*HEADER    TRANSCRIPTION                           05-APR-07   2YTO              
*TITLE     SOLUTION STRUCTURE OF THE C2H2 TYPE ZINC FINGER (REGION 659-          
*TITLE    2 691) OF HUMAN ZINC FINGER PROTEIN 484                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER PROTEIN 484;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZF-C2H2;                                                   
*COMPND   5 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: ZNF484;                                                        
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P070115-48;                               
*SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
*KEYWDS    ZF-C2H2, NMR, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT           
*KEYWDS   2 ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN                 
*KEYWDS   3 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,                     
*KEYWDS   4 TRANSCRIPTION                                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.TOMIZAWA, H.ABE, K.SAITO, H.LI, M.SATO,                   
*AUTHOR   2 S.KOSHIBA, N.KOBAYASHI, T.KIGAWA, S.YOKOYAMA, RIKEN                  
*AUTHOR   3 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)                     
*REVDAT   1   12-MAY-09 2YTO    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.
**************************************************************

15 CYSS SG   201 ZN   ZN   2.19  5.00E+00
15 CYSS CB   201 ZN   ZN   3.25  5.00E+00
18 CYSS SG   201 ZN   ZN   2.19  5.00E+00
18 CYSS CB   201 ZN   ZN   3.25  5.00E+00
31 HIS NE2   201 ZN   ZN   1.90  5.00E+00
35 HIS NE2   201 ZN   ZN   1.90  5.00E+00
15 CYSS SG  18 CYSS SG   3.56  5.00E+00
15 CYSS SG  31 HIS NE2   3.32  5.00E+00
15 CYSS SG  35 HIS NE2   3.32  5.00E+00
18 CYSS SG  31 HIS NE2   3.32  5.00E+00
18 CYSS SG  35 HIS NE2   3.32  5.00E+00
31 HIS NE2  35 HIS NE2   3.00  5.00E+00

15 CYSS SG   201 ZN   ZN   2.39  5.00E+00
15 CYSS CB   201 ZN   ZN   3.51  5.00E+00
18 CYSS SG   201 ZN   ZN   2.39  5.00E+00
18 CYSS CB   201 ZN   ZN   3.51  5.00E+00
31 HIS NE2   201 ZN   ZN   2.10  5.00E+00
35 HIS NE2   201 ZN   ZN   2.10  5.00E+00
15 CYSS SG  18 CYSS SG   3.96  5.00E+00
15 CYSS SG  31 HIS NE2   3.72  5.00E+00
15 CYSS SG  35 HIS NE2   3.72  5.00E+00
18 CYSS SG  31 HIS NE2   3.72  5.00E+00
18 CYSS SG  35 HIS NE2   3.72  5.00E+00
31 HIS NE2  35 HIS NE2   3.60  5.00E+00

  26  SER   PHI  -97.3  -37.3
  26  SER   PSI  -64.8   -4.8
  28  LEU   PHI  -95.8  -35.8
  28  LEU   PSI  -62.9   -2.9
  29  HIST   PHI  -92.1  -32.1
  29  HIST   PSI  -71.1  -11.1
  30  ILE   PHI  -94.7  -34.7
  30  ILE   PSI  -70.2  -10.2
  31  HIS   PHI  -93.4  -33.4
  31  HIS   PSI  -71.5  -11.5
  32  GLN   PHI  -96.6  -36.6
  32  GLN   PSI  -67.4   -7.4

35 HIS CHI1 -90 -30
18 CYSS CHI1 30 90

 17 ASP  HN     19 GLY  HN      4.31 #SUP  0.98  #QF  0.98
 18 CYSS HN     19 GLY  HN      2.97 #SUP  0.99  #QF  0.99
 13 TYR  HA     14 LYS  HN      2.95 #SUP  0.86  #QF  0.86
 15 CYSS HB3    19 GLY  HN      3.63 #SUP  0.56  #QF  0.56
 13 TYR  HB3    14 LYS  HN      4.11 #SUP  0.99  #QF  0.99
 14 LYS  HN     14 LYS  QB      3.26 #SUP  0.83  #QF  0.83
 14 LYS  HN     14 LYS  HG2     5.50 #SUP  0.99  #QF  0.80
 14 LYS  HN     14 LYS  HG3     5.50 #SUP  0.99  #QF  0.80
 36 THR  HN     36 THR  QG2     5.44 #SUP  0.96  #QF  0.31
 14 LYS  HN     28 LEU  QD2     4.03 #SUP  0.90  #QF  0.90
 13 TYR  QD     14 LYS  HN      4.46 #SUP  0.97  #QF  0.97
 13 TYR  HB2    14 LYS  HN      4.54 #SUP  1.00
 28 LEU  QD1    32 GLN  HE21    4.63 #SUP  0.84  #QF  0.79
 28 LEU  QD1    32 GLN  HE22    4.63 #SUP  0.55  #QF  0.55
 20 LYS  HA     21 ALA  HN      2.75 #SUP  0.97  #QF  0.97
 20 LYS  HB3    21 ALA  HN      4.67 #SUP  0.92  #QF  0.25
 21 ALA  HN     21 ALA  QB      3.05 #SUP  0.90  #QF  0.90
 15 CYSS HN     20 LYS  HN      4.50 #SUP  0.94  #QF  0.94
 20 LYS  HN     21 ALA  HN      4.44 #SUP  0.99  #QF  0.99
 15 CYSS HB3    20 LYS  HN      3.40 #SUP  0.97  #QF  0.97
 25 LYS  HA     28 LEU  HN      4.02 #SUP  0.89  #QF  0.89
 15 CYSS HB2    20 LYS  HN      3.89 #SUP  0.99  #QF  0.99
 22 PHE  HB2    28 LEU  HN      4.49 #SUP  0.99  #QF  0.99
 28 LEU  HN     28 LEU  HB3     3.40 #SUP  1.00
 28 LEU  HN     28 LEU  HG      4.40 #SUP  1.00
 20 LYS  HN     20 LYS  HB3     3.64 #SUP  0.99  #QF  0.99
 20 LYS  HN     20 LYS  HB2     3.64 #SUP  0.89  #QF  0.89
 28 LEU  HN     28 LEU  HB2     3.53 #SUP  1.00
 20 LYS  HN     20 LYS  HG3     4.80 #SUP  0.95  #QF  0.95
 28 LEU  HN     28 LEU  QD1     4.68 #SUP  1.00  #QF  0.94
 28 LEU  HN     28 LEU  QD2     4.96 #SUP  1.00  #QF  0.94
 17 ASP  HN     17 ASP  HB3     3.99 #SUP  0.97  #QF  0.97
 10 GLU  HA     11 LYS  HN      3.55 #SUP  0.99  #QF  0.99
 24 ARG  HB3    27 GLY  HN      4.15 #SUP  0.99  #QF  0.99
 24 ARG  HB2    27 GLY  HN      4.15 #SUP  0.89  #QF  0.89
 38 GLU  HN     38 GLU  QG      4.67 #SUP  0.96  #QF  0.96
 10 GLU  HN     10 GLU  QG      4.65 #SUP  0.92  #QF  0.92
 31 HIS  HN     32 GLN  HN      3.64 #SUP  0.97  #QF  0.97
 28 LEU  HN     31 HIS  HN      5.50 #SUP  0.98  #QF  0.62
 31 HIS  HN     31 HIS  HD2     5.50 #SUP  0.98  #QF  0.62
 30 ILE  QG2    31 HIS  HN      4.00 #SUP  0.98  #QF  0.98
 30 ILE  HN     31 HIS  HN      3.54 #SUP  0.97  #QF  0.97
 31 HIS  HN     31 HIS  HB2     3.24 #SUP  0.97  #QF  0.97
 31 HIS  HN     31 HIS  HB3     3.24 #SUP  0.94  #QF  0.94
 30 ILE  HB     31 HIS  HN      3.52 #SUP  0.97  #QF  0.97
 31 HIS  HD2    32 GLN  HN      4.66 #SUP  0.99  #QF  0.99
 29 HIST HA     32 GLN  HN      4.59 #SUP  0.76  #QF  0.76
 28 LEU  QD1    32 GLN  HN      4.82 #SUP  0.94  #QF  0.94
 32 GLN  HN     33 GLN  HN      3.82 #SUP  0.99  #QF  0.99
 31 HIS  HB2    32 GLN  HN      4.45 #SUP  0.99  #QF  0.99
 32 GLN  HN     32 GLN  QG      3.71 #SUP  0.99  #QF  0.99
 32 GLN  HN     32 GLN  HB3     4.05 #SUP  1.00
 32 GLN  HN     32 GLN  HB2     4.05 #SUP  1.00
 34 SER  HN     35 HIS  HN      3.83 #SUP  0.89  #QF  0.69
 35 HIS  HN     36 THR  HN      4.14 #SUP  0.89  #QF  0.69
 35 HIS  HN     35 HIS  HD2     4.70 #SUP  0.91  #QF  0.91
 32 GLN  HA     35 HIS  HN      4.57 #SUP  0.89  #QF  0.71
 29 HIST HN     30 ILE  HN      3.76 #SUP  0.99  #QF  0.99
 28 LEU  HN     29 HIST HN      3.38 #SUP  0.98  #QF  0.98
 29 HIST HN     29 HIST QB      2.97 #SUP  0.89  #QF  0.89
 25 LYS  HA     29 HIST HN      4.68 #SUP  0.82  #QF  0.82
 28 LEU  HG     29 HIST HN      4.31 #SUP  0.99  #QF  0.99
 28 LEU  HB2    29 HIST HN      4.04 #SUP  1.00
 26 SER  HA     29 HIST HN      4.05 #SUP  0.97  #QF  0.97
 28 LEU  HB3    29 HIST HN      3.51 #SUP  0.99  #QF  0.99
 28 LEU  QD1    29 HIST HN      4.93 #SUP  0.99  #QF  0.85
 28 LEU  QD2    29 HIST HN      5.15 #SUP  0.99  #QF  0.85
 26 SER  HA     30 ILE  HN      4.47 #SUP  0.95  #QF  0.95
 29 HIST QB     30 ILE  HN      3.52 #SUP  0.98  #QF  0.98
 30 ILE  HN     30 ILE  HB      3.26 #SUP  0.99  #QF  0.99
 30 ILE  HN     30 ILE  QD1     4.18 #SUP  0.93  #QF  0.80
 12 PRO  QD     13 TYR  HN      3.69 #SUP  1.00  #QF  0.46
 30 ILE  HN     30 ILE  HG13    3.93 #SUP  0.82  #QF  0.82
 13 TYR  HN     22 PHE  HN      3.96 #SUP  0.99  #QF  0.99
 13 TYR  HN     13 TYR  QD      3.54 #SUP  1.00
 13 TYR  HN     13 TYR  HB3     4.02 #SUP  1.00
 13 TYR  HN     13 TYR  HB2     3.33 #SUP  0.99  #QF  0.99
 13 TYR  HN     22 PHE  HB2     4.89 #SUP  0.99  #QF  0.99
 12 PRO  HB3    13 TYR  HN      4.56 #SUP  1.00
 23 THR  HN     24 ARG  HN      4.33 #SUP  0.99  #QF  0.99
 13 TYR  QD     24 ARG  HN      4.56 #SUP  0.68  #QF  0.43
 24 ARG  HN     27 GLY  HN      5.06 #SUP  0.68  #QF  0.43
 22 PHE  HA     24 ARG  HN      4.54 #SUP  0.97  #QF  0.97
 23 THR  HB     24 ARG  HN      4.11 #SUP  1.00  #QF  0.99
 22 PHE  HB2    24 ARG  HN      4.03 #SUP  0.98  #QF  0.98
 24 ARG  HN     24 ARG  HB3     4.19 #SUP  1.00
 24 ARG  HN     24 ARG  HB2     4.19 #SUP  0.66  #QF  0.66
 23 THR  QG2    24 ARG  HN      4.55 #SUP  0.94  #QF  0.94
 22 PHE  HB3    24 ARG  HN      3.58 #SUP  0.91  #QF  0.91
 33 GLN  HN     33 GLN  HG2     4.26 #SUP  0.91  #QF  0.91
 32 GLN  HB3    33 GLN  HN      4.34 #SUP  0.99  #QF  0.78
 11 LYS  HB2    22 PHE  HN      4.55 #SUP  0.92  #QF  0.92
 22 PHE  HN     22 PHE  QD      3.35 #SUP  0.97  #QF  0.97
 22 PHE  HN     22 PHE  QE      4.75 #SUP  0.93  #QF  0.93
 21 ALA  HA     22 PHE  HN      2.96 #SUP  0.89  #QF  0.89
 14 LYS  HA     22 PHE  HN      4.11 #SUP  0.71  #QF  0.71
 22 PHE  HN     22 PHE  HB3     3.99 #SUP  1.00
 13 TYR  HB3    22 PHE  HN      4.65 #SUP  0.98  #QF  0.98
 13 TYR  HB2    22 PHE  HN      4.22 #SUP  0.99  #QF  0.99
 22 PHE  HN     22 PHE  HB2     3.51 #SUP  0.99  #QF  0.99
 11 LYS  HB3    22 PHE  HN      4.55 #SUP  0.90  #QF  0.90
 21 ALA  QB     22 PHE  HN      3.40 #SUP  0.97  #QF  0.97
 22 PHE  HB3    23 THR  HN      4.77 #SUP  0.97  #QF  0.97
 15 CYSS HN     28 LEU  QD1     4.11 #SUP  0.98  #QF  0.98
 15 CYSS HN     31 HIS  HD2     4.85 #SUP  0.98  #QF  0.98
 15 CYSS HN     22 PHE  QE      4.63 #SUP  0.71  #QF  0.71
