HB2  ASP  25           1HB      ASP  25  11.549  -1.173  -7.227
  154    HB3  ASP  25           2HB      ASP  25  12.747  -2.318  -6.629
  155    H    GLN  26           H        GLN  26  11.858  -2.080 -10.944
  156    HA   GLN  26           HA       GLN  26  10.221  -3.506 -11.746
  157    HB2  GLN  26           1HB      GLN  26  12.716  -5.014 -11.171
  158    HB3  GLN  26           2HB      GLN  26  11.300  -5.950 -11.628
  159    HG2  GLN  26           1HG      GLN  26  12.627  -5.479 -13.575
  160    HG3  GLN  26           2HG      GLN  26  11.097  -4.608 -13.675
  161   HE21  GLN  26          1HE2      GLN  26  11.852  -3.057 -15.071
  162   HE22  GLN  26          2HE2      GLN  26  12.992  -1.845 -14.605
  163    H    GLU  27           H        GLU  27   9.293  -2.865  -9.346
  164    HA   GLU  27           HA       GLU  27   8.045  -5.330  -8.463
  165    HB2  GLU  27           1HB      GLU  27   8.651  -5.209  -6.197
  166    HB3  GLU  27           2HB      GLU  27  10.154  -4.934  -7.067
  167    HG2  GLU  27           1HG      GLU  27  10.019  -2.572  -6.670
  168    HG3  GLU  27           2HG      GLU  27   8.420  -2.746  -5.948
  169    H    ALA  28           H        ALA  28   6.010  -5.033  -7.637
  170    HA   ALA  28           HA       ALA  28   4.619  -2.701  -8.311
  171    HB1  ALA  28           1HB      ALA  28   3.670  -4.640  -6.225
  172    HB2  ALA  28           2HB      ALA  28   2.718  -3.705  -7.379
  173    HB3  ALA  28           3HB      ALA  28   3.706  -5.054  -7.939
  174    H    VAL  29           H        VAL  29   3.480  -1.213  -6.898
  175    HA   VAL  29           HA       VAL  29   4.611  -0.867  -4.225
  176    HB   VAL  29           HB       VAL  29   4.901   1.598  -4.675
  177   HG11  VAL  29          1HG1      VAL  29   7.124   1.357  -5.467
  178   HG12  VAL  29          2HG1      VAL  29   6.751  -0.110  -4.561
  179   HG13  VAL  29          3HG1      VAL  29   6.730  -0.132  -6.325
  180   HG21  VAL  29          1HG2      VAL  29   4.646   2.507  -6.717
  181   HG22  VAL  29          2HG2      VAL  29   5.314   1.099  -7.543
  182   HG23  VAL  29          3HG2      VAL  29   3.631   1.096  -7.017
  183    H    CYS  30           H        CYS  30   3.525   1.364  -3.361
  184    HA   CYS  30           HA       CYS  30   0.655   1.207  -4.002
  185    HB2  CYS  30           1HB      CYS  30   0.090   1.386  -1.668
  186    HB3  CYS  30           2HB      CYS  30   1.207   0.039  -1.861
  187    H    LEU  31           H        LEU  31  -0.550   3.153  -3.097
  188    HA   LEU  31           HA       LEU  31   0.232   5.470  -4.301
  189    HB2  LEU  31           1HB      LEU  31  -1.979   4.851  -3.132
  190    HB3  LEU  31           2HB      LEU  31  -1.241   5.547  -1.691
  191    HG   LEU  31           HG       LEU  31  -2.709   7.152  -2.761
  192   HD11  LEU  31          1HD1      LEU  31  -1.341   8.904  -2.400
  193   HD12  LEU  31          2HD1      LEU  31  -0.096   8.299  -3.492
  194   HD13  LEU  31          3HD1      LEU  31  -0.224   7.651  -1.857
  195   HD21  LEU  31          1HD2      LEU  31  -1.071   7.616  -5.123
  196   HD22  LEU  31          2HD2      LEU  31  -2.823   7.500  -4.963
  197   HD23  LEU  31          3HD2      LEU  31  -1.853   6.035  -5.125
  198    H    ILE  32           H        ILE  32   0.761   4.642  -0.879
  199    HA   ILE  32           HA       ILE  32   2.094   6.945  -0.098
  200    HB   ILE  32           HB       ILE  32   2.682   4.147   0.874
  201   HG12  ILE  32          1HG1      ILE  32   0.289   4.630   1.002
  202   HG13  ILE  32          2HG1      ILE  32   0.997   4.614   2.613
  203   HG21  ILE  32          1HG2      ILE  32   4.109   5.083   2.289
  204   HG22  ILE  32          2HG2      ILE  32   3.829   6.646   1.525
  205   HG23  ILE  32          3HG2      ILE  32   2.839   6.145   2.896
  206   HD11  ILE  32          1HD1      ILE  32  -0.172   6.511   2.850
  207   HD12  ILE  32          2HD1      ILE  32   1.205   7.232   2.015
  208   HD13  ILE  32          3HD1      ILE  32  -0.249   6.806   1.113
  209    H    CYS  33           H        CYS  33   3.643   3.856  -0.999
  210    HA   CYS  33           HA       CYS  33   6.247   4.464  -0.997
  211    HB2  CYS  33           1HB      CYS  33   4.632   2.882  -2.961
  212    HB3  CYS  33           2HB      CYS  33   6.353   3.116  -3.249
  213    H    ALA  34           H        ALA  34   4.216   5.098  -3.862
  214    HA   ALA  34           HA       ALA  34   6.073   6.484  -5.369
  215    HB1  ALA  34           1HB      ALA  34   3.624   7.737  -5.879
  216    HB2  ALA  34           2HB      ALA  34   4.336   6.378  -6.749
  217    HB3  ALA  34           3HB      ALA  34   3.227   6.083  -5.410
  218    H    ILE  35           H        ILE  35   3.604   7.908  -3.220
  219    HA   ILE  35           HA       ILE  35   4.846  10.508  -3.385
  220    HB   ILE  35           HB       ILE  35   3.096  11.209  -1.784
  221   HG12  ILE  35          1HG1      ILE  35   1.257   9.226  -1.660
  222   HG13  ILE  35          2HG1      ILE  35   2.737   8.276  -1.609
  223   HG21  ILE  35          1HG2      ILE  35   1.194  10.105  -3.453
  224   HG22  ILE  35          2HG2      ILE  35   2.085  11.600  -3.731
  225   HG23  ILE  35          3HG2      ILE  35   2.665  10.087  -4.426
  226   HD11  ILE  35          1HD1      ILE  35   1.907   8.805   0.622
  227   HD12  ILE  35          2HD1      ILE  35   3.490   9.527   0.329
  228   HD13  ILE  35          3HD1      ILE  35   2.038  10.526   0.262
  229    H    SER  36           H        SER  36   6.155   8.060  -2.089
  230    HA   SER  36           HA       SER  36   6.871   9.397   0.438
  231    HB2  SER  36           1HB      SER  36   5.543   7.257   0.713
  232    HB3  SER  36           2HB      SER  36   6.914   6.406   0.002
  233    HG   SER  36           HG       SER  36   7.216   6.347   2.183
  234    H    HIS  37           H        HIS  37   9.062   8.853   1.223
  235    HA   HIS  37           HA       HIS  37  11.016   9.393  -0.687
  236    HB2  HIS  37           1HB      HIS  37  11.163   8.292   2.111
  237    HB3  HIS  37           2HB      HIS  37  12.616   8.543   1.148
  238    HD1  HIS  37           1HD      HIS  37  12.645  11.171   0.098
  239    HD2  HIS  37           2HD      HIS  37  10.615  10.434   3.647
  240    HE1  HIS  37           1HE      HIS  37  12.431  13.408   1.227
  241    H    THR  38           H        THR  38  10.189   6.302   0.864
  242    HA   THR  38           HA       THR  38  12.026   4.583  -0.071
  243    HB   THR  38           HB       THR  38   9.061   4.018  -0.260
  244    HG1  THR  38           1HG      THR  38  10.872   3.983   1.930
  245   HG21  THR  38          1HG2      THR  38  11.114   1.997   0.504
  246   HG22  THR  38          2HG2      THR  38  10.942   2.420  -1.200
  247   HG23  THR  38          3HG2      THR  38   9.564   1.779  -0.306
  248    H    HIS  39           H        HIS  39   9.225   5.682  -1.977
  249    HA   HIS  39           HA       HIS  39  10.750   5.064  -4.412
  250    HB2  HIS  39           1HB      HIS  39   7.794   4.518  -4.087
  251    HB3  HIS  39           2HB      HIS  39   8.792   4.145  -5.490
  252    HD2  HIS  39           2HD      HIS  39   8.285   2.837  -1.815
  253    HE1  HIS  39           1HE      HIS  39  10.289  -0.130  -4.091
  254    HE2  HIS  39           2HE      HIS  39   9.140   0.397  -1.913
  255    H    ARG  40           H        ARG  40  11.153   7.423  -4.120
  256    HA   ARG  40           HA       ARG  40   8.877   9.079  -4.959
  257    HB2  ARG  40           1HB      ARG  40  10.196   9.707  -2.904
  258    HB3  ARG  40           2HB      ARG  40  11.568  10.015  -3.960
  259    HG2  ARG  40           1HG      ARG  40  10.735  12.120  -3.806
  260    HG3  ARG  40           2HG      ARG  40   9.815  11.552  -5.200
  261    HD2  ARG  40           1HD      ARG  40   7.871  11.268  -3.960
  262    HD3  ARG  40           2HD      ARG  40   8.742  11.200  -2.429
  263    HE   ARG  40           HE       ARG  40   8.965  13.736  -3.752
  264   HH11  ARG  40          2HH1      ARG  40   7.006  11.788  -1.633
  265   HH12  ARG  40          1HH1      ARG  40   6.241  13.147  -0.878
  266   HH21  ARG  40          2HH2      ARG  40   7.964  15.533  -2.766
  267   HH22  ARG  40          1HH2      ARG  40   6.785  15.276  -1.524
  268    H    ALA  41           H        ALA  41  12.392   8.944  -5.576
  269    HA   ALA  41           HA       ALA  41  12.202  10.319  -8.053
  270    HB1  ALA  41           1HB      ALA  41  14.517   8.542  -7.474
  271    HB2  ALA  41           2HB      ALA  41  14.482  10.170  -8.153
  272    HB3  ALA  41           3HB      ALA  41  14.233   9.929  -6.423
  273    H    HIS  42           H        HIS  42  12.392   6.903  -7.170
  274    HA   HIS  42           HA       HIS  42  12.878   5.638  -9.508
  275    HB2  HIS  42           1HB      HIS  42  10.711   4.927  -7.522
  276    HB3  HIS  42           2HB      HIS  42  11.338   3.838  -8.756
  277    HD2  HIS  42           2HD      HIS  42  14.554   4.909  -7.996
  278    HE1  HIS  42           1HE      HIS  42  13.656   2.738  -4.464
  279    HE2  HIS  42           2HE      HIS  42  15.468   3.830  -5.830
  280    H    THR  43           H        THR  43  11.662   4.880 -11.281
  281    HA   THR  43           HA       THR  43   9.692   6.764 -12.214
  282    HB   THR  43           HB       THR  43  10.714   4.244 -13.539
  283    HG1  THR  43           1HG      THR  43  11.661   6.875 -13.392
  284   HG21  THR  43          1HG2      THR  43   8.643   6.140 -14.248
  285   HG22  THR  43          2HG2      THR  43   9.076   4.610 -15.013
  286   HG23  THR  43          3HG2      THR  43   9.919   6.092 -15.464
  287    H    VAL  44           H        VAL  44   7.997   6.366 -10.689
  288    HA   VAL  44           HA       VAL  44   6.744   3.781 -10.559
  289    HB   VAL  44           HB       VAL  44   5.805   6.469  -9.547
  290   HG11  VAL  44          1HG1      VAL  44   3.823   5.499  -9.259
  291   HG12  VAL  44          2HG1      VAL  44   4.450   3.927  -9.759
  292   HG13  VAL  44          3HG1      VAL  44   4.592   4.441  -8.077
  293   HG21  VAL  44          1HG2      VAL  44   6.752   5.964  -7.507
  294   HG22  VAL  44          2HG2      VAL  44   6.769   4.229  -7.822
  295   HG23  VAL  44          3HG2      VAL  44   7.938   5.281  -8.620
  296    H    VAL  45           H        VAL  45   5.109   3.018 -11.751
  297    HA   VAL  45           HA       VAL  45   3.631   4.890 -13.475
  298    HB   VAL  45           HB       VAL  45   3.661   3.308 -15.309
  299   HG11  VAL  45          1HG1      VAL  45   6.273   3.205 -15.588
  300   HG12  VAL  45          2HG1      VAL  45   5.418   4.748 -15.620
  301   HG13  VAL  45          3HG1      VAL  45   6.247   4.228 -14.153
  302   HG21  VAL  45          1HG2      VAL  45   5.095   1.288 -15.200
  303   HG22  VAL  45          2HG2      VAL  45   5.332   1.588 -13.479
  304   HG23  VAL  45          3HG2      VAL  45   3.721   1.226 -14.097
  305    HA   PRO  46           HA       PRO  46   0.040   2.947 -11.826
  306    HB2  PRO  46           1HB      PRO  46  -1.731   3.596 -13.779
  307    HB3  PRO  46           2HB      PRO  46  -1.120   4.770 -12.608
  308    HG2  PRO  46           1HG      PRO  46  -0.248   4.279 -15.429
  309    HG3  PRO  46           2HG      PRO  46  -0.509   5.820 -14.591
  310    HD2  PRO  46           1HD      PRO  46   1.956   4.762 -14.962
  311    HD3  PRO  46           2HD      PRO  46   1.540   5.738 -13.538
  312    H    LEU  47           H        LEU  47  -0.859   0.964 -11.899
  313    HA   LEU  47           HA       LEU  47  -0.228  -0.730 -14.194
  314    HB2  LEU  47           1HB      LEU  47  -1.193  -1.349 -11.411
  315    HB3  LEU  47           2HB      LEU  47  -1.007  -2.569 -12.668
  316    HG   LEU  47           HG       LEU  47   1.244  -0.868 -11.603
  317   HD11  LEU  47          1HD1      LEU  47   0.255  -3.589 -10.821
  318   HD12  LEU  47          2HD1      LEU  47   0.641  -2.212  -9.790
  319   HD13  LEU  47          3HD1      LEU  47   1.935  -3.107 -10.585
  320   HD21  LEU  47          1HD2      LEU  47   2.205  -3.226 -12.720
  321   HD22  LEU  47          2HD2      LEU  47   2.306  -1.606 -13.412
  322   HD23  LEU  47          3HD2      LEU  47   0.966  -2.669 -13.845
  323    H    SER  48           H        SER  48  -2.201   1.133 -14.718
  324    HA   SER  48           HA       SER  48  -4.600  -0.569 -14.892
  325    HB2  SER  48           1HB      SER  48  -4.480   2.434 -14.524
  326    HB3  SER  48           2HB      SER  48  -5.955   1.521 -14.839
  327    HG   SER  48           HG       SER  48  -5.923   0.743 -12.852
  328    H    GLY  49           H        GLY  49  -3.252   2.406 -16.343
  329    HA2  GLY  49           1HA      GLY  49  -2.575   2.525 -18.637
  330    HA3  GLY  49           2HA      GLY  49  -3.671   1.198 -18.992
  331    HA   PRO  50           HA       PRO  50  -5.663   5.206 -20.271
  332    HB2  PRO  50           1HB      PRO  50  -6.318   4.371 -22.770
  333    HB3  PRO  50           2HB      PRO  50  -4.758   5.105 -22.381
  334    HG2  PRO  50           1HG      PRO  50  -5.467   2.213 -22.689
  335    HG3  PRO  50           2HG      PRO  50  -4.042   3.085 -23.283
  336    HD2  PRO  50           1HD      PRO  50  -3.984   1.550 -21.054
  337    HD3  PRO  50           2HD      PRO  50  -2.982   3.004 -21.238
  338    H    SER  51           H        SER  51  -6.697   1.923 -21.219
  339    HA   SER  51           HA       SER  51  -8.817   1.040 -21.410
  340    HB2  SER  51           1HB      SER  51  -9.934   0.885 -19.227
  341    HB3  SER  51           2HB      SER  51  -8.196   0.635 -19.062
  342    HG   SER  51           HG       SER  51  -9.171   2.094 -17.495
  343    H    SER  52           H        SER  52  -8.774   3.526 -22.639
  344    HA   SER  52           HA       SER  52 -11.304   4.772 -21.804
  345    HB2  SER  52           1HB      SER  52  -9.040   6.084 -22.114
  346    HB3  SER  52           2HB      SER  52  -9.479   6.026 -23.820
  347    HG   SER  52           HG       SER  52 -11.652   6.777 -22.747
  348    H    GLY  53           H        GLY  53 -12.982   3.937 -22.865
  349    HA2  GLY  53           1HA      GLY  53 -12.655   2.940 -25.583
  350    HA3  GLY  53           2HA      GLY  53 -14.081   2.761 -24.571
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -16.960 -18.634 -12.634
    2    HA2  GLY   1           1HA      GLY   1 -15.171 -20.929 -12.222
    3    HA3  GLY   1           2HA      GLY   1 -15.369 -20.286 -13.846
    4    H    SER   2           H        SER   2 -14.855 -18.894 -10.600
    5    HA   SER   2           HA       SER   2 -12.818 -17.137 -11.785
    6    HB2  SER   2           1HB      SER   2 -14.658 -16.860  -9.434
    7    HB3  SER   2           2HB      SER   2 -13.153 -15.942  -9.473
    8    HG   SER   2           HG       SER   2 -14.267 -14.599 -10.643
    9    H    SER   3           H        SER   3 -10.805 -16.866 -10.782
   10    HA   SER   3           HA       SER   3  -9.814 -19.233  -9.481
   11    HB2  SER   3           1HB      SER   3  -8.359 -18.233 -11.088
   12    HB3  SER   3           2HB      SER   3  -8.505 -16.646 -10.333
   13    HG   SER   3           HG       SER   3  -7.607 -18.536  -8.595
   14    H    GLY   4           H        GLY   4  -9.065 -19.452  -7.401
   15    HA2  GLY   4           1HA      GLY   4 -10.302 -18.388  -5.278
   16    HA3  GLY   4           2HA      GLY   4  -8.610 -18.856  -5.201
   17    H    SER   5           H        SER   5 -10.835 -16.282  -5.090
   18    HA   SER   5           HA       SER   5  -8.863 -14.209  -5.550
   19    HB2  SER   5           1HB      SER   5 -11.798 -14.219  -4.897
   20    HB3  SER   5           2HB      SER   5 -10.855 -12.734  -4.768
   21    HG   SER   5           HG       SER   5 -10.708 -14.280  -7.109
   22    H    SER   6           H        SER   6  -7.737 -13.144  -4.039
   23    HA   SER   6           HA       SER   6  -8.387 -13.673  -1.213
   24    HB2  SER   6           1HB      SER   6  -5.791 -13.775  -2.674
   25    HB3  SER   6           2HB      SER   6  -5.774 -13.170  -1.018
   26    HG   SER   6           HG       SER   6  -7.223 -15.490  -1.442
   27    H    GLY   7           H        GLY   7  -9.442 -11.820  -0.686
   28    HA2  GLY   7           1HA      GLY   7  -9.855  -9.547  -0.487
   29    HA3  GLY   7           2HA      GLY   7  -8.223  -9.577   0.165
   30    H    GLU   8           H        GLU   8  -7.332  -7.753  -0.605
   31    HA   GLU   8           HA       GLU   8  -7.138  -7.498  -3.521
   32    HB2  GLU   8           1HB      GLU   8  -7.552  -5.130  -3.453
   33    HB3  GLU   8           2HB      GLU   8  -8.898  -5.951  -2.675
   34    HG2  GLU   8           1HG      GLU   8  -6.614  -4.860  -1.078
   35    HG3  GLU   8           2HG      GLU   8  -7.958  -3.836  -1.581
   36    H    SER   9           H        SER   9  -5.330  -6.157  -4.225
   37    HA   SER   9           HA       SER   9  -2.926  -6.844  -3.022
   38    HB2  SER   9           1HB      SER   9  -1.902  -5.115  -4.486
   39    HB3  SER   9           2HB      SER   9  -3.040  -6.148  -5.352
   40    HG   SER   9           HG       SER   9  -3.070  -3.570  -5.313
   41    H    LEU  10           H        LEU  10  -1.690  -6.004  -1.449
   42    HA   LEU  10           HA       LEU  10  -2.122  -3.288  -0.513
   43    HB2  LEU  10           1HB      LEU  10  -2.461  -5.681   1.289
   44    HB3  LEU  10           2HB      LEU  10  -2.378  -4.006   1.832
   45    HG   LEU  10           HG       LEU  10  -4.526  -5.061   0.000
   46   HD11  LEU  10          1HD1      LEU  10  -5.004  -6.248   1.907
   47   HD12  LEU  10          2HD1      LEU  10  -5.882  -4.749   2.210
   48   HD13  LEU  10          3HD1      LEU  10  -4.316  -5.024   2.975
   49   HD21  LEU  10          1HD2      LEU  10  -4.648  -2.626   1.741
   50   HD22  LEU  10          2HD2      LEU  10  -5.602  -3.024   0.312
   51   HD23  LEU  10          3HD2      LEU  10  -3.908  -2.561   0.141
   52    H    CYS  11           H        CYS  11  -0.257  -2.369   0.074
   53    HA   CYS  11           HA       CYS  11   2.208  -3.580  -0.312
   54    HB2  CYS  11           1HB      CYS  11   1.592  -1.073  -0.096
   55    HB3  CYS  11           2HB      CYS  11   1.852  -1.312   1.629
   56    HA   PRO  12           HA       PRO  12   2.697  -6.101   3.286
   57    HB2  PRO  12           1HB      PRO  12   5.357  -6.575   3.027
   58    HB3  PRO  12           2HB      PRO  12   4.139  -7.355   2.011
   59    HG2  PRO  12           1HG      PRO  12   5.874  -4.990   1.411
   60    HG3  PRO  12           2HG      PRO  12   5.461  -6.367   0.373
   61    HD2  PRO  12           1HD      PRO  12   4.243  -3.959   0.152
   62    HD3  PRO  12           2HD      PRO  12   3.407  -5.487  -0.191
   63    H    GLN  13           H        GLN  13   3.690  -2.974   2.968
   64    HA   GLN  13           HA       GLN  13   4.833  -2.953   5.681
   65    HB2  GLN  13           1HB      GLN  13   5.772  -1.567   3.204
   66    HB3  GLN  13           2HB      GLN  13   6.003  -0.780   4.760
   67    HG2  GLN  13           1HG      GLN  13   7.070  -3.010   5.479
   68    HG3  GLN  13           2HG      GLN  13   7.174  -3.339   3.750
   69   HE21  GLN  13          1HE2      GLN  13   9.404  -3.146   5.395
   70   HE22  GLN  13          2HE2      GLN  13  10.316  -1.753   4.936
   71    H    HIS  14           H        HIS  14   2.960  -1.244   3.235
   72    HA   HIS  14           HA       HIS  14   1.936   0.560   5.319
   73    HB2  HIS  14           1HB      HIS  14   1.746   0.852   2.314
   74    HB3  HIS  14           2HB      HIS  14   1.233   2.037   3.511
   75    HD2  HIS  14           2HD      HIS  14   3.567   2.957   5.139
   76    HE1  HIS  14           1HE      HIS  14   6.163   2.438   1.824
   77    HE2  HIS  14           2HE      HIS  14   5.906   3.411   4.133
   78    H    HIS  15           H        HIS  15   1.107  -2.026   3.219
   79    HA   HIS  15           HA       HIS  15  -0.805  -3.215   2.895
   80    HB2  HIS  15           1HB      HIS  15  -1.588  -1.775   5.434
   81    HB3  HIS  15           2HB      HIS  15  -2.556  -3.048   4.695
   82    HD1  HIS  15           1HD      HIS  15  -2.291  -4.927   6.311
   83    HD2  HIS  15           2HD      HIS  15   1.346  -3.184   5.311
   84    HE1  HIS  15           1HE      HIS  15  -0.534  -6.379   7.373
   85    H    GLU  16           H        GLU  16  -0.484  -0.640   1.607
   86    HA   GLU  16           HA       GLU  16  -3.252   0.321   1.439
   87    HB2  GLU  16           1HB      GLU  16  -0.591   1.531   0.879
   88    HB3  GLU  16           2HB      GLU  16  -1.951   2.074  -0.094
   89    HG2  GLU  16           1HG      GLU  16  -1.541   3.496   1.867
   90    HG3  GLU  16           2HG      GLU  16  -3.147   2.770   1.868
   91    H    ALA  17           H        ALA  17  -4.297   0.536  -0.571
   92    HA   ALA  17           HA       ALA  17  -4.193  -1.573  -2.305
   93    HB1  ALA  17           1HB      ALA  17  -5.430   1.049  -2.296
   94    HB2  ALA  17           2HB      ALA  17  -5.043   0.500  -3.927
   95    HB3  ALA  17           3HB      ALA  17  -6.055  -0.494  -2.880
   96    H    LEU  18           H        LEU  18  -2.716  -2.285  -3.683
   97    HA   LEU  18           HA       LEU  18  -0.536  -0.569  -4.511
   98    HB2  LEU  18           1HB      LEU  18  -1.066  -3.451  -5.213
   99    HB3  LEU  18           2HB      LEU  18   0.446  -2.573  -5.439
  100    HG   LEU  18           HG       LEU  18  -0.790  -3.211  -2.761
  101   HD11  LEU  18          1HD1      LEU  18   0.517  -5.074  -2.596
  102   HD12  LEU  18          2HD1      LEU  18   1.717  -4.473  -3.740
  103   HD13  LEU  18          3HD1      LEU  18   0.177  -5.101  -4.326
  104   HD21  LEU  18          1HD2      LEU  18   0.904  -2.090  -1.786
  105   HD22  LEU  18          2HD2      LEU  18   0.934  -1.213  -3.316
  106   HD23  LEU  18          3HD2      LEU  18   2.064  -2.539  -3.036
  107    H    SER  19           H        SER  19  -1.561   0.898  -5.903
  108    HA   SER  19           HA       SER  19  -2.575  -0.247  -8.420
  109    HB2  SER  19           1HB      SER  19  -3.068   2.505  -7.256
  110    HB3  SER  19           2HB      SER  19  -3.753   1.880  -8.756
  111    HG   SER  19           HG       SER  19  -4.507   1.430  -6.161
  112    H    LEU  20           H        LEU  20   0.221   0.032  -7.833
  113    HA   LEU  20           HA       LEU  20   0.988   1.581 -10.152
  114    HB2  LEU  20           1HB      LEU  20   2.128   2.211  -7.433
  115    HB3  LEU  20           2HB      LEU  20   2.696   2.873  -8.964
  116    HG   LEU  20           HG       LEU  20  -0.110   3.317  -7.984
  117   HD11  LEU  20          1HD1      LEU  20   1.500   4.094  -6.272
  118   HD12  LEU  20          2HD1      LEU  20   0.588   5.405  -7.019
  119   HD13  LEU  20          3HD1      LEU  20   2.260   5.113  -7.495
  120   HD21  LEU  20          1HD2      LEU  20  -0.329   4.707  -9.735
  121   HD22  LEU  20          2HD2      LEU  20   1.016   3.784 -10.406
  122   HD23  LEU  20          3HD2      LEU  20   1.319   5.319  -9.589
  123    H    PHE  21           H        PHE  21   3.527   1.465 -10.327
  124    HA   PHE  21           HA       PHE  21   4.762  -0.836  -9.154
  125    HB2  PHE  21           1HB      PHE  21   3.552  -2.137 -10.701
  126    HB3  PHE  21           2HB      PHE  21   3.752  -0.951 -11.986
  127    HD1  PHE  21           1HD      PHE  21   5.433  -3.582 -10.043
  128    HD2  PHE  21           2HD      PHE  21   5.683  -0.944 -13.374
  129    HE1  PHE  21           1HE      PHE  21   7.388  -4.823 -10.874
  130    HE2  PHE  21           2HE      PHE  21   7.638  -2.181 -14.211
  131    HZ   PHE  21           HZ       PHE  21   8.493  -4.123 -12.961
  132    H    CYS  22           H        CYS  22   6.824  -0.308  -8.927
  133    HA   CYS  22           HA       CYS  22   7.954   1.848 -10.500
  134    HB2  CYS  22           1HB      CYS  22   8.307   1.730  -8.048
  135    HB3  CYS  22           2HB      CYS  22   9.198   0.227  -8.268
  136    H    TYR  23           H        TYR  23   8.490   1.200 -12.515
  137    HA   TYR  23           HA       TYR  23   9.437  -1.326 -13.253
  138    HB2  TYR  23           1HB      TYR  23   8.582   0.745 -14.668
  139    HB3  TYR  23           2HB      TYR  23  10.305   1.080 -14.793
  140    HD1  TYR  23           2HD      TYR  23  11.752  -1.083 -15.439
  141    HD2  TYR  23           1HD      TYR  23   7.629  -0.530 -16.332
  142    HE1  TYR  23           2HE      TYR  23  11.938  -2.709 -17.275
  143    HE2  TYR  23           1HE      TYR  23   7.803  -2.156 -18.170
  144    HH   TYR  23           HH       TYR  23   9.828  -2.996 -19.698
  145    H    GLU  24           H        GLU  24  11.127   1.560 -12.175
  146    HA   GLU  24           HA       GLU  24  13.735   0.888 -12.867
  147    HB2  GLU  24           1HB      GLU  24  12.752   3.043 -11.770
  148    HB3  GLU  24           2HB      GLU  24  13.130   2.233 -10.256
  149    HG2  GLU  24           1HG      GLU  24  14.991   3.556 -10.670
  150    HG3  GLU  24           2HG      GLU  24  15.485   1.951 -11.203
  151    H    ASP  25           H        ASP  25  11.939   0.120  -9.900
  152    HA   ASP  25           HA       ASP  25  14.104  -1.647  -9.043
  153    HB2  ASP  25           1HB      ASP  25  11.652  -0.561  -7.669
  154    HB3  ASP  25           2HB      ASP  25  12.602  -1.871  -6.971
  155    H    GLN  26           H        GLN  26  11.837  -2.022 -11.186
  156    HA   GLN  26           HA       GLN  26  10.390  -3.670 -11.871
  157    HB2  GLN  26           1HB      GLN  26  12.672  -4.573 -12.300
  158    HB3  GLN  26           2HB      GLN  26  12.601  -5.398 -10.748
  159    HG2  GLN  26           1HG      GLN  26  12.046  -6.711 -12.887
  160    HG3  GLN  26           2HG      GLN  26  11.014  -6.909 -11.471
  161   HE21  GLN  26          1HE2      GLN  26  11.247  -4.572 -14.137
  162   HE22  GLN  26          2HE2      GLN  26   9.575  -4.642 -14.568
  163    H    GLU  27           H        GLU  27   9.617  -2.733  -9.369
  164    HA   GLU  27           HA       GLU  27   8.397  -5.154  -8.264
  165    HB2  GLU  27           1HB      GLU  27   9.985  -3.110  -6.738
  166    HB3  GLU  27           2HB      GLU  27   8.711  -4.030  -5.950
  167    HG2  GLU  27           1HG      GLU  27  10.881  -5.419  -7.466
  168    HG3  GLU  27           2HG      GLU  27  11.138  -4.874  -5.809
  169    H    ALA  28           H        ALA  28   6.569  -4.587  -6.751
  170    HA   ALA  28           HA       ALA  28   5.010  -2.439  -7.969
  171    HB1  ALA  28           1HB      ALA  28   4.385  -4.964  -6.581
  172    HB2  ALA  28           2HB      ALA  28   3.264  -3.630  -6.305
  173    HB3  ALA  28           3HB      ALA  28   3.584  -4.188  -7.947
  174    H    VAL  29           H        VAL  29   4.094  -0.757  -6.828
  175    HA   VAL  29           HA       VAL  29   4.860  -0.486  -4.000
  176    HB   VAL  29           HB       VAL  29   5.247   1.951  -4.407
  177   HG11  VAL  29          1HG1      VAL  29   6.962  -0.247  -5.372
  178   HG12  VAL  29          2HG1      VAL  29   7.433   1.381  -5.864
  179   HG13  VAL  29          3HG1      VAL  29   7.275   0.987  -4.152
  180   HG21  VAL  29          1HG2      VAL  29   5.415   1.202  -7.317
  181   HG22  VAL  29          2HG2      VAL  29   3.990   1.952  -6.597
  182   HG23  VAL  29          3HG2      VAL  29   5.532   2.809  -6.600
  183    H    CYS  30           H        CYS  30   3.621   1.302  -2.909
  184    HA   CYS  30           HA       CYS  30   0.851   1.325  -3.913
  185    HB2  CYS  30           1HB      CYS  30   0.092   1.419  -1.638
  186    HB3  CYS  30           2HB      CYS  30   1.263   0.110  -1.756
  187    H    LEU  31           H        LEU  31  -0.321   3.247  -2.511
  188    HA   LEU  31           HA       LEU  31   0.379   5.611  -3.784
  189    HB2  LEU  31           1HB      LEU  31  -1.773   5.632  -3.008
  190    HB3  LEU  31           2HB      LEU  31  -1.336   4.911  -1.460
  191    HG   LEU  31           HG       LEU  31  -0.257   7.172  -0.923
  192   HD11  LEU  31          1HD1      LEU  31  -0.237   8.690  -2.539
  193   HD12  LEU  31          2HD1      LEU  31  -1.993   8.780  -2.411
  194   HD13  LEU  31          3HD1      LEU  31  -1.250   7.680  -3.571
  195   HD21  LEU  31          1HD2      LEU  31  -3.115   7.724  -1.128
  196   HD22  LEU  31          2HD2      LEU  31  -2.085   7.579   0.297
  197   HD23  LEU  31          3HD2      LEU  31  -2.752   6.132  -0.461
  198    H    ILE  32           H        ILE  32   0.753   4.968  -0.292
  199    HA   ILE  32           HA       ILE  32   2.238   7.154   0.409
  200    HB   ILE  32           HB       ILE  32   2.555   4.336   1.447
  201   HG12  ILE  32          1HG1      ILE  32   1.151   6.522   2.916
  202   HG13  ILE  32          2HG1      ILE  32   0.317   5.762   1.564
  203   HG21  ILE  32          1HG2      ILE  32   4.181   5.036   2.786
  204   HG22  ILE  32          2HG2      ILE  32   4.180   6.577   1.930
  205   HG23  ILE  32          3HG2      ILE  32   3.179   6.366   3.367
  206   HD11  ILE  32          1HD1      ILE  32  -0.173   4.801   3.822
  207   HD12  ILE  32          2HD1      ILE  32   0.378   3.641   2.613
  208   HD13  ILE  32          3HD1      ILE  32   1.490   4.215   3.856
  209    H    CYS  33           H        CYS  33   3.616   3.995  -0.523
  210    HA   CYS  33           HA       CYS  33   6.270   4.525  -0.477
  211    HB2  CYS  33           1HB      CYS  33   4.623   2.902  -2.389
  212    HB3  CYS  33           2HB      CYS  33   6.362   3.042  -2.622
  213    H    ALA  34           H        ALA  34   4.046   5.399  -3.097
  214    HA   ALA  34           HA       ALA  34   5.978   6.533  -4.807
  215    HB1  ALA  34           1HB      ALA  34   3.006   6.824  -4.566
  216    HB2  ALA  34           2HB      ALA  34   3.924   7.788  -5.723
  217    HB3  ALA  34           3HB      ALA  34   3.948   6.027  -5.826
  218    H    ILE  35           H        ILE  35   3.467   8.364  -3.065
  219    HA   ILE  35           HA       ILE  35   4.548  10.863  -3.276
  220    HB   ILE  35           HB       ILE  35   3.392  11.425  -1.131
  221   HG12  ILE  35          1HG1      ILE  35   2.446   8.565  -1.125
  222   HG13  ILE  35          2HG1      ILE  35   3.841   9.078  -0.181
  223   HG21  ILE  35          1HG2      ILE  35   1.602   9.748  -2.856
  224   HG22  ILE  35          2HG2      ILE  35   1.246  11.271  -2.043
  225   HG23  ILE  35          3HG2      ILE  35   2.314  11.250  -3.446
  226   HD11  ILE  35          1HD1      ILE  35   1.742  10.887   0.360
  227   HD12  ILE  35          2HD1      ILE  35   1.088   9.252   0.471
  228   HD13  ILE  35          3HD1      ILE  35   2.488   9.711   1.441
  229    H    SER  36           H        SER  36   5.601   8.268  -1.221
  230    HA   SER  36           HA       SER  36   7.157   9.838   0.573
  231    HB2  SER  36           1HB      SER  36   6.870   6.938  -0.041
  232    HB3  SER  36           2HB      SER  36   8.341   7.451   0.786
  233    HG   SER  36           HG       SER  36   6.651   8.652   2.162
  234    H    HIS  37           H        HIS  37   9.436  10.037   0.667
  235    HA   HIS  37           HA       HIS  37  10.650  10.467  -1.896
  236    HB2  HIS  37           1HB      HIS  37  11.635  10.785   0.937
  237    HB3  HIS  37           2HB      HIS  37  12.665  11.087  -0.460
  238    HD1  HIS  37           1HD      HIS  37  10.593  12.832   1.817
  239    HD2  HIS  37           2HD      HIS  37  11.256  13.087  -2.277
  240    HE1  HIS  37           1HE      HIS  37   9.810  15.127   1.150
  241    H    THR  38           H        THR  38  10.038   7.830  -1.808
  242    HA   THR  38           HA       THR  38  12.662   6.531  -1.457
  243    HB   THR  38           HB       THR  38   9.965   5.178  -1.256
  244    HG1  THR  38           1HG      THR  38  11.600   6.419   0.631
  245   HG21  THR  38          1HG2      THR  38  12.269   4.000  -1.941
  246   HG22  THR  38          2HG2      THR  38  11.054   3.205  -0.941
  247   HG23  THR  38          3HG2      THR  38  12.452   3.972  -0.188
  248    H    HIS  39           H        HIS  39   9.661   6.555  -3.349
  249    HA   HIS  39           HA       HIS  39  11.201   5.518  -5.636
  250    HB2  HIS  39           1HB      HIS  39   8.367   4.859  -4.826
  251    HB3  HIS  39           2HB      HIS  39   9.034   4.476  -6.410
  252    HD2  HIS  39           2HD      HIS  39   8.820   2.966  -2.930
  253    HE1  HIS  39           1HE      HIS  39  11.792   0.774  -5.018
  254    HE2  HIS  39           2HE      HIS  39  10.276   0.830  -3.007
  255    H    ARG  40           H        ARG  40  10.736   8.271  -4.898
  256    HA   ARG  40           HA       ARG  40   8.679   9.276  -6.659
  257    HB2  ARG  40           1HB      ARG  40  10.551  10.420  -4.669
  258    HB3  ARG  40           2HB      ARG  40  10.075  11.483  -5.986
  259    HG2  ARG  40           1HG      ARG  40   7.673  10.843  -5.399
  260    HG3  ARG  40           2HG      ARG  40   8.349  10.200  -3.900
  261    HD2  ARG  40           1HD      ARG  40   7.632  12.428  -3.461
  262    HD3  ARG  40           2HD      ARG  40   9.394  12.442  -3.515
  263    HE   ARG  40           HE       ARG  40   9.308  13.734  -5.424
  264   HH11  ARG  40          2HH1      ARG  40   6.125  12.583  -4.609
  265   HH12  ARG  40          1HH1      ARG  40   5.318  13.626  -5.731
  266   HH21  ARG  40          2HH2      ARG  40   8.256  15.113  -6.906
  267   HH22  ARG  40          1HH2      ARG  40   6.531  15.065  -7.038
  268    H    ALA  41           H        ALA  41  12.233   9.397  -6.534
  269    HA   ALA  41           HA       ALA  41  12.369  10.556  -9.185
  270    HB1  ALA  41           1HB      ALA  41  14.671  10.805  -8.826
  271    HB2  ALA  41           2HB      ALA  41  13.938  11.091  -7.247
  272    HB3  ALA  41           3HB      ALA  41  14.705   9.542  -7.595
  273    H    HIS  42           H        HIS  42  11.161   7.921  -8.917
  274    HA   HIS  42           HA       HIS  42  13.054   6.368 -10.557
  275    HB2  HIS  42           1HB      HIS  42  11.249   5.532  -8.335
  276    HB3  HIS  42           2HB      HIS  42  11.498   4.406  -9.665
  277    HD2  HIS  42           2HD      HIS  42  14.698   6.326  -8.948
  278    HE1  HIS  42           1HE      HIS  42  14.972   2.674  -6.806
  279    HE2  HIS  42           2HE      HIS  42  16.189   4.756  -7.533
  280    H    THR  43           H        THR  43  11.894   4.736 -11.977
  281    HA   THR  43           HA       THR  43   9.888   6.158 -13.498
  282    HB   THR  43           HB       THR  43  11.187   3.473 -13.999
  283    HG1  THR  43           1HG      THR  43  12.745   4.646 -14.800
  284   HG21  THR  43          1HG2      THR  43   8.868   4.617 -15.159
  285   HG22  THR  43          2HG2      THR  43   9.726   3.156 -15.649
  286   HG23  THR  43          3HG2      THR  43  10.161   4.713 -16.354
  287    H    VAL  44           H        VAL  44   8.120   6.093 -12.029
  288    HA   VAL  44           HA       VAL  44   6.994   3.484 -11.378
  289    HB   VAL  44           HB       VAL  44   6.052   6.259 -10.643
  290   HG11  VAL  44          1HG1      VAL  44   4.147   4.855 -10.638
  291   HG12  VAL  44          2HG1      VAL  44   5.036   3.531  -9.883
  292   HG13  VAL  44          3HG1      VAL  44   4.667   4.987  -8.958
  293   HG21  VAL  44          1HG2      VAL  44   7.811   6.123  -9.250
  294   HG22  VAL  44          2HG2      VAL  44   6.774   5.035  -8.326
  295   HG23  VAL  44          3HG2      VAL  44   7.963   4.377  -9.450
  296    H    VAL  45           H        VAL  45   5.169   2.645 -12.252
  297    HA   VAL  45           HA       VAL  45   3.642   4.279 -14.152
  298    HB   VAL  45           HB       VAL  45   3.584   2.495 -15.795
  299   HG11  VAL  45          1HG1      VAL  45   6.433   2.449 -15.662
  300   HG12  VAL  45          2HG1      VAL  45   5.388   3.407 -16.713
  301   HG13  VAL  45          3HG1      VAL  45   5.861   4.030 -15.132
  302   HG21  VAL  45          1HG2      VAL  45   5.453   0.657 -15.322
  303   HG22  VAL  45          2HG2      VAL  45   4.987   0.997 -13.656
  304   HG23  VAL  45          3HG2      VAL  45   3.776   0.451 -14.816
  305    HA   PRO  46           HA       PRO  46   0.165   2.512 -12.109
  306    HB2  PRO  46           1HB      PRO  46  -1.713   2.917 -14.027
  307    HB3  PRO  46           2HB      PRO  46  -1.057   4.223 -13.033
  308    HG2  PRO  46           1HG      PRO  46  -0.326   3.416 -15.821
  309    HG3  PRO  46           2HG      PRO  46  -0.564   5.041 -15.153
  310    HD2  PRO  46           1HD      PRO  46   1.892   3.966 -15.529
  311    HD3  PRO  46           2HD      PRO  46   1.537   5.097 -14.208
  312    H    LEU  47           H        LEU  47  -0.488   0.471 -11.853
  313    HA   LEU  47           HA       LEU  47   0.055  -1.486 -13.904
  314    HB2  LEU  47           1HB      LEU  47  -0.854  -1.574 -11.062
  315    HB3  LEU  47           2HB      LEU  47  -1.064  -2.994 -12.084
  316    HG   LEU  47           HG       LEU  47   1.598  -1.662 -11.611
  317   HD11  LEU  47          1HD1      LEU  47   0.451  -4.084 -10.232
  318   HD12  LEU  47          2HD1      LEU  47   0.652  -2.494  -9.499
  319   HD13  LEU  47          3HD1      LEU  47   2.067  -3.414 -10.011
  320   HD21  LEU  47          1HD2      LEU  47   2.452  -3.844 -12.408
  321   HD22  LEU  47          2HD2      LEU  47   1.526  -2.972 -13.631
  322   HD23  LEU  47          3HD2      LEU  47   0.795  -4.327 -12.770
  323    H    SER  48           H        SER  48  -1.824   0.262 -14.853
  324    HA   SER  48           HA       SER  48  -4.407  -1.096 -14.584
  325    HB2  SER  48           1HB      SER  48  -5.381   0.863 -15.633
  326    HB3  SER  48           2HB      SER  48  -4.325   1.382 -14.319
  327    HG   SER  48           HG       SER  48  -3.884   2.643 -16.104
  328    H    GLY  49           H        GLY  49  -2.437  -2.514 -15.950
  329    HA2  GLY  49           1HA      GLY  49  -3.055  -3.893 -17.886
  330    HA3  GLY  49           2HA      GLY  49  -3.481  -2.402 -18.712
  331    HA   PRO  50           HA       PRO  50   1.173  -3.650 -19.085
  332    HB2  PRO  50           1HB      PRO  50   1.125  -5.455 -21.113
  333    HB3  PRO  50           2HB      PRO  50   1.051  -5.922 -19.409
  334    HG2  PRO  50           1HG      PRO  50  -1.171  -5.651 -21.397
  335    HG3  PRO  50           2HG      PRO  50  -0.900  -6.920 -20.187
  336    HD2  PRO  50           1HD      PRO  50  -2.663  -4.900 -19.809
  337    HD3  PRO  50           2HD      PRO  50  -1.763  -5.644 -18.472
  338    H    SER  51           H        SER  51   2.067  -2.033 -20.187
  339    HA   SER  51           HA       SER  51   2.296  -0.334 -21.713
  340    HB2  SER  51           1HB      SER  51   2.855  -1.120 -23.915
  341    HB3  SER  51           2HB      SER  51   3.393  -2.344 -22.765
  342    HG   SER  51           HG       SER  51   2.235  -3.657 -23.916
  343    H    SER  52           H        SER  52  -0.307  -0.396 -20.801
  344    HA   SER  52           HA       SER  52  -1.714   0.653 -23.130
  345    HB2  SER  52           1HB      SER  52  -2.721  -1.595 -21.394
  346    HB3  SER  52           2HB      SER  52  -3.827  -0.551 -22.287
  347    HG   SER  52           HG       SER  52  -2.220  -2.569 -23.185
  348    H    GLY  53           H        GLY  53  -3.197   2.265 -22.658
  349    HA2  GLY  53           1HA      GLY  53  -2.822   3.552 -20.102
  350    HA3  GLY  53           2HA      GLY  53  -3.761   4.167 -21.454
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -4.454 -22.753  -0.831
    2    HA2  GLY   1           1HA      GLY   1  -5.612 -20.795  -0.321
    3    HA3  GLY   1           2HA      GLY   1  -5.871 -21.401   1.308
    4    H    SER   2           H        SER   2  -3.483 -21.773   2.369
    5    HA   SER   2           HA       SER   2  -2.514 -19.102   2.734
    6    HB2  SER   2           1HB      SER   2  -1.231 -19.966   4.518
    7    HB3  SER   2           2HB      SER   2  -2.692 -20.954   4.510
    8    HG   SER   2           HG       SER   2  -1.135 -22.233   2.938
    9    H    SER   3           H        SER   3  -0.435 -18.309   2.318
   10    HA   SER   3           HA       SER   3   1.400 -17.932   1.025
   11    HB2  SER   3           1HB      SER   3   1.532 -20.847   1.633
   12    HB3  SER   3           2HB      SER   3   2.632 -20.214   0.408
   13    HG   SER   3           HG       SER   3   2.518 -19.693   3.149
   14    H    GLY   4           H        GLY   4  -1.013 -17.959  -0.356
   15    HA2  GLY   4           1HA      GLY   4  -0.061 -18.444  -3.030
   16    HA3  GLY   4           2HA      GLY   4  -1.357 -19.531  -2.552
   17    H    SER   5           H        SER   5  -3.380 -18.517  -1.796
   18    HA   SER   5           HA       SER   5  -4.383 -16.709  -3.661
   19    HB2  SER   5           1HB      SER   5  -5.578 -18.323  -1.942
   20    HB3  SER   5           2HB      SER   5  -5.637 -16.867  -0.949
   21    HG   SER   5           HG       SER   5  -6.454 -15.984  -3.169
   22    H    SER   6           H        SER   6  -4.861 -14.523  -3.606
   23    HA   SER   6           HA       SER   6  -3.548 -12.984  -1.463
   24    HB2  SER   6           1HB      SER   6  -3.689 -12.358  -4.420
   25    HB3  SER   6           2HB      SER   6  -3.097 -11.234  -3.196
   26    HG   SER   6           HG       SER   6  -1.380 -12.541  -2.814
   27    H    GLY   7           H        GLY   7  -6.123 -12.967  -3.905
   28    HA2  GLY   7           1HA      GLY   7  -8.291 -12.181  -3.716
   29    HA3  GLY   7           2HA      GLY   7  -7.942 -11.726  -2.055
   30    H    GLU   8           H        GLU   8  -6.008  -9.911  -2.181
   31    HA   GLU   8           HA       GLU   8  -6.557  -7.947  -4.234
   32    HB2  GLU   8           1HB      GLU   8  -7.290  -7.464  -1.344
   33    HB3  GLU   8           2HB      GLU   8  -7.127  -6.183  -2.537
   34    HG2  GLU   8           1HG      GLU   8  -9.410  -6.604  -2.452
   35    HG3  GLU   8           2HG      GLU   8  -8.867  -7.460  -3.894
   36    H    SER   9           H        SER   9  -4.691  -7.032  -4.747
   37    HA   SER   9           HA       SER   9  -2.309  -7.486  -3.323
   38    HB2  SER   9           1HB      SER   9  -2.935  -5.438  -5.463
   39    HB3  SER   9           2HB      SER   9  -1.312  -5.823  -4.889
   40    HG   SER   9           HG       SER   9  -2.876  -7.968  -5.697
   41    H    LEU  10           H        LEU  10  -1.329  -6.421  -1.719
   42    HA   LEU  10           HA       LEU  10  -2.079  -3.664  -1.124
   43    HB2  LEU  10           1HB      LEU  10  -2.165  -5.856   0.943
   44    HB3  LEU  10           2HB      LEU  10  -2.436  -4.140   1.235
   45    HG   LEU  10           HG       LEU  10  -4.205  -5.693  -0.625
   46   HD11  LEU  10          1HD1      LEU  10  -4.848  -5.307   2.275
   47   HD12  LEU  10          2HD1      LEU  10  -3.989  -6.741   1.714
   48   HD13  LEU  10          3HD1      LEU  10  -5.602  -6.384   1.100
   49   HD21  LEU  10          1HD2      LEU  10  -4.474  -3.160   0.979
   50   HD22  LEU  10          2HD2      LEU  10  -5.830  -3.949   0.172
   51   HD23  LEU  10          3HD2      LEU  10  -4.473  -3.338  -0.776
   52    H    CYS  11           H        CYS  11  -0.482  -2.478  -0.126
   53    HA   CYS  11           HA       CYS  11   2.166  -3.191  -0.528
   54    HB2  CYS  11           1HB      CYS  11   1.234  -0.870  -0.123
   55    HB3  CYS  11           2HB      CYS  11   1.232  -1.257   1.595
   56    HA   PRO  12           HA       PRO  12   2.992  -6.032   2.755
   57    HB2  PRO  12           1HB      PRO  12   5.701  -6.004   2.576
   58    HB3  PRO  12           2HB      PRO  12   4.670  -6.844   1.412
   59    HG2  PRO  12           1HG      PRO  12   5.974  -4.158   1.195
   60    HG3  PRO  12           2HG      PRO  12   5.842  -5.439  -0.024
   61    HD2  PRO  12           1HD      PRO  12   4.223  -3.269  -0.010
   62    HD3  PRO  12           2HD      PRO  12   3.682  -4.861  -0.580
   63    H    GLN  13           H        GLN  13   3.585  -2.745   2.809
   64    HA   GLN  13           HA       GLN  13   4.484  -2.886   5.608
   65    HB2  GLN  13           1HB      GLN  13   5.349  -0.933   3.474
   66    HB3  GLN  13           2HB      GLN  13   5.647  -0.688   5.190
   67    HG2  GLN  13           1HG      GLN  13   6.733  -3.063   5.028
   68    HG3  GLN  13           2HG      GLN  13   6.854  -2.658   3.316
   69   HE21  GLN  13          1HE2      GLN  13   9.054  -3.094   4.994
   70   HE22  GLN  13          2HE2      GLN  13   9.935  -1.614   5.131
   71    H    HIS  14           H        HIS  14   2.615  -1.189   3.164
   72    HA   HIS  14           HA       HIS  14   1.312   0.409   5.252
   73    HB2  HIS  14           1HB      HIS  14   1.259   0.668   2.240
   74    HB3  HIS  14           2HB      HIS  14   0.360   1.702   3.346
   75    HD2  HIS  14           2HD      HIS  14   1.968   3.496   4.861
   76    HE1  HIS  14           1HE      HIS  14   5.430   2.919   2.478
   77    HE2  HIS  14           2HE      HIS  14   4.376   4.272   4.322
   78    H    HIS  15           H        HIS  15   0.833  -2.274   3.176
   79    HA   HIS  15           HA       HIS  15  -0.934  -3.650   2.768
   80    HB2  HIS  15           1HB      HIS  15  -2.059  -2.489   5.323
   81    HB3  HIS  15           2HB      HIS  15  -2.470  -4.040   4.597
   82    HD1  HIS  15           1HD      HIS  15  -0.562  -2.749   7.257
   83    HD2  HIS  15           2HD      HIS  15   0.120  -5.676   4.388
   84    HE1  HIS  15           1HE      HIS  15   1.275  -4.190   8.190
   85    H    GLU  16           H        GLU  16  -1.033  -1.231   1.408
   86    HA   GLU  16           HA       GLU  16  -3.919  -0.635   1.395
   87    HB2  GLU  16           1HB      GLU  16  -1.532   1.115   0.915
   88    HB3  GLU  16           2HB      GLU  16  -3.076   1.514   0.176
   89    HG2  GLU  16           1HG      GLU  16  -2.837   1.016   3.119
   90    HG3  GLU  16           2HG      GLU  16  -2.490   2.595   2.416
   91    H    ALA  17           H        ALA  17  -4.985  -0.527  -0.578
   92    HA   ALA  17           HA       ALA  17  -4.509  -2.333  -2.515
   93    HB1  ALA  17           1HB      ALA  17  -5.741   0.396  -2.837
   94    HB2  ALA  17           2HB      ALA  17  -5.801  -0.858  -4.076
   95    HB3  ALA  17           3HB      ALA  17  -6.563  -1.130  -2.509
   96    H    LEU  18           H        LEU  18  -2.911  -2.721  -3.888
   97    HA   LEU  18           HA       LEU  18  -0.942  -0.670  -4.453
   98    HB2  LEU  18           1HB      LEU  18  -1.070  -3.541  -5.364
   99    HB3  LEU  18           2HB      LEU  18   0.310  -2.459  -5.534
  100    HG   LEU  18           HG       LEU  18  -0.818  -3.543  -2.954
  101   HD11  LEU  18          1HD1      LEU  18   1.503  -4.548  -2.842
  102   HD12  LEU  18          2HD1      LEU  18   1.659  -4.136  -4.549
  103   HD13  LEU  18          3HD1      LEU  18   0.400  -5.253  -4.024
  104   HD21  LEU  18          1HD2      LEU  18   0.029  -1.658  -2.084
  105   HD22  LEU  18          2HD2      LEU  18   0.960  -1.286  -3.535
  106   HD23  LEU  18          3HD2      LEU  18   1.591  -2.432  -2.351
  107    H    SER  19           H        SER  19  -1.423   0.750  -5.999
  108    HA   SER  19           HA       SER  19  -2.563  -0.276  -8.516
  109    HB2  SER  19           1HB      SER  19  -2.994   2.445  -7.259
  110    HB3  SER  19           2HB      SER  19  -3.628   1.931  -8.823
  111    HG   SER  19           HG       SER  19  -4.738   1.604  -6.467
  112    H    LEU  20           H        LEU  20   0.260   0.299  -7.461
  113    HA   LEU  20           HA       LEU  20   1.138   1.749  -9.853
  114    HB2  LEU  20           1HB      LEU  20   2.212   2.232  -7.078
  115    HB3  LEU  20           2HB      LEU  20   2.809   2.970  -8.564
  116    HG   LEU  20           HG       LEU  20  -0.015   3.382  -7.627
  117   HD11  LEU  20          1HD1      LEU  20   2.443   4.934  -6.839
  118   HD12  LEU  20          2HD1      LEU  20   1.330   4.078  -5.773
  119   HD13  LEU  20          3HD1      LEU  20   0.790   5.516  -6.639
  120   HD21  LEU  20          1HD2      LEU  20   0.220   4.087  -9.836
  121   HD22  LEU  20          2HD2      LEU  20   1.848   4.711  -9.565
  122   HD23  LEU  20          3HD2      LEU  20   0.453   5.564  -8.900
  123    H    PHE  21           H        PHE  21   3.679   1.584  -9.935
  124    HA   PHE  21           HA       PHE  21   4.922  -0.679  -8.782
  125    HB2  PHE  21           1HB      PHE  21   3.639  -2.096 -10.145
  126    HB3  PHE  21           2HB      PHE  21   3.721  -0.998 -11.519
  127    HD1  PHE  21           2HD      PHE  21   5.751  -0.866 -12.884
  128    HD2  PHE  21           1HD      PHE  21   5.372  -3.676  -9.709
  129    HE1  PHE  21           2HE      PHE  21   7.653  -2.138 -13.787
  130    HE2  PHE  21           1HE      PHE  21   7.275  -4.952 -10.606
  131    HZ   PHE  21           HZ       PHE  21   8.417  -4.184 -12.649
  132    H    CYS  22           H        CYS  22   7.085  -0.512  -8.977
  133    HA   CYS  22           HA       CYS  22   8.122   1.728 -10.502
  134    HB2  CYS  22           1HB      CYS  22   8.767   1.078  -8.081
  135    HB3  CYS  22           2HB      CYS  22   9.779  -0.149  -8.836
  136    H    TYR  23           H        TYR  23   9.443   1.614 -12.248
  137    HA   TYR  23           HA       TYR  23   9.592  -0.945 -13.607
  138    HB2  TYR  23           1HB      TYR  23   9.058   1.454 -14.597
  139    HB3  TYR  23           2HB      TYR  23  10.810   1.535 -14.739
  140    HD1  TYR  23           2HD      TYR  23  12.005   0.051 -16.266
  141    HD2  TYR  23           1HD      TYR  23   7.762  -0.061 -15.969
  142    HE1  TYR  23           2HE      TYR  23  11.897  -1.223 -18.367
  143    HE2  TYR  23           1HE      TYR  23   7.642  -1.336 -18.068
  144    HH   TYR  23           HH       TYR  23   9.431  -1.488 -20.233
  145    H    GLU  24           H        GLU  24  11.943   1.657 -12.933
  146    HA   GLU  24           HA       GLU  24  14.258   0.346 -13.576
  147    HB2  GLU  24           1HB      GLU  24  13.872   2.762 -12.711
  148    HB3  GLU  24           2HB      GLU  24  14.138   2.068 -11.118
  149    HG2  GLU  24           1HG      GLU  24  16.301   1.109 -12.201
  150    HG3  GLU  24           2HG      GLU  24  16.045   2.389 -13.385
  151    H    ASP  25           H        ASP  25  12.688   0.372 -10.380
  152    HA   ASP  25           HA       ASP  25  14.525  -1.509  -9.261
  153    HB2  ASP  25           1HB      ASP  25  11.783  -0.852  -8.188
  154    HB3  ASP  25           2HB      ASP  25  13.194  -1.409  -7.291
  155    H    GLN  26           H        GLN  26  11.442  -1.712 -10.886
  156    HA   GLN  26           HA       GLN  26  10.314  -3.488 -11.762
  157    HB2  GLN  26           1HB      GLN  26  12.798  -4.268 -12.107
  158    HB3  GLN  26           2HB      GLN  26  12.412  -5.403 -10.820
  159    HG2  GLN  26           1HG      GLN  26  12.117  -6.339 -13.082
  160    HG3  GLN  26           2HG      GLN  26  10.644  -6.367 -12.113
  161   HE21  GLN  26          1HE2      GLN  26  11.966  -3.522 -13.662
  162   HE22  GLN  26          2HE2      GLN  26  10.691  -3.317 -14.809
  163    H    GLU  27           H        GLU  27   9.574  -2.625  -9.288
  164    HA   GLU  27           HA       GLU  27   8.644  -5.116  -8.059
  165    HB2  GLU  27           1HB      GLU  27   9.983  -2.828  -6.624
  166    HB3  GLU  27           2HB      GLU  27   8.946  -3.980  -5.794
  167    HG2  GLU  27           1HG      GLU  27  11.227  -4.959  -7.448
  168    HG3  GLU  27           2HG      GLU  27  11.515  -4.330  -5.826
  169    H    ALA  28           H        ALA  28   6.877  -4.597  -6.389
  170    HA   ALA  28           HA       ALA  28   5.070  -2.637  -7.618
  171    HB1  ALA  28           1HB      ALA  28   3.299  -3.898  -6.341
  172    HB2  ALA  28           2HB      ALA  28   4.117  -4.805  -7.613
  173    HB3  ALA  28           3HB      ALA  28   4.550  -5.069  -5.924
  174    H    VAL  29           H        VAL  29   4.201  -0.970  -6.490
  175    HA   VAL  29           HA       VAL  29   4.717  -0.800  -3.607
  176    HB   VAL  29           HB       VAL  29   5.428   1.533  -3.795
  177   HG11  VAL  29          1HG1      VAL  29   7.371   0.407  -3.661
  178   HG12  VAL  29          2HG1      VAL  29   6.934  -0.707  -4.958
  179   HG13  VAL  29          3HG1      VAL  29   7.558   0.897  -5.344
  180   HG21  VAL  29          1HG2      VAL  29   4.813   2.637  -5.635
  181   HG22  VAL  29          2HG2      VAL  29   6.200   1.882  -6.420
  182   HG23  VAL  29          3HG2      VAL  29   4.603   1.148  -6.557
  183    H    CYS  30           H        CYS  30   3.633   1.410  -2.832
  184    HA   CYS  30           HA       CYS  30   0.913   1.414  -3.965
  185    HB2  CYS  30           1HB      CYS  30   0.073   1.943  -1.761
  186    HB3  CYS  30           2HB      CYS  30   1.097   0.515  -1.651
  187    H    LEU  31           H        LEU  31  -0.268   3.546  -3.212
  188    HA   LEU  31           HA       LEU  31   1.033   5.680  -4.560
  189    HB2  LEU  31           1HB      LEU  31  -0.922   6.972  -4.065
  190    HB3  LEU  31           2HB      LEU  31  -1.412   5.343  -4.526
  191    HG   LEU  31           HG       LEU  31  -1.423   5.011  -1.890
  192   HD11  LEU  31          1HD1      LEU  31  -2.114   7.927  -2.198
  193   HD12  LEU  31          2HD1      LEU  31  -0.619   7.321  -1.487
  194   HD13  LEU  31          3HD1      LEU  31  -2.166   6.968  -0.718
  195   HD21  LEU  31          1HD2      LEU  31  -3.708   5.022  -2.033
  196   HD22  LEU  31          2HD2      LEU  31  -3.285   4.969  -3.745
  197   HD23  LEU  31          3HD2      LEU  31  -3.753   6.498  -2.998
  198    H    ILE  32           H        ILE  32   0.899   4.669  -1.264
  199    HA   ILE  32           HA       ILE  32   1.712   7.225  -0.186
  200    HB   ILE  32           HB       ILE  32   1.422   4.498   1.067
  201   HG12  ILE  32          1HG1      ILE  32  -0.173   7.053   1.128
  202   HG13  ILE  32          2HG1      ILE  32  -0.710   5.441   0.669
  203   HG21  ILE  32          1HG2      ILE  32   3.215   5.564   2.229
  204   HG22  ILE  32          2HG2      ILE  32   2.328   7.085   2.313
  205   HG23  ILE  32          3HG2      ILE  32   1.772   5.689   3.236
  206   HD11  ILE  32          1HD1      ILE  32  -0.072   4.918   3.181
  207   HD12  ILE  32          2HD1      ILE  32  -0.389   6.645   3.353
  208   HD13  ILE  32          3HD1      ILE  32  -1.644   5.576   2.728
  209    H    CYS  33           H        CYS  33   3.225   4.403  -1.446
  210    HA   CYS  33           HA       CYS  33   5.751   4.803  -0.124
  211    HB2  CYS  33           1HB      CYS  33   4.668   2.913  -2.157
  212    HB3  CYS  33           2HB      CYS  33   6.414   3.136  -2.096
  213    H    ALA  34           H        ALA  34   4.377   5.484  -3.305
  214    HA   ALA  34           HA       ALA  34   6.773   6.422  -4.491
  215    HB1  ALA  34           1HB      ALA  34   5.392   6.112  -6.217
  216    HB2  ALA  34           2HB      ALA  34   3.955   6.271  -5.206
  217    HB3  ALA  34           3HB      ALA  34   4.752   7.712  -5.838
  218    H    ILE  35           H        ILE  35   3.978   8.170  -3.131
  219    HA   ILE  35           HA       ILE  35   4.994  10.752  -3.461
  220    HB   ILE  35           HB       ILE  35   3.386  11.468  -1.779
  221   HG12  ILE  35          1HG1      ILE  35   2.924   8.522  -1.261
  222   HG13  ILE  35          2HG1      ILE  35   3.788   9.609  -0.180
  223   HG21  ILE  35          1HG2      ILE  35   2.650   9.595  -3.938
  224   HG22  ILE  35          2HG2      ILE  35   1.383   9.991  -2.778
  225   HG23  ILE  35          3HG2      ILE  35   2.183  11.276  -3.683
  226   HD11  ILE  35          1HD1      ILE  35   1.282  10.784  -0.741
  227   HD12  ILE  35          2HD1      ILE  35   1.007   9.090  -0.332
  228   HD13  ILE  35          3HD1      ILE  35   1.878  10.138   0.788
  229    H    SER  36           H        SER  36   5.930   8.282  -1.304
  230    HA   SER  36           HA       SER  36   7.000  10.019   0.732
  231    HB2  SER  36           1HB      SER  36   7.497   8.098   1.918
  232    HB3  SER  36           2HB      SER  36   6.184   7.509   0.899
  233    HG   SER  36           HG       SER  36   8.952   7.061   0.672
  234    H    HIS  37           H        HIS  37   7.961  10.753  -1.769
  235    HA   HIS  37           HA       HIS  37   9.860  10.917  -3.083
  236    HB2  HIS  37           1HB      HIS  37  11.702  11.906  -1.806
  237    HB3  HIS  37           2HB      HIS  37  10.154  12.558  -1.279
  238    HD1  HIS  37           1HD      HIS  37   9.350  11.928   1.101
  239    HD2  HIS  37           2HD      HIS  37  13.083  10.403   0.101
  240    HE1  HIS  37           1HE      HIS  37  10.349  11.126   3.264
  241    H    THR  38           H        THR  38   9.356   8.233  -2.752
  242    HA   THR  38           HA       THR  38  12.038   7.101  -2.285
  243    HB   THR  38           HB       THR  38   9.362   5.707  -2.071
  244    HG1  THR  38           1HG      THR  38  11.175   5.966   0.057
  245   HG21  THR  38          1HG2      THR  38  12.034   4.690  -2.443
  246   HG22  THR  38          2HG2      THR  38  10.504   3.815  -2.373
  247   HG23  THR  38          3HG2      THR  38  11.384   4.173  -0.887
  248    H    HIS  39           H        HIS  39   9.110   6.788  -4.278
  249    HA   HIS  39           HA       HIS  39  10.807   5.715  -6.436
  250    HB2  HIS  39           1HB      HIS  39   7.908   5.101  -5.831
  251    HB3  HIS  39           2HB      HIS  39   8.766   4.552  -7.268
  252    HD2  HIS  39           2HD      HIS  39   8.168   3.479  -3.656
  253    HE1  HIS  39           1HE      HIS  39  11.273   1.018  -5.174
  254    HE2  HIS  39           2HE      HIS  39   9.583   1.337  -3.334
  255    H    ARG  40           H        ARG  40  10.110   8.513  -5.777
  256    HA   ARG  40           HA       ARG  40   8.232   9.357  -7.794
  257    HB2  ARG  40           1HB      ARG  40   9.861  10.677  -5.687
  258    HB3  ARG  40           2HB      ARG  40   9.394  11.658  -7.070
  259    HG2  ARG  40           1HG      ARG  40   7.138  11.507  -6.583
  260    HG3  ARG  40           2HG      ARG  40   7.344  10.050  -5.609
  261    HD2  ARG  40           1HD      ARG  40   7.999  11.214  -3.758
  262    HD3  ARG  40           2HD      ARG  40   8.710  12.524  -4.701
  263    HE   ARG  40           HE       ARG  40   6.020  12.359  -3.726
  264   HH11  ARG  40          2HH1      ARG  40   8.067  13.697  -6.204
  265   HH12  ARG  40          1HH1      ARG  40   7.017  15.035  -6.532
  266   HH21  ARG  40          2HH2      ARG  40   4.628  14.117  -4.149
  267   HH22  ARG  40          1HH2      ARG  40   5.062  15.273  -5.362
  268    H    ALA  41           H        ALA  41  11.717   9.169  -7.429
  269    HA   ALA  41           HA       ALA  41  12.280  10.652  -9.827
  270    HB1  ALA  41           1HB      ALA  41  14.175   8.837  -8.354
  271    HB2  ALA  41           2HB      ALA  41  14.564  10.208  -9.394
  272    HB3  ALA  41           3HB      ALA  41  13.805  10.479  -7.825
  273    H    HIS  42           H        HIS  42  11.870   7.288  -8.952
  274    HA   HIS  42           HA       HIS  42  12.928   6.229 -11.389
  275    HB2  HIS  42           1HB      HIS  42  11.107   4.938  -9.347
  276    HB3  HIS  42           2HB      HIS  42  11.978   4.095 -10.624
  277    HD2  HIS  42           2HD      HIS  42  14.904   5.633 -10.056
  278    HE1  HIS  42           1HE      HIS  42  14.519   3.780  -6.259
  279    HE2  HIS  42           2HE      HIS  42  16.074   4.962  -7.848
  280    H    THR  43           H        THR  43  11.345   4.594 -12.582
  281    HA   THR  43           HA       THR  43   9.219   6.275 -13.662
  282    HB   THR  43           HB       THR  43  10.248   3.621 -14.685
  283    HG1  THR  43           1HG      THR  43  11.589   5.761 -14.658
  284   HG21  THR  43          1HG2      THR  43   9.034   4.055 -16.672
  285   HG22  THR  43          2HG2      THR  43   8.680   5.711 -16.182
  286   HG23  THR  43          3HG2      THR  43   7.911   4.361 -15.348
  287    H    VAL  44           H        VAL  44   7.792   6.023 -11.837
  288    HA   VAL  44           HA       VAL  44   6.733   3.393 -11.256
  289    HB   VAL  44           HB       VAL  44   5.921   6.123 -10.251
  290   HG11  VAL  44          1HG1      VAL  44   4.874   3.379  -9.647
  291   HG12  VAL  44          2HG1      VAL  44   4.768   4.683  -8.462
  292   HG13  VAL  44          3HG1      VAL  44   3.979   4.849 -10.031
  293   HG21  VAL  44          1HG2      VAL  44   8.163   5.327  -9.560
  294   HG22  VAL  44          2HG2      VAL  44   7.042   5.499  -8.209
  295   HG23  VAL  44          3HG2      VAL  44   7.405   3.899  -8.856
  296    H    VAL  45           H        VAL  45   5.131   2.468 -12.336
  297    HA   VAL  45           HA       VAL  45   3.291   4.186 -13.872
  298    HB   VAL  45           HB       VAL  45   2.970   2.345 -15.425
  299   HG11  VAL  45          1HG1      VAL  45   5.854   2.238 -15.512
  300   HG12  VAL  45          2HG1      VAL  45   4.724   3.036 -16.608
  301   HG13  VAL  45          3HG1      VAL  45   5.285   3.868 -15.157
  302   HG21  VAL  45          1HG2      VAL  45   4.112   0.265 -15.270
  303   HG22  VAL  45          2HG2      VAL  45   5.089   0.828 -13.915
  304   HG23  VAL  45          3HG2      VAL  45   3.360   0.554 -13.701
  305    HA   PRO  46           HA       PRO  46  -0.023   2.661 -11.410
  306    HB2  PRO  46           1HB      PRO  46  -2.075   3.076 -13.138
  307    HB3  PRO  46           2HB      PRO  46  -1.264   4.389 -12.277
  308    HG2  PRO  46           1HG      PRO  46  -0.866   3.439 -15.087
  309    HG3  PRO  46           2HG      PRO  46  -0.964   5.098 -14.471
  310    HD2  PRO  46           1HD      PRO  46   1.392   3.896 -15.052
  311    HD3  PRO  46           2HD      PRO  46   1.226   5.094 -13.752
  312    H    LEU  47           H        LEU  47  -0.545   0.615 -10.991
  313    HA   LEU  47           HA       LEU  47  -0.418  -1.399 -13.048
  314    HB2  LEU  47           1HB      LEU  47  -0.699  -1.355 -10.097
  315    HB3  LEU  47           2HB      LEU  47  -1.307  -2.774 -10.947
  316    HG   LEU  47           HG       LEU  47   1.528  -1.740 -10.972
  317   HD11  LEU  47          1HD1      LEU  47   0.355  -4.271  -9.829
  318   HD12  LEU  47          2HD1      LEU  47   0.846  -2.859  -8.893
  319   HD13  LEU  47          3HD1      LEU  47   2.050  -3.785  -9.788
  320   HD21  LEU  47          1HD2      LEU  47   0.095  -3.705 -12.658
  321   HD22  LEU  47          2HD2      LEU  47   1.702  -4.159 -12.090
  322   HD23  LEU  47          3HD2      LEU  47   1.483  -2.684 -13.033
  323    H    SER  48           H        SER  48  -2.111  -1.116 -14.450
  324    HA   SER  48           HA       SER  48  -4.814  -1.382 -13.304
  325    HB2  SER  48           1HB      SER  48  -5.659  -0.213 -15.291
  326    HB3  SER  48           2HB      SER  48  -4.467   0.774 -14.446
  327    HG   SER  48           HG       SER  48  -3.268   0.727 -16.162
  328    H    GLY  49           H        GLY  49  -5.320  -3.486 -13.439
  329    HA2  GLY  49           1HA      GLY  49  -4.379  -5.185 -15.543
  330    HA3  GLY  49           2HA      GLY  49  -5.542  -5.616 -14.298
  331    HA   PRO  50           HA       PRO  50  -7.501  -4.681 -18.584
  332    HB2  PRO  50           1HB      PRO  50  -7.546  -7.173 -19.658
  333    HB3  PRO  50           2HB      PRO  50  -6.222  -6.033 -19.931
  334    HG2  PRO  50           1HG      PRO  50  -6.385  -8.323 -18.009
  335    HG3  PRO  50           2HG      PRO  50  -5.036  -7.828 -19.049
  336    HD2  PRO  50           1HD      PRO  50  -5.138  -7.228 -16.410
  337    HD3  PRO  50           2HD      PRO  50  -4.368  -6.162 -17.603
  338    H    SER  51           H        SER  51  -7.921  -6.575 -15.852
  339    HA   SER  51           HA       SER  51 -10.590  -7.501 -16.608
  340    HB2  SER  51           1HB      SER  51  -8.831  -8.915 -15.322
  341    HB3  SER  51           2HB      SER  51  -9.317  -7.959 -13.922
  342    HG   SER  51           HG       SER  51 -11.347  -9.080 -15.460
  343    H    SER  52           H        SER  52 -11.973  -5.813 -16.542
  344    HA   SER  52           HA       SER  52 -11.863  -3.864 -14.409
  345    HB2  SER  52           1HB      SER  52 -12.542  -3.501 -16.913
  346    HB3  SER  52           2HB      SER  52 -14.128  -4.048 -16.368
  347    HG   SER  52           HG       SER  52 -14.224  -1.925 -16.012
  348    H    GLY  53           H        GLY  53 -13.004  -3.896 -12.577
  349    HA2  GLY  53           1HA      GLY  53 -14.576  -6.180 -11.900
  350    HA3  GLY  53           2HA      GLY  53 -14.333  -4.753 -10.903
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -10.188 -27.505   6.069
    2    HA2  GLY   1           1HA      GLY   1 -11.075 -26.171   4.402
    3    HA3  GLY   1           2HA      GLY   1 -11.094 -24.981   5.695
    4    H    SER   2           H        SER   2  -9.652 -25.952   2.736
    5    HA   SER   2           HA       SER   2  -7.330 -24.316   2.853
    6    HB2  SER   2           1HB      SER   2  -7.008 -24.866   0.569
    7    HB3  SER   2           2HB      SER   2  -7.765 -26.290   1.283
    8    HG   SER   2           HG       SER   2  -8.609 -25.281  -0.813
    9    H    SER   3           H        SER   3  -6.923 -22.330   1.828
   10    HA   SER   3           HA       SER   3  -8.940 -20.824   0.507
   11    HB2  SER   3           1HB      SER   3  -9.270 -19.083   2.218
   12    HB3  SER   3           2HB      SER   3  -9.845 -20.650   2.784
   13    HG   SER   3           HG       SER   3  -8.221 -20.764   4.187
   14    H    GLY   4           H        GLY   4  -8.220 -18.536   0.126
   15    HA2  GLY   4           1HA      GLY   4  -5.816 -17.407   0.704
   16    HA3  GLY   4           2HA      GLY   4  -5.422 -18.560  -0.563
   17    H    SER   5           H        SER   5  -8.218 -16.411  -0.081
   18    HA   SER   5           HA       SER   5  -7.634 -15.243  -2.724
   19    HB2  SER   5           1HB      SER   5 -10.046 -14.944  -3.033
   20    HB3  SER   5           2HB      SER   5  -9.668 -16.641  -2.739
   21    HG   SER   5           HG       SER   5 -10.318 -14.997  -0.565
   22    H    SER   6           H        SER   6  -6.390 -13.583  -1.743
   23    HA   SER   6           HA       SER   6  -7.240 -11.918   0.330
   24    HB2  SER   6           1HB      SER   6  -4.924 -12.095  -0.835
   25    HB3  SER   6           2HB      SER   6  -5.567 -10.885  -1.945
   26    HG   SER   6           HG       SER   6  -4.420 -10.349   0.258
   27    H    GLY   7           H        GLY   7  -7.544 -11.477  -3.190