 15 CYSS HN     21 ALA  HA      3.86 #SUP  0.58  #QF  0.58
 14 LYS  HA     15 CYSS HN      2.98 #SUP  0.77  #QF  0.77
 15 CYSS HN     15 CYSS HB3     3.19 #SUP  0.99  #QF  0.99
 15 CYSS HN     15 CYSS HB2     3.29 #SUP  0.99  #QF  0.99
 14 LYS  QB     15 CYSS HN      4.10 #SUP  0.96  #QF  0.95
 23 THR  HN     23 THR  QG2     4.91 #SUP  0.86  #QF  0.28
 14 LYS  HG2    15 CYSS HN      5.50 #SUP  0.99  #QF  0.81
 14 LYS  HG3    15 CYSS HN      5.50 #SUP  0.99  #QF  0.81
 17 ASP  HN     18 CYSS HN      3.31 #SUP  0.98  #QF  0.98
 16 SER  HA     18 CYSS HN      5.36 #SUP  1.00  #QF  0.85
 18 CYSS HN     18 CYSS HB3     3.76 #SUP  0.89  #QF  0.89
 18 CYSS HN     18 CYSS HB2     3.76 #SUP  0.99  #QF  0.99
 17 ASP  HB3    18 CYSS HN      4.24 #SUP  0.92  #QF  0.92
 13 TYR  QE     25 LYS  HN      4.65 #SUP  0.96  #QF  0.96
 24 ARG  QG     25 LYS  HN      4.79 #SUP  0.56  #QF  0.56
 33 GLN  HN     34 SER  HN      3.70 #SUP  0.68  #QF  0.47
 33 GLN  HB2    34 SER  HN      4.85 #SUP  0.91  #QF  0.56
 33 GLN  HB3    34 SER  HN      4.85 #SUP  0.91  #QF  0.56
 22 PHE  QD     28 LEU  QD1     3.63 #SUP  0.95  #QF  0.95
 28 LEU  QD1    31 HIS  HD2     3.52 #SUP  0.99  #QF  0.99
 15 CYSS HA     28 LEU  QD1     3.66 #SUP  0.94  #QF  0.94
 23 THR  HA     23 THR  QG2     3.52 #SUP  1.00  #QF  0.62
 12 PRO  QD     23 THR  QG2     4.56 #SUP  0.63  #QF  0.63
 15 CYSS HB2    28 LEU  QD1     3.49 #SUP  0.99  #QF  0.99
 28 LEU  QD1    32 GLN  QG      3.54 #SUP  0.87  #QF  0.87
 28 LEU  HB3    28 LEU  QD1     4.00 #SUP  1.00
 14 LYS  HA     21 ALA  QB      4.31 #SUP  0.75  #QF  0.75
 20 LYS  HA     21 ALA  QB      4.32 #SUP  0.90  #QF  0.90
 11 LYS  HB2    21 ALA  QB      3.54 #SUP  0.80  #QF  0.75
 11 LYS  HB3    21 ALA  QB      3.54 #SUP  0.84  #QF  0.84
 27 GLY  HA1    30 ILE  HN      4.82 #SUP  0.86  #QF  0.86
 22 PHE  QD     27 GLY  HA2     4.53 #SUP  0.99  #QF  0.99
 22 PHE  QD     27 GLY  HA1     4.84 #SUP  0.98  #QF  0.98
 33 GLN  HA     36 THR  QG2     4.47 #SUP  0.88  #QF  0.88
 22 PHE  HB3    27 GLY  HA2     4.62 #SUP  0.99  #QF  0.99
 27 GLY  HA1    30 ILE  HB      3.91 #SUP  0.66  #QF  0.66
 27 GLY  HA1    30 ILE  QD1     4.38 #SUP  0.55  #QF  0.55
 29 HIST HA     29 HIST HD2     4.00 #SUP  0.94  #QF  0.94
 28 LEU  HG     29 HIST HD2     4.56 #SUP  0.69  #QF  0.69
 12 PRO  QD     13 TYR  QE      4.71 #SUP  0.99  #QF  0.99
 13 TYR  QE     25 LYS  HA      4.07 #SUP  0.87  #QF  0.82
 13 TYR  QE     25 LYS  QE      4.43 #SUP  0.87  #QF  0.82
 12 PRO  HB3    13 TYR  QE      5.50 #SUP  1.00  #QF  0.99
 12 PRO  HG3    13 TYR  QE      4.49 #SUP  0.97  #QF  0.97
 12 PRO  HG2    13 TYR  QE      4.49 #SUP  0.97  #QF  0.92
 13 TYR  QE     25 LYS  QG      4.44 #SUP  0.97  #QF  0.92
 22 PHE  HB3    28 LEU  HB2     4.33 #SUP  1.00
 12 PRO  HB2    13 TYR  QE      4.05 #SUP  0.92  #QF  0.92
 13 TYR  QE     25 LYS  QD      4.24 #SUP  0.99  #QF  0.99
 22 PHE  HB3    28 LEU  HN      4.37 #SUP  0.99  #QF  0.99
 13 TYR  QD     22 PHE  HB2     4.53 #SUP  1.00  #QF  0.94
 22 PHE  HB2    28 LEU  HA      4.66 #SUP  0.99  #QF  0.99
 13 TYR  HB3    22 PHE  HB2     4.24 #SUP  0.99  #QF  0.99
 22 PHE  HB2    28 LEU  HB2     4.02 #SUP  1.00
 22 PHE  HB2    28 LEU  QD1     4.92 #SUP  1.00  #QF  0.91
 22 PHE  HB2    28 LEU  QD2     5.30 #SUP  1.00  #QF  0.91
 11 LYS  HG2    11 LYS  QE      3.94 #SUP  0.82  #QF  0.82
 11 LYS  HG3    11 LYS  QE      3.94 #SUP  0.92  #QF  0.78
 30 ILE  HN     30 ILE  QG2     4.15 #SUP  1.00
 30 ILE  HA     30 ILE  QG2     3.37 #SUP  0.99  #QF  0.99
 25 LYS  QG     25 LYS  QE      3.91 #SUP  0.87  #QF  0.75
 17 ASP  HN     17 ASP  HB2     3.99 #SUP  1.00
 17 ASP  HB2    18 CYSS HN      4.24 #SUP  0.99  #QF  0.98
 22 PHE  QD     28 LEU  HB3     4.84 #SUP  1.00
 13 TYR  HB3    28 LEU  HB2     3.89 #SUP  0.97  #QF  0.97
 13 TYR  HB3    28 LEU  HB3     4.05 #SUP  0.99  #QF  0.67
 22 PHE  HB2    28 LEU  HB3     4.60 #SUP  1.00
 28 LEU  HB2    28 LEU  QD1     3.64 #SUP  1.00  #QF  0.94
 28 LEU  HB3    28 LEU  QD2     3.43 #SUP  1.00  #QF  0.89
 11 LYS  HA     23 THR  HA      4.62 #SUP  0.74  #QF  0.74
 12 PRO  QD     23 THR  HA      3.59 #SUP  0.99  #QF  0.99
 18 CYSS HB2    35 HIS  HE1     4.34 #SUP  0.82  #QF  0.76
 30 ILE  HA     33 GLN  HG2     4.31 #SUP  0.96  #QF  0.96
 30 ILE  HA     33 GLN  HG3     4.31 #SUP  0.97  #QF  0.97
 30 ILE  HA     33 GLN  HB2     5.50 #SUP  0.94  #QF  0.52
 30 ILE  HA     33 GLN  HB3     5.50 #SUP  0.94  #QF  0.52
 30 ILE  HA     30 ILE  HG13    3.89 #SUP  1.00
 29 HIST QB     30 ILE  HA      4.79 #SUP  0.95  #QF  0.95
 12 PRO  HA     13 TYR  HN      3.55 #SUP  1.00
 13 TYR  HB2    22 PHE  HB3     4.76 #SUP  1.00
 13 TYR  HB2    28 LEU  HB3     4.79 #SUP  1.00
 13 TYR  HB2    28 LEU  QD2     3.79 #SUP  1.00
 13 TYR  HB2    28 LEU  HB2     4.23 #SUP  1.00
 26 SER  HA     30 ILE  HB      5.50 #SUP  1.00  #QF  0.23
 27 GLY  HA2    30 ILE  HB      5.50 #SUP  1.00  #QF  0.23
 36 THR  HA     36 THR  QG2     3.58 #SUP  0.83  #QF  0.83
 26 SER  HA     30 ILE  QD1     4.90 #SUP  0.62  #QF  0.47
 27 GLY  HA2    30 ILE  QD1     5.49 #SUP  0.62  #QF  0.47
 30 ILE  HA     30 ILE  QD1     4.02 #SUP  0.94  #QF  0.94
  8 THR  HA      8 THR  QG2     3.98 #SUP  0.82  #QF  0.82
 26 SER  HA     29 HIST HA      4.99 #SUP  1.00
 26 SER  HA     29 HIST QB      3.36 #SUP  0.94  #QF  0.94
 13 TYR  QD     25 LYS  HA      4.06 #SUP  0.97  #QF  0.42
 31 HIS  HD2    32 GLN  HA      3.99 #SUP  0.98  #QF  0.98
 32 GLN  HA     35 HIS  HD2     3.50 #SUP  0.96  #QF  0.96
 32 GLN  HA     32 GLN  QG      3.48 #SUP  0.96  #QF  0.96
 25 LYS  HA     28 LEU  HB3     3.69 #SUP  0.84  #QF  0.84
 25 LYS  HA     25 LYS  QD      3.70 #SUP  0.98  #QF  0.98
 30 ILE  QG2    31 HIS  HA      4.44 #SUP  0.99  #QF  0.99
 29 HIST HA     32 GLN  HB3     4.68 #SUP  0.98  #QF  0.98
 28 LEU  HG     29 HIST HA      4.70 #SUP  0.90  #QF  0.90
 20 LYS  HB2    21 ALA  HN      4.67 #SUP  1.00
 33 GLN  HN     33 GLN  HG3     4.26 #SUP  1.00
 15 CYSS HB2    20 LYS  HB3     5.10 #SUP  0.98  #QF  0.93
 15 CYSS HB2    20 LYS  HB2     5.10 #SUP  0.98  #QF  0.92
 20 LYS  HA     20 LYS  HG2     3.93 #SUP  1.00
 20 LYS  HA     20 LYS  HG3     3.93 #SUP  1.00
 13 TYR  HA     13 TYR  QD      3.86 #SUP  0.99  #QF  0.99
 13 TYR  QD     23 THR  HA      4.58 #SUP  0.74  #QF  0.74
 12 PRO  QD     13 TYR  QD      3.84 #SUP  0.99  #QF  0.99
 12 PRO  HB2    13 TYR  QD      4.22 #SUP  0.93  #QF  0.93
 13 TYR  QD     25 LYS  QD      4.49 #SUP  0.59  #QF  0.59
 33 GLN  HA     36 THR  HN      5.50 #SUP  1.00
 28 LEU  HA     31 HIS  HN      4.58 #SUP  0.85  #QF  0.85
 22 PHE  QD     28 LEU  HA      4.16 #SUP  1.00
 22 PHE  QE     28 LEU  HA      4.56 #SUP  0.88  #QF  0.88
 28 LEU  HA     31 HIS  HA      5.45 #SUP  0.86  #QF  0.86
 27 GLY  HA2    28 LEU  HA      4.82 #SUP  0.67  #QF  0.67
 28 LEU  HA     28 LEU  HG      4.08 #SUP  1.00
 28 LEU  HA     28 LEU  QD1     3.30 #SUP  1.00
 18 CYSS HB3    35 HIS  HE1     4.34 #SUP  1.00  #QF  0.99
 22 PHE  QD     28 LEU  HN      4.33 #SUP  0.98  #QF  0.98
 22 PHE  HA     22 PHE  QD      4.50 #SUP  0.96  #QF  0.96
 22 PHE  QD     28 LEU  HB2     3.95 #SUP  0.99  #QF  0.99
 25 LYS  HB2    25 LYS  QE      4.63 #SUP  1.00
 25 LYS  HB3    25 LYS  QE      4.63 #SUP  1.00
 10 GLU  HA     10 GLU  QG      4.23 #SUP  0.79  #QF  0.79
 25 LYS  HB3    25 LYS  QD      3.60 #SUP  1.00
 38 GLU  HA     38 GLU  QG      4.10 #SUP  0.98  #QF  0.98
 15 CYSS HB2    22 PHE  QE      4.05 #SUP  0.97  #QF  0.86
 22 PHE  QE     28 LEU  QD1     4.32 #SUP  0.96  #QF  0.96
 15 CYSS HB3    22 PHE  QE      4.77 #SUP  0.96  #QF  0.96
 39 ARG  HA     39 ARG  QD      4.64 #SUP  0.93  #QF  0.93
 39 ARG  HB2    39 ARG  QG      2.96 #SUP  1.00
 39 ARG  HB3    39 ARG  QG      2.96 #SUP  0.99  #QF  0.99
 20 LYS  HB3    22 PHE  QE      4.33 #SUP  0.94  #QF  0.84
 20 LYS  HB2    22 PHE  QE      4.33 #SUP  0.98  #QF  0.98
 15 CYSS HB3    31 HIS  HD2     4.04 #SUP  0.99  #QF  0.99
 15 CYSS HB3    20 LYS  HB3     4.68 #SUP  1.00
 15 CYSS HB3    20 LYS  HB2     4.68 #SUP  0.94  #QF  0.94
 15 CYSS HB2    18 CYSS HN      4.98 #SUP  0.26  #QF  0.26
 15 CYSS HB3    18 CYSS HN      4.22 #SUP  0.75  #QF  0.75
 15 CYSS HB3    28 LEU  QD1     4.08 #SUP  1.00
 20 LYS  HD3    31 HIS  HE1     4.70 #SUP  0.79  #QF  0.79
 20 LYS  HD2    31 HIS  HE1     4.70 #SUP  0.86  #QF  0.86
 20 LYS  HD3    22 PHE  HZ      4.80 #SUP  0.96  #QF  0.96
 30 ILE  HN     30 ILE  HG12    3.93 #SUP  1.00
 30 ILE  HA     30 ILE  HG12    3.89 #SUP  1.00
 31 HIS  HB3    32 GLN  HN      4.45 #SUP  1.00
 22 PHE  HZ     31 HIS  HB2     4.46 #SUP  0.89  #QF  0.89
 22 PHE  HZ     31 HIS  HB3     4.46 #SUP  0.96  #QF  0.27
 20 LYS  HB3    22 PHE  HZ      4.44 #SUP  0.98  #QF  0.93
 20 LYS  HD2    22 PHE  HZ      4.80 #SUP  0.98  #QF  0.93
 20 LYS  HB2    22 PHE  HZ      4.44 #SUP  0.99  #QF  0.99
 28 LEU  QD1    31 HIS  HB2     4.74 #SUP  0.97  #QF  0.97
 29 HIST HA     32 GLN  HB2     4.68 #SUP  0.99  #QF  0.99
 32 GLN  HB2    33 GLN  HN      4.34 #SUP  1.00  #QF  0.57