   28    HA2  GLY   7           1HA      GLY   7  -9.357 -10.498  -4.305
   29    HA3  GLY   7           2HA      GLY   7  -9.967  -9.922  -2.761
   30    H    GLU   8           H        GLU   8  -7.727  -8.564  -1.817
   31    HA   GLU   8           HA       GLU   8  -7.125  -6.567  -3.872
   32    HB2  GLU   8           1HB      GLU   8  -8.266  -5.912  -1.149
   33    HB3  GLU   8           2HB      GLU   8  -7.665  -4.734  -2.307
   34    HG2  GLU   8           1HG      GLU   8  -9.927  -4.642  -2.670
   35    HG3  GLU   8           2HG      GLU   8  -9.413  -5.790  -3.904
   36    H    SER   9           H        SER   9  -4.975  -6.653  -3.959
   37    HA   SER   9           HA       SER   9  -3.302  -7.449  -1.834
   38    HB2  SER   9           1HB      SER   9  -2.758  -6.049  -4.450
   39    HB3  SER   9           2HB      SER   9  -1.468  -6.449  -3.316
   40    HG   SER   9           HG       SER   9  -3.210  -8.209  -4.685
   41    H    LEU  10           H        LEU  10  -1.797  -6.227  -0.613
   42    HA   LEU  10           HA       LEU  10  -2.100  -3.335  -0.552
   43    HB2  LEU  10           1HB      LEU  10  -2.550  -4.988   1.926
   44    HB3  LEU  10           2HB      LEU  10  -2.626  -3.232   1.793
   45    HG   LEU  10           HG       LEU  10  -4.521  -5.019   0.294
   46   HD11  LEU  10          1HD1      LEU  10  -4.483  -4.324   3.161
   47   HD12  LEU  10          2HD1      LEU  10  -5.214  -5.698   2.332
   48   HD13  LEU  10          3HD1      LEU  10  -6.025  -4.132   2.327
   49   HD21  LEU  10          1HD2      LEU  10  -4.230  -2.611  -0.342
   50   HD22  LEU  10          2HD2      LEU  10  -4.833  -2.183   1.260
   51   HD23  LEU  10          3HD2      LEU  10  -5.867  -3.063   0.133
   52    H    CYS  11           H        CYS  11  -0.308  -2.279   0.193
   53    HA   CYS  11           HA       CYS  11   2.165  -3.506   0.097
   54    HB2  CYS  11           1HB      CYS  11   1.452  -0.967   0.136
   55    HB3  CYS  11           2HB      CYS  11   1.800  -1.114   1.856
   56    HA   PRO  12           HA       PRO  12   2.431  -5.708   3.919
   57    HB2  PRO  12           1HB      PRO  12   5.103  -6.188   3.867
   58    HB3  PRO  12           2HB      PRO  12   3.951  -7.058   2.847
   59    HG2  PRO  12           1HG      PRO  12   5.719  -4.742   2.158
   60    HG3  PRO  12           2HG      PRO  12   5.372  -6.204   1.216
   61    HD2  PRO  12           1HD      PRO  12   4.169  -3.830   0.717
   62    HD3  PRO  12           2HD      PRO  12   3.357  -5.387   0.453
   63    H    GLN  13           H        GLN  13   3.570  -2.630   3.351
   64    HA   GLN  13           HA       GLN  13   4.444  -2.355   6.149
   65    HB2  GLN  13           1HB      GLN  13   6.387  -2.136   4.702
   66    HB3  GLN  13           2HB      GLN  13   5.557  -0.929   3.728
   67    HG2  GLN  13           1HG      GLN  13   6.915   0.363   5.057
   68    HG3  GLN  13           2HG      GLN  13   5.391   0.394   5.942
   69   HE21  GLN  13          1HE2      GLN  13   6.875   1.023   7.699
   70   HE22  GLN  13          2HE2      GLN  13   7.612  -0.231   8.631
   71    H    HIS  14           H        HIS  14   2.906  -0.839   3.363
   72    HA   HIS  14           HA       HIS  14   1.847   1.282   5.086
   73    HB2  HIS  14           1HB      HIS  14   1.713   1.003   2.076
   74    HB3  HIS  14           2HB      HIS  14   1.189   2.401   3.011
   75    HD2  HIS  14           2HD      HIS  14   3.819   2.891   4.841
   76    HE1  HIS  14           1HE      HIS  14   5.928   2.932   1.161
   77    HE2  HIS  14           2HE      HIS  14   6.022   3.474   3.618
   78    H    HIS  15           H        HIS  15   0.960  -1.654   3.588
   79    HA   HIS  15           HA       HIS  15  -1.006  -2.784   3.364
   80    HB2  HIS  15           1HB      HIS  15  -1.479  -1.089   5.798
   81    HB3  HIS  15           2HB      HIS  15  -2.748  -2.145   5.185
   82    HD1  HIS  15           1HD      HIS  15  -2.766  -3.926   6.943
   83    HD2  HIS  15           2HD      HIS  15   1.052  -3.159   5.495
   84    HE1  HIS  15           1HE      HIS  15  -1.296  -5.701   7.950
   85    H    GLU  16           H        GLU  16  -0.739  -0.690   1.573
   86    HA   GLU  16           HA       GLU  16  -3.496   0.335   1.385
   87    HB2  GLU  16           1HB      GLU  16  -0.902   1.570   0.464
   88    HB3  GLU  16           2HB      GLU  16  -2.476   2.143  -0.070
   89    HG2  GLU  16           1HG      GLU  16  -1.692   1.973   2.824
   90    HG3  GLU  16           2HG      GLU  16  -1.423   3.405   1.831
   91    H    ALA  17           H        ALA  17  -4.461   0.403  -0.693
   92    HA   ALA  17           HA       ALA  17  -4.281  -1.840  -2.237
   93    HB1  ALA  17           1HB      ALA  17  -5.999  -0.896  -3.279
   94    HB2  ALA  17           2HB      ALA  17  -5.699   0.574  -2.352
   95    HB3  ALA  17           3HB      ALA  17  -4.962   0.368  -3.940
   96    H    LEU  18           H        LEU  18  -2.726  -2.670  -3.454
   97    HA   LEU  18           HA       LEU  18  -0.495  -1.049  -4.313
   98    HB2  LEU  18           1HB      LEU  18  -1.121  -3.976  -4.657
   99    HB3  LEU  18           2HB      LEU  18   0.366  -3.210  -5.214
  100    HG   LEU  18           HG       LEU  18  -0.501  -3.279  -2.328
  101   HD11  LEU  18          1HD1      LEU  18   1.714  -4.922  -2.657
  102   HD12  LEU  18          2HD1      LEU  18   0.632  -5.359  -3.980
  103   HD13  LEU  18          3HD1      LEU  18   0.059  -5.428  -2.313
  104   HD21  LEU  18          1HD2      LEU  18   2.316  -2.975  -3.174
  105   HD22  LEU  18          2HD2      LEU  18   1.449  -2.243  -1.824
  106   HD23  LEU  18          3HD2      LEU  18   1.249  -1.599  -3.454
  107    H    SER  19           H        SER  19  -1.603   0.342  -5.794
  108    HA   SER  19           HA       SER  19  -2.334  -0.960  -8.334
  109    HB2  SER  19           1HB      SER  19  -3.349   1.519  -6.979
  110    HB3  SER  19           2HB      SER  19  -3.469   1.360  -8.731
  111    HG   SER  19           HG       SER  19  -5.100   0.086  -8.434
  112    H    LEU  20           H        LEU  20   0.366  -0.384  -7.563
  113    HA   LEU  20           HA       LEU  20   1.099   1.310  -9.816
  114    HB2  LEU  20           1HB      LEU  20   2.063   1.785  -7.000
  115    HB3  LEU  20           2HB      LEU  20   2.779   2.517  -8.435
  116    HG   LEU  20           HG       LEU  20  -0.102   2.933  -7.670
  117   HD11  LEU  20          1HD1      LEU  20   1.151   3.734  -5.807
  118   HD12  LEU  20          2HD1      LEU  20   0.676   5.130  -6.774
  119   HD13  LEU  20          3HD1      LEU  20   2.328   4.518  -6.861
  120   HD21  LEU  20          1HD2      LEU  20   1.248   5.063  -9.067
  121   HD22  LEU  20          2HD2      LEU  20  -0.213   4.178  -9.508
  122   HD23  LEU  20          3HD2      LEU  20   1.372   3.545  -9.958
  123    H    PHE  21           H        PHE  21   3.463   1.173 -10.283
  124    HA   PHE  21           HA       PHE  21   4.874  -1.087  -9.151
  125    HB2  PHE  21           1HB      PHE  21   3.720  -2.368 -10.738
  126    HB3  PHE  21           2HB      PHE  21   3.779  -1.091 -11.949
  127    HD1  PHE  21           2HD      PHE  21   5.800  -0.706 -13.253
  128    HD2  PHE  21           1HD      PHE  21   5.558  -3.875 -10.422
  129    HE1  PHE  21           2HE      PHE  21   7.791  -1.747 -14.254
  130    HE2  PHE  21           1HE      PHE  21   7.549  -4.921 -11.418
  131    HZ   PHE  21           HZ       PHE  21   8.668  -3.858 -13.338
  132    H    CYS  22           H        CYS  22   6.922  -0.502  -8.938
  133    HA   CYS  22           HA       CYS  22   7.958   1.880 -10.050
  134    HB2  CYS  22           1HB      CYS  22   8.666   0.634  -7.900
  135    HB3  CYS  22           2HB      CYS  22   9.676  -0.338  -8.964
  136    H    TYR  23           H        TYR  23   9.546   2.206 -11.622
  137    HA   TYR  23           HA       TYR  23   9.626   0.119 -13.672
  138    HB2  TYR  23           1HB      TYR  23   8.977   2.627 -14.055
  139    HB3  TYR  23           2HB      TYR  23  10.718   2.883 -14.066
  140    HD1  TYR  23           1HD      TYR  23   8.046   0.851 -15.681
  141    HD2  TYR  23           2HD      TYR  23  11.930   2.554 -16.030
  142    HE1  TYR  23           1HE      TYR  23   8.121   0.181 -18.047
  143    HE2  TYR  23           2HE      TYR  23  12.015   1.889 -18.397
  144    HH   TYR  23           HH       TYR  23  10.479   1.341 -20.212
  145    H    GLU  24           H        GLU  24  11.744   2.134 -11.700
  146    HA   GLU  24           HA       GLU  24  14.157   1.095 -12.859
  147    HB2  GLU  24           1HB      GLU  24  13.744   3.375 -11.648
  148    HB3  GLU  24           2HB      GLU  24  14.054   2.449 -10.187
  149    HG2  GLU  24           1HG      GLU  24  16.234   1.768 -11.127
  150    HG3  GLU  24           2HG      GLU  24  15.923   2.806 -12.517
  151    H    ASP  25           H        ASP  25  12.163   0.373 -10.072
  152    HA   ASP  25           HA       ASP  25  14.088  -1.574  -9.071
  153    HB2  ASP  25           1HB      ASP  25  11.343  -1.020  -7.951
  154    HB3  ASP  25           2HB      ASP  25  12.729  -1.734  -7.130
  155    H    GLN  26           H        GLN  26  11.213  -1.424 -10.965
  156    HA   GLN  26           HA       GLN  26  10.008  -3.005 -12.070
  157    HB2  GLN  26           1HB      GLN  26  12.400  -4.713 -11.374
  158    HB3  GLN  26           2HB      GLN  26  11.099  -5.229 -12.440
  159    HG2  GLN  26           1HG      GLN  26  12.758  -2.774 -12.937
  160    HG3  GLN  26           2HG      GLN  26  13.168  -4.368 -13.567
  161   HE21  GLN  26          1HE2      GLN  26  10.633  -1.918 -13.528
  162   HE22  GLN  26          2HE2      GLN  26   9.996  -2.292 -15.089
  163    H    GLU  27           H        GLU  27   9.500  -2.545  -9.295
  164    HA   GLU  27           HA       GLU  27   8.350  -5.159  -8.583
  165    HB2  GLU  27           1HB      GLU  27   9.425  -3.149  -6.599
  166    HB3  GLU  27           2HB      GLU  27   8.769  -4.740  -6.238
  167    HG2  GLU  27           1HG      GLU  27  10.637  -5.839  -7.022
  168    HG3  GLU  27           2HG      GLU  27  11.134  -4.486  -8.038
  169    H    ALA  28           H        ALA  28   6.356  -5.096  -7.452
  170    HA   ALA  28           HA       ALA  28   4.681  -2.891  -8.231
  171    HB1  ALA  28           1HB      ALA  28   4.289  -5.606  -7.174
  172    HB2  ALA  28           2HB      ALA  28   3.071  -4.425  -6.691
  173    HB3  ALA  28           3HB      ALA  28   3.384  -4.720  -8.402
  174    H    VAL  29           H        VAL  29   4.290  -1.132  -7.070
  175    HA   VAL  29           HA       VAL  29   4.663  -1.261  -4.147
  176    HB   VAL  29           HB       VAL  29   5.304   1.117  -4.208
  177   HG11  VAL  29          1HG1      VAL  29   7.523   0.741  -4.747
  178   HG12  VAL  29          2HG1      VAL  29   6.922  -0.896  -4.478
  179   HG13  VAL  29          3HG1      VAL  29   7.122  -0.288  -6.122
  180   HG21  VAL  29          1HG2      VAL  29   5.392   2.394  -6.090
  181   HG22  VAL  29          2HG2      VAL  29   5.752   1.023  -7.139
  182   HG23  VAL  29          3HG2      VAL  29   4.103   1.292  -6.576
  183    H    CYS  30           H        CYS  30   3.520   0.696  -3.070
  184    HA   CYS  30           HA       CYS  30   0.784   0.795  -4.146
  185    HB2  CYS  30           1HB      CYS  30  -0.042   0.863  -1.971
  186    HB3  CYS  30           2HB      CYS  30   1.344  -0.210  -1.811
  187    H    LEU  31           H        LEU  31  -0.387   2.845  -3.078
  188    HA   LEU  31           HA       LEU  31   0.561   5.085  -4.438
  189    HB2  LEU  31           1HB      LEU  31  -1.757   4.861  -3.815
  190    HB3  LEU  31           2HB      LEU  31  -1.336   4.894  -2.104
  191    HG   LEU  31           HG       LEU  31  -0.637   7.254  -3.781
  192   HD11  LEU  31          1HD1      LEU  31  -2.764   7.389  -4.500
  193   HD12  LEU  31          2HD1      LEU  31  -3.069   7.977  -2.866
  194   HD13  LEU  31          3HD1      LEU  31  -3.366   6.284  -3.264
  195   HD21  LEU  31          1HD2      LEU  31  -1.856   7.347  -1.071
  196   HD22  LEU  31          2HD2      LEU  31  -0.617   8.375  -1.791
  197   HD23  LEU  31          3HD2      LEU  31  -0.201   6.757  -1.225
  198    H    ILE  32           H        ILE  32   0.651   4.410  -0.940
  199    HA   ILE  32           HA       ILE  32   1.958   6.681  -0.082
  200    HB   ILE  32           HB       ILE  32   2.316   3.874   0.972
  201   HG12  ILE  32          1HG1      ILE  32  -0.016   4.549   0.991
  202   HG13  ILE  32          2HG1      ILE  32   0.610   4.574   2.636
  203   HG21  ILE  32          1HG2      ILE  32   3.985   4.871   2.116
  204   HG22  ILE  32          2HG2      ILE  32   3.344   6.491   1.850
  205   HG23  ILE  32          3HG2      ILE  32   2.659   5.469   3.113
  206   HD11  ILE  32          1HD1      ILE  32  -0.346   6.776   0.936
  207   HD12  ILE  32          2HD1      ILE  32  -0.436   6.561   2.685
  208   HD13  ILE  32          3HD1      ILE  32   1.061   7.122   1.941
  209    H    CYS  33           H        CYS  33   3.410   3.642  -1.222
  210    HA   CYS  33           HA       CYS  33   6.077   4.213  -0.833
  211    HB2  CYS  33           1HB      CYS  33   4.662   2.628  -2.966
  212    HB3  CYS  33           2HB      CYS  33   6.418   2.765  -2.943
  213    H    ALA  34           H        ALA  34   4.106   4.983  -3.693
  214    HA   ALA  34           HA       ALA  34   5.880   6.092  -5.393
  215    HB1  ALA  34           1HB      ALA  34   3.974   6.562  -6.424
  216    HB2  ALA  34           2HB      ALA  34   3.076   6.376  -4.917
  217    HB3  ALA  34           3HB      ALA  34   3.760   7.943  -5.348
  218    H    ILE  35           H        ILE  35   4.216   8.050  -2.912
  219    HA   ILE  35           HA       ILE  35   6.293  10.082  -3.149
  220    HB   ILE  35           HB       ILE  35   4.882  11.499  -1.812
  221   HG12  ILE  35          1HG1      ILE  35   4.117   9.551  -0.330
  222   HG13  ILE  35          2HG1      ILE  35   2.930  10.801  -0.686
  223   HG21  ILE  35          1HG2      ILE  35   3.619  10.012  -4.066
  224   HG22  ILE  35          2HG2      ILE  35   2.673  11.212  -3.187
  225   HG23  ILE  35          3HG2      ILE  35   4.170  11.685  -3.988
  226   HD11  ILE  35          1HD1      ILE  35   2.892   7.974  -1.297
  227   HD12  ILE  35          2HD1      ILE  35   1.576   9.148  -1.274
  228   HD13  ILE  35          3HD1      ILE  35   2.575   8.971  -2.716
  229    H    SER  36           H        SER  36   7.005   7.554  -1.979
  230    HA   SER  36           HA       SER  36   7.373   8.243   0.852
  231    HB2  SER  36           1HB      SER  36   6.412   5.971   0.081
  232    HB3  SER  36           2HB      SER  36   8.070   5.586  -0.381
  233    HG   SER  36           HG       SER  36   8.014   4.922   1.663
  234    H    HIS  37           H        HIS  37   9.429   8.161   1.814
  235    HA   HIS  37           HA       HIS  37  11.514   9.341   0.472
  236    HB2  HIS  37           1HB      HIS  37  12.760   9.061   2.390
  237    HB3  HIS  37           2HB      HIS  37  11.139   8.798   3.027
  238    HD1  HIS  37           1HD      HIS  37  10.541   6.421   3.800
  239    HD2  HIS  37           2HD      HIS  37  14.395   6.776   2.289
  240    HE1  HIS  37           1HE      HIS  37  11.711   4.286   4.432
  241    H    THR  38           H        THR  38  10.914   5.885   0.931
  242    HA   THR  38           HA       THR  38  13.285   4.879  -0.122
  243    HB   THR  38           HB       THR  38  10.556   3.621  -0.450
  244    HG1  THR  38           1HG      THR  38  12.386   3.560   1.735
  245   HG21  THR  38          1HG2      THR  38  11.995   1.519  -0.191
  246   HG22  THR  38          2HG2      THR  38  13.371   2.569  -0.526
  247   HG23  THR  38          3HG2      THR  38  12.093   2.382  -1.725
  248    H    HIS  39           H        HIS  39  10.173   5.072  -1.863
  249    HA   HIS  39           HA       HIS  39  11.661   5.131  -4.387
  250    HB2  HIS  39           1HB      HIS  39   8.702   4.719  -3.912
  251    HB3  HIS  39           2HB      HIS  39   9.536   4.563  -5.455
  252    HD2  HIS  39           2HD      HIS  39   9.539   2.688  -1.974
  253    HE1  HIS  39           1HE      HIS  39  10.722   0.005  -5.040
  254    HE2  HIS  39           2HE      HIS  39  10.101   0.245  -2.611
  255    H    ARG  40           H        ARG  40  11.784   7.472  -2.914
  256    HA   ARG  40           HA       ARG  40   9.771   9.334  -3.715
  257    HB2  ARG  40           1HB      ARG  40  11.185   9.582  -1.670
  258    HB3  ARG  40           2HB      ARG  40  12.563   9.908  -2.712
  259    HG2  ARG  40           1HG      ARG  40  11.941  12.038  -2.242
  260    HG3  ARG  40           2HG      ARG  40  10.942  11.763  -3.670
  261    HD2  ARG  40           1HD      ARG  40   9.123  11.005  -2.075
  262    HD3  ARG  40           2HD      ARG  40  10.123  11.658  -0.778
  263    HE   ARG  40           HE       ARG  40   9.569  13.787  -1.454
  264   HH11  ARG  40          2HH1      ARG  40   8.547  11.483  -3.855
  265   HH12  ARG  40          1HH1      ARG  40   7.615  12.635  -4.753
  266   HH21  ARG  40          2HH2      ARG  40   8.345  15.313  -2.626
  267   HH22  ARG  40          1HH2      ARG  40   7.502  14.814  -4.053
  268    H    ALA  41           H        ALA  41  13.206   8.995  -4.623
  269    HA   ALA  41           HA       ALA  41  12.742  10.646  -6.981
  270    HB1  ALA  41           1HB      ALA  41  15.259   9.506  -5.781
  271    HB2  ALA  41           2HB      ALA  41  15.215  10.453  -7.268
  272    HB3  ALA  41           3HB      ALA  41  14.714  11.183  -5.743
  273    H    HIS  42           H        HIS  42  11.381   8.241  -7.099
  274    HA   HIS  42           HA       HIS  42  12.905   6.772  -9.150
  275    HB2  HIS  42           1HB      HIS  42  11.197   5.793  -6.912
  276    HB3  HIS  42           2HB      HIS  42  11.159   4.896  -8.427
  277    HD2  HIS  42           2HD      HIS  42  14.672   6.070  -8.122
  278    HE1  HIS  42           1HE      HIS  42  14.572   2.374  -6.040
  279    HE2  HIS  42           2HE      HIS  42  16.038   4.195  -6.978
  280    H    THR  43           H        THR  43  11.512   5.669 -10.771
  281    HA   THR  43           HA       THR  43   9.226   7.393 -11.451
  282    HB   THR  43           HB       THR  43  10.940   5.689 -13.270
  283    HG1  THR  43           1HG      THR  43  11.705   7.828 -12.325
  284   HG21  THR  43          1HG2      THR  43   9.455   5.998 -14.915
  285   HG22  THR  43          2HG2      THR  43   9.257   7.704 -14.516
  286   HG23  THR  43          3HG2      THR  43   8.315   6.483 -13.661
  287    H    VAL  44           H        VAL  44   7.536   6.354 -10.471
  288    HA   VAL  44           HA       VAL  44   7.157   3.496 -10.969
  289    HB   VAL  44           HB       VAL  44   5.615   5.387  -9.187
  290   HG11  VAL  44          1HG1      VAL  44   4.003   3.836  -9.446
  291   HG12  VAL  44          2HG1      VAL  44   5.126   2.619 -10.055
  292   HG13  VAL  44          3HG1      VAL  44   4.990   2.904  -8.320
  293   HG21  VAL  44          1HG2      VAL  44   7.656   5.096  -8.128
  294   HG22  VAL  44          2HG2      VAL  44   6.677   3.807  -7.428
  295   HG23  VAL  44          3HG2      VAL  44   7.835   3.439  -8.706
  296    H    VAL  45           H        VAL  45   5.476   2.663 -12.131
  297    HA   VAL  45           HA       VAL  45   3.842   4.608 -13.624
  298    HB   VAL  45           HB       VAL  45   3.670   3.001 -15.414
  299   HG11  VAL  45          1HG1      VAL  45   5.986   4.320 -14.694
  300   HG12  VAL  45          2HG1      VAL  45   6.538   2.686 -15.071
  301   HG13  VAL  45          3HG1      VAL  45   5.636   3.613 -16.271
  302   HG21  VAL  45          1HG2      VAL  45   5.467   0.977 -14.881
  303   HG22  VAL  45          2HG2      VAL  45   4.592   1.159 -13.361
  304   HG23  VAL  45          3HG2      VAL  45   3.709   0.839 -14.854
  305    HA   PRO  46           HA       PRO  46   0.226   2.967 -11.721
  306    HB2  PRO  46           1HB      PRO  46  -1.604   3.672 -13.599
  307    HB3  PRO  46           2HB      PRO  46  -0.852   4.839 -12.504
  308    HG2  PRO  46           1HG      PRO  46  -0.174   4.200 -15.349
  309    HG3  PRO  46           2HG      PRO  46  -0.285   5.781 -14.553
  310    HD2  PRO  46           1HD      PRO  46   2.080   4.546 -15.018
  311    HD3  PRO  46           2HD      PRO  46   1.810   5.593 -13.609
  312    H    LEU  47           H        LEU  47  -0.597   0.973 -11.630
  313    HA   LEU  47           HA       LEU  47  -0.381  -0.746 -13.986
  314    HB2  LEU  47           1HB      LEU  47  -0.625  -1.233 -11.048
  315    HB3  LEU  47           2HB      LEU  47  -1.066  -2.503 -12.187
  316    HG   LEU  47           HG       LEU  47   1.646  -1.188 -12.098
  317   HD11  LEU  47          1HD1      LEU  47   2.193  -3.582 -11.176
  318   HD12  LEU  47          2HD1      LEU  47   0.521  -3.515 -10.621
  319   HD13  LEU  47          3HD1      LEU  47   1.675  -2.291 -10.092
  320   HD21  LEU  47          1HD2      LEU  47   0.568  -2.500 -14.160
  321   HD22  LEU  47          2HD2      LEU  47   1.174  -3.877 -13.240
  322   HD23  LEU  47          3HD2      LEU  47   2.280  -2.601 -13.752
  323    H    SER  48           H        SER  48  -2.131  -2.157 -14.582
  324    HA   SER  48           HA       SER  48  -4.282  -2.537 -15.220
  325    HB2  SER  48           1HB      SER  48  -4.364  -2.974 -12.678
  326    HB3  SER  48           2HB      SER  48  -5.170  -1.410 -12.571
  327    HG   SER  48           HG       SER  48  -6.248  -2.951 -14.521
  328    H    GLY  49           H        GLY  49  -3.221  -0.141 -16.116
  329    HA2  GLY  49           1HA      GLY  49  -5.515   1.245 -16.944
  330    HA3  GLY  49           2HA      GLY  49  -4.798   2.133 -15.608
  331    HA   PRO  50           HA       PRO  50  -2.734   3.064 -19.796
  332    HB2  PRO  50           1HB      PRO  50  -3.825   5.510 -20.238
  333    HB3  PRO  50           2HB      PRO  50  -4.549   4.013 -20.837
  334    HG2  PRO  50           1HG      PRO  50  -5.259   5.625 -18.416
  335    HG3  PRO  50           2HG      PRO  50  -6.330   4.860 -19.605
  336    HD2  PRO  50           1HD      PRO  50  -5.816   3.757 -17.186
  337    HD3  PRO  50           2HD      PRO  50  -6.131   2.779 -18.634
  338    H    SER  51           H        SER  51  -0.733   3.758 -19.421
  339    HA   SER  51           HA       SER  51   0.018   5.238 -17.144
  340    HB2  SER  51           1HB      SER  51   1.518   4.674 -19.711
  341    HB3  SER  51           2HB      SER  51   2.245   5.404 -18.280
  342    HG   SER  51           HG       SER  51   1.617   2.791 -18.784
  343    H    SER  52           H        SER  52  -0.163   7.333 -16.752
  344    HA   SER  52           HA       SER  52  -0.641   9.164 -18.987
  345    HB2  SER  52           1HB      SER  52  -2.222   9.090 -17.024
  346    HB3  SER  52           2HB      SER  52  -0.918   9.737 -16.030
  347    HG   SER  52           HG       SER  52  -1.524  11.616 -16.718
  348    H    GLY  53           H        GLY  53   1.190   9.190 -15.919
  349    HA2  GLY  53           1HA      GLY  53   2.787  11.404 -16.500
  350    HA3  GLY  53           2HA      GLY  53   3.217  10.121 -15.379
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1 -19.106 -22.545   2.890
    2    HA2  GLY   1           1HA      GLY   1 -19.755 -19.938   2.126
    3    HA3  GLY   1           2HA      GLY   1 -18.575 -20.363   3.357
    4    H    SER   2           H        SER   2 -19.033 -18.920   0.374
    5    HA   SER   2           HA       SER   2 -16.448 -19.463  -0.754
    6    HB2  SER   2           1HB      SER   2 -18.795 -17.780  -1.477
    7    HB3  SER   2           2HB      SER   2 -17.231 -17.321  -2.151
    8    HG   SER   2           HG       SER   2 -17.567 -18.844  -3.546
    9    H    SER   3           H        SER   3 -14.599 -18.536  -0.206
   10    HA   SER   3           HA       SER   3 -14.443 -15.751   0.499
   11    HB2  SER   3           1HB      SER   3 -13.573 -16.006   2.727
   12    HB3  SER   3           2HB      SER   3 -15.108 -16.871   2.653
   13    HG   SER   3           HG       SER   3 -13.504 -18.122   3.673
   14    H    GLY   4           H        GLY   4 -12.583 -14.962  -0.250
   15    HA2  GLY   4           1HA      GLY   4 -10.182 -15.010  -0.398
   16    HA3  GLY   4           2HA      GLY   4 -10.262 -16.765  -0.444
   17    H    SER   5           H        SER   5 -11.792 -14.137  -2.309
   18    HA   SER   5           HA       SER   5 -10.742 -15.405  -4.752
   19    HB2  SER   5           1HB      SER   5 -13.456 -14.094  -4.478
   20    HB3  SER   5           2HB      SER   5 -12.815 -14.897  -5.911
   21    HG   SER   5           HG       SER   5 -12.824 -16.847  -4.748
   22    H    SER   6           H        SER   6 -12.013 -12.418  -3.321
   23    HA   SER   6           HA       SER   6 -11.299 -10.669  -5.380
   24    HB2  SER   6           1HB      SER   6 -12.761 -10.189  -3.343
   25    HB3  SER   6           2HB      SER   6 -11.260  -9.934  -2.452
   26    HG   SER   6           HG       SER   6 -11.414  -7.980  -3.209
   27    H    GLY   7           H        GLY   7  -9.324 -10.519  -6.228
   28    HA2  GLY   7           1HA      GLY   7  -6.975 -10.834  -4.519
   29    HA3  GLY   7           2HA      GLY   7  -6.983 -10.786  -6.275
   30    H    GLU   8           H        GLU   8  -6.803  -8.939  -3.355
   31    HA   GLU   8           HA       GLU   8  -6.305  -6.515  -4.957
   32    HB2  GLU   8           1HB      GLU   8  -8.340  -6.314  -3.593
   33    HB3  GLU   8           2HB      GLU   8  -7.411  -6.689  -2.148
   34    HG2  GLU   8           1HG      GLU   8  -7.882  -4.285  -2.418
   35    HG3  GLU   8           2HG      GLU   8  -6.160  -4.656  -2.351
   36    H    SER   9           H        SER   9  -4.086  -6.986  -5.130
   37    HA   SER   9           HA       SER   9  -2.326  -7.728  -3.160
   38    HB2  SER   9           1HB      SER   9  -1.783  -5.721  -5.361
   39    HB3  SER   9           2HB      SER   9  -0.568  -6.648  -4.481
   40    HG   SER   9           HG       SER   9  -1.072  -8.395  -5.590
   41    H    LEU  10           H        LEU  10  -0.873  -6.568  -1.802
   42    HA   LEU  10           HA       LEU  10  -1.528  -3.781  -1.231
   43    HB2  LEU  10           1HB      LEU  10  -1.485  -5.906   0.905
   44    HB3  LEU  10           2HB      LEU  10  -1.756  -4.181   1.146
   45    HG   LEU  10           HG       LEU  10  -3.610  -5.933  -0.456
   46   HD11  LEU  10          1HD1      LEU  10  -3.243  -5.768   2.411
   47   HD12  LEU  10          2HD1      LEU  10  -4.241  -6.867   1.460
   48   HD13  LEU  10          3HD1      LEU  10  -4.868  -5.285   1.923
   49   HD21  LEU  10          1HD2      LEU  10  -5.074  -4.141  -0.457
   50   HD22  LEU  10          2HD2      LEU  10  -3.511  -3.351  -0.662
   51   HD23  LEU  10          3HD2      LEU  10  -4.291  -3.365   0.920
   52    H    CYS  11           H        CYS  11   0.117  -2.633  -0.165
   53    HA   CYS  11           HA       CYS  11   2.738  -3.370  -0.802
   54    HB2  CYS  11           1HB      CYS  11   1.638  -1.049  -0.135
   55    HB3  CYS  11           2HB      CYS  11   2.253  -1.480   1.457
   56    HA   PRO  12           HA       PRO  12   3.744  -6.210   2.429
   57    HB2  PRO  12           1HB      PRO  12   6.439  -6.186   2.103
   58    HB3  PRO  12           2HB      PRO  12   5.345  -7.021   0.994
   59    HG2  PRO  12           1HG      PRO  12   6.642  -4.338   0.713
   60    HG3  PRO  12           2HG      PRO  12   6.441  -5.616  -0.500
   61    HD2  PRO  12           1HD      PRO  12   4.829  -3.442  -0.393
   62    HD3  PRO  12           2HD      PRO  12   4.254  -5.032  -0.936
   63    H    GLN  13           H        GLN  13   4.210  -2.942   2.520
   64    HA   GLN  13           HA       GLN  13   5.314  -3.087   5.241
   65    HB2  GLN  13           1HB      GLN  13   6.401  -0.844   4.753
   66    HB3  GLN  13           2HB      GLN  13   7.129  -2.246   3.980
   67    HG2  GLN  13           1HG      GLN  13   5.478  -1.555   2.027
   68    HG3  GLN  13           2HG      GLN  13   5.647   0.024   2.791
   69   HE21  GLN  13          1HE2      GLN  13   8.122   0.313   3.490
   70   HE22  GLN  13          2HE2      GLN  13   9.223   0.104   2.176
   71    H    HIS  14           H        HIS  14   3.439  -1.201   2.905
   72    HA   HIS  14           HA       HIS  14   2.162   0.255   5.103
   73    HB2  HIS  14           1HB      HIS  14   1.925   0.683   2.117
   74    HB3  HIS  14           2HB      HIS  14   1.259   1.727   3.370
   75    HD2  HIS  14           2HD      HIS  14   3.471   2.817   5.083
   76    HE1  HIS  14           1HE      HIS  14   6.089   2.870   1.745
   77    HE2  HIS  14           2HE      HIS  14   5.726   3.636   4.117
   78    H    HIS  15           H        HIS  15   1.653  -2.398   3.061
   79    HA   HIS  15           HA       HIS  15  -0.147  -3.709   2.568
   80    HB2  HIS  15           1HB      HIS  15  -1.180  -2.647   5.205
   81    HB3  HIS  15           2HB      HIS  15  -1.668  -4.143   4.414
   82    HD1  HIS  15           1HD      HIS  15  -0.882  -5.718   6.236
   83    HD2  HIS  15           2HD      HIS  15   2.111  -3.178   4.875
   84    HE1  HIS  15           1HE      HIS  15   1.250  -6.590   7.246
   85    H    GLU  16           H        GLU  16  -0.262  -1.257   1.294
   86    HA   GLU  16           HA       GLU  16  -3.116  -0.545   1.445
   87    HB2  GLU  16           1HB      GLU  16  -0.793   1.064   0.368
   88    HB3  GLU  16           2HB      GLU  16  -2.475   1.575   0.342
   89    HG2  GLU  16           1HG      GLU  16  -0.772   1.096   2.774
   90    HG3  GLU  16           2HG      GLU  16  -1.340   2.648   2.161
   91    H    ALA  17           H        ALA  17  -4.357  -0.519  -0.404
   92    HA   ALA  17           HA       ALA  17  -4.089  -2.395  -2.322
   93    HB1  ALA  17           1HB      ALA  17  -5.824  -1.405  -3.450
   94    HB2  ALA  17           2HB      ALA  17  -5.977  -0.635  -1.870
   95    HB3  ALA  17           3HB      ALA  17  -5.202   0.227  -3.199
   96    H    LEU  18           H        LEU  18  -2.467  -2.836  -3.655
   97    HA   LEU  18           HA       LEU  18  -0.633  -0.801  -4.541
   98    HB2  LEU  18           1HB      LEU  18  -0.832  -3.714  -5.292
   99    HB3  LEU  18           2HB      LEU  18   0.509  -2.641  -5.685
  100    HG   LEU  18           HG       LEU  18  -0.296  -3.359  -2.870
  101   HD11  LEU  18          1HD1      LEU  18   1.266  -4.828  -4.857
  102   HD12  LEU  18          2HD1      LEU  18   0.536  -5.379  -3.350
  103   HD13  LEU  18          3HD1      LEU  18   2.104  -4.572  -3.326
  104   HD21  LEU  18          1HD2      LEU  18   2.402  -2.648  -3.053
  105   HD22  LEU  18          2HD2      LEU  18   1.092  -1.712  -2.331
  106   HD23  LEU  18          3HD2      LEU  18   1.531  -1.458  -4.021
  107    H    SER  19           H        SER  19  -0.979   0.465  -6.230
  108    HA   SER  19           HA       SER  19  -2.551  -0.595  -8.487
  109    HB2  SER  19           1HB      SER  19  -2.706   2.016  -7.059
  110    HB3  SER  19           2HB      SER  19  -2.963   2.023  -8.804
  111    HG   SER  19           HG       SER  19  -4.887   1.702  -7.490
  112    H    LEU  20           H        LEU  20   0.176   1.333  -7.438
  113    HA   LEU  20           HA       LEU  20   1.028   1.746 -10.206
  114    HB2  LEU  20           1HB      LEU  20   2.160   2.796  -7.616
  115    HB3  LEU  20           2HB      LEU  20   2.762   3.194  -9.224
  116    HG   LEU  20           HG       LEU  20  -0.086   3.779  -8.543
  117   HD11  LEU  20          1HD1      LEU  20   0.560   5.033  -6.807
  118   HD12  LEU  20          2HD1      LEU  20   1.179   6.141  -8.031
  119   HD13  LEU  20          3HD1      LEU  20   2.261   4.973  -7.272
  120   HD21  LEU  20          1HD2      LEU  20  -0.001   5.189 -10.325
  121   HD22  LEU  20          2HD2      LEU  20   1.245   4.045 -10.825
  122   HD23  LEU  20          3HD2      LEU  20   1.702   5.577 -10.081
  123    H    PHE  21           H        PHE  21   3.344   1.377 -10.714
  124    HA   PHE  21           HA       PHE  21   4.579  -0.772  -9.157
  125    HB2  PHE  21           1HB      PHE  21   3.447  -2.050 -10.796
  126    HB3  PHE  21           2HB      PHE  21   3.839  -0.904 -12.074
  127    HD1  PHE  21           1HD      PHE  21   5.203  -3.533  -9.884
  128    HD2  PHE  21           2HD      PHE  21   5.878  -1.045 -13.271
  129    HE1  PHE  21           1HE      PHE  21   7.177  -4.878 -10.476
  130    HE2  PHE  21           2HE      PHE  21   7.851  -2.387 -13.868
  131    HZ   PHE  21           HZ       PHE  21   8.503  -4.307 -12.470
  132    H    CYS  22           H        CYS  22   6.766  -0.690  -9.084
  133    HA   CYS  22           HA       CYS  22   8.033   1.570 -10.452
  134    HB2  CYS  22           1HB      CYS  22   8.247   1.419  -7.988
  135    HB3  CYS  22           2HB      CYS  22   9.071  -0.126  -8.171
  136    H    TYR  23           H        TYR  23   9.369   1.272 -12.107
  137    HA   TYR  23           HA       TYR  23   9.989  -1.406 -12.987
  138    HB2  TYR  23           1HB      TYR  23  10.154   1.323 -14.131
  139    HB3  TYR  23           2HB      TYR  23  11.325   0.156 -14.734