 13 TYR  HB3    28 LEU  HG      5.10 #SUP  0.98  #QF  0.98
 15 CYSS HB2    31 HIS  HD2     3.46 #SUP  0.98  #QF  0.98
 28 LEU  HG     32 GLN  QG      4.16 #SUP  0.90  #QF  0.90
 32 GLN  QG     35 HIS  HD2     4.56 #SUP  0.85  #QF  0.85
 17 ASP  HB3    35 HIS  HD2     5.00 #SUP  0.95  #QF  0.95
 24 ARG  HN     24 ARG  QG      4.50 #SUP  0.99  #QF  0.99
 24 ARG  QG     27 GLY  HN      4.70 #SUP  0.98  #QF  0.98
 23 THR  HB     24 ARG  QG      4.38 #SUP  0.99  #QF  0.99
 31 HIS  HD2    32 GLN  QG      3.95 #SUP  0.91  #QF  0.91
 23 THR  QG2    24 ARG  QG      4.04 #SUP  0.72  #QF  0.72
 13 TYR  QD     28 LEU  QD2     3.81 #SUP  0.99  #QF  0.99
 28 LEU  QD2    29 HIST HD2     4.75 #SUP  0.93  #QF  0.93
 28 LEU  HA     28 LEU  QD2     4.56 #SUP  1.00
 13 TYR  HB3    28 LEU  QD2     3.39 #SUP  0.99  #QF  0.99
 28 LEU  HB2    28 LEU  QD2     3.93 #SUP  0.91  #QF  0.91
 20 LYS  HN     20 LYS  HG2     4.80 #SUP  1.00
 20 LYS  HG2    21 ALA  HN      4.76 #SUP  1.00
 20 LYS  HG3    21 ALA  HN      4.76 #SUP  0.95  #QF  0.95
 13 TYR  HA     28 LEU  QD2     4.90 #SUP  0.99  #QF  0.99
 14 LYS  QB     21 ALA  HA      4.82 #SUP  0.66  #QF  0.56
 21 ALA  HA     22 PHE  QD      4.25 #SUP  0.99  #QF  0.99
 14 LYS  HA     21 ALA  HA      4.03 #SUP  0.85  #QF  0.85
 11 LYS  HA     12 PRO  QD      3.10 #SUP  0.94  #QF  0.94
 42 GLY  QA     43 PRO  QD      3.43 #SUP  0.88  #QF  0.88
 25 LYS  HB2    25 LYS  QD      3.60 #SUP  0.97  #QF  0.97
 13 TYR  HB2    22 PHE  HB2     3.81 #SUP  1.00
 13 TYR  QE     24 ARG  HA      4.50 #SUP  0.78  #QF  0.78
 13 TYR  HN     13 TYR  QE      5.08 #SUP  1.00
 17 ASP  HB2    35 HIS  HD2     5.00 #SUP  0.88  #QF  0.88
 28 LEU  QD1    31 HIS  HB3     4.74 #SUP  0.97  #QF  0.97
 10 GLU  HN     10 GLU  QB      3.65 
 11 LYS  HA     11 LYS  QG      3.70 
 11 LYS  QB     12 PRO  QD      3.79 
 11 LYS  QB     21 ALA  QB      3.07 
 11 LYS  QB     22 PHE  HN      3.90 
 11 LYS  QG     11 LYS  QE      3.46 
 11 LYS  QG     23 THR  HA      4.57 
 12 PRO  QG     13 TYR  HN      4.18 
 12 PRO  QG     13 TYR  QD      3.77 
 12 PRO  QG     13 TYR  QE      3.79 
 13 TYR  QE     24 ARG  QB      5.34 
 13 TYR  QE     25 LYS  QB      4.53 
 14 LYS  QB     14 LYS  QE      4.21 
 14 LYS  QG     14 LYS  QE      3.32 
 14 LYS  QG     15 CYSS HN      4.79 
 14 LYS  QG     19 GLY  QA      4.74 
 14 LYS  QD     15 CYSS HN      4.43 
 14 LYS  QD     19 GLY  QA      4.21 
 14 LYS  QE     19 GLY  QA      4.53 
 14 LYS  QE     21 ALA  QB      4.34 
 15 CYSS HB3    20 LYS  QB      4.11 
 17 ASP  HN     17 ASP  QB      3.24 
 17 ASP  QB     18 CYSS HN      3.45 
 17 ASP  QB     35 HIS  HD2     4.29 
 18 CYSS HN     19 GLY  QA      4.30 
 18 CYSS QB     19 GLY  HN      3.96 
 18 CYSS QB     19 GLY  QA      5.18 
 18 CYSS QB     35 HIS  HE1     3.63 
 20 LYS  HN     20 LYS  QB      2.92 
 20 LYS  HN     20 LYS  QG      4.21 
 20 LYS  HA     20 LYS  QD      4.66 
 20 LYS  QB     20 LYS  QE      4.76 
 20 LYS  QB     21 ALA  HN      3.96 
 20 LYS  QB     22 PHE  HZ      3.79 
 20 LYS  QG     20 LYS  QE      3.33 
 20 LYS  QD     22 PHE  HZ      4.23 
 20 LYS  QD     31 HIS  HE1     4.11 
 20 LYS  QE     31 HIS  HE1     4.76 
 22 PHE  QE     31 HIS  QB      4.39 
 22 PHE  HZ     31 HIS  QB      3.74 
 24 ARG  HN     24 ARG  QB      3.44 
 24 ARG  QB     25 LYS  QB      5.01 
 24 ARG  QB     27 GLY  HN      3.42 
 24 ARG  QB     27 GLY  HA2     4.13 
 25 LYS  HN     25 LYS  QB      3.63 
 25 LYS  QB     25 LYS  QE      4.03 
 28 LEU  HA     31 HIS  QB      3.60 
 28 LEU  HG     32 GLN  QE2     5.34 
 28 LEU  QD1    32 GLN  QE2     3.92 
 29 HIST HA     32 GLN  QB      3.85 
 30 ILE  HN     30 ILE  QG1     3.41 
 30 ILE  HA     30 ILE  QG1     3.32 
 30 ILE  HA     33 GLN  QB      4.74 
 31 HIS  HN     31 HIS  QB      2.83 
 31 HIS  QB     32 GLN  HN      3.64 
 32 GLN  HN     32 GLN  QB      3.37 
 32 GLN  HA     35 HIS  QB      4.61 
 32 GLN  QB     33 GLN  HN      3.70 
 32 GLN  QE2    35 HIS  HD2     4.38 
 33 GLN  HN     33 GLN  QB      3.67 
 33 GLN  HN     33 GLN  QG      3.60 
 33 GLN  HA     33 GLN  QG      3.52 
 33 GLN  QB     34 SER  HN      4.02 
 34 SER  HN     34 SER  QB      3.34 
 34 SER  QB     36 THR  HN      4.83 
 35 HIS  HN     35 HIS  QB      3.44 
 38 GLU  HN     38 GLU  QB      3.67 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -11.505  23.093 -18.783
    2    HA2  GLY   1           1HA      GLY   1 -10.610  20.551 -19.980
    3    HA3  GLY   1           2HA      GLY   1  -9.438  21.734 -19.418
    4    H    SER   2           H        SER   2  -8.880  19.622 -18.222
    5    HA   SER   2           HA       SER   2 -10.237  19.705 -15.610
    6    HB2  SER   2           1HB      SER   2 -10.918  17.656 -16.741
    7    HB3  SER   2           2HB      SER   2  -9.233  17.243 -17.060
    8    HG   SER   2           HG       SER   2 -10.033  16.146 -15.227
    9    H    SER   3           H        SER   3  -8.768  20.824 -14.451
   10    HA   SER   3           HA       SER   3  -6.034  19.728 -14.343
   11    HB2  SER   3           1HB      SER   3  -5.366  22.125 -13.705
   12    HB3  SER   3           2HB      SER   3  -5.766  21.827 -15.396
   13    HG   SER   3           HG       SER   3  -7.767  22.665 -13.611
   14    H    GLY   4           H        GLY   4  -8.869  20.587 -12.669
   15    HA2  GLY   4           1HA      GLY   4  -9.110  19.599 -10.439
   16    HA3  GLY   4           2HA      GLY   4  -7.477  20.150 -10.100
   17    H    SER   5           H        SER   5  -7.291  21.962  -8.968
   18    HA   SER   5           HA       SER   5  -7.886  23.826  -7.797
   19    HB2  SER   5           1HB      SER   5  -7.712  24.614 -10.248
   20    HB3  SER   5           2HB      SER   5  -9.475  24.655 -10.218
   21    HG   SER   5           HG       SER   5  -7.785  26.481  -9.312
   22    H    SER   6           H        SER   6  -9.589  21.572  -7.424
   23    HA   SER   6           HA       SER   6 -12.086  22.962  -6.721
   24    HB2  SER   6           1HB      SER   6 -12.369  21.414  -8.692
   25    HB3  SER   6           2HB      SER   6 -11.948  20.078  -7.621
   26    HG   SER   6           HG       SER   6 -13.771  20.481  -6.420
   27    H    GLY   7           H        GLY   7 -10.334  19.904  -6.140
   28    HA2  GLY   7           1HA      GLY   7 -11.422  19.313  -3.655
   29    HA3  GLY   7           2HA      GLY   7  -9.826  18.807  -4.188
   30    H    THR   8           H        THR   8 -11.469  20.498  -1.872
   31    HA   THR   8           HA       THR   8  -9.689  22.660  -1.385
   32    HB   THR   8           HB       THR   8 -11.957  22.717  -0.506
   33    HG1  THR   8           HG1      THR   8 -10.639  23.946   0.740
   34   HG21  THR   8          3HG2      THR   8 -11.133  20.490   1.357
   35   HG22  THR   8          1HG2      THR   8 -12.137  20.265  -0.074
   36   HG23  THR   8          2HG2      THR   8 -12.713  21.267   1.258
   37    H    GLY   9           H        GLY   9  -9.958  19.372  -0.090
   38    HA2  GLY   9           1HA      GLY   9  -8.139  19.454   1.971
   39    HA3  GLY   9           2HA      GLY   9  -8.388  18.048   0.945
   40    H    GLU  10           H        GLU  10  -5.934  18.397   1.988
   41    HA   GLU  10           HA       GLU  10  -4.349  19.381  -0.294
   42    HB2  GLU  10           1HB      GLU  10  -2.518  19.800   1.342
   43    HB3  GLU  10           2HB      GLU  10  -3.935  20.808   1.597
   44    HG2  GLU  10           1HG      GLU  10  -4.642  19.054   3.318
   45    HG3  GLU  10           2HG      GLU  10  -2.980  18.477   3.215
   46    H    LYS  11           H        LYS  11  -5.153  16.926  -0.655
   47    HA   LYS  11           HA       LYS  11  -2.858  15.245   0.112
   48    HB2  LYS  11           1HB      LYS  11  -5.782  14.550  -0.016
   49    HB3  LYS  11           2HB      LYS  11  -4.543  13.310  -0.150
   50    HG2  LYS  11           1HG      LYS  11  -4.933  13.225   2.087
   51    HG3  LYS  11           2HG      LYS  11  -3.658  14.445   2.060
   52    HD2  LYS  11           1HD      LYS  11  -5.515  16.172   1.933
   53    HD3  LYS  11           2HD      LYS  11  -6.627  14.859   2.327
   54    HE2  LYS  11           1HE      LYS  11  -4.222  15.294   4.037
   55    HE3  LYS  11           2HE      LYS  11  -5.605  16.373   4.213
   56    HZ1  LYS  11           3HZ      LYS  11  -5.286  13.685   5.111
   57    HZ2  LYS  11           1HZ      LYS  11  -6.686  13.861   4.177
   58    HZ3  LYS  11           2HZ      LYS  11  -6.453  14.830   5.543
   59    HA   PRO  12           HA       PRO  12  -2.983  15.564  -4.488
   60    HB2  PRO  12           1HB      PRO  12  -0.284  15.655  -4.768
   61    HB3  PRO  12           2HB      PRO  12  -1.266  17.090  -4.451
   62    HG2  PRO  12           1HG      PRO  12   0.340  15.434  -2.543
   63    HG3  PRO  12           2HG      PRO  12   0.204  17.199  -2.652
   64    HD2  PRO  12           1HD      PRO  12  -1.161  15.744  -0.821