  140    HD1  TYR  23           1HD      TYR  23   7.709   0.843 -14.366
  141    HD2  TYR  23           2HD      TYR  23  10.679  -1.561 -16.238
  142    HE1  TYR  23           1HE      TYR  23   6.003  -0.074 -15.883
  143    HE2  TYR  23           2HE      TYR  23   8.982  -2.483 -17.760
  144    HH   TYR  23           HH       TYR  23   6.399  -2.803 -17.659
  145    H    GLU  24           H        GLU  24  11.623   1.225 -11.398
  146    HA   GLU  24           HA       GLU  24  14.284   0.397 -11.882
  147    HB2  GLU  24           1HB      GLU  24  12.964   2.198  -9.888
  148    HB3  GLU  24           2HB      GLU  24  14.646   1.743  -9.656
  149    HG2  GLU  24           1HG      GLU  24  13.428   3.296 -11.910
  150    HG3  GLU  24           2HG      GLU  24  14.699   3.788 -10.793
  151    H    ASP  25           H        ASP  25  11.932  -0.391  -9.386
  152    HA   ASP  25           HA       ASP  25  13.862  -2.266  -8.196
  153    HB2  ASP  25           1HB      ASP  25  11.363  -1.007  -7.053
  154    HB3  ASP  25           2HB      ASP  25  12.275  -2.278  -6.244
  155    H    GLN  26           H        GLN  26  11.922  -2.480 -10.595
  156    HA   GLN  26           HA       GLN  26  10.295  -3.927 -11.384
  157    HB2  GLN  26           1HB      GLN  26  12.657  -5.435 -10.404
  158    HB3  GLN  26           2HB      GLN  26  11.244  -6.379 -10.857
  159    HG2  GLN  26           1HG      GLN  26  12.805  -6.169 -12.707
  160    HG3  GLN  26           2HG      GLN  26  11.267  -5.391 -13.073
  161   HE21  GLN  26          1HE2      GLN  26  12.062  -3.998 -14.591
  162   HE22  GLN  26          2HE2      GLN  26  13.131  -2.693 -14.216
  163    H    GLU  27           H        GLU  27   9.455  -2.952  -8.907
  164    HA   GLU  27           HA       GLU  27   7.956  -5.272  -7.922
  165    HB2  GLU  27           1HB      GLU  27   9.580  -3.345  -6.293
  166    HB3  GLU  27           2HB      GLU  27   8.163  -4.118  -5.597
  167    HG2  GLU  27           1HG      GLU  27  10.448  -5.629  -6.835
  168    HG3  GLU  27           2HG      GLU  27  10.334  -5.250  -5.117
  169    H    ALA  28           H        ALA  28   6.187  -4.387  -6.314
  170    HA   ALA  28           HA       ALA  28   4.818  -2.229  -7.756
  171    HB1  ALA  28           1HB      ALA  28   3.626  -4.352  -7.630
  172    HB2  ALA  28           2HB      ALA  28   3.701  -4.300  -5.868
  173    HB3  ALA  28           3HB      ALA  28   2.764  -3.091  -6.747
  174    H    VAL  29           H        VAL  29   3.839  -0.507  -6.659
  175    HA   VAL  29           HA       VAL  29   4.616  -0.162  -3.842
  176    HB   VAL  29           HB       VAL  29   5.033   2.247  -4.304
  177   HG11  VAL  29          1HG1      VAL  29   7.158   1.617  -5.845
  178   HG12  VAL  29          2HG1      VAL  29   7.067   1.293  -4.113
  179   HG13  VAL  29          3HG1      VAL  29   6.694   0.016  -5.271
  180   HG21  VAL  29          1HG2      VAL  29   4.957   3.181  -6.379
  181   HG22  VAL  29          2HG2      VAL  29   5.377   1.676  -7.196
  182   HG23  VAL  29          3HG2      VAL  29   3.735   1.929  -6.604
  183    H    CYS  30           H        CYS  30   3.413   1.750  -2.850
  184    HA   CYS  30           HA       CYS  30   0.630   1.730  -3.821
  185    HB2  CYS  30           1HB      CYS  30  -0.084   1.994  -1.502
  186    HB3  CYS  30           2HB      CYS  30   0.926   0.561  -1.669
  187    H    LEU  31           H        LEU  31  -0.619   3.685  -2.841
  188    HA   LEU  31           HA       LEU  31   0.312   6.012  -4.026
  189    HB2  LEU  31           1HB      LEU  31  -1.525   7.101  -3.094
  190    HB3  LEU  31           2HB      LEU  31  -2.042   5.423  -3.251
  191    HG   LEU  31           HG       LEU  31  -0.910   6.278  -0.640
  192   HD11  LEU  31          1HD1      LEU  31  -2.668   7.542   0.046
  193   HD12  LEU  31          2HD1      LEU  31  -3.800   6.778  -1.069
  194   HD13  LEU  31          3HD1      LEU  31  -2.664   7.990  -1.660
  195   HD21  LEU  31          1HD2      LEU  31  -2.209   4.573   0.206
  196   HD22  LEU  31          2HD2      LEU  31  -1.808   3.951  -1.395
  197   HD23  LEU  31          3HD2      LEU  31  -3.389   4.677  -1.101
  198    H    ILE  32           H        ILE  32   0.795   4.801  -0.773
  199    HA   ILE  32           HA       ILE  32   1.842   7.197   0.331
  200    HB   ILE  32           HB       ILE  32   2.212   4.324   1.182
  201   HG12  ILE  32          1HG1      ILE  32   0.432   6.522   2.257
  202   HG13  ILE  32          2HG1      ILE  32  -0.105   5.162   1.278
  203   HG21  ILE  32          1HG2      ILE  32   3.714   6.553   1.960
  204   HG22  ILE  32          2HG2      ILE  32   2.582   6.255   3.278
  205   HG23  ILE  32          3HG2      ILE  32   3.662   4.970   2.736
  206   HD11  ILE  32          1HD1      ILE  32   0.510   5.306   4.132
  207   HD12  ILE  32          2HD1      ILE  32  -0.569   4.225   3.250
  208   HD13  ILE  32          3HD1      ILE  32   1.161   3.888   3.310
  209    H    CYS  33           H        CYS  33   3.386   4.284  -1.001
  210    HA   CYS  33           HA       CYS  33   6.040   5.013  -0.579
  211    HB2  CYS  33           1HB      CYS  33   4.692   3.250  -2.605
  212    HB3  CYS  33           2HB      CYS  33   6.427   3.535  -2.683
  213    H    ALA  34           H        ALA  34   3.973   5.594  -3.412
  214    HA   ALA  34           HA       ALA  34   5.773   6.820  -5.092
  215    HB1  ALA  34           1HB      ALA  34   2.879   6.786  -4.791
  216    HB2  ALA  34           2HB      ALA  34   3.480   8.287  -5.496
  217    HB3  ALA  34           3HB      ALA  34   3.868   6.742  -6.251
  218    H    ILE  35           H        ILE  35   3.605   8.531  -2.828
  219    HA   ILE  35           HA       ILE  35   4.842  11.046  -3.172
  220    HB   ILE  35           HB       ILE  35   3.609  11.751  -1.182
  221   HG12  ILE  35          1HG1      ILE  35   2.710   8.879  -0.913
  222   HG13  ILE  35          2HG1      ILE  35   3.990   9.588   0.066
  223   HG21  ILE  35          1HG2      ILE  35   2.559  11.051  -3.559
  224   HG22  ILE  35          2HG2      ILE  35   1.594  10.042  -2.484
  225   HG23  ILE  35          3HG2      ILE  35   1.627  11.790  -2.258
  226   HD11  ILE  35          1HD1      ILE  35   1.636  11.235   0.131
  227   HD12  ILE  35          2HD1      ILE  35   1.262   9.576   0.600
  228   HD13  ILE  35          3HD1      ILE  35   2.517  10.473   1.455
  229    H    SER  36           H        SER  36   5.633   8.300  -1.236
  230    HA   SER  36           HA       SER  36   7.187   9.633   0.736
  231    HB2  SER  36           1HB      SER  36   6.791   6.815  -0.137
  232    HB3  SER  36           2HB      SER  36   8.257   7.178   0.774
  233    HG   SER  36           HG       SER  36   5.563   7.509   1.561
  234    H    HIS  37           H        HIS  37   9.488   9.631   0.953
  235    HA   HIS  37           HA       HIS  37  10.825  10.239  -1.525
  236    HB2  HIS  37           1HB      HIS  37  11.084  11.329   0.873
  237    HB3  HIS  37           2HB      HIS  37  12.294  10.065   1.071
  238    HD1  HIS  37           1HD      HIS  37  14.567  10.668   0.308
  239    HD2  HIS  37           2HD      HIS  37  11.649  12.956  -1.566
  240    HE1  HIS  37           1HE      HIS  37  15.819  12.329  -1.104
  241    H    THR  38           H        THR  38  10.107   7.642  -1.685
  242    HA   THR  38           HA       THR  38  12.688   6.245  -1.457
  243    HB   THR  38           HB       THR  38  10.058   4.811  -1.145
  244    HG1  THR  38           1HG      THR  38  11.340   6.421   0.654
  245   HG21  THR  38          1HG2      THR  38  12.881   4.086  -1.160
  246   HG22  THR  38          2HG2      THR  38  11.452   3.068  -1.345
  247   HG23  THR  38          3HG2      THR  38  12.029   3.494   0.266
  248    H    HIS  39           H        HIS  39   9.493   6.201  -3.026
  249    HA   HIS  39           HA       HIS  39  10.825   5.289  -5.491
  250    HB2  HIS  39           1HB      HIS  39   8.117   4.474  -4.423
  251    HB3  HIS  39           2HB      HIS  39   8.685   4.107  -6.049
  252    HD2  HIS  39           2HD      HIS  39   8.724   2.563  -2.606
  253    HE1  HIS  39           1HE      HIS  39  11.803   0.630  -4.793
  254    HE2  HIS  39           2HE      HIS  39  10.336   0.545  -2.747
  255    H    ARG  40           H        ARG  40  10.380   7.994  -4.739
  256    HA   ARG  40           HA       ARG  40   8.038   8.947  -6.121
  257    HB2  ARG  40           1HB      ARG  40   9.404   9.995  -4.101
  258    HB3  ARG  40           2HB      ARG  40  10.294  10.762  -5.410
  259    HG2  ARG  40           1HG      ARG  40   8.266  11.772  -6.248
  260    HG3  ARG  40           2HG      ARG  40   7.313  10.930  -5.025
  261    HD2  ARG  40           1HD      ARG  40   8.084  12.262  -3.314
  262    HD3  ARG  40           2HD      ARG  40   9.577  12.666  -4.161
  263    HE   ARG  40           HE       ARG  40   8.470  14.375  -5.264
  264   HH11  ARG  40          2HH1      ARG  40   6.232  12.460  -3.409
  265   HH12  ARG  40          1HH1      ARG  40   4.933  13.597  -3.559
  266   HH21  ARG  40          2HH2      ARG  40   6.768  15.880  -5.469
  267   HH22  ARG  40          1HH2      ARG  40   5.239  15.541  -4.731
  268    H    ALA  41           H        ALA  41  11.527   9.531  -6.607
  269    HA   ALA  41           HA       ALA  41  11.197  10.557  -9.228
  270    HB1  ALA  41           1HB      ALA  41  13.812   9.388  -8.555
  271    HB2  ALA  41           2HB      ALA  41  13.403  11.000  -9.143
  272    HB3  ALA  41           3HB      ALA  41  13.213  10.610  -7.433
  273    H    HIS  42           H        HIS  42  12.096   7.370  -7.976
  274    HA   HIS  42           HA       HIS  42  12.915   6.013 -10.161
  275    HB2  HIS  42           1HB      HIS  42  11.081   5.184  -7.932
  276    HB3  HIS  42           2HB      HIS  42  11.489   4.051  -9.218
  277    HD2  HIS  42           2HD      HIS  42  14.512   6.180  -8.371
  278    HE1  HIS  42           1HE      HIS  42  14.871   2.624  -6.086
  279    HE2  HIS  42           2HE      HIS  42  16.005   4.751  -6.815
  280    H    THR  43           H        THR  43  11.802   4.574 -11.679
  281    HA   THR  43           HA       THR  43   9.738   5.976 -13.078
  282    HB   THR  43           HB       THR  43   9.784   3.647 -14.391
  283    HG1  THR  43           1HG      THR  43  11.801   2.670 -14.180
  284   HG21  THR  43          1HG2      THR  43  11.491   4.583 -15.829
  285   HG22  THR  43          2HG2      THR  43  12.037   5.653 -14.538
  286   HG23  THR  43          3HG2      THR  43  10.441   5.876 -15.253
  287    H    VAL  44           H        VAL  44   7.651   5.892 -12.605
  288    HA   VAL  44           HA       VAL  44   6.548   3.377 -11.534
  289    HB   VAL  44           HB       VAL  44   5.692   6.186 -10.820
  290   HG11  VAL  44          1HG1      VAL  44   4.407   4.668  -9.049
  291   HG12  VAL  44          2HG1      VAL  44   3.706   5.099 -10.610
  292   HG13  VAL  44          3HG1      VAL  44   4.465   3.523 -10.388
  293   HG21  VAL  44          1HG2      VAL  44   6.987   6.068  -9.003
  294   HG22  VAL  44          2HG2      VAL  44   6.508   4.405  -8.665
  295   HG23  VAL  44          3HG2      VAL  44   7.806   4.732  -9.814
  296    H    VAL  45           H        VAL  45   4.681   2.628 -12.419
  297    HA   VAL  45           HA       VAL  45   3.306   4.313 -14.394
  298    HB   VAL  45           HB       VAL  45   3.190   2.550 -16.009
  299   HG11  VAL  45          1HG1      VAL  45   6.015   2.138 -15.554
  300   HG12  VAL  45          2HG1      VAL  45   5.199   3.046 -16.829
  301   HG13  VAL  45          3HG1      VAL  45   5.555   3.819 -15.284
  302   HG21  VAL  45          1HG2      VAL  45   4.063   0.358 -15.703
  303   HG22  VAL  45          2HG2      VAL  45   4.817   0.803 -14.172
  304   HG23  VAL  45          3HG2      VAL  45   3.060   0.714 -14.296
  305    HA   PRO  46           HA       PRO  46  -0.325   2.897 -12.342
  306    HB2  PRO  46           1HB      PRO  46  -2.140   3.434 -14.288
  307    HB3  PRO  46           2HB      PRO  46  -1.384   4.694 -13.306
  308    HG2  PRO  46           1HG      PRO  46  -0.697   3.782 -16.073
  309    HG3  PRO  46           2HG      PRO  46  -0.799   5.432 -15.432
  310    HD2  PRO  46           1HD      PRO  46   1.558   4.141 -15.763
  311    HD3  PRO  46           2HD      PRO  46   1.289   5.319 -14.462
  312    H    LEU  47           H        LEU  47  -0.963   0.865 -12.036
  313    HA   LEU  47           HA       LEU  47  -0.787  -1.060 -14.206
  314    HB2  LEU  47           1HB      LEU  47  -1.458  -1.414 -11.289
  315    HB3  LEU  47           2HB      LEU  47  -1.265  -2.724 -12.451
  316    HG   LEU  47           HG       LEU  47   0.903  -0.818 -11.571
  317   HD11  LEU  47          1HD1      LEU  47   0.060  -3.525 -10.680
  318   HD12  LEU  47          2HD1      LEU  47   0.711  -2.177  -9.748
  319   HD13  LEU  47          3HD1      LEU  47   1.785  -3.159 -10.743
  320   HD21  LEU  47          1HD2      LEU  47   1.260  -1.526 -13.848
  321   HD22  LEU  47          2HD2      LEU  47   0.960  -3.208 -13.410
  322   HD23  LEU  47          3HD2      LEU  47   2.387  -2.375 -12.791
  323    H    SER  48           H        SER  48  -3.232   0.250 -12.001
  324    HA   SER  48           HA       SER  48  -5.296  -0.575 -13.914
  325    HB2  SER  48           1HB      SER  48  -5.310  -2.277 -12.161
  326    HB3  SER  48           2HB      SER  48  -5.430  -1.028 -10.922
  327    HG   SER  48           HG       SER  48  -7.386  -2.168 -12.390
  328    H    GLY  49           H        GLY  49  -6.927   0.873 -14.195
  329    HA2  GLY  49           1HA      GLY  49  -8.210   2.648 -12.799
  330    HA3  GLY  49           2HA      GLY  49  -6.633   3.422 -12.763
  331    HA   PRO  50           HA       PRO  50  -8.818   5.207 -16.379
  332    HB2  PRO  50           1HB      PRO  50  -7.744   7.681 -16.071
  333    HB3  PRO  50           2HB      PRO  50  -9.184   7.144 -15.198
  334    HG2  PRO  50           1HG      PRO  50  -6.341   7.269 -14.267
  335    HG3  PRO  50           2HG      PRO  50  -7.822   7.733 -13.408
  336    HD2  PRO  50           1HD      PRO  50  -6.557   5.380 -12.965
  337    HD3  PRO  50           2HD      PRO  50  -8.318   5.558 -12.829
  338    H    SER  51           H        SER  51  -7.747   6.708 -18.129
  339    HA   SER  51           HA       SER  51  -4.918   6.269 -18.516
  340    HB2  SER  51           1HB      SER  51  -6.164   4.154 -19.302
  341    HB3  SER  51           2HB      SER  51  -6.755   5.155 -20.629
  342    HG   SER  51           HG       SER  51  -4.019   4.761 -19.979
  343    H    SER  52           H        SER  52  -4.016   7.730 -19.901
  344    HA   SER  52           HA       SER  52  -5.470  10.067 -20.507
  345    HB2  SER  52           1HB      SER  52  -2.821   9.198 -21.688
  346    HB3  SER  52           2HB      SER  52  -3.446  10.845 -21.597
  347    HG   SER  52           HG       SER  52  -2.423  10.896 -19.764
  348    H    GLY  53           H        GLY  53  -6.953  10.300 -22.037
  349    HA2  GLY  53           1HA      GLY  53  -6.531   8.901 -24.606
  350    HA3  GLY  53           2HA      GLY  53  -8.118   9.047 -23.865
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -7.752 -22.607   6.917
    2    HA2  GLY   1           1HA      GLY   1  -7.801 -19.969   7.008
    3    HA3  GLY   1           2HA      GLY   1  -6.379 -20.195   6.000
    4    H    SER   2           H        SER   2  -7.582 -18.993   4.385
    5    HA   SER   2           HA       SER   2  -9.475 -20.721   2.932
    6    HB2  SER   2           1HB      SER   2  -9.544 -17.701   3.142
    7    HB3  SER   2           2HB      SER   2 -10.625 -18.678   2.149
    8    HG   SER   2           HG       SER   2 -10.439 -19.333   4.848
    9    H    SER   3           H        SER   3  -9.641 -20.062   0.568
   10    HA   SER   3           HA       SER   3  -6.920 -19.790  -0.466
   11    HB2  SER   3           1HB      SER   3  -8.131 -21.715  -1.283
   12    HB3  SER   3           2HB      SER   3  -9.491 -20.706  -1.773
   13    HG   SER   3           HG       SER   3  -8.056 -19.689  -3.270
   14    H    GLY   4           H        GLY   4  -6.217 -18.007  -1.448
   15    HA2  GLY   4           1HA      GLY   4  -7.528 -16.372  -3.213
   16    HA3  GLY   4           2HA      GLY   4  -7.915 -15.704  -1.634
   17    H    SER   5           H        SER   5  -5.296 -16.464  -3.858
   18    HA   SER   5           HA       SER   5  -3.516 -14.699  -2.322
   19    HB2  SER   5           1HB      SER   5  -2.947 -16.854  -4.360
   20    HB3  SER   5           2HB      SER   5  -1.715 -15.725  -3.795
   21    HG   SER   5           HG       SER   5  -1.609 -16.760  -1.960
   22    H    SER   6           H        SER   6  -4.651 -15.371  -5.614
   23    HA   SER   6           HA       SER   6  -3.503 -12.859  -6.556
   24    HB2  SER   6           1HB      SER   6  -3.267 -14.934  -7.919
   25    HB3  SER   6           2HB      SER   6  -5.019 -14.964  -8.117
   26    HG   SER   6           HG       SER   6  -3.121 -13.293  -9.269
   27    H    GLY   7           H        GLY   7  -4.668 -11.095  -7.147
   28    HA2  GLY   7           1HA      GLY   7  -6.999 -10.471  -8.026
   29    HA3  GLY   7           2HA      GLY   7  -7.544 -11.180  -6.514
   30    H    GLU   8           H        GLU   8  -5.903 -10.248  -4.639
   31    HA   GLU   8           HA       GLU   8  -5.899  -7.322  -4.943
   32    HB2  GLU   8           1HB      GLU   8  -6.854  -7.016  -2.771
   33    HB3  GLU   8           2HB      GLU   8  -7.898  -8.116  -3.659
   34    HG2  GLU   8           1HG      GLU   8  -6.813 -10.012  -2.496
   35    HG3  GLU   8           2HG      GLU   8  -5.896  -8.851  -1.538
   36    H    SER   9           H        SER   9  -4.246  -6.232  -3.940
   37    HA   SER   9           HA       SER   9  -2.379  -7.732  -2.268
   38    HB2  SER   9           1HB      SER   9  -1.480  -6.209  -4.725
   39    HB3  SER   9           2HB      SER   9  -0.444  -7.074  -3.590
   40    HG   SER   9           HG       SER   9  -2.151  -8.852  -4.319
   41    H    LEU  10           H        LEU  10  -1.348  -6.506  -0.757
   42    HA   LEU  10           HA       LEU  10  -1.700  -3.591  -0.890
   43    HB2  LEU  10           1HB      LEU  10  -2.091  -5.279   1.576
   44    HB3  LEU  10           2HB      LEU  10  -2.232  -3.525   1.477
   45    HG   LEU  10           HG       LEU  10  -4.036  -5.418  -0.019
   46   HD11  LEU  10          1HD1      LEU  10  -4.060  -4.563   2.791
   47   HD12  LEU  10          2HD1      LEU  10  -4.826  -5.949   2.015
   48   HD13  LEU  10          3HD1      LEU  10  -5.586  -4.360   1.929
   49   HD21  LEU  10          1HD2      LEU  10  -5.106  -2.838   0.666
   50   HD22  LEU  10          2HD2      LEU  10  -4.925  -3.592  -0.918
   51   HD23  LEU  10          3HD2      LEU  10  -3.594  -2.664  -0.224
   52    H    CYS  11           H        CYS  11  -0.020  -2.374  -0.126
   53    HA   CYS  11           HA       CYS  11   2.547  -3.199  -0.258
   54    HB2  CYS  11           1HB      CYS  11   1.635  -0.831   0.113
   55    HB3  CYS  11           2HB      CYS  11   1.716  -1.194   1.834
   56    HA   PRO  12           HA       PRO  12   3.139  -6.006   3.111
   57    HB2  PRO  12           1HB      PRO  12   5.842  -6.184   2.932
   58    HB3  PRO  12           2HB      PRO  12   4.749  -6.986   1.797
   59    HG2  PRO  12           1HG      PRO  12   6.248  -4.413   1.488
   60    HG3  PRO  12           2HG      PRO  12   6.019  -5.722   0.314
   61    HD2  PRO  12           1HD      PRO  12   4.565  -3.439   0.252
   62    HD3  PRO  12           2HD      PRO  12   3.905  -5.006  -0.262
   63    H    GLN  13           H        GLN  13   3.872  -2.775   3.090
   64    HA   GLN  13           HA       GLN  13   4.769  -2.881   5.887
   65    HB2  GLN  13           1HB      GLN  13   5.867  -1.148   3.676
   66    HB3  GLN  13           2HB      GLN  13   6.113  -0.786   5.379
   67    HG2  GLN  13           1HG      GLN  13   6.979  -3.278   5.421
   68    HG3  GLN  13           2HG      GLN  13   7.260  -2.954   3.711
   69   HE21  GLN  13          1HE2      GLN  13   8.998  -1.809   3.130
   70   HE22  GLN  13          2HE2      GLN  13  10.100  -1.056   4.227
   71    H    HIS  14           H        HIS  14   3.117  -1.114   3.336
   72    HA   HIS  14           HA       HIS  14   1.904   0.652   5.345
   73    HB2  HIS  14           1HB      HIS  14   1.746   0.923   2.341
   74    HB3  HIS  14           2HB      HIS  14   1.332   2.135   3.549
   75    HD2  HIS  14           2HD      HIS  14   4.198   1.847   5.263
   76    HE1  HIS  14           1HE      HIS  14   5.894   3.097   1.581
   77    HE2  HIS  14           2HE      HIS  14   6.291   2.756   4.045
   78    H    HIS  15           H        HIS  15   1.278  -2.087   3.460
   79    HA   HIS  15           HA       HIS  15  -0.591  -3.300   2.988
   80    HB2  HIS  15           1HB      HIS  15  -1.675  -1.833   5.402
   81    HB3  HIS  15           2HB      HIS  15  -2.341  -3.309   4.711
   82    HD1  HIS  15           1HD      HIS  15  -1.934  -4.793   6.724
   83    HD2  HIS  15           2HD      HIS  15   1.505  -2.888   5.381
   84    HE1  HIS  15           1HE      HIS  15  -0.036  -5.873   7.972
   85    H    GLU  16           H        GLU  16  -0.299  -0.631   1.770
   86    HA   GLU  16           HA       GLU  16  -3.079   0.225   1.461
   87    HB2  GLU  16           1HB      GLU  16  -0.424   1.455   0.934
   88    HB3  GLU  16           2HB      GLU  16  -1.756   1.943  -0.104
   89    HG2  GLU  16           1HG      GLU  16  -1.321   3.371   1.930
   90    HG3  GLU  16           2HG      GLU  16  -2.979   2.823   1.690
   91    H    ALA  17           H        ALA  17  -4.177   0.166  -0.472
   92    HA   ALA  17           HA       ALA  17  -3.907  -1.935  -2.176
   93    HB1  ALA  17           1HB      ALA  17  -5.470  -0.921  -3.582
   94    HB2  ALA  17           2HB      ALA  17  -5.794  -0.207  -2.002
   95    HB3  ALA  17           3HB      ALA  17  -4.889   0.702  -3.212
   96    H    LEU  18           H        LEU  18  -2.459  -2.550  -3.634
   97    HA   LEU  18           HA       LEU  18  -0.382  -0.717  -4.475
   98    HB2  LEU  18           1HB      LEU  18  -0.798  -3.614  -5.194
   99    HB3  LEU  18           2HB      LEU  18   0.659  -2.665  -5.481
  100    HG   LEU  18           HG       LEU  18  -0.424  -3.346  -2.749
  101   HD11  LEU  18          1HD1      LEU  18   1.225  -5.043  -2.600
  102   HD12  LEU  18          2HD1      LEU  18   1.950  -4.568  -4.136
  103   HD13  LEU  18          3HD1      LEU  18   0.352  -5.313  -4.109
  104   HD21  LEU  18          1HD2      LEU  18   1.443  -1.421  -3.610
  105   HD22  LEU  18          2HD2      LEU  18   2.365  -2.726  -2.864
  106   HD23  LEU  18          3HD2      LEU  18   1.082  -1.922  -1.958
  107    H    SER  19           H        SER  19  -1.248   0.719  -5.918
  108    HA   SER  19           HA       SER  19  -2.367  -0.426  -8.394
  109    HB2  SER  19           1HB      SER  19  -3.031   2.093  -6.896
  110    HB3  SER  19           2HB      SER  19  -3.338   1.983  -8.629
  111    HG   SER  19           HG       SER  19  -4.265  -0.232  -7.549
  112    H    LEU  20           H        LEU  20   0.448  -0.008  -7.752
  113    HA   LEU  20           HA       LEU  20   1.144   1.553 -10.101
  114    HB2  LEU  20           1HB      LEU  20   2.296   2.158  -7.381
  115    HB3  LEU  20           2HB      LEU  20   2.860   2.841  -8.905
  116    HG   LEU  20           HG       LEU  20   0.046   3.251  -7.933
  117   HD11  LEU  20          1HD1      LEU  20   0.623   5.089  -6.684
  118   HD12  LEU  20          2HD1      LEU  20   2.173   5.295  -7.499
  119   HD13  LEU  20          3HD1      LEU  20   1.962   3.999  -6.321
  120   HD21  LEU  20          1HD2      LEU  20   1.733   4.213 -10.139
  121   HD22  LEU  20          2HD2      LEU  20   0.795   5.458  -9.314
  122   HD23  LEU  20          3HD2      LEU  20  -0.021   4.066 -10.028
  123    H    PHE  21           H        PHE  21   3.544   1.372 -10.555
  124    HA   PHE  21           HA       PHE  21   4.866  -0.923  -9.380
  125    HB2  PHE  21           1HB      PHE  21   3.574  -2.083 -11.022
  126    HB3  PHE  21           2HB      PHE  21   3.948  -0.883 -12.255
  127    HD1  PHE  21           2HD      PHE  21   6.130  -0.844 -13.333
  128    HD2  PHE  21           1HD      PHE  21   5.135  -3.812 -10.448
  129    HE1  PHE  21           2HE      PHE  21   8.050  -2.196 -14.067
  130    HE2  PHE  21           1HE      PHE  21   7.054  -5.169 -11.178
  131    HZ   PHE  21           HZ       PHE  21   8.514  -4.362 -12.990
  132    H    CYS  22           H        CYS  22   7.025  -0.692  -9.392
  133    HA   CYS  22           HA       CYS  22   8.119   1.609 -10.848
  134    HB2  CYS  22           1HB      CYS  22   8.482   1.691  -8.456
  135    HB3  CYS  22           2HB      CYS  22   9.175   0.072  -8.468
  136    H    TYR  23           H        TYR  23   9.633   1.389 -12.391
  137    HA   TYR  23           HA       TYR  23  10.216  -1.263 -13.360
  138    HB2  TYR  23           1HB      TYR  23  10.598   1.515 -14.351
  139    HB3  TYR  23           2HB      TYR  23  11.678   0.278 -14.985
  140    HD1  TYR  23           1HD      TYR  23   8.019   0.489 -14.214
  141    HD2  TYR  23           2HD      TYR  23  11.034  -0.522 -17.041
  142    HE1  TYR  23           1HE      TYR  23   6.281  -0.201 -15.812
  143    HE2  TYR  23           2HE      TYR  23   9.305  -1.213 -18.647
  144    HH   TYR  23           HH       TYR  23   6.306  -0.357 -18.603
  145    H    GLU  24           H        GLU  24  12.325   1.524 -12.631
  146    HA   GLU  24           HA       GLU  24  14.769   0.421 -12.682
  147    HB2  GLU  24           1HB      GLU  24  13.550   2.455 -10.885
  148    HB3  GLU  24           2HB      GLU  24  15.143   1.847 -10.458
  149    HG2  GLU  24           1HG      GLU  24  15.976   2.498 -12.667
  150    HG3  GLU  24           2HG      GLU  24  14.382   3.134 -13.070
  151    H    ASP  25           H        ASP  25  12.344  -0.157 -10.218
  152    HA   ASP  25           HA       ASP  25  14.182  -2.003  -8.851
  153    HB2  ASP  25           1HB      ASP  25  11.623  -0.703  -7.897
  154    HB3  ASP  25           2HB      ASP  25  12.528  -1.902  -6.977
  155    H    GLN  26           H        GLN  26  11.469  -1.860 -10.891
  156    HA   GLN  26           HA       GLN  26  10.005  -3.409 -11.694
  157    HB2  GLN  26           1HB      GLN  26  12.503  -4.914 -11.132
  158    HB3  GLN  26           2HB      GLN  26  11.060  -5.861 -11.464
  159    HG2  GLN  26           1HG      GLN  26  11.859  -5.659 -13.573
  160    HG3  GLN  26           2HG      GLN  26  10.870  -4.201 -13.507
  161   HE21  GLN  26          1HE2      GLN  26  12.056  -3.072 -14.997
  162   HE22  GLN  26          2HE2      GLN  26  13.662  -2.510 -14.699
  163    H    GLU  27           H        GLU  27   9.409  -2.606  -9.126
  164    HA   GLU  27           HA       GLU  27   8.274  -5.075  -7.998
  165    HB2  GLU  27           1HB      GLU  27   9.638  -2.818  -6.549
  166    HB3  GLU  27           2HB      GLU  27   8.496  -3.877  -5.735
  167    HG2  GLU  27           1HG      GLU  27  11.002  -4.782  -7.133
  168    HG3  GLU  27           2HG      GLU  27  10.831  -4.548  -5.394
  169    H    ALA  28           H        ALA  28   6.342  -4.697  -6.658
  170    HA   ALA  28           HA       ALA  28   4.676  -2.631  -7.878
  171    HB1  ALA  28           1HB      ALA  28   3.858  -4.940  -7.888
  172    HB2  ALA  28           2HB      ALA  28   3.888  -4.954  -6.124
  173    HB3  ALA  28           3HB      ALA  28   2.788  -3.872  -6.979
  174    H    VAL  29           H        VAL  29   4.504  -0.745  -6.873
  175    HA   VAL  29           HA       VAL  29   4.805  -0.645  -3.953
  176    HB   VAL  29           HB       VAL  29   5.087   1.811  -4.281
  177   HG11  VAL  29          1HG1      VAL  29   7.301   1.415  -5.737
  178   HG12  VAL  29          2HG1      VAL  29   7.155   0.916  -4.051
  179   HG13  VAL  29          3HG1      VAL  29   6.910  -0.259  -5.343
  180   HG21  VAL  29          1HG2      VAL  29   4.508   2.752  -6.206
  181   HG22  VAL  29          2HG2      VAL  29   5.787   1.855  -7.023
  182   HG23  VAL  29          3HG2      VAL  29   4.168   1.167  -6.900
  183    H    CYS  30           H        CYS  30   3.530   1.460  -3.115
  184    HA   CYS  30           HA       CYS  30   0.746   1.169  -4.036
  185    HB2  CYS  30           1HB      CYS  30  -0.040   1.284  -1.796
  186    HB3  CYS  30           2HB      CYS  30   1.275   0.114  -1.791
  187    H    LEU  31           H        LEU  31  -0.583   3.089  -2.921
  188    HA   LEU  31           HA       LEU  31   0.139   5.427  -4.246
  189    HB2  LEU  31           1HB      LEU  31  -1.621   6.514  -3.003
  190    HB3  LEU  31           2HB      LEU  31  -2.138   4.908  -3.512
  191    HG   LEU  31           HG       LEU  31  -1.305   4.299  -1.055
  192   HD11  LEU  31          1HD1      LEU  31  -0.636   6.712  -0.704
  193   HD12  LEU  31          2HD1      LEU  31  -1.677   6.003   0.530
  194   HD13  LEU  31          3HD1      LEU  31  -2.359   7.089  -0.681
  195   HD21  LEU  31          1HD2      LEU  31  -3.507   4.019  -0.559
  196   HD22  LEU  31          2HD2      LEU  31  -3.653   4.298  -2.295
  197   HD23  LEU  31          3HD2      LEU  31  -3.962   5.613  -1.160
  198    H    ILE  32           H        ILE  32   0.689   4.448  -0.897
  199    HA   ILE  32           HA       ILE  32   1.726   6.894   0.031
  200    HB   ILE  32           HB       ILE  32   2.336   4.097   0.994
  201   HG12  ILE  32          1HG1      ILE  32  -0.079   4.814   1.020
  202   HG13  ILE  32          2HG1      ILE  32   0.588   4.420   2.600
  203   HG21  ILE  32          1HG2      ILE  32   3.669   6.422   1.635
  204   HG22  ILE  32          2HG2      ILE  32   2.493   6.252   2.937
  205   HG23  ILE  32          3HG2      ILE  32   3.629   4.946   2.601
  206   HD11  ILE  32          1HD1      ILE  32  -0.887   6.533   2.289
  207   HD12  ILE  32          2HD1      ILE  32   0.554   6.605   3.304
  208   HD13  ILE  32          3HD1      ILE  32   0.599   7.248   1.663
  209    H    CYS  33           H        CYS  33   3.544   3.918  -0.736
  210    HA   CYS  33           HA       CYS  33   6.092   4.799  -0.601
  211    HB2  CYS  33           1HB      CYS  33   4.861   2.985  -2.677
  212    HB3  CYS  33           2HB      CYS  33   6.598   3.230  -2.530
  213    H    ALA  34           H        ALA  34   3.899   5.314  -3.335
  214    HA   ALA  34           HA       ALA  34   5.684   6.547  -5.084
  215    HB1  ALA  34           1HB      ALA  34   3.492   7.764  -5.849
  216    HB2  ALA  34           2HB      ALA  34   3.688   6.027  -6.088
  217    HB3  ALA  34           3HB      ALA  34   2.726   6.628  -4.738
  218    H    ILE  35           H        ILE  35   3.712   7.931  -2.490
  219    HA   ILE  35           HA       ILE  35   4.956  10.546  -2.950
  220    HB   ILE  35           HB       ILE  35   3.268  11.432  -1.396
  221   HG12  ILE  35          1HG1      ILE  35   1.919   8.745  -1.445
  222   HG13  ILE  35          2HG1      ILE  35   3.094   9.139  -0.195
  223   HG21  ILE  35          1HG2      ILE  35   1.727  11.624  -3.028
  224   HG22  ILE  35          2HG2      ILE  35   2.924  10.750  -3.981
  225   HG23  ILE  35          3HG2      ILE  35   1.581   9.880  -3.242
  226   HD11  ILE  35          1HD1      ILE  35   0.344  10.107  -0.587
  227   HD12  ILE  35          2HD1      ILE  35   1.255   9.825   0.898
  228   HD13  ILE  35          3HD1      ILE  35   1.518  11.300  -0.033
  229    H    SER  36           H        SER  36   6.153   8.091  -1.604
  230    HA   SER  36           HA       SER  36   6.756   9.302   1.011
  231    HB2  SER  36           1HB      SER  36   5.784   6.935   0.886
  232    HB3  SER  36           2HB      SER  36   7.345   6.448   0.228
  233    HG   SER  36           HG       SER  36   6.740   7.473   2.785
  234    H    HIS  37           H        HIS  37   7.979  10.284  -1.335
  235    HA   HIS  37           HA       HIS  37  10.008  10.549  -2.402
  236    HB2  HIS  37           1HB      HIS  37  11.079  10.429   0.413
  237    HB3  HIS  37           2HB      HIS  37  11.650  11.419  -0.926
  238    HD1  HIS  37           1HD      HIS  37  10.580  12.349   1.994
  239    HD2  HIS  37           2HD      HIS  37   8.625  12.683  -1.657
  240    HE1  HIS  37           1HE      HIS  37   8.926  14.221   2.286
  241    H    THR  38           H        THR  38   9.277   7.790  -2.237
  242    HA   THR  38           HA       THR  38  11.901   6.507  -1.850
  243    HB   THR  38           HB       THR  38   9.171   5.203  -1.898
  244    HG1  THR  38           1HG      THR  38  10.318   6.532   0.036
  245   HG21  THR  38          1HG2      THR  38  10.485   3.452  -2.529
  246   HG22  THR  38          2HG2      THR  38  10.769   3.368  -0.791
  247   HG23  THR  38          3HG2      THR  38  11.946   4.158  -1.840
  248    H    HIS  39           H        HIS  39   9.040   6.516  -3.964
  249    HA   HIS  39           HA       HIS  39  10.778   5.596  -6.160
  250    HB2  HIS  39           1HB      HIS  39   7.843   5.021  -5.709
  251    HB3  HIS  39           2HB      HIS  39   8.732   4.588  -7.167