   65    HD3  PRO  12           2HD      PRO  12  -1.806  17.240  -1.525
   66    H    TYR  13           H        TYR  13  -2.089  13.302  -2.215
   67    HA   TYR  13           HA       TYR  13  -1.569  11.305  -4.309
   68    HB2  TYR  13           1HB      TYR  13  -0.195  11.317  -1.618
   69    HB3  TYR  13           2HB      TYR  13   0.105  10.220  -2.961
   70    HD1  TYR  13           HD1      TYR  13   0.863  11.389  -5.199
   71    HD2  TYR  13           HD2      TYR  13   1.205  13.136  -1.335
   72    HE1  TYR  13           HE1      TYR  13   2.617  12.893  -6.041
   73    HE2  TYR  13           HE2      TYR  13   2.959  14.647  -2.167
   74    HH   TYR  13           HH       TYR  13   4.337  15.100  -3.880
   75    H    LYS  14           H        LYS  14  -2.690   9.447  -4.125
   76    HA   LYS  14           HA       LYS  14  -4.047   8.846  -1.599
   77    HB2  LYS  14           1HB      LYS  14  -5.710  10.040  -2.877
   78    HB3  LYS  14           2HB      LYS  14  -5.388   9.055  -4.298
   79    HG2  LYS  14           1HG      LYS  14  -7.266   8.024  -3.556
   80    HG3  LYS  14           2HG      LYS  14  -6.066   7.101  -2.648
   81    HD2  LYS  14           1HD      LYS  14  -7.493   7.631  -0.948
   82    HD3  LYS  14           2HD      LYS  14  -6.441   9.047  -0.889
   83    HE2  LYS  14           1HE      LYS  14  -8.950   8.988  -2.541
   84    HE3  LYS  14           2HE      LYS  14  -8.965   9.444  -0.838
   85    HZ1  LYS  14           3HZ      LYS  14  -7.612  10.813  -3.084
   86    HZ2  LYS  14           1HZ      LYS  14  -7.196  11.117  -1.472
   87    HZ3  LYS  14           2HZ      LYS  14  -8.765  11.438  -2.016
   88    H    CYS  15           H        CYS  15  -3.845   6.775  -1.054
   89    HA   CYS  15           HA       CYS  15  -2.382   4.948  -2.609
   90    HB2  CYS  15           1HB      CYS  15  -2.579   4.873  -0.127
   91    HB3  CYS  15           2HB      CYS  15  -4.243   4.325  -0.307
   92    H    SER  16           H        SER  16  -3.042   4.072  -4.452
   93    HA   SER  16           HA       SER  16  -5.850   3.694  -5.019
   94    HB2  SER  16           1HB      SER  16  -4.060   4.457  -6.694
   95    HB3  SER  16           2HB      SER  16  -3.562   2.766  -6.750
   96    HG   SER  16           HG       SER  16  -6.274   3.310  -7.071
   97    H    ASP  17           H        ASP  17  -4.941   2.151  -2.841
   98    HA   ASP  17           HA       ASP  17  -5.310  -0.557  -3.934
   99    HB2  ASP  17           1HB      ASP  17  -3.488   0.270  -1.667
  100    HB3  ASP  17           2HB      ASP  17  -3.886  -1.401  -2.058
  101    H    CYS  18           H        CYS  18  -5.621   1.524  -1.078
  102    HA   CYS  18           HA       CYS  18  -7.918  -0.121  -0.237
  103    HB2  CYS  18           1HB      CYS  18  -7.439   0.614   2.075
  104    HB3  CYS  18           2HB      CYS  18  -6.102  -0.290   1.373
  105    H    GLY  19           H        GLY  19  -6.581   3.176  -0.208
  106    HA2  GLY  19           1HA      GLY  19  -8.114   4.882  -1.197
  107    HA3  GLY  19           2HA      GLY  19  -9.361   4.181  -0.176
  108    H    LYS  20           H        LYS  20  -6.027   5.377   0.258
  109    HA   LYS  20           HA       LYS  20  -7.020   6.997   2.509
  110    HB2  LYS  20           1HB      LYS  20  -4.685   5.151   2.350
  111    HB3  LYS  20           2HB      LYS  20  -4.510   6.619   3.302
  112    HG2  LYS  20           1HG      LYS  20  -6.212   5.991   4.788
  113    HG3  LYS  20           2HG      LYS  20  -6.810   4.735   3.701
  114    HD2  LYS  20           1HD      LYS  20  -5.076   3.288   4.210
  115    HD3  LYS  20           2HD      LYS  20  -4.014   4.589   4.754
  116    HE2  LYS  20           1HE      LYS  20  -4.678   3.440   6.704
  117    HE3  LYS  20           2HE      LYS  20  -5.631   4.923   6.672
  118    HZ1  LYS  20           3HZ      LYS  20  -6.717   2.441   5.515
  119    HZ2  LYS  20           1HZ      LYS  20  -7.544   3.784   6.129
  120    HZ3  LYS  20           2HZ      LYS  20  -6.790   2.700   7.186
  121    H    ALA  21           H        ALA  21  -6.777   9.091   2.138
  122    HA   ALA  21           HA       ALA  21  -4.968  10.018   0.070
  123    HB1  ALA  21           3HB      ALA  21  -7.413  10.837   0.684
  124    HB2  ALA  21           1HB      ALA  21  -6.511  11.930   1.735
  125    HB3  ALA  21           2HB      ALA  21  -6.208  11.926  -0.003
  126    H    PHE  22           H        PHE  22  -3.040  10.942   0.386
  127    HA   PHE  22           HA       PHE  22  -2.286  11.660   3.142
  128    HB2  PHE  22           1HB      PHE  22  -0.479  10.533   0.994
  129    HB3  PHE  22           2HB      PHE  22  -0.004  10.949   2.637
  130    HD1  PHE  22           HD1      PHE  22  -1.976   8.613   0.587
  131    HD2  PHE  22           HD2      PHE  22  -0.415   9.477   4.451
  132    HE1  PHE  22           HE1      PHE  22  -2.542   6.334   1.321
  133    HE2  PHE  22           HE2      PHE  22  -0.978   7.199   5.191
  134    HZ   PHE  22           HZ       PHE  22  -2.042   5.624   3.625
  135    H    THR  23           H        THR  23  -1.036  13.498   3.447
  136    HA   THR  23           HA       THR  23  -1.268  15.480   1.345
  137    HB   THR  23           HB       THR  23  -0.239  15.714   4.178
  138    HG1  THR  23           HG1      THR  23  -2.691  16.483   2.941
  139   HG21  THR  23          3HG2      THR  23   0.827  17.473   3.093
  140   HG22  THR  23          1HG2      THR  23  -0.674  18.216   3.643
  141   HG23  THR  23          2HG2      THR  23  -0.504  17.713   1.961
  142    H    ARG  24           H        ARG  24   1.225  13.601   2.921
  143    HA   ARG  24           HA       ARG  24   3.273  14.979   1.320
  144    HB2  ARG  24           1HB      ARG  24   4.842  13.676   2.917
  145    HB3  ARG  24           2HB      ARG  24   3.992  15.088   3.530
  146    HG2  ARG  24           1HG      ARG  24   2.471  13.782   4.746
  147    HG3  ARG  24           2HG      ARG  24   2.906  12.313   3.870
  148    HD2  ARG  24           1HD      ARG  24   4.072  11.966   5.801
  149    HD3  ARG  24           2HD      ARG  24   5.289  12.844   4.875
  150    HE   ARG  24           HE       ARG  24   3.771  14.704   6.304
  151   HH11  ARG  24          1HH1      ARG  24   6.029  12.121   6.896
  152   HH12  ARG  24          2HH1      ARG  24   6.634  12.811   8.366
  153   HH21  ARG  24          1HH2      ARG  24   4.559  15.623   8.238
  154   HH22  ARG  24          2HH2      ARG  24   5.797  14.803   9.128
  155    H    LYS  25           H        LYS  25   4.142  13.957  -0.357
  156    HA   LYS  25           HA       LYS  25   3.276  11.637  -1.471
  157    HB2  LYS  25           1HB      LYS  25   5.433  11.529  -2.681
  158    HB3  LYS  25           2HB      LYS  25   4.749  13.149  -2.659
  159    HG2  LYS  25           1HG      LYS  25   6.752  12.352  -0.594
  160    HG3  LYS  25           2HG      LYS  25   7.280  12.807  -2.216
  161    HD2  LYS  25           1HD      LYS  25   5.655  14.854  -1.761
  162    HD3  LYS  25           2HD      LYS  25   6.033  14.460  -0.083
  163    HE2  LYS  25           1HE      LYS  25   8.262  14.663  -2.049
  164    HE3  LYS  25           2HE      LYS  25   7.514  16.147  -1.461
  165    HZ1  LYS  25           3HZ      LYS  25   9.137  15.845   0.091
  166    HZ2  LYS  25           1HZ      LYS  25   9.092  14.156  -0.001
  167    HZ3  LYS  25           2HZ      LYS  25   7.884  14.990   0.839
  168    H    SER  26           H        SER  26   5.620  11.981   1.106
  169    HA   SER  26           HA       SER  26   6.521   9.271   1.042
  170    HB2  SER  26           1HB      SER  26   7.491   9.828   3.291
  171    HB3  SER  26           2HB      SER  26   7.967  10.940   2.008
  172    HG   SER  26           HG       SER  26   7.321  12.332   3.487
  173    H    GLY  27           H        GLY  27   4.330  11.067   3.206
  174    HA2  GLY  27           1HA      GLY  27   3.583   9.219   5.018
  175    HA3  GLY  27           2HA      GLY  27   2.420  10.310   4.279
  176    H    LEU  28           H        LEU  28   2.804   9.114   1.611
  177    HA   LEU  28           HA       LEU  28   0.974   6.885   1.975
  178    HB2  LEU  28           1HB      LEU  28   0.242   8.355   0.321
  179    HB3  LEU  28           2HB      LEU  28   1.856   8.529  -0.367
  180    HG   LEU  28           HG       LEU  28   1.692   6.214  -1.232
  181   HD11  LEU  28          1HD1      LEU  28  -1.226   6.308  -0.548
  182   HD12  LEU  28          2HD1      LEU  28  -0.045   5.575   0.536
  183   HD13  LEU  28          3HD1      LEU  28  -0.257   4.939  -1.094
  184   HD21  LEU  28          3HD2      LEU  28  -0.367   6.838  -2.791
  185   HD22  LEU  28          1HD2      LEU  28   1.193   7.650  -2.923
  186   HD23  LEU  28          2HD2      LEU  28  -0.127   8.415  -2.038
  187    H    HIS  29           H        HIS  29   4.036   7.509   0.266