  252    HD2  HIS  39           2HD      HIS  39   8.353   3.415  -3.472
  253    HE1  HIS  39           1HE      HIS  39  10.788   0.615  -5.530
  254    HE2  HIS  39           2HE      HIS  39   9.483   1.088  -3.428
  255    H    ARG  40           H        ARG  40  10.310   8.329  -5.352
  256    HA   ARG  40           HA       ARG  40   8.413   9.496  -7.160
  257    HB2  ARG  40           1HB      ARG  40  10.498  10.577  -5.293
  258    HB3  ARG  40           2HB      ARG  40   9.727  11.637  -6.465
  259    HG2  ARG  40           1HG      ARG  40   8.114   9.952  -4.585
  260    HG3  ARG  40           2HG      ARG  40   8.746  11.530  -4.110
  261    HD2  ARG  40           1HD      ARG  40   7.133  11.147  -6.615
  262    HD3  ARG  40           2HD      ARG  40   6.371  11.437  -5.052
  263    HE   ARG  40           HE       ARG  40   7.803  13.345  -6.671
  264   HH11  ARG  40          2HH1      ARG  40   6.644  12.553  -3.485
  265   HH12  ARG  40          1HH1      ARG  40   6.642  14.196  -2.935
  266   HH21  ARG  40          2HH2      ARG  40   7.805  15.512  -5.959
  267   HH22  ARG  40          1HH2      ARG  40   7.301  15.878  -4.344
  268    H    ALA  41           H        ALA  41  11.952   9.245  -7.039
  269    HA   ALA  41           HA       ALA  41  12.318  10.596  -9.541
  270    HB1  ALA  41           1HB      ALA  41  14.676   9.359  -9.161
  271    HB2  ALA  41           2HB      ALA  41  14.228  10.872  -8.373
  272    HB3  ALA  41           3HB      ALA  41  14.051   9.343  -7.512
  273    H    HIS  42           H        HIS  42  12.259   7.232  -8.468
  274    HA   HIS  42           HA       HIS  42  13.159   5.986 -10.782
  275    HB2  HIS  42           1HB      HIS  42  11.093   5.051  -8.781
  276    HB3  HIS  42           2HB      HIS  42  11.821   4.020 -10.011
  277    HD2  HIS  42           2HD      HIS  42  14.777   5.859  -9.022
  278    HE1  HIS  42           1HE      HIS  42  14.404   2.948  -5.959
  279    HE2  HIS  42           2HE      HIS  42  15.892   4.691  -7.001
  280    H    THR  43           H        THR  43  11.510   4.422 -12.012
  281    HA   THR  43           HA       THR  43   9.581   6.228 -13.290
  282    HB   THR  43           HB       THR  43  10.657   3.606 -14.343
  283    HG1  THR  43           1HG      THR  43  12.021   5.749 -14.060
  284   HG21  THR  43          1HG2      THR  43   8.599   5.452 -15.233
  285   HG22  THR  43          2HG2      THR  43   8.983   3.830 -15.810
  286   HG23  THR  43          3HG2      THR  43   9.856   5.223 -16.448
  287    H    VAL  44           H        VAL  44   7.859   5.980 -11.841
  288    HA   VAL  44           HA       VAL  44   6.770   3.299 -11.445
  289    HB   VAL  44           HB       VAL  44   5.886   5.953 -10.303
  290   HG11  VAL  44          1HG1      VAL  44   4.151   4.075 -10.606
  291   HG12  VAL  44          2HG1      VAL  44   5.030   3.257  -9.312
  292   HG13  VAL  44          3HG1      VAL  44   4.296   4.835  -9.021
  293   HG21  VAL  44          1HG2      VAL  44   6.891   5.217  -8.243
  294   HG22  VAL  44          2HG2      VAL  44   7.320   3.664  -8.960
  295   HG23  VAL  44          3HG2      VAL  44   8.099   5.142  -9.526
  296    H    VAL  45           H        VAL  45   5.017   2.538 -12.462
  297    HA   VAL  45           HA       VAL  45   3.495   4.404 -14.165
  298    HB   VAL  45           HB       VAL  45   3.112   2.588 -15.738
  299   HG11  VAL  45          1HG1      VAL  45   4.953   3.284 -16.761
  300   HG12  VAL  45          2HG1      VAL  45   5.618   3.818 -15.216
  301   HG13  VAL  45          3HG1      VAL  45   5.918   2.176 -15.787
  302   HG21  VAL  45          1HG2      VAL  45   5.030   0.891 -14.164
  303   HG22  VAL  45          2HG2      VAL  45   3.284   0.800 -13.931
  304   HG23  VAL  45          3HG2      VAL  45   3.984   0.415 -15.503
  305    HA   PRO  46           HA       PRO  46  -0.111   3.198 -11.946
  306    HB2  PRO  46           1HB      PRO  46  -1.988   3.801 -13.812
  307    HB3  PRO  46           2HB      PRO  46  -1.121   5.033 -12.889
  308    HG2  PRO  46           1HG      PRO  46  -0.617   4.047 -15.670
  309    HG3  PRO  46           2HG      PRO  46  -0.603   5.709 -15.053
  310    HD2  PRO  46           1HD      PRO  46   1.666   4.292 -15.474
  311    HD3  PRO  46           2HD      PRO  46   1.521   5.502 -14.183
  312    H    LEU  47           H        LEU  47  -0.636   1.141 -11.577
  313    HA   LEU  47           HA       LEU  47  -0.715  -0.801 -13.711
  314    HB2  LEU  47           1HB      LEU  47  -0.921  -0.878 -10.740
  315    HB3  LEU  47           2HB      LEU  47  -1.526  -2.248 -11.668
  316    HG   LEU  47           HG       LEU  47   1.298  -1.199 -11.817
  317   HD11  LEU  47          1HD1      LEU  47   0.246  -3.621 -10.363
  318   HD12  LEU  47          2HD1      LEU  47   0.760  -2.119  -9.596
  319   HD13  LEU  47          3HD1      LEU  47   1.929  -3.105 -10.474
  320   HD21  LEU  47          1HD2      LEU  47  -0.233  -3.267 -13.248
  321   HD22  LEU  47          2HD2      LEU  47   1.365  -3.755 -12.683
  322   HD23  LEU  47          3HD2      LEU  47   1.193  -2.357 -13.746
  323    H    SER  48           H        SER  48  -2.448  -0.794 -14.996
  324    HA   SER  48           HA       SER  48  -5.079  -1.090 -13.764
  325    HB2  SER  48           1HB      SER  48  -4.245   1.149 -15.558
  326    HB3  SER  48           2HB      SER  48  -5.877   0.502 -15.729
  327    HG   SER  48           HG       SER  48  -4.779   1.329 -13.251
  328    H    GLY  49           H        GLY  49  -6.755  -1.565 -15.568
  329    HA2  GLY  49           1HA      GLY  49  -6.014  -3.936 -16.850
  330    HA3  GLY  49           2HA      GLY  49  -7.459  -3.004 -17.211
  331    HA   PRO  50           HA       PRO  50  -5.721  -2.378 -21.214
  332    HB2  PRO  50           1HB      PRO  50  -7.402  -0.416 -22.047
  333    HB3  PRO  50           2HB      PRO  50  -7.885  -2.113 -21.937
  334    HG2  PRO  50           1HG      PRO  50  -8.391   0.127 -20.018
  335    HG3  PRO  50           2HG      PRO  50  -9.497  -1.144 -20.569
  336    HD2  PRO  50           1HD      PRO  50  -8.231  -1.251 -18.178
  337    HD3  PRO  50           2HD      PRO  50  -8.628  -2.706 -19.114
  338    H    SER  51           H        SER  51  -3.861  -1.354 -21.567
  339    HA   SER  51           HA       SER  51  -3.145   1.054 -20.210
  340    HB2  SER  51           1HB      SER  51  -1.459  -0.634 -20.773
  341    HB3  SER  51           2HB      SER  51  -1.768  -0.387 -22.491
  342    HG   SER  51           HG       SER  51  -0.568   1.339 -22.446
  343    H    SER  52           H        SER  52  -4.391   2.776 -20.765
  344    HA   SER  52           HA       SER  52  -4.412   3.544 -23.611
  345    HB2  SER  52           1HB      SER  52  -6.470   3.917 -21.445
  346    HB3  SER  52           2HB      SER  52  -6.456   4.949 -22.875
  347    HG   SER  52           HG       SER  52  -7.509   2.554 -22.644
  348    H    GLY  53           H        GLY  53  -4.414   4.868 -20.303
  349    HA2  GLY  53           1HA      GLY  53  -2.395   6.795 -21.023
  350    HA3  GLY  53           2HA      GLY  53  -3.974   7.514 -20.744
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -8.552  -9.423  12.891
    2    HA2  GLY   1           1HA      GLY   1 -10.261  -8.368  14.909
    3    HA3  GLY   1           2HA      GLY   1  -9.918  -7.153  13.687
    4    H    SER   2           H        SER   2 -12.480  -8.271  14.288
    5    HA   SER   2           HA       SER   2 -13.428 -10.317  12.779
    6    HB2  SER   2           1HB      SER   2 -14.596  -7.688  13.575
    7    HB3  SER   2           2HB      SER   2 -15.484  -8.674  12.413
    8    HG   SER   2           HG       SER   2 -14.592 -10.161  14.493
    9    H    SER   3           H        SER   3 -12.572 -10.728  10.805
   10    HA   SER   3           HA       SER   3 -13.557  -9.298   8.567
   11    HB2  SER   3           1HB      SER   3 -11.688  -7.777   9.349
   12    HB3  SER   3           2HB      SER   3 -10.566  -9.076   8.943
   13    HG   SER   3           HG       SER   3 -10.667  -7.854   7.140
   14    H    GLY   4           H        GLY   4 -13.765 -10.726   6.969
   15    HA2  GLY   4           1HA      GLY   4 -11.776 -12.870   6.701
   16    HA3  GLY   4           2HA      GLY   4 -13.469 -13.309   6.875
   17    H    SER   5           H        SER   5 -11.196 -11.519   4.842
   18    HA   SER   5           HA       SER   5 -12.462 -12.488   2.461
   19    HB2  SER   5           1HB      SER   5 -13.192 -10.392   1.538
   20    HB3  SER   5           2HB      SER   5 -13.932 -10.555   3.130
   21    HG   SER   5           HG       SER   5 -12.278  -9.190   3.942
   22    H    SER   6           H        SER   6 -11.358 -11.645   0.483
   23    HA   SER   6           HA       SER   6  -8.505 -11.368   1.046
   24    HB2  SER   6           1HB      SER   6  -9.958 -11.982  -1.539
   25    HB3  SER   6           2HB      SER   6  -8.206 -11.942  -1.344
   26    HG   SER   6           HG       SER   6  -8.387 -13.941  -0.754
   27    H    GLY   7           H        GLY   7 -11.035  -9.834  -0.927
   28    HA2  GLY   7           1HA      GLY   7 -11.262  -7.654  -1.625
   29    HA3  GLY   7           2HA      GLY   7  -9.989  -7.227  -0.491
   30    H    GLU   8           H        GLU   8  -7.995  -6.774  -1.246
   31    HA   GLU   8           HA       GLU   8  -7.204  -7.622  -3.907
   32    HB2  GLU   8           1HB      GLU   8  -7.701  -4.751  -3.165
   33    HB3  GLU   8           2HB      GLU   8  -6.554  -5.181  -4.425
   34    HG2  GLU   8           1HG      GLU   8  -8.553  -4.709  -5.542
   35    HG3  GLU   8           2HG      GLU   8  -8.445  -6.469  -5.511
   36    H    SER   9           H        SER   9  -4.934  -6.874  -4.401
   37    HA   SER   9           HA       SER   9  -3.207  -7.656  -2.342
   38    HB2  SER   9           1HB      SER   9  -2.572  -6.080  -4.849
   39    HB3  SER   9           2HB      SER   9  -1.387  -6.899  -3.832
   40    HG   SER   9           HG       SER   9  -2.361  -7.999  -5.815
   41    H    LEU  10           H        LEU  10  -1.630  -6.467  -1.169
   42    HA   LEU  10           HA       LEU  10  -1.950  -3.573  -1.031
   43    HB2  LEU  10           1HB      LEU  10  -2.183  -5.317   1.415
   44    HB3  LEU  10           2HB      LEU  10  -2.261  -3.557   1.364
   45    HG   LEU  10           HG       LEU  10  -4.278  -5.162  -0.147
   46   HD11  LEU  10          1HD1      LEU  10  -4.438  -4.540   2.798
   47   HD12  LEU  10          2HD1      LEU  10  -4.216  -6.144   2.100
   48   HD13  LEU  10          3HD1      LEU  10  -5.710  -5.253   1.807
   49   HD21  LEU  10          1HD2      LEU  10  -5.685  -3.207   0.471
   50   HD22  LEU  10          2HD2      LEU  10  -4.278  -2.791  -0.509
   51   HD23  LEU  10          3HD2      LEU  10  -4.267  -2.479   1.227
   52    H    CYS  11           H        CYS  11  -0.210  -2.498   0.041
   53    HA   CYS  11           HA       CYS  11   2.316  -3.638  -0.450
   54    HB2  CYS  11           1HB      CYS  11   1.564  -1.135  -0.226
   55    HB3  CYS  11           2HB      CYS  11   1.971  -1.366   1.472
   56    HA   PRO  12           HA       PRO  12   2.879  -6.072   3.196
   57    HB2  PRO  12           1HB      PRO  12   5.551  -6.480   2.939
   58    HB3  PRO  12           2HB      PRO  12   4.352  -7.313   1.943
   59    HG2  PRO  12           1HG      PRO  12   6.020  -4.915   1.290
   60    HG3  PRO  12           2HG      PRO  12   5.643  -6.323   0.281
   61    HD2  PRO  12           1HD      PRO  12   4.359  -3.954   0.014
   62    HD3  PRO  12           2HD      PRO  12   3.564  -5.511  -0.295
   63    H    GLN  13           H        GLN  13   3.905  -2.935   2.757
   64    HA   GLN  13           HA       GLN  13   5.045  -2.829   5.472
   65    HB2  GLN  13           1HB      GLN  13   5.699  -1.006   3.151
   66    HB3  GLN  13           2HB      GLN  13   6.385  -0.910   4.767
   67    HG2  GLN  13           1HG      GLN  13   6.684  -3.313   2.988
   68    HG3  GLN  13           2HG      GLN  13   7.837  -1.980   3.029
   69   HE21  GLN  13          1HE2      GLN  13   9.564  -2.528   4.133
   70   HE22  GLN  13          2HE2      GLN  13   9.593  -3.431   5.605
   71    H    HIS  14           H        HIS  14   3.004  -1.267   3.072
   72    HA   HIS  14           HA       HIS  14   2.000   0.568   5.137
   73    HB2  HIS  14           1HB      HIS  14   1.645   0.682   2.134
   74    HB3  HIS  14           2HB      HIS  14   1.067   1.883   3.285
   75    HD2  HIS  14           2HD      HIS  14   3.091   3.520   4.412
   76    HE1  HIS  14           1HE      HIS  14   6.090   2.291   1.674
   77    HE2  HIS  14           2HE      HIS  14   5.487   3.900   3.516
   78    H    HIS  15           H        HIS  15   1.117  -2.047   3.025
   79    HA   HIS  15           HA       HIS  15  -0.730  -3.376   2.932
   80    HB2  HIS  15           1HB      HIS  15  -0.499  -2.926   5.531
   81    HB3  HIS  15           2HB      HIS  15  -1.986  -2.017   5.277
   82    HD1  HIS  15           1HD      HIS  15  -3.975  -3.381   5.762
   83    HD2  HIS  15           2HD      HIS  15  -0.877  -5.686   4.229
   84    HE1  HIS  15           1HE      HIS  15  -4.860  -5.733   5.689
   85    H    GLU  16           H        GLU  16  -0.618  -0.704   1.680
   86    HA   GLU  16           HA       GLU  16  -3.455   0.037   1.635
   87    HB2  GLU  16           1HB      GLU  16  -0.917   1.444   0.985
   88    HB3  GLU  16           2HB      GLU  16  -2.345   1.893   0.064
   89    HG2  GLU  16           1HG      GLU  16  -1.930   3.308   2.056
   90    HG3  GLU  16           2HG      GLU  16  -3.513   2.532   2.038
   91    H    ALA  17           H        ALA  17  -4.446   0.499  -0.472
   92    HA   ALA  17           HA       ALA  17  -4.429  -1.658  -2.189
   93    HB1  ALA  17           1HB      ALA  17  -5.838  -0.429  -3.605
   94    HB2  ALA  17           2HB      ALA  17  -6.143   0.218  -1.992
   95    HB3  ALA  17           3HB      ALA  17  -5.124   1.110  -3.122
   96    H    LEU  18           H        LEU  18  -2.947  -2.403  -3.545
   97    HA   LEU  18           HA       LEU  18  -0.752  -0.715  -4.394
   98    HB2  LEU  18           1HB      LEU  18  -1.361  -3.630  -4.846
   99    HB3  LEU  18           2HB      LEU  18   0.084  -2.820  -5.447
  100    HG   LEU  18           HG       LEU  18  -0.623  -3.034  -2.525
  101   HD11  LEU  18          1HD1      LEU  18   1.116  -4.784  -2.440
  102   HD12  LEU  18          2HD1      LEU  18   1.185  -4.767  -4.202
  103   HD13  LEU  18          3HD1      LEU  18  -0.296  -5.263  -3.383
  104   HD21  LEU  18          1HD2      LEU  18   1.316  -1.967  -2.081
  105   HD22  LEU  18          2HD2      LEU  18   1.055  -1.289  -3.689
  106   HD23  LEU  18          3HD2      LEU  18   2.145  -2.660  -3.476
  107    H    SER  19           H        SER  19  -1.366   0.689  -5.954
  108    HA   SER  19           HA       SER  19  -2.490  -0.474  -8.417
  109    HB2  SER  19           1HB      SER  19  -3.059   2.271  -7.270
  110    HB3  SER  19           2HB      SER  19  -3.668   1.658  -8.807
  111    HG   SER  19           HG       SER  19  -4.620   1.260  -6.313
  112    H    LEU  20           H        LEU  20   0.305   0.085  -7.527
  113    HA   LEU  20           HA       LEU  20   1.105   1.586  -9.904
  114    HB2  LEU  20           1HB      LEU  20   2.141   2.143  -7.128
  115    HB3  LEU  20           2HB      LEU  20   2.808   2.817  -8.613
  116    HG   LEU  20           HG       LEU  20  -0.013   3.312  -7.674
  117   HD11  LEU  20          1HD1      LEU  20   2.445   5.019  -7.305
  118   HD12  LEU  20          2HD1      LEU  20   1.545   4.197  -6.031
  119   HD13  LEU  20          3HD1      LEU  20   0.789   5.505  -6.941
  120   HD21  LEU  20          1HD2      LEU  20  -0.135   3.936  -9.838
  121   HD22  LEU  20          2HD2      LEU  20   1.613   4.110 -10.000
  122   HD23  LEU  20          3HD2      LEU  20   0.665   5.391  -9.243
  123    H    PHE  21           H        PHE  21   3.420   1.290 -10.418
  124    HA   PHE  21           HA       PHE  21   4.689  -1.026  -9.185
  125    HB2  PHE  21           1HB      PHE  21   3.441  -2.113 -10.907
  126    HB3  PHE  21           2HB      PHE  21   3.884  -0.888 -12.091
  127    HD1  PHE  21           1HD      PHE  21   5.297  -3.581  -9.965
  128    HD2  PHE  21           2HD      PHE  21   5.753  -1.173 -13.446
  129    HE1  PHE  21           1HE      PHE  21   7.215  -4.956 -10.661
  130    HE2  PHE  21           2HE      PHE  21   7.671  -2.545 -14.147
  131    HZ   PHE  21           HZ       PHE  21   8.404  -4.440 -12.755
  132    H    CYS  22           H        CYS  22   6.675  -0.377  -8.722
  133    HA   CYS  22           HA       CYS  22   7.911   1.833 -10.067
  134    HB2  CYS  22           1HB      CYS  22   8.152   1.191  -7.596
  135    HB3  CYS  22           2HB      CYS  22   9.281  -0.042  -8.147
  136    H    TYR  23           H        TYR  23   8.600   1.517 -12.095
  137    HA   TYR  23           HA       TYR  23   9.473  -0.932 -13.164
  138    HB2  TYR  23           1HB      TYR  23   8.727   1.351 -14.294
  139    HB3  TYR  23           2HB      TYR  23  10.464   1.631 -14.326
  140    HD1  TYR  23           1HD      TYR  23   7.769  -0.601 -15.507
  141    HD2  TYR  23           2HD      TYR  23  11.868   0.482 -15.867
  142    HE1  TYR  23           1HE      TYR  23   7.944  -1.964 -17.547
  143    HE2  TYR  23           2HE      TYR  23  12.053  -0.877 -17.909
  144    HH   TYR  23           HH       TYR  23  10.249  -3.184 -18.752
  145    H    GLU  24           H        GLU  24  11.235   1.794 -11.770
  146    HA   GLU  24           HA       GLU  24  13.831   1.055 -12.424
  147    HB2  GLU  24           1HB      GLU  24  12.939   3.173 -11.225
  148    HB3  GLU  24           2HB      GLU  24  13.155   2.243  -9.749
  149    HG2  GLU  24           1HG      GLU  24  15.377   2.613 -11.726
  150    HG3  GLU  24           2HG      GLU  24  15.043   3.792 -10.458
  151    H    ASP  25           H        ASP  25  12.179   0.406  -9.327
  152    HA   ASP  25           HA       ASP  25  14.150  -1.584  -8.624
  153    HB2  ASP  25           1HB      ASP  25  11.623  -0.666  -7.240
  154    HB3  ASP  25           2HB      ASP  25  12.735  -1.859  -6.575
  155    H    GLN  26           H        GLN  26  11.906  -1.751 -10.836
  156    HA   GLN  26           HA       GLN  26  10.395  -3.308 -11.616
  157    HB2  GLN  26           1HB      GLN  26  12.933  -4.724 -10.928
  158    HB3  GLN  26           2HB      GLN  26  11.564  -5.671 -11.494
  159    HG2  GLN  26           1HG      GLN  26  12.694  -3.319 -12.987
  160    HG3  GLN  26           2HG      GLN  26  13.193  -4.988 -13.259
  161   HE21  GLN  26          1HE2      GLN  26  11.455  -2.699 -14.599
  162   HE22  GLN  26          2HE2      GLN  26  10.168  -3.610 -15.304
  163    H    GLU  27           H        GLU  27   9.496  -2.628  -9.175
  164    HA   GLU  27           HA       GLU  27   8.379  -5.144  -8.221
  165    HB2  GLU  27           1HB      GLU  27   8.839  -4.692  -5.895
  166    HB3  GLU  27           2HB      GLU  27  10.354  -4.697  -6.786
  167    HG2  GLU  27           1HG      GLU  27  10.233  -2.209  -6.864
  168    HG3  GLU  27           2HG      GLU  27   8.834  -2.300  -5.796
  169    H    ALA  28           H        ALA  28   6.413  -4.893  -7.041
  170    HA   ALA  28           HA       ALA  28   4.858  -2.652  -7.935
  171    HB1  ALA  28           1HB      ALA  28   3.003  -3.844  -7.290
  172    HB2  ALA  28           2HB      ALA  28   4.156  -5.148  -7.577
  173    HB3  ALA  28           3HB      ALA  28   3.830  -4.606  -5.930
  174    H    VAL  29           H        VAL  29   3.914  -1.039  -6.709
  175    HA   VAL  29           HA       VAL  29   4.639  -0.865  -3.875
  176    HB   VAL  29           HB       VAL  29   5.252   1.522  -4.141
  177   HG11  VAL  29          1HG1      VAL  29   6.830  -0.670  -5.403
  178   HG12  VAL  29          2HG1      VAL  29   7.440   0.984  -5.478
  179   HG13  VAL  29          3HG1      VAL  29   7.135   0.225  -3.915
  180   HG21  VAL  29          1HG2      VAL  29   5.179   0.889  -7.090
  181   HG22  VAL  29          2HG2      VAL  29   4.084   1.974  -6.232
  182   HG23  VAL  29          3HG2      VAL  29   5.795   2.378  -6.374
  183    H    CYS  30           H        CYS  30   3.540   1.184  -2.911
  184    HA   CYS  30           HA       CYS  30   0.775   1.239  -3.921
  185    HB2  CYS  30           1HB      CYS  30   0.073   1.719  -1.637
  186    HB3  CYS  30           2HB      CYS  30   1.041   0.249  -1.675
  187    H    LEU  31           H        LEU  31  -0.408   3.311  -3.147
  188    HA   LEU  31           HA       LEU  31   0.645   5.496  -4.502
  189    HB2  LEU  31           1HB      LEU  31  -1.200   6.696  -3.778
  190    HB3  LEU  31           2HB      LEU  31  -1.758   5.025  -3.740
  191    HG   LEU  31           HG       LEU  31  -0.749   6.431  -1.281
  192   HD11  LEU  31          1HD1      LEU  31  -2.966   7.245  -2.710
  193   HD12  LEU  31          2HD1      LEU  31  -2.652   7.551  -1.002
  194   HD13  LEU  31          3HD1      LEU  31  -3.631   6.166  -1.484
  195   HD21  LEU  31          1HD2      LEU  31  -0.963   3.903  -1.424
  196   HD22  LEU  31          2HD2      LEU  31  -2.706   4.161  -1.521
  197   HD23  LEU  31          3HD2      LEU  31  -1.812   4.697  -0.097
  198    H    ILE  32           H        ILE  32   0.899   4.594  -1.114
  199    HA   ILE  32           HA       ILE  32   2.015   7.031  -0.195
  200    HB   ILE  32           HB       ILE  32   2.270   4.249   0.953
  201   HG12  ILE  32          1HG1      ILE  32   0.470   6.494   1.862
  202   HG13  ILE  32          2HG1      ILE  32  -0.050   5.268   0.711
  203   HG21  ILE  32          1HG2      ILE  32   2.814   6.913   2.256
  204   HG22  ILE  32          2HG2      ILE  32   2.919   5.331   3.027
  205   HG23  ILE  32          3HG2      ILE  32   4.041   5.759   1.736
  206   HD11  ILE  32          1HD1      ILE  32   1.039   4.541   3.404
  207   HD12  ILE  32          2HD1      ILE  32  -0.663   4.931   3.153
  208   HD13  ILE  32          3HD1      ILE  32   0.064   3.566   2.305
  209    H    CYS  33           H        CYS  33   3.447   3.995  -1.326
  210    HA   CYS  33           HA       CYS  33   6.124   4.592  -0.780
  211    HB2  CYS  33           1HB      CYS  33   4.714   2.745  -2.651
  212    HB3  CYS  33           2HB      CYS  33   6.435   3.020  -2.900
  213    H    ALA  34           H        ALA  34   4.215   5.148  -3.725
  214    HA   ALA  34           HA       ALA  34   6.205   6.218  -5.335
  215    HB1  ALA  34           1HB      ALA  34   4.481   7.118  -6.686
  216    HB2  ALA  34           2HB      ALA  34   3.847   5.622  -5.998
  217    HB3  ALA  34           3HB      ALA  34   3.354   7.179  -5.331
  218    H    ILE  35           H        ILE  35   3.868   8.035  -3.339
  219    HA   ILE  35           HA       ILE  35   5.008  10.559  -3.751
  220    HB   ILE  35           HB       ILE  35   3.806  11.254  -1.702
  221   HG12  ILE  35          1HG1      ILE  35   2.944   8.364  -1.504
  222   HG13  ILE  35          2HG1      ILE  35   4.194   9.079  -0.491
  223   HG21  ILE  35          1HG2      ILE  35   1.596   9.851  -2.733
  224   HG22  ILE  35          2HG2      ILE  35   2.121  11.487  -3.125
  225   HG23  ILE  35          3HG2      ILE  35   2.698  10.124  -4.082
  226   HD11  ILE  35          1HD1      ILE  35   1.526   8.954   0.095
  227   HD12  ILE  35          2HD1      ILE  35   2.699  10.032   0.852
  228   HD13  ILE  35          3HD1      ILE  35   1.718  10.604  -0.496
  229    H    SER  36           H        SER  36   5.921   7.954  -1.658
  230    HA   SER  36           HA       SER  36   7.439   9.424   0.221
  231    HB2  SER  36           1HB      SER  36   8.063   7.382   1.084
  232    HB3  SER  36           2HB      SER  36   6.636   6.891   0.172
  233    HG   SER  36           HG       SER  36   8.384   6.656  -1.596
  234    H    HIS  37           H        HIS  37   9.470  10.192   0.174
  235    HA   HIS  37           HA       HIS  37  10.797  10.758  -2.170
  236    HB2  HIS  37           1HB      HIS  37  11.169  11.543   0.336
  237    HB3  HIS  37           2HB      HIS  37  12.436  10.322   0.286
  238    HD1  HIS  37           1HD      HIS  37  12.845  13.483   0.480
  239    HD2  HIS  37           2HD      HIS  37  13.289  11.129  -2.914
  240    HE1  HIS  37           1HE      HIS  37  14.385  14.771  -1.034
  241    H    THR  38           H        THR  38  10.808   7.825  -0.337
  242    HA   THR  38           HA       THR  38  13.207   6.669  -1.160
  243    HB   THR  38           HB       THR  38  10.601   5.210  -0.688
  244    HG1  THR  38           1HG      THR  38  11.773   6.744   0.993
  245   HG21  THR  38          1HG2      THR  38  11.799   3.382  -1.132
  246   HG22  THR  38          2HG2      THR  38  12.800   3.755   0.271
  247   HG23  THR  38          3HG2      THR  38  13.268   4.336  -1.327
  248    H    HIS  39           H        HIS  39  10.105   6.912  -2.792
  249    HA   HIS  39           HA       HIS  39  11.363   5.782  -5.203
  250    HB2  HIS  39           1HB      HIS  39   8.514   5.366  -4.274
  251    HB3  HIS  39           2HB      HIS  39   9.156   4.838  -5.826
  252    HD2  HIS  39           2HD      HIS  39   9.621   3.958  -2.015
  253    HE1  HIS  39           1HE      HIS  39  10.986   0.713  -4.383
  254    HE2  HIS  39           2HE      HIS  39  10.446   1.507  -2.054
  255    H    ARG  40           H        ARG  40  11.797   8.178  -5.408
  256    HA   ARG  40           HA       ARG  40   9.468   9.540  -6.594
  257    HB2  ARG  40           1HB      ARG  40  11.707  10.502  -4.904
  258    HB3  ARG  40           2HB      ARG  40  11.193  11.568  -6.204
  259    HG2  ARG  40           1HG      ARG  40   9.199  10.402  -4.302
  260    HG3  ARG  40           2HG      ARG  40  10.132  11.839  -3.878
  261    HD2  ARG  40           1HD      ARG  40   8.297  11.499  -6.246
  262    HD3  ARG  40           2HD      ARG  40   8.017  12.506  -4.826
  263    HE   ARG  40           HE       ARG  40   9.751  13.095  -7.073
  264   HH11  ARG  40          2HH1      ARG  40   8.793  13.888  -3.822
  265   HH12  ARG  40          1HH1      ARG  40   9.428  15.499  -3.888
  266   HH21  ARG  40          2HH2      ARG  40  10.591  15.214  -7.173
  267   HH22  ARG  40          1HH2      ARG  40  10.450  16.252  -5.795
  268    H    ALA  41           H        ALA  41  12.991   9.150  -6.879
  269    HA   ALA  41           HA       ALA  41  13.146  10.339  -9.461
  270    HB1  ALA  41           1HB      ALA  41  15.216   8.404  -8.569
  271    HB2  ALA  41           2HB      ALA  41  15.395   9.983  -9.335
  272    HB3  ALA  41           3HB      ALA  41  14.989   9.876  -7.623
  273    H    HIS  42           H        HIS  42  12.547   7.112  -8.292
  274    HA   HIS  42           HA       HIS  42  13.147   5.661 -10.620
  275    HB2  HIS  42           1HB      HIS  42  11.018   5.026  -8.568
  276    HB3  HIS  42           2HB      HIS  42  11.781   3.888  -9.674
  277    HD2  HIS  42           2HD      HIS  42  14.885   5.179  -8.895
  278    HE1  HIS  42           1HE      HIS  42  13.935   3.368  -5.178
  279    HE2  HIS  42           2HE      HIS  42  15.753   4.389  -6.590
  280    H    THR  43           H        THR  43  11.523   4.554 -12.013
  281    HA   THR  43           HA       THR  43   9.547   6.515 -12.925
  282    HB   THR  43           HB       THR  43  10.533   4.040 -14.356
  283    HG1  THR  43           1HG      THR  43  12.043   5.931 -13.896
  284   HG21  THR  43          1HG2      THR  43   8.333   5.731 -14.848
  285   HG22  THR  43          2HG2      THR  43   8.992   4.481 -15.904
  286   HG23  THR  43          3HG2      THR  43   9.561   6.145 -16.044
  287    H    VAL  44           H        VAL  44   8.015   6.007 -11.251
  288    HA   VAL  44           HA       VAL  44   6.901   3.363 -11.072
  289    HB   VAL  44           HB       VAL  44   5.845   5.961  -9.947
  290   HG11  VAL  44          1HG1      VAL  44   5.173   3.575  -8.479
  291   HG12  VAL  44          2HG1      VAL  44   4.114   4.824  -9.138
  292   HG13  VAL  44          3HG1      VAL  44   4.610   3.465 -10.147
  293   HG21  VAL  44          1HG2      VAL  44   7.987   5.622  -9.008
  294   HG22  VAL  44          2HG2      VAL  44   6.836   5.035  -7.807
  295   HG23  VAL  44          3HG2      VAL  44   7.714   3.890  -8.821
  296    H    VAL  45           H        VAL  45   5.325   2.528 -12.270
  297    HA   VAL  45           HA       VAL  45   3.724   4.353 -13.941
  298    HB   VAL  45           HB       VAL  45   3.506   2.627 -15.579
  299   HG11  VAL  45          1HG1      VAL  45   5.750   3.944 -15.233
  300   HG12  VAL  45          2HG1      VAL  45   6.389   2.336 -14.882
  301   HG13  VAL  45          3HG1      VAL  45   5.632   2.664 -16.441
  302   HG21  VAL  45          1HG2      VAL  45   4.735   0.427 -15.216
  303   HG22  VAL  45          2HG2      VAL  45   4.790   0.865 -13.509
  304   HG23  VAL  45          3HG2      VAL  45   3.236   0.659 -14.317
  305    HA   PRO  46           HA       PRO  46   0.111   3.014 -11.810
  306    HB2  PRO  46           1HB      PRO  46  -1.742   3.572 -13.714
  307    HB3  PRO  46           2HB      PRO  46  -0.937   4.824 -12.761
  308    HG2  PRO  46           1HG      PRO  46  -0.337   3.878 -15.537
  309    HG3  PRO  46           2HG      PRO  46  -0.391   5.535 -14.907
  310    HD2  PRO  46           1HD      PRO  46   1.931   4.195 -15.287
  311    HD3  PRO  46           2HD      PRO  46   1.718   5.388 -13.990
  312    H    LEU  47           H        LEU  47  -0.807   1.081 -11.505
  313    HA   LEU  47           HA       LEU  47  -0.627  -0.905 -13.641
  314    HB2  LEU  47           1HB      LEU  47  -0.958  -1.023 -10.676
  315    HB3  LEU  47           2HB      LEU  47  -1.453  -2.398 -11.661
  316    HG   LEU  47           HG       LEU  47   1.328  -1.231 -11.676
  317   HD11  LEU  47          1HD1      LEU  47   1.046  -2.064  -9.494
  318   HD12  LEU  47          2HD1      LEU  47   1.863  -3.347 -10.387
  319   HD13  LEU  47          3HD1      LEU  47   0.134  -3.464 -10.058
  320   HD21  LEU  47          1HD2      LEU  47   0.176  -2.764 -13.561
  321   HD22  LEU  47          2HD2      LEU  47   0.767  -4.017 -12.469
  322   HD23  LEU  47          3HD2      LEU  47   1.890  -2.842 -13.154
  323    H    SER  48           H        SER  48  -2.969   0.846 -11.734
  324    HA   SER  48           HA       SER  48  -5.273  -0.560 -11.969
  325    HB2  SER  48           1HB      SER  48  -6.468   1.621 -12.134
  326    HB3  SER  48           2HB      SER  48  -5.220   1.613 -10.888
  327    HG   SER  48           HG       SER  48  -3.843   2.669 -12.404
  328    H    GLY  49           H        GLY  49  -6.957  -0.753 -13.489
  329    HA2  GLY  49           1HA      GLY  49  -6.133  -1.200 -16.146
  330    HA3  GLY  49           2HA      GLY  49  -7.797  -1.175 -15.583
  331    HA   PRO  50           HA       PRO  50  -8.304   2.398 -18.117
  332    HB2  PRO  50           1HB      PRO  50 -10.704   3.206 -17.138
  333    HB3  PRO  50           2HB      PRO  50 -10.525   1.816 -18.215
  334    HG2  PRO  50           1HG      PRO  50 -10.808   1.879 -15.235
  335    HG3  PRO  50           2HG      PRO  50 -11.579   0.797 -16.410
  336    HD2  PRO  50           1HD      PRO  50  -9.426   0.059 -14.943
  337    HD3  PRO  50           2HD      PRO  50  -9.712  -0.544 -16.588
  338    H    SER  51           H        SER  51  -6.814   3.922 -17.544
  339    HA   SER  51           HA       SER  51  -7.596   5.760 -15.388
  340    HB2  SER  51           1HB      SER  51  -5.153   6.023 -14.840
  341    HB3  SER  51           2HB      SER  51  -5.825   4.445 -14.430
  342    HG   SER  51           HG       SER  51  -4.878   4.453 -16.956
  343    H    SER  52           H        SER  52  -8.468   6.938 -17.244
  344    HA   SER  52           HA       SER  52  -6.719   7.965 -19.254
  345    HB2  SER  52           1HB      SER  52  -9.235   7.668 -19.460
  346    HB3  SER  52           2HB      SER  52  -9.399   9.113 -18.462
  347    HG   SER  52           HG       SER  52  -7.796   9.132 -20.780
  348    H    GLY  53           H        GLY  53  -8.199   9.343 -16.330
  349    HA2  GLY  53           1HA      GLY  53  -7.424  11.022 -14.948
  350    HA3  GLY  53           2HA      GLY  53  -5.947  11.062 -15.900
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -8.880 -20.718  10.220
    2    HA2  GLY   1           1HA      GLY   1  -7.126 -22.159   8.357
    3    HA3  GLY   1           2HA      GLY   1  -7.749 -20.531   8.132
    4    H    SER   2           H        SER   2  -5.101 -21.041   7.696
    5    HA   SER   2           HA       SER   2  -3.839 -19.647   9.961
    6    HB2  SER   2           1HB      SER   2  -2.883 -22.052   8.449
    7    HB3  SER   2           2HB      SER   2  -1.705 -20.924   9.119
    8    HG   SER   2           HG       SER   2  -3.547 -22.577  10.441
    9    H    SER   3           H        SER   3  -3.412 -20.491   6.526
   10    HA   SER   3           HA       SER   3  -1.744 -18.197   6.044
   11    HB2  SER   3           1HB      SER   3  -2.893 -20.370   4.310
   12    HB3  SER   3           2HB      SER   3  -2.111 -18.962   3.591
   13    HG   SER   3           HG       SER   3  -0.239 -19.729   4.164