  188    HA   HIS  29           HA       HIS  29   4.588   5.046  -0.760
  189    HB2  HIS  29           1HB      HIS  29   6.291   7.232   0.327
  190    HB3  HIS  29           2HB      HIS  29   7.066   5.684   0.004
  191    HD2  HIS  29           HD2      HIS  29   4.536   7.774  -2.232
  192    HE1  HIS  29           HE1      HIS  29   7.929   6.670  -4.529
  193    HE2  HIS  29           HE2      HIS  29   5.736   7.910  -4.520
  194    H    ILE  30           H        ILE  30   5.490   6.124   2.518
  195    HA   ILE  30           HA       ILE  30   6.558   3.693   3.389
  196    HB   ILE  30           HB       ILE  30   5.238   5.902   4.965
  197   HG12  ILE  30          1HG1      ILE  30   7.819   6.070   5.605
  198   HG13  ILE  30          2HG1      ILE  30   8.007   5.308   4.029
  199   HG21  ILE  30          1HG2      ILE  30   6.169   4.939   6.961
  200   HG22  ILE  30          2HG2      ILE  30   5.170   3.728   6.158
  201   HG23  ILE  30          3HG2      ILE  30   6.927   3.646   6.032
  202   HD11  ILE  30          3HD1      ILE  30   7.238   7.138   2.902
  203   HD12  ILE  30          1HD1      ILE  30   6.259   7.701   4.256
  204   HD13  ILE  30          2HD1      ILE  30   8.010   7.910   4.286
  205    H    HIS  31           H        HIS  31   3.247   4.871   3.335
  206    HA   HIS  31           HA       HIS  31   2.129   2.828   4.947
  207    HB2  HIS  31           1HB      HIS  31   0.706   4.637   4.751
  208    HB3  HIS  31           2HB      HIS  31   1.052   4.859   3.039
  209    HD1  HIS  31           HD1      HIS  31  -0.673   2.229   5.193
  210    HD2  HIS  31           HD2      HIS  31  -1.007   4.075   1.485
  211    HE1  HIS  31           HE1      HIS  31  -2.764   1.288   4.159
  212    H    GLN  32           H        GLN  32   2.660   3.151   1.473
  213    HA   GLN  32           HA       GLN  32   1.227   0.874   0.660
  214    HB2  GLN  32           1HB      GLN  32   3.379   2.558  -0.531
  215    HB3  GLN  32           2HB      GLN  32   3.045   0.999  -1.272
  216    HG2  GLN  32           1HG      GLN  32   0.777   2.841  -0.711
  217    HG3  GLN  32           2HG      GLN  32   1.834   3.171  -2.083
  218   HE21  GLN  32          1HE2      GLN  32  -0.141   2.832  -3.316
  219   HE22  GLN  32          2HE2      GLN  32  -0.590   1.222  -3.752
  220    H    GLN  33           H        GLN  33   4.602   1.304   1.629
  221    HA   GLN  33           HA       GLN  33   5.692  -1.118   0.985
  222    HB2  GLN  33           1HB      GLN  33   6.111   0.468   3.524
  223    HB3  GLN  33           2HB      GLN  33   7.154  -0.840   2.982
  224    HG2  GLN  33           1HG      GLN  33   6.634   1.675   1.417
  225    HG3  GLN  33           2HG      GLN  33   8.020   1.424   2.477
  226   HE21  GLN  33          1HE2      GLN  33   9.647   0.023   1.854
  227   HE22  GLN  33          2HE2      GLN  33   9.796  -0.566   0.237
  228    H    SER  34           H        SER  34   3.267  -0.460   3.360
  229    HA   SER  34           HA       SER  34   3.593  -2.952   4.771
  230    HB2  SER  34           1HB      SER  34   1.427  -0.841   4.859
  231    HB3  SER  34           2HB      SER  34   1.451  -2.270   5.893
  232    HG   SER  34           HG       SER  34   3.077  -0.004   5.937
  233    H    HIS  35           H        HIS  35   1.493  -1.664   2.257
  234    HA   HIS  35           HA       HIS  35  -0.419  -3.687   2.162
  235    HB2  HIS  35           1HB      HIS  35   0.630  -1.693   0.213
  236    HB3  HIS  35           2HB      HIS  35  -0.349  -3.015  -0.417
  237    HD1  HIS  35           HD1      HIS  35  -2.705  -3.288   1.152
  238    HD2  HIS  35           HD2      HIS  35  -0.899   0.439   0.815
  239    HE1  HIS  35           HE1      HIS  35  -4.492  -1.619   1.739
  240    H    THR  36           H        THR  36   2.749  -3.476   0.604
  241    HA   THR  36           HA       THR  36   2.775  -5.543  -1.131
  242    HB   THR  36           HB       THR  36   5.133  -5.899  -0.654
  243    HG1  THR  36           HG1      THR  36   4.581  -5.589   1.785
  244   HG21  THR  36          3HG2      THR  36   5.688  -3.923  -1.547
  245   HG22  THR  36          1HG2      THR  36   5.142  -3.036  -0.125
  246   HG23  THR  36          2HG2      THR  36   3.986  -3.492  -1.377
  247    H    GLY  37           H        GLY  37   2.530  -5.784   2.335
  248    HA2  GLY  37           1HA      GLY  37   2.025  -7.572   3.687
  249    HA3  GLY  37           2HA      GLY  37   1.611  -8.460   2.228
  250    H    GLU  38           H        GLU  38   3.111  -9.197   4.728
  251    HA   GLU  38           HA       GLU  38   5.765  -9.795   3.676
  252    HB2  GLU  38           1HB      GLU  38   5.412  -8.967   6.029
  253    HB3  GLU  38           2HB      GLU  38   4.630 -10.501   6.384
  254    HG2  GLU  38           1HG      GLU  38   6.904 -10.573   7.137
  255    HG3  GLU  38           2HG      GLU  38   6.708 -11.672   5.773
  256    H    ARG  39           H        ARG  39   5.831 -11.490   2.343
  257    HA   ARG  39           HA       ARG  39   4.747 -14.034   3.301
  258    HB2  ARG  39           1HB      ARG  39   3.111 -12.992   1.709
  259    HB3  ARG  39           2HB      ARG  39   4.353 -13.070   0.466
  260    HG2  ARG  39           1HG      ARG  39   4.347 -15.437   0.479
  261    HG3  ARG  39           2HG      ARG  39   3.369 -15.492   1.947
  262    HD2  ARG  39           1HD      ARG  39   1.530 -14.387   0.686
  263    HD3  ARG  39           2HD      ARG  39   2.508 -14.524  -0.775
  264    HE   ARG  39           HE       ARG  39   2.395 -17.068   0.166
  265   HH11  ARG  39          1HH1      ARG  39   0.000 -14.659  -0.596
  266   HH12  ARG  39          2HH1      ARG  39  -1.210 -15.815  -1.043
  267   HH21  ARG  39          1HH2      ARG  39   0.810 -18.600  -0.420
  268   HH22  ARG  39          2HH2      ARG  39  -0.748 -18.057  -0.942
  269    H    HIS  40           H        HIS  40   5.872 -15.855   2.614
  270    HA   HIS  40           HA       HIS  40   8.126 -15.513   0.801
  271    HB2  HIS  40           1HB      HIS  40   8.763 -15.064   3.301
  272    HB3  HIS  40           2HB      HIS  40   8.679 -16.817   3.443
  273    HD2  HIS  40           HD2      HIS  40  11.578 -15.364   3.766
  274    HE1  HIS  40           HE1      HIS  40  12.341 -16.897  -0.115
  275    HE2  HIS  40           HE2      HIS  40  13.363 -16.033   2.019
  276    H    SER  41           H        SER  41   7.790 -17.073  -0.634
  277    HA   SER  41           HA       SER  41   6.194 -19.227  -0.584
  278    HB2  SER  41           1HB      SER  41   7.777 -20.348  -2.173
  279    HB3  SER  41           2HB      SER  41   7.427 -18.668  -2.582
  280    HG   SER  41           HG       SER  41   9.649 -19.267  -0.975
  281    H    GLY  42           H        GLY  42   5.910 -20.708   0.948
  282    HA2  GLY  42           1HA      GLY  42   7.158 -22.877   1.595
  283    HA3  GLY  42           2HA      GLY  42   8.268 -21.753   2.364
  284    HA   PRO  43           HA       PRO  43   5.054 -23.028   5.466
  285    HB2  PRO  43           1HB      PRO  43   6.833 -23.591   7.438
  286    HB3  PRO  43           2HB      PRO  43   6.344 -24.774   6.218
  287    HG2  PRO  43           1HG      PRO  43   8.808 -23.076   6.331
  288    HG3  PRO  43           2HG      PRO  43   8.647 -24.788   5.897
  289    HD2  PRO  43           1HD      PRO  43   8.892 -22.832   4.041
  290    HD3  PRO  43           2HD      PRO  43   7.951 -24.309   3.753
  291    H    SER  44           H        SER  44   7.164 -20.538   4.949
  292    HA   SER  44           HA       SER  44   7.173 -19.261   7.492
  293    HB2  SER  44           1HB      SER  44   8.859 -18.711   5.819
  294    HB3  SER  44           2HB      SER  44   7.611 -18.125   4.719
  295    HG   SER  44           HG       SER  44   7.719 -17.001   7.269
  296    H    SER  45           H        SER  45   5.445 -18.479   8.482
  297    HA   SER  45           HA       SER  45   3.221 -17.448   6.855
  298    HB2  SER  45           1HB      SER  45   2.430 -19.212   8.234
  299    HB3  SER  45           2HB      SER  45   3.313 -18.612   9.638
  300    HG   SER  45           HG       SER  45   0.990 -18.149   9.565
  301    H    GLY  46           H        GLY  46   4.092 -15.372   6.540
  302    HA2  GLY  46           1HA      GLY  46   4.214 -13.129   7.040
  303    HA3  GLY  46           2HA      GLY  46   3.435 -13.493   8.573
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -12.934   0.698   7.456
    2    HA2  GLY   1           1HA      GLY   1 -14.442   0.984   9.913
    3    HA3  GLY   1           2HA      GLY   1 -13.289  -0.287   9.536
    4    H    SER   2           H        SER   2 -11.018   1.144   8.970
    5    HA   SER   2           HA       SER   2 -10.327   2.118  11.633
    6    HB2  SER   2           1HB      SER   2  -8.628   1.350   9.251