   14    H    GLY   4           H        GLY   4  -4.931 -19.206   4.782
   15    HA2  GLY   4           1HA      GLY   4  -6.781 -17.956   4.224
   16    HA3  GLY   4           2HA      GLY   4  -6.071 -16.623   5.123
   17    H    SER   5           H        SER   5  -7.167 -17.469   2.179
   18    HA   SER   5           HA       SER   5  -5.180 -16.459   0.434
   19    HB2  SER   5           1HB      SER   5  -8.122 -17.005   0.171
   20    HB3  SER   5           2HB      SER   5  -7.253 -16.180  -1.123
   21    HG   SER   5           HG       SER   5  -6.170 -18.537  -0.073
   22    H    SER   6           H        SER   6  -5.813 -14.544  -1.084
   23    HA   SER   6           HA       SER   6  -6.646 -12.279   0.609
   24    HB2  SER   6           1HB      SER   6  -4.428 -12.435  -1.436
   25    HB3  SER   6           2HB      SER   6  -5.057 -10.906  -0.822
   26    HG   SER   6           HG       SER   6  -3.151 -12.076   0.256
   27    H    GLY   7           H        GLY   7  -7.664 -10.501  -0.475
   28    HA2  GLY   7           1HA      GLY   7  -9.056 -11.358  -2.932
   29    HA3  GLY   7           2HA      GLY   7  -9.727 -10.263  -1.732
   30    H    GLU   8           H        GLU   8  -7.527  -8.564  -1.377
   31    HA   GLU   8           HA       GLU   8  -7.126  -7.416  -4.054
   32    HB2  GLU   8           1HB      GLU   8  -7.524  -5.169  -3.146
   33    HB3  GLU   8           2HB      GLU   8  -8.948  -6.189  -2.999
   34    HG2  GLU   8           1HG      GLU   8  -8.634  -6.465  -0.678
   35    HG3  GLU   8           2HG      GLU   8  -7.005  -5.795  -0.746
   36    H    SER   9           H        SER   9  -5.108  -6.736  -4.465
   37    HA   SER   9           HA       SER   9  -2.969  -7.429  -2.817
   38    HB2  SER   9           1HB      SER   9  -3.271  -5.723  -5.253
   39    HB3  SER   9           2HB      SER   9  -1.751  -5.652  -4.362
   40    HG   SER   9           HG       SER   9  -2.881  -7.757  -5.804
   41    H    LEU  10           H        LEU  10  -1.678  -6.315  -1.401
   42    HA   LEU  10           HA       LEU  10  -2.190  -3.506  -0.871
   43    HB2  LEU  10           1HB      LEU  10  -2.490  -5.586   1.289
   44    HB3  LEU  10           2HB      LEU  10  -2.602  -3.839   1.499
   45    HG   LEU  10           HG       LEU  10  -4.509  -5.366  -0.255
   46   HD11  LEU  10          1HD1      LEU  10  -4.324  -5.345   2.647
   47   HD12  LEU  10          2HD1      LEU  10  -5.299  -6.354   1.579
   48   HD13  LEU  10          3HD1      LEU  10  -5.877  -4.756   2.052
   49   HD21  LEU  10          1HD2      LEU  10  -4.943  -3.214  -0.769
   50   HD22  LEU  10          2HD2      LEU  10  -4.210  -2.598   0.712
   51   HD23  LEU  10          3HD2      LEU  10  -5.848  -3.254   0.744
   52    H    CYS  11           H        CYS  11  -0.440  -2.448  -0.062
   53    HA   CYS  11           HA       CYS  11   2.099  -3.555  -0.333
   54    HB2  CYS  11           1HB      CYS  11   1.334  -1.069  -0.193
   55    HB3  CYS  11           2HB      CYS  11   1.587  -1.263   1.538
   56    HA   PRO  12           HA       PRO  12   2.541  -5.952   3.353
   57    HB2  PRO  12           1HB      PRO  12   5.230  -6.306   3.226
   58    HB3  PRO  12           2HB      PRO  12   4.097  -7.169   2.179
   59    HG2  PRO  12           1HG      PRO  12   5.745  -4.741   1.591
   60    HG3  PRO  12           2HG      PRO  12   5.445  -6.163   0.575
   61    HD2  PRO  12           1HD      PRO  12   4.127  -3.822   0.232
   62    HD3  PRO  12           2HD      PRO  12   3.380  -5.397  -0.105
   63    H    GLN  13           H        GLN  13   3.531  -2.798   2.939
   64    HA   GLN  13           HA       GLN  13   4.498  -2.648   5.718
   65    HB2  GLN  13           1HB      GLN  13   6.094  -2.107   3.663
   66    HB3  GLN  13           2HB      GLN  13   5.282  -0.550   3.753
   67    HG2  GLN  13           1HG      GLN  13   6.386  -1.709   6.254
   68    HG3  GLN  13           2HG      GLN  13   7.504  -1.030   5.073
   69   HE21  GLN  13          1HE2      GLN  13   7.269   1.187   4.494
   70   HE22  GLN  13          2HE2      GLN  13   6.539   2.305   5.590
   71    H    HIS  14           H        HIS  14   2.708  -1.053   3.130
   72    HA   HIS  14           HA       HIS  14   1.573   0.832   5.068
   73    HB2  HIS  14           1HB      HIS  14   1.448   0.783   2.046
   74    HB3  HIS  14           2HB      HIS  14   0.675   1.998   3.059
   75    HD2  HIS  14           2HD      HIS  14   2.496   3.763   4.379
   76    HE1  HIS  14           1HE      HIS  14   5.781   2.706   1.913
   77    HE2  HIS  14           2HE      HIS  14   4.930   4.287   3.678
   78    H    HIS  15           H        HIS  15   0.822  -1.985   3.249
   79    HA   HIS  15           HA       HIS  15  -1.052  -3.257   3.036
   80    HB2  HIS  15           1HB      HIS  15  -1.977  -1.753   5.492
   81    HB3  HIS  15           2HB      HIS  15  -2.589  -3.304   4.923
   82    HD1  HIS  15           1HD      HIS  15  -1.904  -4.688   6.923
   83    HD2  HIS  15           2HD      HIS  15   1.255  -2.556   5.269
   84    HE1  HIS  15           1HE      HIS  15   0.164  -5.565   8.053
   85    H    GLU  16           H        GLU  16  -0.992  -0.965   1.452
   86    HA   GLU  16           HA       GLU  16  -3.842  -0.216   1.383
   87    HB2  GLU  16           1HB      GLU  16  -1.377   1.412   0.895
   88    HB3  GLU  16           2HB      GLU  16  -2.866   1.826   0.056
   89    HG2  GLU  16           1HG      GLU  16  -2.747   1.515   3.036
   90    HG3  GLU  16           2HG      GLU  16  -2.376   3.037   2.230
   91    H    ALA  17           H        ALA  17  -4.897  -0.300  -0.565
   92    HA   ALA  17           HA       ALA  17  -4.468  -2.173  -2.406
   93    HB1  ALA  17           1HB      ALA  17  -6.453  -0.937  -2.594
   94    HB2  ALA  17           2HB      ALA  17  -5.586   0.582  -2.828
   95    HB3  ALA  17           3HB      ALA  17  -5.588  -0.638  -4.102
   96    H    LEU  18           H        LEU  18  -2.927  -2.720  -3.795
   97    HA   LEU  18           HA       LEU  18  -0.816  -0.818  -4.413
   98    HB2  LEU  18           1HB      LEU  18  -1.121  -3.759  -4.995
   99    HB3  LEU  18           2HB      LEU  18   0.281  -2.796  -5.460
  100    HG   LEU  18           HG       LEU  18  -0.607  -3.194  -2.607
  101   HD11  LEU  18          1HD1      LEU  18   1.397  -4.715  -4.260
  102   HD12  LEU  18          2HD1      LEU  18  -0.016  -5.349  -3.416
  103   HD13  LEU  18          3HD1      LEU  18   1.361  -4.742  -2.496
  104   HD21  LEU  18          1HD2      LEU  18   1.279  -2.067  -1.975
  105   HD22  LEU  18          2HD2      LEU  18   0.906  -1.218  -3.476
  106   HD23  LEU  18          3HD2      LEU  18   2.151  -2.468  -3.454
  107    H    SER  19           H        SER  19  -1.629   0.589  -5.919
  108    HA   SER  19           HA       SER  19  -2.464  -0.593  -8.487
  109    HB2  SER  19           1HB      SER  19  -4.178   0.789  -7.144
  110    HB3  SER  19           2HB      SER  19  -3.208   2.189  -7.601
  111    HG   SER  19           HG       SER  19  -5.089   1.177  -9.010
  112    H    LEU  20           H        LEU  20   0.249  -0.068  -7.660
  113    HA   LEU  20           HA       LEU  20   1.033   1.627  -9.886
  114    HB2  LEU  20           1HB      LEU  20   2.051   2.133  -7.094
  115    HB3  LEU  20           2HB      LEU  20   2.568   2.964  -8.559
  116    HG   LEU  20           HG       LEU  20  -0.280   3.086  -7.617
  117   HD11  LEU  20          1HD1      LEU  20   2.097   4.570  -6.593
  118   HD12  LEU  20          2HD1      LEU  20   0.702   3.938  -5.720
  119   HD13  LEU  20          3HD1      LEU  20   0.539   5.388  -6.711
  120   HD21  LEU  20          1HD2      LEU  20  -0.192   3.944  -9.749
  121   HD22  LEU  20          2HD2      LEU  20   1.451   4.556  -9.553
  122   HD23  LEU  20          3HD2      LEU  20   0.100   5.393  -8.787
  123    H    PHE  21           H        PHE  21   3.475   1.570 -10.164
  124    HA   PHE  21           HA       PHE  21   4.859  -0.665  -8.988
  125    HB2  PHE  21           1HB      PHE  21   3.710  -1.968 -10.594
  126    HB3  PHE  21           2HB      PHE  21   3.911  -0.747 -11.846
  127    HD1  PHE  21           2HD      PHE  21   6.077  -0.454 -12.957
  128    HD2  PHE  21           1HD      PHE  21   5.424  -3.556 -10.116
  129    HE1  PHE  21           2HE      PHE  21   8.099  -1.606 -13.754
  130    HE2  PHE  21           1HE      PHE  21   7.446  -4.712 -10.909
  131    HZ   PHE  21           HZ       PHE  21   8.786  -3.738 -12.731
  132    H    CYS  22           H        CYS  22   7.053  -0.482  -9.160
  133    HA   CYS  22           HA       CYS  22   8.027   1.961 -10.457
  134    HB2  CYS  22           1HB      CYS  22   8.458   1.588  -8.011
  135    HB3  CYS  22           2HB      CYS  22   9.463   0.212  -8.453
  136    H    TYR  23           H        TYR  23   9.302   1.895 -12.193
  137    HA   TYR  23           HA       TYR  23   9.914  -0.636 -13.409
  138    HB2  TYR  23           1HB      TYR  23  10.102   2.225 -14.191
  139    HB3  TYR  23           2HB      TYR  23  11.183   1.102 -15.008
  140    HD1  TYR  23           2HD      TYR  23   9.846  -1.195 -15.693
  141    HD2  TYR  23           1HD      TYR  23   8.157   2.692 -15.321
  142    HE1  TYR  23           2HE      TYR  23   8.026  -1.847 -17.212
  143    HE2  TYR  23           1HE      TYR  23   6.331   2.051 -16.838
  144    HH   TYR  23           HH       TYR  23   5.844   0.432 -18.553
  145    H    GLU  24           H        GLU  24  11.850   2.091 -12.187
  146    HA   GLU  24           HA       GLU  24  14.375   1.045 -12.665
  147    HB2  GLU  24           1HB      GLU  24  13.270   3.011 -10.713
  148    HB3  GLU  24           2HB      GLU  24  14.914   2.436 -10.473
  149    HG2  GLU  24           1HG      GLU  24  15.667   3.367 -12.461
  150    HG3  GLU  24           2HG      GLU  24  14.040   3.501 -13.126
  151    H    ASP  25           H        ASP  25  12.243   0.583  -9.880
  152    HA   ASP  25           HA       ASP  25  14.154  -1.170  -8.580
  153    HB2  ASP  25           1HB      ASP  25  11.371  -0.258  -7.844
  154    HB3  ASP  25           2HB      ASP  25  12.289  -1.412  -6.882
  155    H    GLN  26           H        GLN  26  11.721  -1.457 -10.898
  156    HA   GLN  26           HA       GLN  26  10.601  -3.209 -11.830
  157    HB2  GLN  26           1HB      GLN  26  13.165  -4.446 -10.883
  158    HB3  GLN  26           2HB      GLN  26  11.935  -5.437 -11.656
  159    HG2  GLN  26           1HG      GLN  26  13.246  -3.013 -12.866
  160    HG3  GLN  26           2HG      GLN  26  13.643  -4.691 -13.232
  161   HE21  GLN  26          1HE2      GLN  26  12.150  -2.137 -14.455
  162   HE22  GLN  26          2HE2      GLN  26  10.897  -2.894 -15.373
  163    H    GLU  27           H        GLU  27   9.529  -2.554  -9.423
  164    HA   GLU  27           HA       GLU  27   8.495  -5.123  -8.539
  165    HB2  GLU  27           1HB      GLU  27   8.833  -4.667  -6.176
  166    HB3  GLU  27           2HB      GLU  27  10.379  -4.678  -7.014
  167    HG2  GLU  27           1HG      GLU  27  10.236  -2.178  -7.109
  168    HG3  GLU  27           2HG      GLU  27   8.835  -2.289  -6.046
  169    H    ALA  28           H        ALA  28   6.653  -4.763  -6.930
  170    HA   ALA  28           HA       ALA  28   4.982  -2.618  -7.990
  171    HB1  ALA  28           1HB      ALA  28   4.027  -4.834  -8.020
  172    HB2  ALA  28           2HB      ALA  28   4.293  -5.006  -6.285
  173    HB3  ALA  28           3HB      ALA  28   3.132  -3.822  -6.886
  174    H    VAL  29           H        VAL  29   3.981  -1.066  -6.730
  175    HA   VAL  29           HA       VAL  29   4.607  -0.974  -3.875
  176    HB   VAL  29           HB       VAL  29   5.325   1.368  -3.995
  177   HG11  VAL  29          1HG1      VAL  29   7.471   0.820  -5.481
  178   HG12  VAL  29          2HG1      VAL  29   7.218   0.118  -3.883
  179   HG13  VAL  29          3HG1      VAL  29   6.823  -0.812  -5.328
  180   HG21  VAL  29          1HG2      VAL  29   5.832   1.292  -6.892
  181   HG22  VAL  29          2HG2      VAL  29   4.138   1.444  -6.426
  182   HG23  VAL  29          3HG2      VAL  29   5.317   2.629  -5.863
  183    H    CYS  30           H        CYS  30   3.533   1.151  -2.954
  184    HA   CYS  30           HA       CYS  30   0.800   1.234  -4.048
  185    HB2  CYS  30           1HB      CYS  30   0.013   1.698  -1.811
  186    HB3  CYS  30           2HB      CYS  30   1.037   0.266  -1.765
  187    H    LEU  31           H        LEU  31  -0.278   3.381  -2.925
  188    HA   LEU  31           HA       LEU  31   0.768   5.532  -4.419
  189    HB2  LEU  31           1HB      LEU  31  -0.963   6.858  -3.445
  190    HB3  LEU  31           2HB      LEU  31  -1.611   5.256  -3.788
  191    HG   LEU  31           HG       LEU  31  -0.649   5.990  -1.041
  192   HD11  LEU  31          1HD1      LEU  31  -2.495   7.151  -0.526
  193   HD12  LEU  31          2HD1      LEU  31  -3.535   6.142  -1.531
  194   HD13  LEU  31          3HD1      LEU  31  -2.593   7.441  -2.263
  195   HD21  LEU  31          1HD2      LEU  31  -0.996   3.695  -1.195
  196   HD22  LEU  31          2HD2      LEU  31  -2.399   3.877  -2.248
  197   HD23  LEU  31          3HD2      LEU  31  -2.520   4.294  -0.538
  198    H    ILE  32           H        ILE  32   0.962   4.693  -0.994
  199    HA   ILE  32           HA       ILE  32   2.198   7.063  -0.109
  200    HB   ILE  32           HB       ILE  32   2.421   4.277   1.037
  201   HG12  ILE  32          1HG1      ILE  32   0.768   5.595   2.703
  202   HG13  ILE  32          2HG1      ILE  32   0.379   6.425   1.201
  203   HG21  ILE  32          1HG2      ILE  32   2.935   5.533   3.157
  204   HG22  ILE  32          2HG2      ILE  32   4.198   5.570   1.928
  205   HG23  ILE  32          3HG2      ILE  32   3.152   6.971   2.160
  206   HD11  ILE  32          1HD1      ILE  32  -0.391   3.801   2.115
  207   HD12  ILE  32          2HD1      ILE  32  -1.040   4.776   0.796
  208   HD13  ILE  32          3HD1      ILE  32   0.362   3.742   0.522
  209    H    CYS  33           H        CYS  33   3.539   3.986  -1.247
  210    HA   CYS  33           HA       CYS  33   6.250   4.639  -0.782
  211    HB2  CYS  33           1HB      CYS  33   4.853   2.612  -2.504
  212    HB3  CYS  33           2HB      CYS  33   6.599   2.814  -2.601
  213    H    ALA  34           H        ALA  34   4.221   4.843  -3.690
  214    HA   ALA  34           HA       ALA  34   5.996   5.618  -5.594
  215    HB1  ALA  34           1HB      ALA  34   4.170   6.060  -6.791
  216    HB2  ALA  34           2HB      ALA  34   3.243   5.650  -5.348
  217    HB3  ALA  34           3HB      ALA  34   3.657   7.332  -5.682
  218    H    ILE  35           H        ILE  35   4.876   7.515  -2.879
  219    HA   ILE  35           HA       ILE  35   6.614   9.727  -3.759
  220    HB   ILE  35           HB       ILE  35   5.226  11.232  -2.392
  221   HG12  ILE  35          1HG1      ILE  35   3.338   8.887  -2.113
  222   HG13  ILE  35          2HG1      ILE  35   4.415   9.436  -0.834
  223   HG21  ILE  35          1HG2      ILE  35   4.667  10.209  -4.884
  224   HG22  ILE  35          2HG2      ILE  35   3.123  10.084  -4.043
  225   HG23  ILE  35          3HG2      ILE  35   3.935  11.644  -4.167
  226   HD11  ILE  35          1HD1      ILE  35   3.108  11.734  -1.537
  227   HD12  ILE  35          2HD1      ILE  35   1.858  10.501  -1.714
  228   HD13  ILE  35          3HD1      ILE  35   2.701  10.688  -0.176
  229    H    SER  36           H        SER  36   7.647   7.515  -2.386
  230    HA   SER  36           HA       SER  36   8.067   8.529   0.341
  231    HB2  SER  36           1HB      SER  36   8.181   5.804  -0.884
  232    HB3  SER  36           2HB      SER  36   9.194   6.141   0.520
  233    HG   SER  36           HG       SER  36   6.867   7.103   1.141
  234    H    HIS  37           H        HIS  37  10.086   9.013   1.093
  235    HA   HIS  37           HA       HIS  37  11.995  10.134  -0.418
  236    HB2  HIS  37           1HB      HIS  37  12.579   8.426   2.010
  237    HB3  HIS  37           2HB      HIS  37  13.620   9.690   1.362
  238    HD1  HIS  37           1HD      HIS  37  10.950   9.129   3.749
  239    HD2  HIS  37           2HD      HIS  37  12.371  12.350   1.542
  240    HE1  HIS  37           1HE      HIS  37  10.005  11.177   4.862
  241    H    THR  38           H        THR  38  11.851   6.676   0.355
  242    HA   THR  38           HA       THR  38  14.220   5.925  -0.956
  243    HB   THR  38           HB       THR  38  11.729   4.271  -0.501
  244    HG1  THR  38           1HG      THR  38  13.344   3.512   1.245
  245   HG21  THR  38          1HG2      THR  38  12.899   2.953  -1.971
  246   HG22  THR  38          2HG2      THR  38  13.654   2.461  -0.456
  247   HG23  THR  38          3HG2      THR  38  14.459   3.628  -1.504
  248    H    HIS  39           H        HIS  39  10.848   5.947  -2.083
  249    HA   HIS  39           HA       HIS  39  11.793   5.436  -4.813
  250    HB2  HIS  39           1HB      HIS  39   9.105   5.173  -3.485
  251    HB3  HIS  39           2HB      HIS  39   9.262   5.188  -5.239
  252    HD2  HIS  39           2HD      HIS  39   9.915   2.825  -2.231
  253    HE1  HIS  39           1HE      HIS  39  10.863   0.725  -5.793
  254    HE2  HIS  39           2HE      HIS  39  10.457   0.540  -3.314
  255    H    ARG  40           H        ARG  40  12.392   7.944  -3.867
  256    HA   ARG  40           HA       ARG  40  10.343   9.795  -4.751
  257    HB2  ARG  40           1HB      ARG  40  12.944   9.993  -3.340
  258    HB3  ARG  40           2HB      ARG  40  12.473  11.379  -4.315
  259    HG2  ARG  40           1HG      ARG  40  10.704  10.155  -2.215
  260    HG3  ARG  40           2HG      ARG  40  11.819  11.487  -1.902
  261    HD2  ARG  40           1HD      ARG  40   9.780  11.633  -4.098
  262    HD3  ARG  40           2HD      ARG  40   9.367  12.047  -2.434
  263    HE   ARG  40           HE       ARG  40  11.042  13.560  -4.247
  264   HH11  ARG  40          2HH1      ARG  40  10.022  13.040  -0.960
  265   HH12  ARG  40          1HH1      ARG  40  10.493  14.619  -0.426
  266   HH21  ARG  40          2HH2      ARG  40  11.666  15.642  -3.557
  267   HH22  ARG  40          1HH2      ARG  40  11.427  16.099  -1.904
  268    H    ALA  41           H        ALA  41  10.553  11.237  -6.487
  269    HA   ALA  41           HA       ALA  41  10.911  11.624  -8.718
  270    HB1  ALA  41           1HB      ALA  41  13.821  11.398  -8.471
  271    HB2  ALA  41           2HB      ALA  41  12.823  12.770  -8.955
  272    HB3  ALA  41           3HB      ALA  41  13.059  12.411  -7.244
  273    H    HIS  42           H        HIS  42  10.365   8.940  -8.306
  274    HA   HIS  42           HA       HIS  42  12.272   7.546 -10.058
  275    HB2  HIS  42           1HB      HIS  42  10.463   6.650  -7.866
  276    HB3  HIS  42           2HB      HIS  42  10.760   5.529  -9.191
  277    HD2  HIS  42           2HD      HIS  42  13.820   7.652  -8.231
  278    HE1  HIS  42           1HE      HIS  42  14.309   3.832  -6.450
  279    HE2  HIS  42           2HE      HIS  42  15.377   6.067  -6.907
  280    H    THR  43           H        THR  43  11.097   5.740 -11.373
  281    HA   THR  43           HA       THR  43   8.953   7.080 -12.861
  282    HB   THR  43           HB       THR  43  10.465   4.646 -13.790
  283    HG1  THR  43           1HG      THR  43  11.162   7.353 -14.337
  284   HG21  THR  43          1HG2      THR  43   8.281   5.881 -14.834
  285   HG22  THR  43          2HG2      THR  43   9.460   4.975 -15.783
  286   HG23  THR  43          3HG2      THR  43   9.582   6.731 -15.668
  287    H    VAL  44           H        VAL  44   7.270   6.499 -11.402
  288    HA   VAL  44           HA       VAL  44   6.652   3.640 -11.207
  289    HB   VAL  44           HB       VAL  44   5.408   5.998  -9.785
  290   HG11  VAL  44          1HG1      VAL  44   3.806   4.181 -10.129
  291   HG12  VAL  44          2HG1      VAL  44   4.939   3.042  -9.398
  292   HG13  VAL  44          3HG1      VAL  44   4.242   4.341  -8.428
  293   HG21  VAL  44          1HG2      VAL  44   6.828   3.911  -8.276
  294   HG22  VAL  44          2HG2      VAL  44   7.844   4.922  -9.302
  295   HG23  VAL  44          3HG2      VAL  44   6.826   5.662  -8.067
  296    H    VAL  45           H        VAL  45   4.677   2.788 -11.873
  297    HA   VAL  45           HA       VAL  45   2.942   4.540 -13.468
  298    HB   VAL  45           HB       VAL  45   2.827   3.022 -15.295
  299   HG11  VAL  45          1HG1      VAL  45   5.141   4.369 -14.623
  300   HG12  VAL  45          2HG1      VAL  45   5.713   2.762 -15.078
  301   HG13  VAL  45          3HG1      VAL  45   4.743   3.708 -16.208
  302   HG21  VAL  45          1HG2      VAL  45   2.903   0.951 -13.943
  303   HG22  VAL  45          2HG2      VAL  45   3.946   0.883 -15.364
  304   HG23  VAL  45          3HG2      VAL  45   4.646   1.161 -13.769
  305    HA   PRO  46           HA       PRO  46  -0.307   2.512 -11.296
  306    HB2  PRO  46           1HB      PRO  46  -2.352   3.017 -13.009
  307    HB3  PRO  46           2HB      PRO  46  -1.642   4.257 -11.968
  308    HG2  PRO  46           1HG      PRO  46  -1.138   3.699 -14.866
  309    HG3  PRO  46           2HG      PRO  46  -1.352   5.258 -14.047
  310    HD2  PRO  46           1HD      PRO  46   1.085   4.288 -14.718
  311    HD3  PRO  46           2HD      PRO  46   0.822   5.297 -13.282
  312    H    LEU  47           H        LEU  47  -0.945   0.451 -11.161
  313    HA   LEU  47           HA       LEU  47  -0.637  -1.270 -13.493
  314    HB2  LEU  47           1HB      LEU  47  -1.110  -1.865 -10.579
  315    HB3  LEU  47           2HB      LEU  47  -1.011  -3.103 -11.830
  316    HG   LEU  47           HG       LEU  47   1.225  -1.198 -11.145
  317   HD11  LEU  47          1HD1      LEU  47   2.069  -2.671  -9.651
  318   HD12  LEU  47          2HD1      LEU  47   1.397  -4.073 -10.483
  319   HD13  LEU  47          3HD1      LEU  47   0.364  -3.081  -9.455
  320   HD21  LEU  47          1HD2      LEU  47   1.144  -2.176 -13.458
  321   HD22  LEU  47          2HD2      LEU  47   1.303  -3.767 -12.714
  322   HD23  LEU  47          3HD2      LEU  47   2.587  -2.572 -12.524
  323    H    SER  48           H        SER  48  -2.268  -2.778 -14.130
  324    HA   SER  48           HA       SER  48  -4.910  -1.630 -14.062
  325    HB2  SER  48           1HB      SER  48  -3.730  -2.821 -16.050
  326    HB3  SER  48           2HB      SER  48  -4.261  -4.308 -15.265
  327    HG   SER  48           HG       SER  48  -6.183  -3.947 -16.009
  328    H    GLY  49           H        GLY  49  -6.763  -2.517 -13.177
  329    HA2  GLY  49           1HA      GLY  49  -7.029  -5.034 -12.012
  330    HA3  GLY  49           2HA      GLY  49  -6.447  -3.951 -10.757
  331    HA   PRO  50           HA       PRO  50 -10.984  -3.649 -10.473
  332    HB2  PRO  50           1HB      PRO  50 -10.985  -3.075  -7.819
  333    HB3  PRO  50           2HB      PRO  50 -10.884  -4.725  -8.446
  334    HG2  PRO  50           1HG      PRO  50  -8.696  -2.938  -7.456
  335    HG3  PRO  50           2HG      PRO  50  -8.954  -4.665  -7.149
  336    HD2  PRO  50           1HD      PRO  50  -7.171  -3.760  -8.975
  337    HD3  PRO  50           2HD      PRO  50  -8.052  -5.289  -9.176
  338    H    SER  51           H        SER  51 -12.078  -1.834 -10.884
  339    HA   SER  51           HA       SER  51 -10.842   0.688 -10.991
  340    HB2  SER  51           1HB      SER  51 -13.753  -0.122 -11.076
  341    HB3  SER  51           2HB      SER  51 -13.208   1.537 -11.323
  342    HG   SER  51           HG       SER  51 -13.466  -0.124 -13.191
  343    H    SER  52           H        SER  52 -11.758   2.666  -9.884
  344    HA   SER  52           HA       SER  52 -12.001   2.099  -7.008
  345    HB2  SER  52           1HB      SER  52 -10.046   3.495  -7.954
  346    HB3  SER  52           2HB      SER  52 -11.243   4.770  -8.176
  347    HG   SER  52           HG       SER  52 -11.044   5.183  -6.137
  348    H    GLY  53           H        GLY  53 -14.129   2.017  -6.545
  349    HA2  GLY  53           1HA      GLY  53 -16.233   3.261  -7.798
  350    HA3  GLY  53           2HA      GLY  53 -16.231   2.835  -6.093
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -11.518 -26.117  -4.950
    2    HA2  GLY   1           1HA      GLY   1 -10.373 -24.154  -5.835
    3    HA3  GLY   1           2HA      GLY   1 -12.098 -23.973  -6.114
    4    H    SER   2           H        SER   2  -9.429 -23.069  -4.007
    5    HA   SER   2           HA       SER   2 -10.682 -21.414  -2.206
    6    HB2  SER   2           1HB      SER   2  -7.966 -21.403  -3.455
    7    HB3  SER   2           2HB      SER   2  -8.447 -20.022  -2.469
    8    HG   SER   2           HG       SER   2  -7.568 -21.414  -1.046
    9    H    SER   3           H        SER   3 -10.745 -19.032  -2.122
   10    HA   SER   3           HA       SER   3 -12.152 -17.993  -4.367
   11    HB2  SER   3           1HB      SER   3 -12.759 -17.264  -2.141
   12    HB3  SER   3           2HB      SER   3 -11.130 -16.650  -1.854
   13    HG   SER   3           HG       SER   3 -13.058 -15.666  -3.685
   14    H    GLY   4           H        GLY   4 -11.601 -16.023  -5.535
   15    HA2  GLY   4           1HA      GLY   4  -8.681 -15.705  -5.861
   16    HA3  GLY   4           2HA      GLY   4  -9.783 -15.748  -7.230
   17    H    SER   5           H        SER   5  -7.907 -13.658  -6.471
   18    HA   SER   5           HA       SER   5  -7.808 -11.409  -5.954
   19    HB2  SER   5           1HB      SER   5 -10.085 -11.649  -7.927
   20    HB3  SER   5           2HB      SER   5  -9.367 -10.106  -7.465
   21    HG   SER   5           HG       SER   5  -8.256 -12.224  -8.934
   22    H    SER   6           H        SER   6  -9.163 -12.733  -3.910
   23    HA   SER   6           HA       SER   6 -11.641 -11.410  -3.326
   24    HB2  SER   6           1HB      SER   6 -11.473 -12.554  -1.143
   25    HB3  SER   6           2HB      SER   6 -11.210 -13.669  -2.483
   26    HG   SER   6           HG       SER   6  -9.170 -12.424  -0.948
   27    H    GLY   7           H        GLY   7  -8.290 -11.119  -2.206
   28    HA2  GLY   7           1HA      GLY   7  -9.053  -8.591  -0.878
   29    HA3  GLY   7           2HA      GLY   7  -7.755  -9.635  -0.318
   30    H    GLU   8           H        GLU   8  -8.707  -7.209  -2.610
   31    HA   GLU   8           HA       GLU   8  -6.843  -7.097  -4.519
   32    HB2  GLU   8           1HB      GLU   8  -8.407  -5.309  -4.339
   33    HB3  GLU   8           2HB      GLU   8  -7.790  -4.838  -2.762
   34    HG2  GLU   8           1HG      GLU   8  -5.937  -3.801  -3.641
   35    HG3  GLU   8           2HG      GLU   8  -5.977  -4.752  -5.124
   36    H    SER   9           H        SER   9  -4.719  -7.330  -4.611
   37    HA   SER   9           HA       SER   9  -2.944  -7.760  -2.660
   38    HB2  SER   9           1HB      SER   9  -2.476  -6.211  -5.213
   39    HB3  SER   9           2HB      SER   9  -1.169  -6.757  -4.162
   40    HG   SER   9           HG       SER   9  -1.822  -8.882  -4.523
   41    H    LEU  10           H        LEU  10  -1.502  -6.596  -1.367
   42    HA   LEU  10           HA       LEU  10  -1.901  -3.701  -1.180
   43    HB2  LEU  10           1HB      LEU  10  -1.922  -5.498   1.235
   44    HB3  LEU  10           2HB      LEU  10  -2.193  -3.757   1.193
   45    HG   LEU  10           HG       LEU  10  -4.043  -5.787  -0.052
   46   HD11  LEU  10          1HD1      LEU  10  -4.362  -4.330   2.566
   47   HD12  LEU  10          2HD1      LEU  10  -3.887  -6.021   2.411
   48   HD13  LEU  10          3HD1      LEU  10  -5.475  -5.497   1.852
   49   HD21  LEU  10          1HD2      LEU  10  -4.836  -3.967  -1.069
   50   HD22  LEU  10          2HD2      LEU  10  -3.874  -2.883  -0.064
   51   HD23  LEU  10          3HD2      LEU  10  -5.431  -3.476   0.516
   52    H    CYS  11           H        CYS  11  -0.162  -2.556  -0.272
   53    HA   CYS  11           HA       CYS  11   2.387  -3.516  -0.847
   54    HB2  CYS  11           1HB      CYS  11   1.541  -1.087  -0.458
   55    HB3  CYS  11           2HB      CYS  11   1.940  -1.392   1.230
   56    HA   PRO  12           HA       PRO  12   3.251  -6.153   2.594
   57    HB2  PRO  12           1HB      PRO  12   5.930  -6.371   2.208
   58    HB3  PRO  12           2HB      PRO  12   4.743  -7.208   1.201
   59    HG2  PRO  12           1HG      PRO  12   6.234  -4.670   0.658
   60    HG3  PRO  12           2HG      PRO  12   5.900  -6.027  -0.434
   61    HD2  PRO  12           1HD      PRO  12   4.465  -3.731  -0.482
   62    HD3  PRO  12           2HD      PRO  12   3.754  -5.310  -0.872
   63    H    GLN  13           H        GLN  13   3.952  -2.937   2.400
   64    HA   GLN  13           HA       GLN  13   5.233  -2.945   5.051
   65    HB2  GLN  13           1HB      GLN  13   6.843  -2.203   3.379
   66    HB3  GLN  13           2HB      GLN  13   5.704  -1.003   2.784
   67    HG2  GLN  13           1HG      GLN  13   7.101   0.258   4.104
   68    HG3  GLN  13           2HG      GLN  13   5.768  -0.094   5.202
   69   HE21  GLN  13          1HE2      GLN  13   8.954  -1.270   4.217
   70   HE22  GLN  13          2HE2      GLN  13   9.417  -1.850   5.776
   71    H    HIS  14           H        HIS  14   3.148  -1.167   2.806
   72    HA   HIS  14           HA       HIS  14   2.053   0.367   5.051
   73    HB2  HIS  14           1HB      HIS  14   1.578   0.715   2.084
   74    HB3  HIS  14           2HB      HIS  14   1.035   1.801   3.359
   75    HD2  HIS  14           2HD      HIS  14   3.073   3.401   4.507
   76    HE1  HIS  14           1HE      HIS  14   5.960   2.468   1.542
   77    HE2  HIS  14           2HE      HIS  14   5.412   3.913   3.531
   78    H    HIS  15           H        HIS  15   1.310  -2.209   2.891
   79    HA   HIS  15           HA       HIS  15  -0.481  -3.598   2.695
   80    HB2  HIS  15           1HB      HIS  15  -1.022  -2.370   5.389
   81    HB3  HIS  15           2HB      HIS  15  -2.135  -3.534   4.676
   82    HD1  HIS  15           1HD      HIS  15  -1.759  -5.691   5.815
   83    HD2  HIS  15           2HD      HIS  15   1.814  -3.732   5.005
   84    HE1  HIS  15           1HE      HIS  15   0.054  -7.263   6.565
   85    H    GLU  16           H        GLU  16  -0.545  -0.884   1.577
   86    HA   GLU  16           HA       GLU  16  -3.412  -0.275   1.649
   87    HB2  GLU  16           1HB      GLU  16  -0.963   1.278   0.971
   88    HB3  GLU  16           2HB      GLU  16  -2.457   1.708   0.150
   89    HG2  GLU  16           1HG      GLU  16  -2.017   3.041   2.182
   90    HG3  GLU  16           2HG      GLU  16  -3.547   2.166   2.227
   91    H    ALA  17           H        ALA  17  -4.417   0.349  -0.458
   92    HA   ALA  17           HA       ALA  17  -4.464  -1.741  -2.248
   93    HB1  ALA  17           1HB      ALA  17  -5.969   0.431  -1.943
   94    HB2  ALA  17           2HB      ALA  17  -5.038   0.949  -3.348
   95    HB3  ALA  17           3HB      ALA  17  -5.990  -0.534  -3.419
   96    H    LEU  18           H        LEU  18  -3.080  -2.473  -3.713
   97    HA   LEU  18           HA       LEU  18  -0.784  -0.866  -4.463
   98    HB2  LEU  18           1HB      LEU  18  -1.562  -3.721  -5.005
   99    HB3  LEU  18           2HB      LEU  18  -0.114  -2.974  -5.678
  100    HG   LEU  18           HG       LEU  18  -0.648  -3.219  -2.721
  101   HD11  LEU  18          1HD1      LEU  18  -0.186  -5.382  -2.906
  102   HD12  LEU  18          2HD1      LEU  18   1.433  -4.925  -3.434
  103   HD13  LEU  18          3HD1      LEU  18   0.169  -5.223  -4.627
  104   HD21  LEU  18          1HD2      LEU  18   1.984  -2.819  -4.106
  105   HD22  LEU  18          2HD2      LEU  18   1.569  -2.540  -2.415
  106   HD23  LEU  18          3HD2      LEU  18   0.953  -1.458  -3.664
  107    H    SER  19           H        SER  19  -1.359   0.662  -5.927
  108    HA   SER  19           HA       SER  19  -2.490  -0.311  -8.466
  109    HB2  SER  19           1HB      SER  19  -3.122   2.251  -6.992
  110    HB3  SER  19           2HB      SER  19  -3.535   1.988  -8.686
  111    HG   SER  19           HG       SER  19  -4.930   1.272  -6.591
  112    H    LEU  20           H        LEU  20   0.298   0.169  -7.509
  113    HA   LEU  20           HA       LEU  20   1.160   1.724  -9.809
  114    HB2  LEU  20           1HB      LEU  20   2.080   2.375  -7.013
  115    HB3  LEU  20           2HB      LEU  20   2.698   3.095  -8.499
  116    HG   LEU  20           HG       LEU  20  -0.185   3.359  -7.693
  117   HD11  LEU  20          1HD1      LEU  20   0.435   5.574  -6.769
  118   HD12  LEU  20          2HD1      LEU  20   2.132   5.116  -6.904
  119   HD13  LEU  20          3HD1      LEU  20   1.060   4.219  -5.829
  120   HD21  LEU  20          1HD2      LEU  20   1.535   5.195  -9.340
  121   HD22  LEU  20          2HD2      LEU  20  -0.224   5.159  -9.217
  122   HD23  LEU  20          3HD2      LEU  20   0.630   3.853 -10.041
  123    H    PHE  21           H        PHE  21   3.369   1.365 -10.384
  124    HA   PHE  21           HA       PHE  21   4.785  -0.737  -8.936
  125    HB2  PHE  21           1HB      PHE  21   3.668  -2.127 -10.457