    7    HB3  SER   2           2HB      SER   2  -7.970   1.981  10.761
    8    HG   SER   2           HG       SER   2  -9.152   0.170  11.770
    9    H    SER   3           H        SER   3  -9.594   4.149  12.075
   10    HA   SER   3           HA       SER   3  -9.601   6.077   9.846
   11    HB2  SER   3           1HB      SER   3 -10.616   7.731  11.286
   12    HB3  SER   3           2HB      SER   3 -11.608   6.274  11.333
   13    HG   SER   3           HG       SER   3 -10.319   7.531  13.347
   14    H    GLY   4           H        GLY   4  -8.476   8.190  10.536
   15    HA2  GLY   4           1HA      GLY   4  -6.113   7.559  12.189
   16    HA3  GLY   4           2HA      GLY   4  -5.941   8.315  10.611
   17    H    SER   5           H        SER   5  -4.824  10.028  11.733
   18    HA   SER   5           HA       SER   5  -6.457  11.719  13.461
   19    HB2  SER   5           1HB      SER   5  -3.959  11.107  13.854
   20    HB3  SER   5           2HB      SER   5  -3.633  12.346  12.641
   21    HG   SER   5           HG       SER   5  -4.301  13.869  13.986
   22    H    SER   6           H        SER   6  -7.311  13.626  12.867
   23    HA   SER   6           HA       SER   6  -7.843  14.283  10.261
   24    HB2  SER   6           1HB      SER   6  -7.755  15.933  12.769
   25    HB3  SER   6           2HB      SER   6  -8.122  16.693  11.220
   26    HG   SER   6           HG       SER   6  -9.741  14.892  11.058
   27    H    GLY   7           H        GLY   7  -6.221  14.331   8.788
   28    HA2  GLY   7           1HA      GLY   7  -3.756  15.752   9.319
   29    HA3  GLY   7           2HA      GLY   7  -4.174  14.899   7.840
   30    H    THR   8           H        THR   8  -3.460  17.845   9.006
   31    HA   THR   8           HA       THR   8  -5.389  19.367   7.453
   32    HB   THR   8           HB       THR   8  -2.998  20.372   9.007
   33    HG1  THR   8           HG1      THR   8  -5.708  19.936   9.738
   34   HG21  THR   8          3HG2      THR   8  -5.196  22.204   8.774
   35   HG22  THR   8          1HG2      THR   8  -4.694  21.666   7.172
   36   HG23  THR   8          2HG2      THR   8  -3.521  22.406   8.262
   37    H    GLY   9           H        GLY   9  -5.057  20.146   5.461
   38    HA2  GLY   9           1HA      GLY   9  -3.340  21.271   4.007
   39    HA3  GLY   9           2HA      GLY   9  -2.342  19.861   4.330
   40    H    GLU  10           H        GLU  10  -2.534  20.210   1.807
   41    HA   GLU  10           HA       GLU  10  -4.907  18.946   0.703
   42    HB2  GLU  10           1HB      GLU  10  -2.454  20.188  -0.528
   43    HB3  GLU  10           2HB      GLU  10  -3.631  19.302  -1.487
   44    HG2  GLU  10           1HG      GLU  10  -5.337  20.924  -0.358
   45    HG3  GLU  10           2HG      GLU  10  -3.906  21.919  -0.095
   46    H    LYS  11           H        LYS  11  -5.007  16.932  -0.170
   47    HA   LYS  11           HA       LYS  11  -2.584  15.267   0.045
   48    HB2  LYS  11           1HB      LYS  11  -4.037  13.368   0.597
   49    HB3  LYS  11           2HB      LYS  11  -4.203  14.666   1.772
   50    HG2  LYS  11           1HG      LYS  11  -6.200  15.360   0.184
   51    HG3  LYS  11           2HG      LYS  11  -6.149  13.641  -0.217
   52    HD2  LYS  11           1HD      LYS  11  -7.614  13.640   1.559
   53    HD3  LYS  11           2HD      LYS  11  -6.082  13.346   2.385
   54    HE2  LYS  11           1HE      LYS  11  -6.975  16.159   1.997
   55    HE3  LYS  11           2HE      LYS  11  -7.778  15.185   3.228
   56    HZ1  LYS  11           3HZ      LYS  11  -5.488  14.676   4.085
   57    HZ2  LYS  11           1HZ      LYS  11  -6.001  16.275   4.289
   58    HZ3  LYS  11           2HZ      LYS  11  -4.906  15.889   3.060
   59    HA   PRO  12           HA       PRO  12  -4.003  15.267  -4.366
   60    HB2  PRO  12           1HB      PRO  12  -1.504  15.485  -5.406
   61    HB3  PRO  12           2HB      PRO  12  -2.469  16.885  -4.920
   62    HG2  PRO  12           1HG      PRO  12  -0.270  15.493  -3.439
   63    HG3  PRO  12           2HG      PRO  12  -0.569  17.231  -3.623
   64    HD2  PRO  12           1HD      PRO  12  -1.251  15.864  -1.388
   65    HD3  PRO  12           2HD      PRO  12  -2.183  17.255  -1.978
   66    H    TYR  13           H        TYR  13  -2.310  13.270  -2.299
   67    HA   TYR  13           HA       TYR  13  -1.972  11.207  -4.377
   68    HB2  TYR  13           1HB      TYR  13  -0.593  11.217  -1.695
   69    HB3  TYR  13           2HB      TYR  13  -0.204  10.247  -3.111
   70    HD1  TYR  13           HD1      TYR  13   0.433  11.664  -5.260
   71    HD2  TYR  13           HD2      TYR  13   0.703  13.076  -1.256
   72    HE1  TYR  13           HE1      TYR  13   2.071  13.354  -5.973
   73    HE2  TYR  13           HE2      TYR  13   2.341  14.771  -1.958
   74    HH   TYR  13           HH       TYR  13   3.702  15.431  -3.636
   75    H    LYS  14           H        LYS  14  -3.047   9.330  -4.178
   76    HA   LYS  14           HA       LYS  14  -4.272   8.625  -1.621
   77    HB2  LYS  14           1HB      LYS  14  -5.821   9.982  -3.288
   78    HB3  LYS  14           2HB      LYS  14  -5.990   8.408  -4.053
   79    HG2  LYS  14           1HG      LYS  14  -6.435   8.703  -1.114
   80    HG3  LYS  14           2HG      LYS  14  -7.700   9.150  -2.261
   81    HD2  LYS  14           1HD      LYS  14  -6.352   6.494  -2.504
   82    HD3  LYS  14           2HD      LYS  14  -7.608   6.728  -1.286
   83    HE2  LYS  14           1HE      LYS  14  -9.258   7.061  -2.861
   84    HE3  LYS  14           2HE      LYS  14  -8.117   7.585  -4.099
   85    HZ1  LYS  14           3HZ      LYS  14  -8.456   5.526  -4.886
   86    HZ2  LYS  14           1HZ      LYS  14  -8.992   4.913  -3.403
   87    HZ3  LYS  14           2HZ      LYS  14  -7.335   5.064  -3.706
   88    H    CYS  15           H        CYS  15  -3.533   6.648  -1.235
   89    HA   CYS  15           HA       CYS  15  -2.357   4.897  -2.988
   90    HB2  CYS  15           1HB      CYS  15  -2.148   4.501  -0.646
   91    HB3  CYS  15           2HB      CYS  15  -3.891   4.357  -0.446
   92    H    SER  16           H        SER  16  -3.059   3.789  -4.679
   93    HA   SER  16           HA       SER  16  -5.920   3.482  -5.111
   94    HB2  SER  16           1HB      SER  16  -3.552   2.895  -6.904
   95    HB3  SER  16           2HB      SER  16  -5.240   2.710  -7.380
   96    HG   SER  16           HG       SER  16  -3.998   5.123  -6.544
   97    H    ASP  17           H        ASP  17  -5.014   1.935  -3.008
   98    HA   ASP  17           HA       ASP  17  -5.355  -0.770  -4.112
   99    HB2  ASP  17           1HB      ASP  17  -2.964  -0.203  -3.322
  100    HB3  ASP  17           2HB      ASP  17  -3.636  -0.254  -1.695
  101    H    CYS  18           H        CYS  18  -5.409   1.130  -1.097
  102    HA   CYS  18           HA       CYS  18  -7.713  -0.485  -0.225
  103    HB2  CYS  18           1HB      CYS  18  -7.110   0.194   2.077
  104    HB3  CYS  18           2HB      CYS  18  -5.817  -0.698   1.283
  105    H    GLY  19           H        GLY  19  -6.377   2.813  -0.171
  106    HA2  GLY  19           1HA      GLY  19  -7.971   4.537  -1.036
  107    HA3  GLY  19           2HA      GLY  19  -9.150   3.812   0.047
  108    H    LYS  20           H        LYS  20  -5.785   4.967   0.320
  109    HA   LYS  20           HA       LYS  20  -6.638   6.565   2.643
  110    HB2  LYS  20           1HB      LYS  20  -4.356   4.677   2.340
  111    HB3  LYS  20           2HB      LYS  20  -4.085   6.135   3.284
  112    HG2  LYS  20           1HG      LYS  20  -5.715   5.545   4.866
  113    HG3  LYS  20           2HG      LYS  20  -6.402   4.304   3.816
  114    HD2  LYS  20           1HD      LYS  20  -4.188   3.104   3.989
  115    HD3  LYS  20           2HD      LYS  20  -3.756   4.256   5.255
  116    HE2  LYS  20           1HE      LYS  20  -5.507   3.501   6.661
  117    HE3  LYS  20           2HE      LYS  20  -6.255   2.583   5.355
  118    HZ1  LYS  20           3HZ      LYS  20  -3.520   1.857   6.003
  119    HZ2  LYS  20           1HZ      LYS  20  -4.846   0.872   5.633
  120    HZ3  LYS  20           2HZ      LYS  20  -4.669   1.502   7.193
  121    H    ALA  21           H        ALA  21  -6.461   8.651   2.192
  122    HA   ALA  21           HA       ALA  21  -4.621   9.562   0.133
  123    HB1  ALA  21           3HB      ALA  21  -6.914  10.794   1.598
  124    HB2  ALA  21           1HB      ALA  21  -5.748  11.821   0.764
  125    HB3  ALA  21           2HB      ALA  21  -6.659  10.609  -0.137
  126    H    PHE  22           H        PHE  22  -2.866  10.856   0.453
  127    HA   PHE  22           HA       PHE  22  -2.179  11.511   3.242
  128    HB2  PHE  22           1HB      PHE  22  -0.248  10.623   1.089
  129    HB3  PHE  22           2HB      PHE  22   0.158  11.015   2.757