  126    HB3  PHE  21           2HB      PHE  21   3.786  -0.951 -11.761
  127    HD1  PHE  21           2HD      PHE  21   6.015  -0.546 -12.834
  128    HD2  PHE  21           1HD      PHE  21   5.315  -3.768 -10.142
  129    HE1  PHE  21           2HE      PHE  21   8.026  -1.684 -13.678
  130    HE2  PHE  21           1HE      PHE  21   7.326  -4.911 -10.981
  131    HZ   PHE  21           HZ       PHE  21   8.684  -3.869 -12.753
  132    H    CYS  22           H        CYS  22   6.962  -0.534  -9.007
  133    HA   CYS  22           HA       CYS  22   8.015   1.763 -10.490
  134    HB2  CYS  22           1HB      CYS  22   8.403   1.696  -8.053
  135    HB3  CYS  22           2HB      CYS  22   9.265   0.172  -8.240
  136    H    TYR  23           H        TYR  23   9.633   1.599 -11.973
  137    HA   TYR  23           HA       TYR  23  10.099  -1.021 -13.097
  138    HB2  TYR  23           1HB      TYR  23  10.579   1.789 -13.938
  139    HB3  TYR  23           2HB      TYR  23  11.634   0.558 -14.623
  140    HD1  TYR  23           1HD      TYR  23   7.978   0.653 -13.832
  141    HD2  TYR  23           2HD      TYR  23  10.990   0.058 -16.778
  142    HE1  TYR  23           1HE      TYR  23   6.243   0.096 -15.484
  143    HE2  TYR  23           2HE      TYR  23   9.263  -0.500 -18.439
  144    HH   TYR  23           HH       TYR  23   7.072  -1.064 -18.698
  145    H    GLU  24           H        GLU  24  12.252   1.638 -12.075
  146    HA   GLU  24           HA       GLU  24  14.672   0.412 -12.209
  147    HB2  GLU  24           1HB      GLU  24  14.018   2.784 -11.364
  148    HB3  GLU  24           2HB      GLU  24  14.001   2.033  -9.774
  149    HG2  GLU  24           1HG      GLU  24  16.131   3.136 -10.281
  150    HG3  GLU  24           2HG      GLU  24  16.315   1.408  -9.991
  151    H    ASP  25           H        ASP  25  12.328   0.118  -9.570
  152    HA   ASP  25           HA       ASP  25  14.019  -1.812  -8.197
  153    HB2  ASP  25           1HB      ASP  25  11.286  -0.724  -7.486
  154    HB3  ASP  25           2HB      ASP  25  12.257  -1.781  -6.465
  155    H    GLN  26           H        GLN  26  11.614  -1.819 -10.560
  156    HA   GLN  26           HA       GLN  26  10.291  -3.426 -11.492
  157    HB2  GLN  26           1HB      GLN  26  12.789  -4.805 -10.664
  158    HB3  GLN  26           2HB      GLN  26  11.440  -5.821 -11.155
  159    HG2  GLN  26           1HG      GLN  26  12.500  -3.569 -12.838
  160    HG3  GLN  26           2HG      GLN  26  13.084  -5.228 -12.956
  161   HE21  GLN  26          1HE2      GLN  26  11.123  -3.092 -14.374
  162   HE22  GLN  26          2HE2      GLN  26   9.941  -4.150 -15.056
  163    H    GLU  27           H        GLU  27   9.471  -2.673  -8.925
  164    HA   GLU  27           HA       GLU  27   8.171  -5.155  -8.060
  165    HB2  GLU  27           1HB      GLU  27   9.738  -3.248  -6.358
  166    HB3  GLU  27           2HB      GLU  27   8.386  -4.132  -5.665
  167    HG2  GLU  27           1HG      GLU  27  10.625  -5.508  -7.109
  168    HG3  GLU  27           2HG      GLU  27  10.693  -5.140  -5.387
  169    H    ALA  28           H        ALA  28   6.227  -4.749  -6.729
  170    HA   ALA  28           HA       ALA  28   4.724  -2.536  -7.850
  171    HB1  ALA  28           1HB      ALA  28   3.896  -4.950  -7.616
  172    HB2  ALA  28           2HB      ALA  28   3.643  -4.556  -5.915
  173    HB3  ALA  28           3HB      ALA  28   2.790  -3.652  -7.165
  174    H    VAL  29           H        VAL  29   3.995  -0.780  -6.770
  175    HA   VAL  29           HA       VAL  29   4.543  -0.618  -3.881
  176    HB   VAL  29           HB       VAL  29   5.221   1.704  -4.115
  177   HG11  VAL  29          1HG1      VAL  29   6.929  -0.061  -4.262
  178   HG12  VAL  29          2HG1      VAL  29   6.763  -0.057  -6.019
  179   HG13  VAL  29          3HG1      VAL  29   7.371   1.374  -5.185
  180   HG21  VAL  29          1HG2      VAL  29   4.254   2.723  -5.890
  181   HG22  VAL  29          2HG2      VAL  29   5.765   2.276  -6.681
  182   HG23  VAL  29          3HG2      VAL  29   4.327   1.278  -6.899
  183    H    CYS  30           H        CYS  30   3.380   1.352  -2.911
  184    HA   CYS  30           HA       CYS  30   0.637   1.387  -3.978
  185    HB2  CYS  30           1HB      CYS  30  -0.090   1.897  -1.694
  186    HB3  CYS  30           2HB      CYS  30   0.851   0.410  -1.735
  187    H    LEU  31           H        LEU  31  -0.559   3.463  -3.069
  188    HA   LEU  31           HA       LEU  31   0.434   5.655  -4.482
  189    HB2  LEU  31           1HB      LEU  31  -1.353   6.911  -3.549
  190    HB3  LEU  31           2HB      LEU  31  -1.937   5.270  -3.819
  191    HG   LEU  31           HG       LEU  31  -0.942   6.045  -1.111
  192   HD11  LEU  31          1HD1      LEU  31  -2.902   7.091  -0.477
  193   HD12  LEU  31          2HD1      LEU  31  -3.807   6.464  -1.854
  194   HD13  LEU  31          3HD1      LEU  31  -2.629   7.755  -2.088
  195   HD21  LEU  31          1HD2      LEU  31  -2.811   4.452  -0.504
  196   HD22  LEU  31          2HD2      LEU  31  -1.437   3.750  -1.358
  197   HD23  LEU  31          3HD2      LEU  31  -2.936   4.088  -2.225
  198    H    ILE  32           H        ILE  32   0.765   4.759  -1.098
  199    HA   ILE  32           HA       ILE  32   1.878   7.202  -0.200
  200    HB   ILE  32           HB       ILE  32   2.101   4.406   0.911
  201   HG12  ILE  32          1HG1      ILE  32   0.648   5.811   2.697
  202   HG13  ILE  32          2HG1      ILE  32   0.216   6.673   1.224
  203   HG21  ILE  32          1HG2      ILE  32   3.643   5.100   2.346
  204   HG22  ILE  32          2HG2      ILE  32   3.691   6.660   1.525
  205   HG23  ILE  32          3HG2      ILE  32   2.586   6.408   2.877
  206   HD11  ILE  32          1HD1      ILE  32  -0.555   4.609   0.219
  207   HD12  ILE  32          2HD1      ILE  32  -0.070   3.710   1.658
  208   HD13  ILE  32          3HD1      ILE  32  -1.371   4.898   1.755
  209    H    CYS  33           H        CYS  33   3.367   4.137  -1.218
  210    HA   CYS  33           HA       CYS  33   6.022   4.739  -0.775
  211    HB2  CYS  33           1HB      CYS  33   4.586   2.980  -2.707
  212    HB3  CYS  33           2HB      CYS  33   6.302   3.268  -2.975
  213    H    ALA  34           H        ALA  34   4.228   5.235  -3.818
  214    HA   ALA  34           HA       ALA  34   6.132   6.407  -5.368
  215    HB1  ALA  34           1HB      ALA  34   4.033   6.035  -6.346
  216    HB2  ALA  34           2HB      ALA  34   3.200   7.012  -5.135
  217    HB3  ALA  34           3HB      ALA  34   4.225   7.789  -6.342
  218    H    ILE  35           H        ILE  35   3.826   8.363  -3.470
  219    HA   ILE  35           HA       ILE  35   5.260  10.761  -3.722
  220    HB   ILE  35           HB       ILE  35   3.871  11.620  -1.903
  221   HG12  ILE  35          1HG1      ILE  35   2.739   8.835  -1.625
  222   HG13  ILE  35          2HG1      ILE  35   4.000   9.459  -0.567
  223   HG21  ILE  35          1HG2      ILE  35   2.702  10.066  -4.143
  224   HG22  ILE  35          2HG2      ILE  35   1.600  10.700  -2.922
  225   HG23  ILE  35          3HG2      ILE  35   2.651  11.798  -3.816
  226   HD11  ILE  35          1HD1      ILE  35   2.580  11.015   0.405
  227   HD12  ILE  35          2HD1      ILE  35   1.420  10.928  -0.921
  228   HD13  ILE  35          3HD1      ILE  35   1.565   9.586   0.213
  229    H    SER  36           H        SER  36   5.610   8.084  -1.545
  230    HA   SER  36           HA       SER  36   7.056   9.411   0.499
  231    HB2  SER  36           1HB      SER  36   5.989   7.220   0.847
  232    HB3  SER  36           2HB      SER  36   7.111   6.490  -0.301
  233    HG   SER  36           HG       SER  36   8.768   7.455   1.222
  234    H    HIS  37           H        HIS  37   9.174   9.869   0.720
  235    HA   HIS  37           HA       HIS  37  10.871  10.427  -1.261
  236    HB2  HIS  37           1HB      HIS  37  11.344  10.823   1.140
  237    HB3  HIS  37           2HB      HIS  37  11.760   9.121   1.319
  238    HD1  HIS  37           1HD      HIS  37  13.723   8.448  -0.664
  239    HD2  HIS  37           2HD      HIS  37  13.579  12.299   0.890
  240    HE1  HIS  37           1HE      HIS  37  15.997   9.433  -1.095
  241    H    THR  38           H        THR  38  10.260   7.207  -0.021
  242    HA   THR  38           HA       THR  38  12.309   5.714  -1.009
  243    HB   THR  38           HB       THR  38   9.405   4.916  -1.266
  244    HG1  THR  38           1HG      THR  38  10.099   3.901   0.892
  245   HG21  THR  38          1HG2      THR  38  10.097   2.751  -1.490
  246   HG22  THR  38          2HG2      THR  38  11.579   3.014  -0.572
  247   HG23  THR  38          3HG2      THR  38  11.471   3.557  -2.246
  248    H    HIS  39           H        HIS  39   9.292   6.207  -2.854
  249    HA   HIS  39           HA       HIS  39  10.904   6.095  -5.319
  250    HB2  HIS  39           1HB      HIS  39   8.036   5.186  -5.031
  251    HB3  HIS  39           2HB      HIS  39   9.075   4.995  -6.440
  252    HD2  HIS  39           2HD      HIS  39   8.451   3.332  -2.974
  253    HE1  HIS  39           1HE      HIS  39  11.254   0.971  -5.111
  254    HE2  HIS  39           2HE      HIS  39   9.734   1.090  -3.107
  255    H    ARG  40           H        ARG  40  10.762   8.519  -4.364
  256    HA   ARG  40           HA       ARG  40   8.387   9.942  -5.120
  257    HB2  ARG  40           1HB      ARG  40  10.270  10.514  -3.344
  258    HB3  ARG  40           2HB      ARG  40  10.993  11.338  -4.720
  259    HG2  ARG  40           1HG      ARG  40   8.137  11.846  -4.017
  260    HG3  ARG  40           2HG      ARG  40   9.429  12.634  -3.108
  261    HD2  ARG  40           1HD      ARG  40   9.219  12.722  -6.110
  262    HD3  ARG  40           2HD      ARG  40   8.510  13.942  -5.054
  263    HE   ARG  40           HE       ARG  40  11.125  13.801  -4.283
  264   HH11  ARG  40          2HH1      ARG  40   9.467  14.391  -7.286
  265   HH12  ARG  40          1HH1      ARG  40  10.711  15.415  -7.923
  266   HH21  ARG  40          2HH2      ARG  40  12.770  15.148  -5.109
  267   HH22  ARG  40          1HH2      ARG  40  12.590  15.844  -6.684
  268    H    ALA  41           H        ALA  41  11.751  10.125  -6.302
  269    HA   ALA  41           HA       ALA  41  10.741  11.161  -8.851
  270    HB1  ALA  41           1HB      ALA  41  12.798  12.146  -9.202
  271    HB2  ALA  41           2HB      ALA  41  12.643  12.244  -7.448
  272    HB3  ALA  41           3HB      ALA  41  13.646  10.989  -8.176
  273    H    HIS  42           H        HIS  42  10.280   8.447  -8.375
  274    HA   HIS  42           HA       HIS  42  12.250   7.115 -10.110
  275    HB2  HIS  42           1HB      HIS  42  10.506   6.152  -7.886
  276    HB3  HIS  42           2HB      HIS  42  10.909   5.027  -9.179
  277    HD2  HIS  42           2HD      HIS  42  13.743   7.445  -8.169
  278    HE1  HIS  42           1HE      HIS  42  14.575   3.672  -6.417
  279    HE2  HIS  42           2HE      HIS  42  15.424   6.007  -6.829
  280    H    THR  43           H        THR  43  11.386   5.507 -11.635
  281    HA   THR  43           HA       THR  43   9.188   6.625 -13.118
  282    HB   THR  43           HB       THR  43  10.782   4.113 -13.662
  283    HG1  THR  43           1HG      THR  43  11.077   6.602 -14.979
  284   HG21  THR  43          1HG2      THR  43   8.435   5.187 -14.891
  285   HG22  THR  43          2HG2      THR  43   9.351   3.744 -15.329
  286   HG23  THR  43          3HG2      THR  43   9.783   5.307 -16.022
  287    H    VAL  44           H        VAL  44   7.438   6.302 -11.659
  288    HA   VAL  44           HA       VAL  44   6.632   3.517 -11.209
  289    HB   VAL  44           HB       VAL  44   5.528   6.066 -10.019
  290   HG11  VAL  44          1HG1      VAL  44   4.908   3.213  -9.271
  291   HG12  VAL  44          2HG1      VAL  44   4.192   4.675  -8.590
  292   HG13  VAL  44          3HG1      VAL  44   3.867   4.231 -10.266
  293   HG21  VAL  44          1HG2      VAL  44   6.558   5.207  -7.929
  294   HG22  VAL  44          2HG2      VAL  44   7.322   3.928  -8.874
  295   HG23  VAL  44          3HG2      VAL  44   7.737   5.615  -9.176
  296    H    VAL  45           H        VAL  45   4.806   2.656 -12.064
  297    HA   VAL  45           HA       VAL  45   3.151   4.403 -13.767
  298    HB   VAL  45           HB       VAL  45   2.877   2.536 -15.346
  299   HG11  VAL  45          1HG1      VAL  45   4.651   3.217 -16.533
  300   HG12  VAL  45          2HG1      VAL  45   4.989   4.257 -15.148
  301   HG13  VAL  45          3HG1      VAL  45   5.797   2.696 -15.298
  302   HG21  VAL  45          1HG2      VAL  45   3.559   0.861 -13.438
  303   HG22  VAL  45          2HG2      VAL  45   3.873   0.480 -15.131
  304   HG23  VAL  45          3HG2      VAL  45   5.173   1.094 -14.111
  305    HA   PRO  46           HA       PRO  46  -0.286   2.821 -11.516
  306    HB2  PRO  46           1HB      PRO  46  -2.247   3.297 -13.332
  307    HB3  PRO  46           2HB      PRO  46  -1.477   4.580 -12.392
  308    HG2  PRO  46           1HG      PRO  46  -0.942   3.712 -15.207
  309    HG3  PRO  46           2HG      PRO  46  -1.065   5.353 -14.547
  310    HD2  PRO  46           1HD      PRO  46   1.313   4.158 -15.045
  311    HD3  PRO  46           2HD      PRO  46   1.086   5.317 -13.720
  312    H    LEU  47           H        LEU  47  -0.869   0.776 -11.187
  313    HA   LEU  47           HA       LEU  47  -0.749  -1.133 -13.380
  314    HB2  LEU  47           1HB      LEU  47  -1.047  -1.416 -10.403
  315    HB3  LEU  47           2HB      LEU  47  -1.204  -2.784 -11.503
  316    HG   LEU  47           HG       LEU  47   1.266  -1.088 -11.140
  317   HD11  LEU  47          1HD1      LEU  47   0.249  -3.202  -9.580
  318   HD12  LEU  47          2HD1      LEU  47   1.838  -2.442  -9.483
  319   HD13  LEU  47          3HD1      LEU  47   1.597  -3.853 -10.513
  320   HD21  LEU  47          1HD2      LEU  47   0.682  -3.476 -12.878
  321   HD22  LEU  47          2HD2      LEU  47   2.312  -2.924 -12.495
  322   HD23  LEU  47          3HD2      LEU  47   1.210  -1.872 -13.384
  323    H    SER  48           H        SER  48  -2.633  -0.334 -14.492
  324    HA   SER  48           HA       SER  48  -5.208  -0.463 -13.227
  325    HB2  SER  48           1HB      SER  48  -4.358  -0.082 -16.103
  326    HB3  SER  48           2HB      SER  48  -6.045  -0.092 -15.587
  327    HG   SER  48           HG       SER  48  -4.173   1.609 -14.348
  328    H    GLY  49           H        GLY  49  -3.884  -2.224 -16.040
  329    HA2  GLY  49           1HA      GLY  49  -4.146  -4.409 -16.705
  330    HA3  GLY  49           2HA      GLY  49  -4.600  -4.782 -15.049
  331    HA   PRO  50           HA       PRO  50  -8.382  -5.666 -17.407
  332    HB2  PRO  50           1HB      PRO  50  -9.325  -7.471 -15.612
  333    HB3  PRO  50           2HB      PRO  50  -8.136  -7.882 -16.853
  334    HG2  PRO  50           1HG      PRO  50  -7.711  -7.247 -13.959
  335    HG3  PRO  50           2HG      PRO  50  -6.968  -8.519 -14.946
  336    HD2  PRO  50           1HD      PRO  50  -5.696  -6.202 -14.358
  337    HD3  PRO  50           2HD      PRO  50  -5.438  -7.073 -15.884
  338    H    SER  51           H        SER  51  -7.744  -4.230 -14.410
  339    HA   SER  51           HA       SER  51 -10.160  -4.024 -13.124
  340    HB2  SER  51           1HB      SER  51  -8.123  -3.076 -12.188
  341    HB3  SER  51           2HB      SER  51  -8.058  -1.872 -13.475
  342    HG   SER  51           HG       SER  51 -10.390  -2.003 -11.956
  343    H    SER  52           H        SER  52  -8.981  -2.031 -15.813
  344    HA   SER  52           HA       SER  52 -11.661  -1.574 -16.737
  345    HB2  SER  52           1HB      SER  52 -11.079   0.157 -14.830
  346    HB3  SER  52           2HB      SER  52 -10.188   0.958 -16.124
  347    HG   SER  52           HG       SER  52 -12.801   0.137 -16.655
  348    H    GLY  53           H        GLY  53 -11.721  -1.021 -18.879
  349    HA2  GLY  53           1HA      GLY  53  -9.118  -0.970 -20.234
  350    HA3  GLY  53           2HA      GLY  53 -10.658  -1.374 -20.977
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -0.367 -17.220  12.702
    2    HA2  GLY   1           1HA      GLY   1  -0.078 -16.898  10.448
    3    HA3  GLY   1           2HA      GLY   1   1.187 -18.113  10.549
    4    H    SER   2           H        SER   2   0.879 -19.563   8.999
    5    HA   SER   2           HA       SER   2  -0.110 -21.070   7.610
    6    HB2  SER   2           1HB      SER   2  -1.970 -21.245   9.985
    7    HB3  SER   2           2HB      SER   2  -2.099 -22.309   8.585
    8    HG   SER   2           HG       SER   2   0.346 -22.542   9.139
    9    H    SER   3           H        SER   3  -0.684 -18.413   7.051
   10    HA   SER   3           HA       SER   3  -3.448 -18.599   6.043
   11    HB2  SER   3           1HB      SER   3  -3.385 -16.877   7.736
   12    HB3  SER   3           2HB      SER   3  -1.955 -16.149   7.005
   13    HG   SER   3           HG       SER   3  -3.314 -15.006   5.897
   14    H    GLY   4           H        GLY   4  -3.767 -18.238   3.912
   15    HA2  GLY   4           1HA      GLY   4  -1.855 -16.826   2.292
   16    HA3  GLY   4           2HA      GLY   4  -1.824 -18.564   2.030
   17    H    SER   5           H        SER   5  -4.216 -15.932   2.299
   18    HA   SER   5           HA       SER   5  -5.690 -17.194   0.082
   19    HB2  SER   5           1HB      SER   5  -6.619 -15.635   2.478
   20    HB3  SER   5           2HB      SER   5  -7.619 -15.727   1.029
   21    HG   SER   5           HG       SER   5  -6.804 -18.176   1.560
   22    H    SER   6           H        SER   6  -6.681 -15.801  -1.480
   23    HA   SER   6           HA       SER   6  -5.243 -13.249  -1.789
   24    HB2  SER   6           1HB      SER   6  -5.459 -13.509  -4.180
   25    HB3  SER   6           2HB      SER   6  -4.798 -15.005  -3.521
   26    HG   SER   6           HG       SER   6  -7.501 -15.065  -3.559
   27    H    GLY   7           H        GLY   7  -6.462 -11.595  -3.104
   28    HA2  GLY   7           1HA      GLY   7  -9.111 -11.455  -3.629
   29    HA3  GLY   7           2HA      GLY   7  -9.058 -11.222  -1.888
   30    H    GLU   8           H        GLU   8  -6.705  -9.735  -1.673
   31    HA   GLU   8           HA       GLU   8  -7.045  -7.404  -3.387
   32    HB2  GLU   8           1HB      GLU   8  -7.560  -7.431  -0.426
   33    HB3  GLU   8           2HB      GLU   8  -7.017  -5.967  -1.234
   34    HG2  GLU   8           1HG      GLU   8  -9.017  -6.467  -2.839
   35    HG3  GLU   8           2HG      GLU   8  -9.605  -7.416  -1.475
   36    H    SER   9           H        SER   9  -5.235  -6.089  -3.512
   37    HA   SER   9           HA       SER   9  -2.791  -7.290  -2.443
   38    HB2  SER   9           1HB      SER   9  -1.657  -5.744  -4.079
   39    HB3  SER   9           2HB      SER   9  -2.733  -6.930  -4.817
   40    HG   SER   9           HG       SER   9  -3.384  -5.114  -5.757
   41    H    LEU  10           H        LEU  10  -1.545  -6.337  -0.947
   42    HA   LEU  10           HA       LEU  10  -1.906  -3.503  -0.347
   43    HB2  LEU  10           1HB      LEU  10  -2.143  -5.693   1.710
   44    HB3  LEU  10           2HB      LEU  10  -2.056  -3.970   2.069
   45    HG   LEU  10           HG       LEU  10  -4.269  -5.237   0.461
   46   HD11  LEU  10          1HD1      LEU  10  -3.962  -4.797   3.402
   47   HD12  LEU  10          2HD1      LEU  10  -4.600  -6.196   2.538
   48   HD13  LEU  10          3HD1      LEU  10  -5.554  -4.717   2.647
   49   HD21  LEU  10          1HD2      LEU  10  -3.599  -2.499   1.353
   50   HD22  LEU  10          2HD2      LEU  10  -5.290  -2.983   1.485
   51   HD23  LEU  10          3HD2      LEU  10  -4.472  -3.048  -0.078
   52    H    CYS  11           H        CYS  11  -0.038  -2.508   0.116
   53    HA   CYS  11           HA       CYS  11   2.428  -3.717  -0.278
   54    HB2  CYS  11           1HB      CYS  11   1.745  -1.197  -0.197
   55    HB3  CYS  11           2HB      CYS  11   2.166  -1.320   1.508
   56    HA   PRO  12           HA       PRO  12   3.081  -5.944   3.486
   57    HB2  PRO  12           1HB      PRO  12   5.725  -6.450   3.134
   58    HB3  PRO  12           2HB      PRO  12   4.457  -7.306   2.249
   59    HG2  PRO  12           1HG      PRO  12   6.161  -5.007   1.369
   60    HG3  PRO  12           2HG      PRO  12   5.696  -6.463   0.470
   61    HD2  PRO  12           1HD      PRO  12   4.469  -4.076   0.112
   62    HD3  PRO  12           2HD      PRO  12   3.616  -5.624  -0.061
   63    H    GLN  13           H        GLN  13   4.100  -2.864   2.838
   64    HA   GLN  13           HA       GLN  13   5.419  -2.632   5.462
   65    HB2  GLN  13           1HB      GLN  13   6.073  -1.357   2.835
   66    HB3  GLN  13           2HB      GLN  13   6.434  -0.494   4.324
   67    HG2  GLN  13           1HG      GLN  13   7.566  -3.077   3.327
   68    HG3  GLN  13           2HG      GLN  13   8.408  -1.606   3.809
   69   HE21  GLN  13          1HE2      GLN  13   7.781  -0.989   6.193
   70   HE22  GLN  13          2HE2      GLN  13   7.967  -2.280   7.327
   71    H    HIS  14           H        HIS  14   3.303  -1.106   3.088
   72    HA   HIS  14           HA       HIS  14   2.393   0.780   5.152
   73    HB2  HIS  14           1HB      HIS  14   1.829   0.913   2.188
   74    HB3  HIS  14           2HB      HIS  14   1.571   2.179   3.384
   75    HD2  HIS  14           2HD      HIS  14   3.980   3.429   4.309
   76    HE1  HIS  14           1HE      HIS  14   6.315   1.973   1.080
   77    HE2  HIS  14           2HE      HIS  14   6.243   3.528   3.060
   78    H    HIS  15           H        HIS  15   1.438  -1.888   3.171
   79    HA   HIS  15           HA       HIS  15  -0.441  -3.172   3.130
   80    HB2  HIS  15           1HB      HIS  15  -1.339  -1.584   5.541
   81    HB3  HIS  15           2HB      HIS  15  -1.912  -3.174   5.045
   82    HD1  HIS  15           1HD      HIS  15   0.914  -1.461   6.769
   83    HD2  HIS  15           2HD      HIS  15  -0.191  -5.311   5.666
   84    HE1  HIS  15           1HE      HIS  15   2.479  -2.991   8.008
   85    H    GLU  16           H        GLU  16  -0.286  -0.620   1.710
   86    HA   GLU  16           HA       GLU  16  -3.096   0.221   1.673
   87    HB2  GLU  16           1HB      GLU  16  -0.526   1.496   0.878
   88    HB3  GLU  16           2HB      GLU  16  -1.968   1.942  -0.024
   89    HG2  GLU  16           1HG      GLU  16  -1.432   3.449   1.875
   90    HG3  GLU  16           2HG      GLU  16  -3.045   2.742   1.940
   91    H    ALA  17           H        ALA  17  -4.274   0.308  -0.275
   92    HA   ALA  17           HA       ALA  17  -4.240  -1.875  -1.902
   93    HB1  ALA  17           1HB      ALA  17  -5.373   0.839  -2.135
   94    HB2  ALA  17           2HB      ALA  17  -5.270  -0.093  -3.629
   95    HB3  ALA  17           3HB      ALA  17  -6.158  -0.736  -2.248
   96    H    LEU  18           H        LEU  18  -2.820  -2.663  -3.299
   97    HA   LEU  18           HA       LEU  18  -0.694  -0.998  -4.336
   98    HB2  LEU  18           1HB      LEU  18  -1.257  -3.909  -4.867
   99    HB3  LEU  18           2HB      LEU  18   0.243  -3.047  -5.201
  100    HG   LEU  18           HG       LEU  18  -0.862  -3.495  -2.431
  101   HD11  LEU  18          1HD1      LEU  18  -0.230  -5.616  -2.682
  102   HD12  LEU  18          2HD1      LEU  18   1.425  -5.009  -2.697
  103   HD13  LEU  18          3HD1      LEU  18   0.573  -5.282  -4.217
  104   HD21  LEU  18          1HD2      LEU  18   1.981  -3.097  -2.680
  105   HD22  LEU  18          2HD2      LEU  18   0.802  -2.209  -1.713
  106   HD23  LEU  18          3HD2      LEU  18   1.093  -1.749  -3.391
  107    H    SER  19           H        SER  19  -0.987   0.180  -6.101
  108    HA   SER  19           HA       SER  19  -2.428  -1.014  -8.367
  109    HB2  SER  19           1HB      SER  19  -2.750   1.846  -7.426
  110    HB3  SER  19           2HB      SER  19  -3.512   1.132  -8.846
  111    HG   SER  19           HG       SER  19  -4.400  -0.437  -7.236
  112    H    LEU  20           H        LEU  20  -0.037   1.257  -7.182
  113    HA   LEU  20           HA       LEU  20   0.886   1.916  -9.849
  114    HB2  LEU  20           1HB      LEU  20   2.014   2.628  -7.146
  115    HB3  LEU  20           2HB      LEU  20   2.563   3.278  -8.690
  116    HG   LEU  20           HG       LEU  20  -0.200   3.687  -7.552
  117   HD11  LEU  20          1HD1      LEU  20   1.997   4.744  -6.455
  118   HD12  LEU  20          2HD1      LEU  20   0.462   5.607  -6.559
  119   HD13  LEU  20          3HD1      LEU  20   1.730   5.916  -7.746
  120   HD21  LEU  20          1HD2      LEU  20   0.141   5.663  -9.310
  121   HD22  LEU  20          2HD2      LEU  20  -0.537   4.097  -9.756
  122   HD23  LEU  20          3HD2      LEU  20   1.165   4.443 -10.067
  123    H    PHE  21           H        PHE  21   3.260   1.728 -10.326
  124    HA   PHE  21           HA       PHE  21   4.523  -0.605  -9.099
  125    HB2  PHE  21           1HB      PHE  21   3.502  -1.699 -10.905
  126    HB3  PHE  21           2HB      PHE  21   3.763  -0.340 -11.994
  127    HD1  PHE  21           1HD      PHE  21   5.351  -3.206 -10.332
  128    HD2  PHE  21           2HD      PHE  21   5.808  -0.086 -13.191
  129    HE1  PHE  21           1HE      PHE  21   7.398  -4.281 -11.172
  130    HE2  PHE  21           2HE      PHE  21   7.855  -1.156 -14.036
  131    HZ   PHE  21           HZ       PHE  21   8.653  -3.257 -13.028
  132    H    CYS  22           H        CYS  22   6.789  -0.717  -9.396
  133    HA   CYS  22           HA       CYS  22   7.988   1.823 -10.288
  134    HB2  CYS  22           1HB      CYS  22   8.182   1.388  -7.853
  135    HB3  CYS  22           2HB      CYS  22   9.045  -0.105  -8.210
  136    H    TYR  23           H        TYR  23   9.278   1.724 -11.996
  137    HA   TYR  23           HA       TYR  23   9.905  -0.764 -13.244
  138    HB2  TYR  23           1HB      TYR  23  10.435   2.114 -13.835
  139    HB3  TYR  23           2HB      TYR  23  11.395   0.898 -14.669
  140    HD1  TYR  23           2HD      TYR  23   9.960  -1.072 -15.731
  141    HD2  TYR  23           1HD      TYR  23   8.468   2.808 -14.823
  142    HE1  TYR  23           2HE      TYR  23   8.145  -1.394 -17.360
  143    HE2  TYR  23           1HE      TYR  23   6.648   2.496 -16.448
  144    HH   TYR  23           HH       TYR  23   6.636   0.322 -18.799
  145    H    GLU  24           H        GLU  24  11.787   1.671 -11.490
  146    HA   GLU  24           HA       GLU  24  14.330   0.609 -11.861
  147    HB2  GLU  24           1HB      GLU  24  13.493   2.797 -10.659
  148    HB3  GLU  24           2HB      GLU  24  13.582   1.793  -9.218
  149    HG2  GLU  24           1HG      GLU  24  15.667   2.673  -9.176
  150    HG3  GLU  24           2HG      GLU  24  15.985   1.258 -10.177
  151    H    ASP  25           H        ASP  25  12.039  -0.009  -9.206
  152    HA   ASP  25           HA       ASP  25  13.704  -2.189  -8.234
  153    HB2  ASP  25           1HB      ASP  25  11.106  -1.031  -7.203
  154    HB3  ASP  25           2HB      ASP  25  11.991  -2.341  -6.425
  155    H    GLN  26           H        GLN  26  11.798  -2.013 -10.754
  156    HA   GLN  26           HA       GLN  26  10.215  -3.348 -11.783
  157    HB2  GLN  26           1HB      GLN  26  12.405  -5.198 -10.859
  158    HB3  GLN  26           2HB      GLN  26  11.102  -5.742 -11.908
  159    HG2  GLN  26           1HG      GLN  26  13.100  -3.574 -12.511
  160    HG3  GLN  26           2HG      GLN  26  13.056  -5.192 -13.209
  161   HE21  GLN  26          1HE2      GLN  26  12.753  -2.343 -14.258
  162   HE22  GLN  26          2HE2      GLN  26  11.345  -2.425 -15.256
  163    H    GLU  27           H        GLU  27   9.558  -2.830  -9.002
  164    HA   GLU  27           HA       GLU  27   7.961  -5.245  -8.486
  165    HB2  GLU  27           1HB      GLU  27   9.493  -5.439  -6.761
  166    HB3  GLU  27           2HB      GLU  27   9.686  -3.699  -6.597
  167    HG2  GLU  27           1HG      GLU  27   8.549  -4.446  -4.671
  168    HG3  GLU  27           2HG      GLU  27   7.357  -3.623  -5.676
  169    H    ALA  28           H        ALA  28   5.951  -4.879  -7.398
  170    HA   ALA  28           HA       ALA  28   4.607  -2.541  -8.296
  171    HB1  ALA  28           1HB      ALA  28   2.665  -3.461  -7.081
  172    HB2  ALA  28           2HB      ALA  28   3.430  -4.643  -8.143
  173    HB3  ALA  28           3HB      ALA  28   3.711  -4.710  -6.403
  174    H    VAL  29           H        VAL  29   3.687  -0.857  -7.097
  175    HA   VAL  29           HA       VAL  29   4.601  -0.564  -4.320
  176    HB   VAL  29           HB       VAL  29   5.161   1.795  -4.712
  177   HG11  VAL  29          1HG1      VAL  29   6.626  -0.229  -6.393
  178   HG12  VAL  29          2HG1      VAL  29   7.231   1.399  -6.079
  179   HG13  VAL  29          3HG1      VAL  29   6.989   0.274  -4.742
  180   HG21  VAL  29          1HG2      VAL  29   4.685   2.888  -6.597
  181   HG22  VAL  29          2HG2      VAL  29   5.406   1.628  -7.598
  182   HG23  VAL  29          3HG2      VAL  29   3.733   1.478  -7.063
  183    H    CYS  30           H        CYS  30   3.402   1.053  -3.099
  184    HA   CYS  30           HA       CYS  30   0.620   1.209  -4.017
  185    HB2  CYS  30           1HB      CYS  30   0.010   1.488  -1.693
  186    HB3  CYS  30           2HB      CYS  30   1.079   0.097  -1.840
  187    H    LEU  31           H        LEU  31  -0.606   3.177  -3.376
  188    HA   LEU  31           HA       LEU  31   0.338   5.459  -4.545
  189    HB2  LEU  31           1HB      LEU  31  -1.470   6.614  -3.591
  190    HB3  LEU  31           2HB      LEU  31  -2.012   4.948  -3.782
  191    HG   LEU  31           HG       LEU  31  -0.922   5.863  -1.152
  192   HD11  LEU  31          1HD1      LEU  31  -3.756   6.030  -1.134
  193   HD12  LEU  31          2HD1      LEU  31  -3.148   7.061  -2.429
  194   HD13  LEU  31          3HD1      LEU  31  -2.573   7.289  -0.778
  195   HD21  LEU  31          1HD2      LEU  31  -2.316   4.127  -0.286
  196   HD22  LEU  31          2HD2      LEU  31  -1.412   3.465  -1.648
  197   HD23  LEU  31          3HD2      LEU  31  -3.108   3.909  -1.847
  198    H    ILE  32           H        ILE  32   0.746   4.436  -1.203
  199    HA   ILE  32           HA       ILE  32   1.857   6.856  -0.241
  200    HB   ILE  32           HB       ILE  32   2.330   4.068   0.819
  201   HG12  ILE  32          1HG1      ILE  32  -0.060   4.521   0.674
  202   HG13  ILE  32          2HG1      ILE  32   0.455   4.562   2.356
  203   HG21  ILE  32          1HG2      ILE  32   3.806   6.024   1.571
  204   HG22  ILE  32          2HG2      ILE  32   2.364   6.621   2.391
  205   HG23  ILE  32          3HG2      ILE  32   3.033   5.047   2.819
  206   HD11  ILE  32          1HD1      ILE  32   0.393   6.954   2.374
  207   HD12  ILE  32          2HD1      ILE  32   0.068   7.001   0.640
  208   HD13  ILE  32          3HD1      ILE  32  -1.140   6.348   1.747
  209    H    CYS  33           H        CYS  33   3.299   3.894  -1.542
  210    HA   CYS  33           HA       CYS  33   5.976   4.438  -1.069
  211    HB2  CYS  33           1HB      CYS  33   4.515   2.851  -3.141
  212    HB3  CYS  33           2HB      CYS  33   6.246   3.109  -3.334
  213    H    ALA  34           H        ALA  34   4.133   5.151  -4.039
  214    HA   ALA  34           HA       ALA  34   6.040   6.444  -5.508
  215    HB1  ALA  34           1HB      ALA  34   3.871   6.017  -6.427
  216    HB2  ALA  34           2HB      ALA  34   3.111   7.111  -5.270
  217    HB3  ALA  34           3HB      ALA  34   4.179   7.751  -6.520
  218    H    ILE  35           H        ILE  35   3.955   7.895  -3.021
  219    HA   ILE  35           HA       ILE  35   5.566  10.343  -3.141
  220    HB   ILE  35           HB       ILE  35   3.813  11.403  -1.831
  221   HG12  ILE  35          1HG1      ILE  35   2.174   8.889  -2.006
  222   HG13  ILE  35          2HG1      ILE  35   3.260   9.161  -0.647
  223   HG21  ILE  35          1HG2      ILE  35   3.471  10.288  -4.443
  224   HG22  ILE  35          2HG2      ILE  35   1.909  10.376  -3.630
  225   HG23  ILE  35          3HG2      ILE  35   2.894  11.828  -3.806
  226   HD11  ILE  35          1HD1      ILE  35   1.617  11.474  -1.122
  227   HD12  ILE  35          2HD1      ILE  35   0.634  10.025  -0.906
  228   HD13  ILE  35          3HD1      ILE  35   1.796  10.496   0.334
  229    H    SER  36           H        SER  36   6.675   7.981  -1.975
  230    HA   SER  36           HA       SER  36   7.118   8.987   0.743
  231    HB2  SER  36           1HB      SER  36   5.571   7.182   1.088
  232    HB3  SER  36           2HB      SER  36   6.476   6.126   0.004
  233    HG   SER  36           HG       SER  36   7.350   7.141   2.507
  234    H    HIS  37           H        HIS  37   9.198   8.875   1.437
  235    HA   HIS  37           HA       HIS  37  11.329   8.907  -0.198
  236    HB2  HIS  37           1HB      HIS  37  11.122   9.119   2.434
  237    HB3  HIS  37           2HB      HIS  37  11.729   7.467   2.388
  238    HD1  HIS  37           1HD      HIS  37  12.716  10.983   1.455