  130    HD1  PHE  22           HD1      PHE  22  -1.711   8.633   0.632
  131    HD2  PHE  22           HD2      PHE  22   0.004   9.403   4.451
  132    HE1  PHE  22           HE1      PHE  22  -2.081   6.285   1.268
  133    HE2  PHE  22           HE2      PHE  22  -0.363   7.056   5.093
  134    HZ   PHE  22           HZ       PHE  22  -1.405   5.493   3.500
  135    H    THR  23           H        THR  23  -0.880  13.381   3.556
  136    HA   THR  23           HA       THR  23  -1.492  15.494   1.705
  137    HB   THR  23           HB       THR  23  -0.348  16.969   3.310
  138    HG1  THR  23           HG1      THR  23   0.344  14.488   4.504
  139   HG21  THR  23          3HG2      THR  23  -2.389  16.966   4.220
  140   HG22  THR  23          1HG2      THR  23  -1.775  15.791   5.383
  141   HG23  THR  23          2HG2      THR  23  -2.595  15.240   3.922
  142    H    ARG  24           H        ARG  24   1.430  13.803   2.769
  143    HA   ARG  24           HA       ARG  24   2.884  15.086   0.549
  144    HB2  ARG  24           1HB      ARG  24   4.162  13.971   3.042
  145    HB3  ARG  24           2HB      ARG  24   4.896  14.998   1.818
  146    HG2  ARG  24           1HG      ARG  24   3.629  16.884   2.528
  147    HG3  ARG  24           2HG      ARG  24   2.637  15.886   3.592
  148    HD2  ARG  24           1HD      ARG  24   4.113  16.782   5.102
  149    HD3  ARG  24           2HD      ARG  24   4.948  15.289   4.674
  150    HE   ARG  24           HE       ARG  24   6.589  16.530   3.649
  151   HH11  ARG  24          1HH1      ARG  24   3.858  18.566   4.369
  152   HH12  ARG  24          2HH1      ARG  24   4.689  20.037   3.987
  153   HH21  ARG  24          1HH2      ARG  24   7.693  18.460   3.142
  154   HH22  ARG  24          2HH2      ARG  24   6.870  19.976   3.288
  155    H    LYS  25           H        LYS  25   4.099  13.812  -0.799
  156    HA   LYS  25           HA       LYS  25   3.332  11.305  -1.470
  157    HB2  LYS  25           1HB      LYS  25   5.962  12.711  -1.748
  158    HB3  LYS  25           2HB      LYS  25   5.819  11.036  -2.264
  159    HG2  LYS  25           1HG      LYS  25   3.711  11.971  -3.542
  160    HG3  LYS  25           2HG      LYS  25   4.603  13.489  -3.411
  161    HD2  LYS  25           1HD      LYS  25   6.024  11.045  -4.364
  162    HD3  LYS  25           2HD      LYS  25   4.949  11.901  -5.473
  163    HE2  LYS  25           1HE      LYS  25   6.946  13.473  -3.922
  164    HE3  LYS  25           2HE      LYS  25   7.510  12.511  -5.287
  165    HZ1  LYS  25           3HZ      LYS  25   5.362  13.767  -6.314
  166    HZ2  LYS  25           1HZ      LYS  25   6.959  14.300  -6.479
  167    HZ3  LYS  25           2HZ      LYS  25   5.972  14.948  -5.268
  168    H    SER  26           H        SER  26   5.933  12.100   0.815
  169    HA   SER  26           HA       SER  26   6.860   9.574   1.397
  170    HB2  SER  26           1HB      SER  26   7.520  11.968   2.318
  171    HB3  SER  26           2HB      SER  26   6.488  11.486   3.664
  172    HG   SER  26           HG       SER  26   7.911   9.422   3.370
  173    H    GLY  27           H        GLY  27   4.322  11.313   3.213
  174    HA2  GLY  27           1HA      GLY  27   3.558   9.445   5.021
  175    HA3  GLY  27           2HA      GLY  27   2.403  10.489   4.205
  176    H    LEU  28           H        LEU  28   2.938   9.326   1.573
  177    HA   LEU  28           HA       LEU  28   1.199   7.015   1.844
  178    HB2  LEU  28           1HB      LEU  28   0.524   8.508   0.160
  179    HB3  LEU  28           2HB      LEU  28   2.160   8.653  -0.480
  180    HG   LEU  28           HG       LEU  28   1.978   6.272  -1.242
  181   HD11  LEU  28          1HD1      LEU  28  -0.347   5.391  -1.464
  182   HD12  LEU  28          2HD1      LEU  28  -0.878   6.670  -0.373
  183   HD13  LEU  28          3HD1      LEU  28   0.259   5.446   0.191
  184   HD21  LEU  28          3HD2      LEU  28   0.923   8.635  -2.362
  185   HD22  LEU  28          1HD2      LEU  28  -0.213   7.338  -2.731
  186   HD23  LEU  28          2HD2      LEU  28   1.481   7.187  -3.200
  187    H    HIS  29           H        HIS  29   4.379   7.785   0.463
  188    HA   HIS  29           HA       HIS  29   5.102   5.389  -0.627
  189    HB2  HIS  29           1HB      HIS  29   6.632   7.542   0.761
  190    HB3  HIS  29           2HB      HIS  29   7.470   6.037   0.391
  191    HD2  HIS  29           HD2      HIS  29   5.065   8.182  -1.925
  192    HE1  HIS  29           HE1      HIS  29   8.726   7.440  -3.937
  193    HE2  HIS  29           HE2      HIS  29   6.471   8.555  -4.064
  194    H    ILE  30           H        ILE  30   5.738   6.323   2.758
  195    HA   ILE  30           HA       ILE  30   6.745   3.882   3.624
  196    HB   ILE  30           HB       ILE  30   5.253   6.030   5.118
  197   HG12  ILE  30          1HG1      ILE  30   7.717   6.057   6.135
  198   HG13  ILE  30          2HG1      ILE  30   8.102   5.348   4.570
  199   HG21  ILE  30          1HG2      ILE  30   6.475   4.722   7.099
  200   HG22  ILE  30          2HG2      ILE  30   4.820   4.372   6.601
  201   HG23  ILE  30          3HG2      ILE  30   6.146   3.360   6.028
  202   HD11  ILE  30          3HD1      ILE  30   7.705   7.265   3.456
  203   HD12  ILE  30          1HD1      ILE  30   6.399   7.754   4.535
  204   HD13  ILE  30          2HD1      ILE  30   8.079   7.975   5.026
  205    H    HIS  31           H        HIS  31   3.413   4.984   3.337
  206    HA   HIS  31           HA       HIS  31   2.199   2.845   4.719
  207    HB2  HIS  31           1HB      HIS  31   0.811   4.698   4.388
  208    HB3  HIS  31           2HB      HIS  31   1.235   4.832   2.684
  209    HD1  HIS  31           HD1      HIS  31  -0.608   2.375   4.936
  210    HD2  HIS  31           HD2      HIS  31  -0.669   3.834   1.046
  211    HE1  HIS  31           HE1      HIS  31  -2.612   1.313   3.851
  212    H    GLN  32           H        GLN  32   2.826   3.357   1.258
  213    HA   GLN  32           HA       GLN  32   1.650   1.259   0.065
  214    HB2  GLN  32           1HB      GLN  32   4.388   2.417  -0.351
  215    HB3  GLN  32           2HB      GLN  32   3.832   1.071  -1.336
  216    HG2  GLN  32           1HG      GLN  32   2.130   3.504  -1.073
  217    HG3  GLN  32           2HG      GLN  32   3.522   3.520  -2.154
  218   HE21  GLN  32          1HE2      GLN  32   0.888   3.829  -3.017
  219   HE22  GLN  32          2HE2      GLN  32   0.466   2.470  -3.997
  220    H    GLN  33           H        GLN  33   4.676   1.072   1.906
  221    HA   GLN  33           HA       GLN  33   5.519  -1.457   1.511
  222    HB2  GLN  33           1HB      GLN  33   5.338   0.148   4.041
  223    HB3  GLN  33           2HB      GLN  33   6.001  -1.480   4.065
  224    HG2  GLN  33           1HG      GLN  33   7.066   0.436   2.064
  225    HG3  GLN  33           2HG      GLN  33   7.528   0.642   3.753
  226   HE21  GLN  33          1HE2      GLN  33   8.242  -1.453   4.824
  227   HE22  GLN  33          2HE2      GLN  33   9.308  -2.454   3.904
  228    H    SER  34           H        SER  34   2.987  -0.590   3.866
  229    HA   SER  34           HA       SER  34   2.294  -2.922   4.968
  230    HB2  SER  34           1HB      SER  34   0.394  -0.893   3.773
  231    HB3  SER  34           2HB      SER  34  -0.111  -2.191   4.856
  232    HG   SER  34           HG       SER  34   0.253  -0.404   6.110
  233    H    HIS  35           H        HIS  35   1.409  -1.968   1.671
  234    HA   HIS  35           HA       HIS  35   0.156  -4.530   1.158
  235    HB2  HIS  35           1HB      HIS  35   0.756  -2.365  -0.858
  236    HB3  HIS  35           2HB      HIS  35  -0.455  -3.639  -0.970
  237    HD1  HIS  35           HD1      HIS  35  -2.309  -3.426   1.145
  238    HD2  HIS  35           HD2      HIS  35  -0.338  -0.007  -0.152
  239    HE1  HIS  35           HE1      HIS  35  -3.717  -1.498   1.935
  240    H    THR  36           H        THR  36   2.584  -5.206   1.867
  241    HA   THR  36           HA       THR  36   4.184  -5.517  -0.579
  242    HB   THR  36           HB       THR  36   5.383  -4.553   1.333
  243    HG1  THR  36           HG1      THR  36   6.238  -6.371  -0.196
  244   HG21  THR  36          3HG2      THR  36   5.910  -6.272   3.211
  245   HG22  THR  36          1HG2      THR  36   4.410  -7.039   2.692
  246   HG23  THR  36          2HG2      THR  36   4.394  -5.373   3.268
  247    H    GLY  37           H        GLY  37   1.992  -7.169   1.345
  248    HA2  GLY  37           1HA      GLY  37   1.182  -9.327   0.982
  249    HA3  GLY  37           2HA      GLY  37   2.587  -9.659  -0.021
  250    H    GLU  38           H        GLU  38   4.695  -9.835   1.196
  251    HA   GLU  38           HA       GLU  38   4.523 -11.886   3.088