  239    HD2  HIS  37           2HD      HIS  37  14.423   7.217   1.861
  240    HE1  HIS  37           1HE      HIS  37  15.197  11.347   1.274
  241    H    THR  38           H        THR  38   9.884   5.991   1.176
  242    HA   THR  38           HA       THR  38  11.628   4.022   0.606
  243    HB   THR  38           HB       THR  38   8.721   3.813  -0.187
  244    HG1  THR  38           1HG      THR  38   9.973   3.948   2.325
  245   HG21  THR  38          1HG2      THR  38   9.212   1.673  -0.565
  246   HG22  THR  38          2HG2      THR  38   9.692   1.506   1.124
  247   HG23  THR  38          3HG2      THR  38  10.888   1.949  -0.094
  248    H    HIS  39           H        HIS  39   9.504   5.575  -1.776
  249    HA   HIS  39           HA       HIS  39  11.271   4.544  -3.891
  250    HB2  HIS  39           1HB      HIS  39   8.268   4.520  -3.778
  251    HB3  HIS  39           2HB      HIS  39   9.108   4.548  -5.326
  252    HD2  HIS  39           2HD      HIS  39   8.173   2.069  -2.534
  253    HE1  HIS  39           1HE      HIS  39  10.586  -0.011  -5.335
  254    HE2  HIS  39           2HE      HIS  39   9.023  -0.225  -3.372
  255    H    ARG  40           H        ARG  40  12.203   6.738  -3.408
  256    HA   ARG  40           HA       ARG  40  10.666   8.918  -4.624
  257    HB2  ARG  40           1HB      ARG  40  12.880   8.766  -2.652
  258    HB3  ARG  40           2HB      ARG  40  12.872  10.156  -3.729
  259    HG2  ARG  40           1HG      ARG  40  10.481   9.348  -2.100
  260    HG3  ARG  40           2HG      ARG  40  11.721  10.457  -1.510
  261    HD2  ARG  40           1HD      ARG  40  10.050  10.832  -3.993
  262    HD3  ARG  40           2HD      ARG  40   9.808  11.657  -2.454
  263    HE   ARG  40           HE       ARG  40  12.441  12.022  -3.529
  264   HH11  ARG  40          2HH1      ARG  40   9.153  13.164  -3.603
  265   HH12  ARG  40          1HH1      ARG  40   9.581  14.755  -4.138
  266   HH21  ARG  40          2HH2      ARG  40  13.016  14.113  -4.234
  267   HH22  ARG  40          1HH2      ARG  40  11.778  15.294  -4.498
  268    H    ALA  41           H        ALA  41  11.803  10.399  -6.086
  269    HA   ALA  41           HA       ALA  41  12.742  10.658  -8.163
  270    HB1  ALA  41           1HB      ALA  41  15.099  10.694  -8.124
  271    HB2  ALA  41           2HB      ALA  41  14.589  11.059  -6.475
  272    HB3  ALA  41           3HB      ALA  41  15.175   9.446  -6.880
  273    H    HIS  42           H        HIS  42  11.369   8.135  -7.815
  274    HA   HIS  42           HA       HIS  42  12.967   6.410  -9.592
  275    HB2  HIS  42           1HB      HIS  42  10.972   5.771  -7.443
  276    HB3  HIS  42           2HB      HIS  42  11.255   4.629  -8.753
  277    HD2  HIS  42           2HD      HIS  42  14.505   6.321  -7.741
  278    HE1  HIS  42           1HE      HIS  42  14.338   2.648  -5.623
  279    HE2  HIS  42           2HE      HIS  42  15.754   4.645  -6.216
  280    H    THR  43           H        THR  43  11.719   5.140 -11.171
  281    HA   THR  43           HA       THR  43   9.747   6.833 -12.463
  282    HB   THR  43           HB       THR  43  10.856   4.197 -13.438
  283    HG1  THR  43           1HG      THR  43  12.541   5.281 -14.196
  284   HG21  THR  43          1HG2      THR  43   9.894   4.647 -15.473
  285   HG22  THR  43          2HG2      THR  43   9.905   6.392 -15.214
  286   HG23  THR  43          3HG2      THR  43   8.704   5.387 -14.404
  287    H    VAL  44           H        VAL  44   7.932   6.596 -11.128
  288    HA   VAL  44           HA       VAL  44   6.816   3.925 -10.771
  289    HB   VAL  44           HB       VAL  44   5.905   6.615  -9.745
  290   HG11  VAL  44          1HG1      VAL  44   4.718   3.871  -9.403
  291   HG12  VAL  44          2HG1      VAL  44   4.371   5.211  -8.308
  292   HG13  VAL  44          3HG1      VAL  44   3.936   5.328 -10.014
  293   HG21  VAL  44          1HG2      VAL  44   7.066   4.251  -8.276
  294   HG22  VAL  44          2HG2      VAL  44   7.970   5.693  -8.736
  295   HG23  VAL  44          3HG2      VAL  44   6.638   5.817  -7.587
  296    H    VAL  45           H        VAL  45   4.942   3.207 -11.693
  297    HA   VAL  45           HA       VAL  45   3.424   5.011 -13.420
  298    HB   VAL  45           HB       VAL  45   3.476   3.513 -15.318
  299   HG11  VAL  45          1HG1      VAL  45   6.371   3.704 -14.727
  300   HG12  VAL  45          2HG1      VAL  45   5.463   4.239 -16.142
  301   HG13  VAL  45          3HG1      VAL  45   5.437   5.198 -14.661
  302   HG21  VAL  45          1HG2      VAL  45   3.682   1.358 -14.501
  303   HG22  VAL  45          2HG2      VAL  45   5.272   1.640 -15.208
  304   HG23  VAL  45          3HG2      VAL  45   5.048   1.770 -13.464
  305    HA   PRO  46           HA       PRO  46   0.007   2.796 -11.751
  306    HB2  PRO  46           1HB      PRO  46  -1.850   3.354 -13.650
  307    HB3  PRO  46           2HB      PRO  46  -1.292   4.548 -12.473
  308    HG2  PRO  46           1HG      PRO  46  -0.457   4.163 -15.322
  309    HG3  PRO  46           2HG      PRO  46  -0.801   5.669 -14.451
  310    HD2  PRO  46           1HD      PRO  46   1.720   4.787 -14.897
  311    HD3  PRO  46           2HD      PRO  46   1.273   5.709 -13.447
  312    H    LEU  47           H        LEU  47  -0.705   0.745 -11.823
  313    HA   LEU  47           HA       LEU  47   0.023  -0.890 -14.114
  314    HB2  LEU  47           1HB      LEU  47  -1.027  -1.538 -11.371
  315    HB3  LEU  47           2HB      LEU  47  -0.792  -2.759 -12.620
  316    HG   LEU  47           HG       LEU  47   1.462  -1.009 -11.679
  317   HD11  LEU  47          1HD1      LEU  47   0.940  -1.967  -9.654
  318   HD12  LEU  47          2HD1      LEU  47   2.030  -3.173 -10.338
  319   HD13  LEU  47          3HD1      LEU  47   0.286  -3.430 -10.390
  320   HD21  LEU  47          1HD2      LEU  47   2.854  -2.627 -12.657
  321   HD22  LEU  47          2HD2      LEU  47   1.553  -2.382 -13.822
  322   HD23  LEU  47          3HD2      LEU  47   1.547  -3.804 -12.778
  323    H    SER  48           H        SER  48  -2.053   0.951 -14.605
  324    HA   SER  48           HA       SER  48  -4.417  -0.794 -14.801
  325    HB2  SER  48           1HB      SER  48  -4.917   1.224 -13.572
  326    HB3  SER  48           2HB      SER  48  -4.197   2.224 -14.834
  327    HG   SER  48           HG       SER  48  -6.313   2.287 -15.293
  328    H    GLY  49           H        GLY  49  -5.508  -0.991 -16.767
  329    HA2  GLY  49           1HA      GLY  49  -3.824  -0.455 -19.102
  330    HA3  GLY  49           2HA      GLY  49  -5.180  -1.572 -19.038
  331    HA   PRO  50           HA       PRO  50  -6.351   2.958 -20.342
  332    HB2  PRO  50           1HB      PRO  50  -5.352   3.214 -22.853
  333    HB3  PRO  50           2HB      PRO  50  -4.478   3.748 -21.413
  334    HG2  PRO  50           1HG      PRO  50  -4.160   1.227 -22.996
  335    HG3  PRO  50           2HG      PRO  50  -2.911   2.289 -22.321
  336    HD2  PRO  50           1HD      PRO  50  -3.654  -0.026 -21.129
  337    HD3  PRO  50           2HD      PRO  50  -3.111   1.391 -20.208
  338    H    SER  51           H        SER  51  -8.384   1.927 -20.384
  339    HA   SER  51           HA       SER  51  -9.146   0.827 -23.011
  340    HB2  SER  51           1HB      SER  51  -9.186  -0.744 -20.965
  341    HB3  SER  51           2HB      SER  51 -10.594   0.182 -20.449
  342    HG   SER  51           HG       SER  51 -10.907  -0.448 -23.011
  343    H    SER  52           H        SER  52 -10.076   2.502 -24.034
  344    HA   SER  52           HA       SER  52 -12.525   3.584 -22.917
  345    HB2  SER  52           1HB      SER  52 -11.879   5.921 -23.234
  346    HB3  SER  52           2HB      SER  52 -10.783   5.138 -22.096
  347    HG   SER  52           HG       SER  52 -10.324   5.889 -24.773
  348    H    GLY  53           H        GLY  53 -13.974   4.277 -24.465
  349    HA2  GLY  53           1HA      GLY  53 -13.254   3.566 -27.217
  350    HA3  GLY  53           2HA      GLY  53 -14.886   3.733 -26.587
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -6.151 -24.632  -8.540
    2    HA2  GLY   1           1HA      GLY   1  -7.657 -24.804  -6.156
    3    HA3  GLY   1           2HA      GLY   1  -6.047 -24.116  -6.305
    4    H    SER   2           H        SER   2  -5.793 -21.945  -6.261
    5    HA   SER   2           HA       SER   2  -8.255 -20.341  -6.043
    6    HB2  SER   2           1HB      SER   2  -6.778 -20.571  -3.979
    7    HB3  SER   2           2HB      SER   2  -5.578 -19.615  -4.848
    8    HG   SER   2           HG       SER   2  -6.791 -18.191  -3.676
    9    H    SER   3           H        SER   3  -8.569 -19.358  -7.940
   10    HA   SER   3           HA       SER   3  -6.287 -17.930  -9.139
   11    HB2  SER   3           1HB      SER   3  -7.369 -18.308 -11.357
   12    HB3  SER   3           2HB      SER   3  -6.849 -19.801 -10.575
   13    HG   SER   3           HG       SER   3  -8.840 -20.389 -10.910
   14    H    GLY   4           H        GLY   4  -9.821 -18.024  -8.799
   15    HA2  GLY   4           1HA      GLY   4 -10.049 -15.251  -9.638
   16    HA3  GLY   4           2HA      GLY   4 -11.372 -16.321  -9.197
   17    H    SER   5           H        SER   5  -8.552 -14.731  -7.706
   18    HA   SER   5           HA       SER   5 -10.147 -13.446  -5.731
   19    HB2  SER   5           1HB      SER   5  -8.819 -16.028  -5.048
   20    HB3  SER   5           2HB      SER   5  -8.780 -14.739  -3.846
   21    HG   SER   5           HG       SER   5 -10.683 -15.534  -3.376
   22    H    SER   6           H        SER   6  -8.711 -12.399  -4.024
   23    HA   SER   6           HA       SER   6  -6.920 -11.111  -3.447
   24    HB2  SER   6           1HB      SER   6  -5.690 -13.333  -4.122
   25    HB3  SER   6           2HB      SER   6  -5.189 -12.396  -5.530
   26    HG   SER   6           HG       SER   6  -3.750 -12.316  -3.660
   27    H    GLY   7           H        GLY   7  -8.781 -10.214  -5.350
   28    HA2  GLY   7           1HA      GLY   7  -7.771  -9.165  -7.710
   29    HA3  GLY   7           2HA      GLY   7  -9.076  -8.443  -6.780
   30    H    GLU   8           H        GLU   8  -8.390  -7.077  -4.904
   31    HA   GLU   8           HA       GLU   8  -6.249  -5.317  -5.789
   32    HB2  GLU   8           1HB      GLU   8  -8.404  -5.064  -3.697
   33    HB3  GLU   8           2HB      GLU   8  -7.111  -3.884  -3.860
   34    HG2  GLU   8           1HG      GLU   8  -8.801  -4.614  -6.213
   35    HG3  GLU   8           2HG      GLU   8  -9.375  -3.453  -5.018
   36    H    SER   9           H        SER   9  -4.252  -5.665  -5.098
   37    HA   SER   9           HA       SER   9  -3.699  -7.255  -2.773
   38    HB2  SER   9           1HB      SER   9  -2.333  -6.952  -5.024
   39    HB3  SER   9           2HB      SER   9  -1.568  -5.647  -4.117
   40    HG   SER   9           HG       SER   9  -0.618  -7.063  -2.860
   41    H    LEU  10           H        LEU  10  -1.653  -6.224  -1.460
   42    HA   LEU  10           HA       LEU  10  -2.210  -3.476  -0.697
   43    HB2  LEU  10           1HB      LEU  10  -2.340  -5.714   1.316
   44    HB3  LEU  10           2HB      LEU  10  -2.513  -3.993   1.650
   45    HG   LEU  10           HG       LEU  10  -4.433  -5.430  -0.155
   46   HD11  LEU  10          1HD1      LEU  10  -4.646  -6.740   1.760
   47   HD12  LEU  10          2HD1      LEU  10  -5.887  -5.504   1.957
   48   HD13  LEU  10          3HD1      LEU  10  -4.367  -5.375   2.841
   49   HD21  LEU  10          1HD2      LEU  10  -4.608  -3.073  -0.286
   50   HD22  LEU  10          2HD2      LEU  10  -4.488  -2.894   1.465
   51   HD23  LEU  10          3HD2      LEU  10  -5.931  -3.613   0.748
   52    H    CYS  11           H        CYS  11  -0.491  -2.452   0.297
   53    HA   CYS  11           HA       CYS  11   2.082  -3.480  -0.215
   54    HB2  CYS  11           1HB      CYS  11   1.273  -1.020   0.064
   55    HB3  CYS  11           2HB      CYS  11   1.590  -1.287   1.775
   56    HA   PRO  12           HA       PRO  12   2.696  -6.032   3.341
   57    HB2  PRO  12           1HB      PRO  12   5.386  -6.320   3.110
   58    HB3  PRO  12           2HB      PRO  12   4.236  -7.160   2.063
   59    HG2  PRO  12           1HG      PRO  12   5.815  -4.672   1.533
   60    HG3  PRO  12           2HG      PRO  12   5.509  -6.053   0.462
   61    HD2  PRO  12           1HD      PRO  12   4.134  -3.728   0.270
   62    HD3  PRO  12           2HD      PRO  12   3.407  -5.302  -0.114
   63    H    GLN  13           H        GLN  13   3.474  -2.839   3.099
   64    HA   GLN  13           HA       GLN  13   4.456  -2.778   5.865
   65    HB2  GLN  13           1HB      GLN  13   5.514  -1.067   3.608
   66    HB3  GLN  13           2HB      GLN  13   5.971  -0.925   5.301
   67    HG2  GLN  13           1HG      GLN  13   6.768  -3.317   5.152
   68    HG3  GLN  13           2HG      GLN  13   6.560  -3.178   3.407
   69   HE21  GLN  13          1HE2      GLN  13   8.712  -2.888   5.884
   70   HE22  GLN  13          2HE2      GLN  13   9.893  -1.884   5.121
   71    H    HIS  14           H        HIS  14   2.802  -1.154   3.226
   72    HA   HIS  14           HA       HIS  14   1.651   0.752   5.152
   73    HB2  HIS  14           1HB      HIS  14   1.663   0.956   2.135
   74    HB3  HIS  14           2HB      HIS  14   1.164   2.200   3.278
   75    HD2  HIS  14           2HD      HIS  14   3.419   3.186   4.891
   76    HE1  HIS  14           1HE      HIS  14   6.218   2.181   1.866
   77    HE2  HIS  14           2HE      HIS  14   5.848   3.411   4.033
   78    H    HIS  15           H        HIS  15   0.972  -2.102   3.659
   79    HA   HIS  15           HA       HIS  15  -0.935  -3.202   3.009
   80    HB2  HIS  15           1HB      HIS  15  -1.816  -1.693   5.473
   81    HB3  HIS  15           2HB      HIS  15  -2.784  -2.954   4.714
   82    HD1  HIS  15           1HD      HIS  15  -2.627  -4.888   6.256
   83    HD2  HIS  15           2HD      HIS  15   1.069  -3.100   5.623
   84    HE1  HIS  15           1HE      HIS  15  -0.962  -6.345   7.451
   85    H    GLU  16           H        GLU  16  -0.562  -0.808   1.545
   86    HA   GLU  16           HA       GLU  16  -3.305   0.212   1.255
   87    HB2  GLU  16           1HB      GLU  16  -0.616   1.363   0.572
   88    HB3  GLU  16           2HB      GLU  16  -2.072   1.963  -0.210
   89    HG2  GLU  16           1HG      GLU  16  -1.387   2.032   2.712
   90    HG3  GLU  16           2HG      GLU  16  -1.616   3.394   1.617
   91    H    ALA  17           H        ALA  17  -4.394   0.036  -0.650
   92    HA   ALA  17           HA       ALA  17  -4.090  -2.063  -2.328
   93    HB1  ALA  17           1HB      ALA  17  -5.011   0.366  -3.711
   94    HB2  ALA  17           2HB      ALA  17  -5.803  -1.197  -3.506
   95    HB3  ALA  17           3HB      ALA  17  -5.839  -0.012  -2.200
   96    H    LEU  18           H        LEU  18  -2.527  -2.712  -3.641
   97    HA   LEU  18           HA       LEU  18  -0.462  -0.901  -4.510
   98    HB2  LEU  18           1HB      LEU  18  -0.897  -3.812  -5.162
   99    HB3  LEU  18           2HB      LEU  18   0.563  -2.884  -5.502
  100    HG   LEU  18           HG       LEU  18  -0.500  -3.578  -2.764
  101   HD11  LEU  18          1HD1      LEU  18   0.391  -5.543  -3.721
  102   HD12  LEU  18          2HD1      LEU  18   1.656  -4.891  -2.680
  103   HD13  LEU  18          3HD1      LEU  18   1.753  -4.672  -4.427
  104   HD21  LEU  18          1HD2      LEU  18   2.106  -2.257  -3.495
  105   HD22  LEU  18          2HD2      LEU  18   1.463  -2.552  -1.880
  106   HD23  LEU  18          3HD2      LEU  18   0.681  -1.379  -2.941
  107    H    SER  19           H        SER  19  -1.367   0.530  -5.958
  108    HA   SER  19           HA       SER  19  -2.367  -0.643  -8.471
  109    HB2  SER  19           1HB      SER  19  -3.067   2.007  -7.186
  110    HB3  SER  19           2HB      SER  19  -3.586   1.514  -8.798
  111    HG   SER  19           HG       SER  19  -4.108  -0.345  -6.852
  112    H    LEU  20           H        LEU  20   0.411  -0.067  -7.681
  113    HA   LEU  20           HA       LEU  20   1.112   1.549 -10.005
  114    HB2  LEU  20           1HB      LEU  20   2.117   2.089  -7.216
  115    HB3  LEU  20           2HB      LEU  20   2.831   2.770  -8.677
  116    HG   LEU  20           HG       LEU  20  -0.044   3.243  -7.933
  117   HD11  LEU  20          1HD1      LEU  20   2.324   4.962  -7.207
  118   HD12  LEU  20          2HD1      LEU  20   1.392   3.981  -6.077
  119   HD13  LEU  20          3HD1      LEU  20   0.625   5.332  -6.912
  120   HD21  LEU  20          1HD2      LEU  20  -0.017   4.897  -9.542
  121   HD22  LEU  20          2HD2      LEU  20   1.007   3.662 -10.275
  122   HD23  LEU  20          3HD2      LEU  20   1.738   5.065  -9.494
  123    H    PHE  21           H        PHE  21   3.403   1.330 -10.599
  124    HA   PHE  21           HA       PHE  21   4.801  -0.944  -9.429
  125    HB2  PHE  21           1HB      PHE  21   3.504  -2.039 -11.131
  126    HB3  PHE  21           2HB      PHE  21   3.934  -0.814 -12.320
  127    HD1  PHE  21           2HD      PHE  21   6.135  -0.794 -13.346
  128    HD2  PHE  21           1HD      PHE  21   5.036  -3.794 -10.535
  129    HE1  PHE  21           2HE      PHE  21   8.057  -2.157 -14.055
  130    HE2  PHE  21           1HE      PHE  21   6.956  -5.162 -11.238
  131    HZ   PHE  21           HZ       PHE  21   8.469  -4.344 -13.002
  132    H    CYS  22           H        CYS  22   7.003  -0.847  -9.636
  133    HA   CYS  22           HA       CYS  22   8.054   1.614 -10.850
  134    HB2  CYS  22           1HB      CYS  22   8.430   1.192  -8.395
  135    HB3  CYS  22           2HB      CYS  22   9.426  -0.187  -8.849
  136    H    TYR  23           H        TYR  23   9.610   1.569 -12.394
  137    HA   TYR  23           HA       TYR  23  10.072  -0.965 -13.713
  138    HB2  TYR  23           1HB      TYR  23  10.450   1.904 -14.396
  139    HB3  TYR  23           2HB      TYR  23  11.497   0.743 -15.203
  140    HD1  TYR  23           2HD      TYR  23  10.210  -1.357 -16.206
  141    HD2  TYR  23           1HD      TYR  23   8.436   2.424 -15.394
  142    HE1  TYR  23           2HE      TYR  23   8.420  -1.857 -17.818
  143    HE2  TYR  23           1HE      TYR  23   6.641   1.934 -17.003
  144    HH   TYR  23           HH       TYR  23   5.998   0.550 -18.680
  145    H    GLU  24           H        GLU  24  12.225   1.694 -12.692
  146    HA   GLU  24           HA       GLU  24  14.647   0.475 -12.969
  147    HB2  GLU  24           1HB      GLU  24  13.604   2.527 -11.079
  148    HB3  GLU  24           2HB      GLU  24  15.188   1.841 -10.748
  149    HG2  GLU  24           1HG      GLU  24  15.757   3.654 -12.011
  150    HG3  GLU  24           2HG      GLU  24  15.638   2.411 -13.255
  151    H    ASP  25           H        ASP  25  12.692   0.422  -9.986
  152    HA   ASP  25           HA       ASP  25  14.374  -1.510  -8.721
  153    HB2  ASP  25           1HB      ASP  25  11.740  -0.240  -8.070
  154    HB3  ASP  25           2HB      ASP  25  12.275  -1.647  -7.156
  155    H    GLN  26           H        GLN  26  11.505  -1.639 -10.698
  156    HA   GLN  26           HA       GLN  26  10.455  -3.380 -11.726
  157    HB2  GLN  26           1HB      GLN  26  12.980  -4.185 -11.758
  158    HB3  GLN  26           2HB      GLN  26  12.372  -5.381 -10.621
  159    HG2  GLN  26           1HG      GLN  26  12.061  -6.525 -12.548
  160    HG3  GLN  26           2HG      GLN  26  10.518  -5.676 -12.479
  161   HE21  GLN  26          1HE2      GLN  26  10.217  -3.835 -13.805
  162   HE22  GLN  26          2HE2      GLN  26  11.152  -3.613 -15.240
  163    H    GLU  27           H        GLU  27   9.828  -2.566  -9.019
  164    HA   GLU  27           HA       GLU  27   8.528  -5.044  -8.118
  165    HB2  GLU  27           1HB      GLU  27   8.905  -4.452  -5.797
  166    HB3  GLU  27           2HB      GLU  27  10.444  -4.541  -6.642
  167    HG2  GLU  27           1HG      GLU  27  10.103  -1.974  -6.941
  168    HG3  GLU  27           2HG      GLU  27   9.002  -2.162  -5.578
  169    H    ALA  28           H        ALA  28   6.510  -4.774  -7.073
  170    HA   ALA  28           HA       ALA  28   5.038  -2.477  -8.028
  171    HB1  ALA  28           1HB      ALA  28   3.228  -3.788  -7.901
  172    HB2  ALA  28           2HB      ALA  28   4.383  -5.101  -7.670
  173    HB3  ALA  28           3HB      ALA  28   3.622  -4.340  -6.273
  174    H    VAL  29           H        VAL  29   4.461  -0.742  -6.881
  175    HA   VAL  29           HA       VAL  29   4.881  -0.809  -3.963
  176    HB   VAL  29           HB       VAL  29   5.287   1.651  -4.120
  177   HG11  VAL  29          1HG1      VAL  29   7.019  -0.456  -4.565
  178   HG12  VAL  29          2HG1      VAL  29   7.407   0.686  -5.853
  179   HG13  VAL  29          3HG1      VAL  29   7.470   1.201  -4.167
  180   HG21  VAL  29          1HG2      VAL  29   5.294   2.805  -6.065
  181   HG22  VAL  29          2HG2      VAL  29   5.913   1.443  -6.998
  182   HG23  VAL  29          3HG2      VAL  29   4.203   1.516  -6.575
  183    H    CYS  30           H        CYS  30   3.671   1.249  -2.989
  184    HA   CYS  30           HA       CYS  30   0.900   1.118  -3.985
  185    HB2  CYS  30           1HB      CYS  30   0.102   1.252  -1.753
  186    HB3  CYS  30           2HB      CYS  30   1.389   0.051  -1.731
  187    H    LEU  31           H        LEU  31  -0.331   3.091  -2.735
  188    HA   LEU  31           HA       LEU  31   0.380   5.396  -4.120
  189    HB2  LEU  31           1HB      LEU  31  -1.451   4.761  -1.879
  190    HB3  LEU  31           2HB      LEU  31  -1.054   6.459  -2.136
  191    HG   LEU  31           HG       LEU  31  -3.163   5.806  -3.216
  192   HD11  LEU  31          1HD1      LEU  31  -0.983   6.471  -5.189
  193   HD12  LEU  31          2HD1      LEU  31  -1.787   7.628  -4.129
  194   HD13  LEU  31          3HD1      LEU  31  -2.707   6.790  -5.379
  195   HD21  LEU  31          1HD2      LEU  31  -2.423   4.430  -5.477
  196   HD22  LEU  31          2HD2      LEU  31  -3.246   3.746  -4.074
  197   HD23  LEU  31          3HD2      LEU  31  -1.491   3.636  -4.208
  198    H    ILE  32           H        ILE  32   0.575   4.980  -0.580
  199    HA   ILE  32           HA       ILE  32   1.994   7.222   0.063
  200    HB   ILE  32           HB       ILE  32   2.584   4.553   1.332
  201   HG12  ILE  32          1HG1      ILE  32   0.222   4.608   1.291
  202   HG13  ILE  32          2HG1      ILE  32   0.658   5.217   2.883
  203   HG21  ILE  32          1HG2      ILE  32   3.665   5.726   2.877
  204   HG22  ILE  32          2HG2      ILE  32   3.468   7.153   1.861
  205   HG23  ILE  32          3HG2      ILE  32   2.278   6.790   3.111
  206   HD11  ILE  32          1HD1      ILE  32   0.542   7.508   1.408
  207   HD12  ILE  32          2HD1      ILE  32  -0.738   6.529   0.690
  208   HD13  ILE  32          3HD1      ILE  32  -0.755   6.872   2.420
  209    H    CYS  33           H        CYS  33   3.412   4.058  -0.767
  210    HA   CYS  33           HA       CYS  33   6.075   4.615  -0.568
  211    HB2  CYS  33           1HB      CYS  33   4.503   2.868  -2.416
  212    HB3  CYS  33           2HB      CYS  33   6.226   3.073  -2.710
  213    H    ALA  34           H        ALA  34   4.088   5.145  -3.479
  214    HA   ALA  34           HA       ALA  34   5.965   6.226  -5.160
  215    HB1  ALA  34           1HB      ALA  34   3.077   6.290  -4.946
  216    HB2  ALA  34           2HB      ALA  34   3.720   7.775  -5.647
  217    HB3  ALA  34           3HB      ALA  34   4.102   6.216  -6.379
  218    H    ILE  35           H        ILE  35   3.898   8.073  -2.912
  219    HA   ILE  35           HA       ILE  35   5.657  10.387  -3.239
  220    HB   ILE  35           HB       ILE  35   3.945  11.635  -1.989
  221   HG12  ILE  35          1HG1      ILE  35   2.297   9.104  -2.082
  222   HG13  ILE  35          2HG1      ILE  35   3.184   9.627  -0.654
  223   HG21  ILE  35          1HG2      ILE  35   3.349  10.162  -4.488
  224   HG22  ILE  35          2HG2      ILE  35   2.018  11.034  -3.729
  225   HG23  ILE  35          3HG2      ILE  35   3.484  11.896  -4.196
  226   HD11  ILE  35          1HD1      ILE  35   1.646  11.151  -0.120
  227   HD12  ILE  35          2HD1      ILE  35   1.444  11.677  -1.792
  228   HD13  ILE  35          3HD1      ILE  35   0.599  10.243  -1.210
  229    H    SER  36           H        SER  36   6.719   8.170  -1.843
  230    HA   SER  36           HA       SER  36   6.819   9.197   0.918
  231    HB2  SER  36           1HB      SER  36   6.830   6.441  -0.196
  232    HB3  SER  36           2HB      SER  36   7.858   6.738   1.206
  233    HG   SER  36           HG       SER  36   5.375   7.829   1.476
  234    H    HIS  37           H        HIS  37   8.351  10.416  -1.048
  235    HA   HIS  37           HA       HIS  37  10.498  10.858  -1.749
  236    HB2  HIS  37           1HB      HIS  37  10.192  11.552   0.775
  237    HB3  HIS  37           2HB      HIS  37  11.373  10.275   1.052
  238    HD1  HIS  37           1HD      HIS  37  13.179  11.951   1.799
  239    HD2  HIS  37           2HD      HIS  37  11.790  12.580  -2.066
  240    HE1  HIS  37           1HE      HIS  37  14.796  13.572   0.759
  241    H    THR  38           H        THR  38   9.840   8.163  -2.227
  242    HA   THR  38           HA       THR  38  12.483   6.909  -1.886
  243    HB   THR  38           HB       THR  38   9.823   5.474  -1.764
  244    HG1  THR  38           1HG      THR  38  10.097   5.459   0.365
  245   HG21  THR  38          1HG2      THR  38  11.570   3.646  -0.933
  246   HG22  THR  38          2HG2      THR  38  12.637   4.554  -2.004
  247   HG23  THR  38          3HG2      THR  38  11.155   3.837  -2.636
  248    H    HIS  39           H        HIS  39   9.430   6.394  -3.668
  249    HA   HIS  39           HA       HIS  39  11.027   5.811  -6.066
  250    HB2  HIS  39           1HB      HIS  39   8.134   5.143  -5.485
  251    HB3  HIS  39           2HB      HIS  39   9.031   4.673  -6.927
  252    HD2  HIS  39           2HD      HIS  39   8.665   3.629  -3.196
  253    HE1  HIS  39           1HE      HIS  39  11.208   0.835  -5.125
  254    HE2  HIS  39           2HE      HIS  39   9.867   1.343  -3.054
  255    H    ARG  40           H        ARG  40  10.727   8.485  -5.327
  256    HA   ARG  40           HA       ARG  40   8.565   9.636  -6.860
  257    HB2  ARG  40           1HB      ARG  40   9.588  10.581  -4.698
  258    HB3  ARG  40           2HB      ARG  40  10.907  11.141  -5.717
  259    HG2  ARG  40           1HG      ARG  40   9.541  12.634  -6.874
  260    HG3  ARG  40           2HG      ARG  40   8.062  11.830  -6.344
  261    HD2  ARG  40           1HD      ARG  40   8.090  12.830  -4.291
  262    HD3  ARG  40           2HD      ARG  40   9.848  12.969  -4.263
  263    HE   ARG  40           HE       ARG  40   9.681  15.009  -5.312
  264   HH11  ARG  40          2HH1      ARG  40   6.601  13.387  -5.393
  265   HH12  ARG  40          1HH1      ARG  40   5.737  14.777  -5.962
  266   HH21  ARG  40          2HH2      ARG  40   8.554  16.846  -6.061
  267   HH22  ARG  40          1HH2      ARG  40   6.849  16.744  -6.342
  268    H    ALA  41           H        ALA  41  12.103   9.466  -7.096
  269    HA   ALA  41           HA       ALA  41  12.183  10.843  -9.610
  270    HB1  ALA  41           1HB      ALA  41  14.538   9.267  -9.074
  271    HB2  ALA  41           2HB      ALA  41  14.353  11.019  -9.163
  272    HB3  ALA  41           3HB      ALA  41  14.042  10.176  -7.646
  273    H    HIS  42           H        HIS  42  12.337   7.472  -8.564
  274    HA   HIS  42           HA       HIS  42  13.068   6.212 -10.895
  275    HB2  HIS  42           1HB      HIS  42  11.144   5.392  -8.727
  276    HB3  HIS  42           2HB      HIS  42  11.528   4.327 -10.077
  277    HD2  HIS  42           2HD      HIS  42  14.843   5.447  -9.801
  278    HE1  HIS  42           1HE      HIS  42  14.546   3.016  -6.337
  279    HE2  HIS  42           2HE      HIS  42  16.103   4.245  -7.888
  280    H    THR  43           H        THR  43  11.325   4.670 -12.055
  281    HA   THR  43           HA       THR  43   9.397   6.523 -13.276
  282    HB   THR  43           HB       THR  43  10.354   3.911 -14.446
  283    HG1  THR  43           1HG      THR  43  12.038   5.592 -14.054
  284   HG21  THR  43          1HG2      THR  43   8.360   5.791 -15.190
  285   HG22  THR  43          2HG2      THR  43   8.888   4.352 -16.063
  286   HG23  THR  43          3HG2      THR  43   9.672   5.904 -16.362
  287    H    VAL  44           H        VAL  44   7.753   6.215 -11.720
  288    HA   VAL  44           HA       VAL  44   6.694   3.551 -11.287
  289    HB   VAL  44           HB       VAL  44   5.657   6.226 -10.338
  290   HG11  VAL  44          1HG1      VAL  44   4.453   3.651 -10.343
  291   HG12  VAL  44          2HG1      VAL  44   4.852   4.075  -8.677
  292   HG13  VAL  44          3HG1      VAL  44   3.844   5.152  -9.645
  293   HG21  VAL  44          1HG2      VAL  44   7.073   4.173  -8.671
  294   HG22  VAL  44          2HG2      VAL  44   7.961   5.417  -9.550
  295   HG23  VAL  44          3HG2      VAL  44   6.785   5.877  -8.320
  296    H    VAL  45           H        VAL  45   4.768   2.758 -12.043
  297    HA   VAL  45           HA       VAL  45   3.263   4.436 -13.934
  298    HB   VAL  45           HB       VAL  45   3.008   2.578 -15.470
  299   HG11  VAL  45          1HG1      VAL  45   5.913   2.419 -15.203
  300   HG12  VAL  45          2HG1      VAL  45   4.926   3.045 -16.526
  301   HG13  VAL  45          3HG1      VAL  45   5.282   4.064 -15.130
  302   HG21  VAL  45          1HG2      VAL  45   3.345   0.463 -14.881
  303   HG22  VAL  45          2HG2      VAL  45   5.028   0.798 -14.476
  304   HG23  VAL  45          3HG2      VAL  45   3.768   1.020 -13.262
  305    HA   PRO  46           HA       PRO  46  -0.275   3.074 -11.696
  306    HB2  PRO  46           1HB      PRO  46  -2.176   3.510 -13.584
  307    HB3  PRO  46           2HB      PRO  46  -1.391   4.818 -12.693
  308    HG2  PRO  46           1HG      PRO  46  -0.813   3.787 -15.443
  309    HG3  PRO  46           2HG      PRO  46  -0.903   5.464 -14.873
  310    HD2  PRO  46           1HD      PRO  46   1.449   4.176 -15.247
  311    HD3  PRO  46           2HD      PRO  46   1.225   5.410 -13.990
  312    H    LEU  47           H        LEU  47  -1.150   1.134 -11.308
  313    HA   LEU  47           HA       LEU  47  -1.024  -0.893 -13.424
  314    HB2  LEU  47           1HB      LEU  47  -1.178  -1.067 -10.428
  315    HB3  LEU  47           2HB      LEU  47  -1.441  -2.467 -11.467
  316    HG   LEU  47           HG       LEU  47   1.099  -0.859 -11.217
  317   HD11  LEU  47          1HD1      LEU  47   1.956  -2.549  -9.954
  318   HD12  LEU  47          2HD1      LEU  47   0.901  -3.770 -10.665
  319   HD13  LEU  47          3HD1      LEU  47   0.266  -2.649  -9.461
  320   HD21  LEU  47          1HD2      LEU  47   1.936  -2.859 -12.645
  321   HD22  LEU  47          2HD2      LEU  47   1.136  -1.501 -13.438
  322   HD23  LEU  47          3HD2      LEU  47   0.245  -2.992 -13.131
  323    H    SER  48           H        SER  48  -3.108   1.082 -13.421
  324    HA   SER  48           HA       SER  48  -5.441  -0.656 -12.947
  325    HB2  SER  48           1HB      SER  48  -5.353   2.364 -12.746
  326    HB3  SER  48           2HB      SER  48  -6.772   1.349 -12.487
  327    HG   SER  48           HG       SER  48  -6.080   1.463 -10.486
  328    H    GLY  49           H        GLY  49  -4.187   2.046 -14.891
  329    HA2  GLY  49           1HA      GLY  49  -4.710   1.018 -17.377
  330    HA3  GLY  49           2HA      GLY  49  -6.217   1.784 -16.897
  331    HA   PRO  50           HA       PRO  50  -4.155   5.199 -18.984
  332    HB2  PRO  50           1HB      PRO  50  -6.410   6.688 -19.249
  333    HB3  PRO  50           2HB      PRO  50  -6.009   5.351 -20.333
  334    HG2  PRO  50           1HG      PRO  50  -7.872   5.396 -17.990
  335    HG3  PRO  50           2HG      PRO  50  -8.098   4.653 -19.584
  336    HD2  PRO  50           1HD      PRO  50  -7.378   3.224 -17.400
  337    HD3  PRO  50           2HD      PRO  50  -6.841   2.800 -19.038
  338    H    SER  51           H        SER  51  -3.675   7.355 -18.408
  339    HA   SER  51           HA       SER  51  -3.876   7.868 -15.566
  340    HB2  SER  51           1HB      SER  51  -1.745   8.234 -16.768
  341    HB3  SER  51           2HB      SER  51  -2.520   9.487 -17.737
  342    HG   SER  51           HG       SER  51  -2.060   9.495 -14.940
  343    H    SER  52           H        SER  52  -4.732   9.600 -18.558
  344    HA   SER  52           HA       SER  52  -5.976  11.796 -17.388
  345    HB2  SER  52           1HB      SER  52  -7.173  12.039 -19.553
  346    HB3  SER  52           2HB      SER  52  -5.448  11.742 -19.763
  347    HG   SER  52           HG       SER  52  -6.449  10.371 -21.149
  348    H    GLY  53           H        GLY  53  -8.240  12.318 -17.176
  349    HA2  GLY  53           1HA      GLY  53 -10.444  11.886 -16.636
  350    HA3  GLY  53           2HA      GLY  53 -10.220  10.244 -17.221