  252    HB2  GLU  38           1HB      GLU  38   6.738 -10.072   2.196
  253    HB3  GLU  38           2HB      GLU  38   6.992 -11.177   3.540
  254    HG2  GLU  38           1HG      GLU  38   6.831 -13.048   2.214
  255    HG3  GLU  38           2HG      GLU  38   5.892 -12.219   0.974
  256    H    ARG  39           H        ARG  39   3.260 -11.383   4.844
  257    HA   ARG  39           HA       ARG  39   3.499  -8.990   6.344
  258    HB2  ARG  39           1HB      ARG  39   1.555 -10.717   6.243
  259    HB3  ARG  39           2HB      ARG  39   2.453 -11.554   7.501
  260    HG2  ARG  39           1HG      ARG  39   2.438  -9.237   8.680
  261    HG3  ARG  39           2HG      ARG  39   1.088  -8.905   7.594
  262    HD2  ARG  39           1HD      ARG  39   1.205 -11.364   9.319
  263    HD3  ARG  39           2HD      ARG  39   0.522  -9.842   9.892
  264    HE   ARG  39           HE       ARG  39  -0.793 -10.271   7.569
  265   HH11  ARG  39          1HH1      ARG  39  -0.225 -12.229  10.391
  266   HH12  ARG  39          2HH1      ARG  39  -1.708 -13.111  10.238
  267   HH21  ARG  39          1HH2      ARG  39  -2.749 -11.426   7.356
  268   HH22  ARG  39          2HH2      ARG  39  -3.142 -12.654   8.511
  269    H    HIS  40           H        HIS  40   4.497 -12.327   7.123
  270    HA   HIS  40           HA       HIS  40   6.495 -11.192   8.968
  271    HB2  HIS  40           1HB      HIS  40   5.047 -13.844   9.067
  272    HB3  HIS  40           2HB      HIS  40   6.394 -13.422  10.120
  273    HD2  HIS  40           HD2      HIS  40   5.701 -10.812  11.548
  274    HE1  HIS  40           HE1      HIS  40   1.678 -12.117  11.878
  275    HE2  HIS  40           HE2      HIS  40   3.391 -10.441  12.651
  276    H    SER  41           H        SER  41   8.286 -12.996   9.367
  277    HA   SER  41           HA       SER  41  10.023 -13.030   7.311
  278    HB2  SER  41           1HB      SER  41  10.178 -14.036   9.751
  279    HB3  SER  41           2HB      SER  41   9.856 -15.553   8.911
  280    HG   SER  41           HG       SER  41  12.163 -14.488   9.183
  281    H    GLY  42           H        GLY  42  10.745 -14.679   5.794
  282    HA2  GLY  42           1HA      GLY  42   8.460 -16.213   4.717
  283    HA3  GLY  42           2HA      GLY  42   9.711 -15.484   3.720
  284    HA   PRO  43           HA       PRO  43  10.657 -19.997   4.907
  285    HB2  PRO  43           1HB      PRO  43  10.071 -21.162   2.525
  286    HB3  PRO  43           2HB      PRO  43   8.887 -20.985   3.825
  287    HG2  PRO  43           1HG      PRO  43   9.278 -19.308   1.376
  288    HG3  PRO  43           2HG      PRO  43   7.769 -19.889   2.105
  289    HD2  PRO  43           1HD      PRO  43   8.683 -17.365   2.463
  290    HD3  PRO  43           2HD      PRO  43   7.757 -18.231   3.706
  291    H    SER  44           H        SER  44  11.539 -17.622   2.687
  292    HA   SER  44           HA       SER  44  13.364 -18.754   0.986
  293    HB2  SER  44           1HB      SER  44  13.415 -16.107   2.431
  294    HB3  SER  44           2HB      SER  44  14.649 -16.550   1.252
  295    HG   SER  44           HG       SER  44  11.903 -16.710   0.628
  296    H    SER  45           H        SER  45  15.697 -18.915   1.064
  297    HA   SER  45           HA       SER  45  16.751 -20.575   2.887
  298    HB2  SER  45           1HB      SER  45  18.933 -19.930   2.183
  299    HB3  SER  45           2HB      SER  45  17.876 -19.644   0.801
  300    HG   SER  45           HG       SER  45  17.979 -17.489   1.154
  301    H    GLY  46           H        GLY  46  17.959 -20.459   4.805
  302    HA2  GLY  46           1HA      GLY  46  18.993 -19.115   6.552
  303    HA3  GLY  46           2HA      GLY  46  17.758 -17.898   6.260
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -30.792   9.653   7.351
    2    HA2  GLY   1           1HA      GLY   1 -31.364   7.102   8.357
    3    HA3  GLY   1           2HA      GLY   1 -31.255   6.975   6.607
    4    H    SER   2           H        SER   2 -29.237   8.896   6.171
    5    HA   SER   2           HA       SER   2 -26.943   7.771   7.628
    6    HB2  SER   2           1HB      SER   2 -27.019   6.612   5.502
    7    HB3  SER   2           2HB      SER   2 -27.176   8.138   4.632
    8    HG   SER   2           HG       SER   2 -24.939   6.935   5.710
    9    H    SER   3           H        SER   3 -25.396   9.199   8.203
   10    HA   SER   3           HA       SER   3 -25.946  12.013   7.708
   11    HB2  SER   3           1HB      SER   3 -23.978  10.628   9.542
   12    HB3  SER   3           2HB      SER   3 -24.138  12.379   9.409
   13    HG   SER   3           HG       SER   3 -25.397  11.651  11.118
   14    H    GLY   4           H        GLY   4 -23.157   9.805   7.447
   15    HA2  GLY   4           1HA      GLY   4 -21.915   9.826   5.328
   16    HA3  GLY   4           2HA      GLY   4 -22.114  11.572   5.321
   17    H    SER   5           H        SER   5 -19.748  11.497   5.013
   18    HA   SER   5           HA       SER   5 -18.399  11.432   7.625
   19    HB2  SER   5           1HB      SER   5 -16.398  10.481   6.591
   20    HB3  SER   5           2HB      SER   5 -17.777   9.410   6.343
   21    HG   SER   5           HG       SER   5 -17.903  10.823   4.269
   22    H    SER   6           H        SER   6 -17.778  13.427   8.087
   23    HA   SER   6           HA       SER   6 -17.473  15.441   6.071
   24    HB2  SER   6           1HB      SER   6 -17.204  15.375   9.059
   25    HB3  SER   6           2HB      SER   6 -16.613  16.769   8.155
   26    HG   SER   6           HG       SER   6 -19.249  15.770   8.336
   27    H    GLY   7           H        GLY   7 -15.644  16.307   5.226
   28    HA2  GLY   7           1HA      GLY   7 -13.270  16.801   5.409
   29    HA3  GLY   7           2HA      GLY   7 -13.070  15.249   6.207
   30    H    THR   8           H        THR   8 -14.409  16.480   3.138
   31    HA   THR   8           HA       THR   8 -14.215  14.266   1.576
   32    HB   THR   8           HB       THR   8 -13.677  15.829  -0.353
   33    HG1  THR   8           HG1      THR   8 -14.125  17.952   1.437
   34   HG21  THR   8          3HG2      THR   8 -15.860  17.277   0.333
   35   HG22  THR   8          1HG2      THR   8 -15.998  15.928   1.460
   36   HG23  THR   8          2HG2      THR   8 -15.926  15.623  -0.276
   37    H    GLY   9           H        GLY   9 -12.611  13.753  -0.170
   38    HA2  GLY   9           1HA      GLY   9  -9.914  13.772   1.005
   39    HA3  GLY   9           2HA      GLY   9 -10.510  12.605  -0.167
   40    H    GLU  10           H        GLU  10  -9.945  16.114   0.120
   41    HA   GLU  10           HA       GLU  10  -9.461  16.313  -2.729
   42    HB2  GLU  10           1HB      GLU  10  -9.246  18.694  -2.345
   43    HB3  GLU  10           2HB      GLU  10 -10.673  18.093  -1.512
   44    HG2  GLU  10           1HG      GLU  10  -8.050  18.422  -0.103
   45    HG3  GLU  10           2HG      GLU  10  -9.185  19.758  -0.285
   46    H    LYS  11           H        LYS  11  -7.656  14.620  -1.341
   47    HA   LYS  11           HA       LYS  11  -5.168  16.143  -1.174
   48    HB2  LYS  11           1HB      LYS  11  -6.009  13.390  -0.342
   49    HB3  LYS  11           2HB      LYS  11  -4.301  13.747  -0.564
   50    HG2  LYS  11           1HG      LYS  11  -4.219  15.165   1.232
   51    HG3  LYS  11           2HG      LYS  11  -5.936  15.565   1.133
   52    HD2  LYS  11           1HD      LYS  11  -5.017  12.802   1.859
   53    HD3  LYS  11           2HD      LYS  11  -5.140  14.076   3.075
   54    HE2  LYS  11           1HE      LYS  11  -7.524  14.412   2.230
   55    HE3  LYS  11           2HE      LYS  11  -7.322  12.874   1.393
   56    HZ1  LYS  11           3HZ      LYS  11  -7.060  13.300   4.321
   57    HZ2  LYS  11           1HZ      LYS  11  -6.852  11.824   3.521
   58    HZ3  LYS  11           2HZ      LYS  11  -8.371  12.568   3.540
   59    HA   PRO  12           HA       PRO  12  -3.849  15.031  -5.223
   60    HB2  PRO  12           1HB      PRO  12  -1.164  15.246  -4.881
   61    HB3  PRO  12           2HB      PRO  12  -2.235  16.648  -4.980
   62    HG2  PRO  12           1HG      PRO  12  -1.077  15.316  -2.563
   63    HG3  PRO  12           2HG      PRO  12  -1.236  17.046  -2.919
   64    HD2  PRO  12           1HD      PRO  12  -2.950  15.732  -1.286
   65    HD3  PRO  12           2HD      PRO  12  -3.456  17.098  -2.300
   66    H    TYR  13           H        TYR  13  -2.255  13.457  -2.474
   67    HA   TYR  13           HA       TYR  13  -1.577  11.161  -4.150
   68    HB2  TYR  13           1HB      TYR  13  -0.903  11.584  -1.237
   69    HB3  TYR  13           2HB      TYR  13  -0.175  10.428  -2.346
   70    HD1  TYR  13           HD1      TYR  13   1.174  11.345  -4.308
   71    HD2  TYR  13           HD2      TYR  13   0.002  13.731  -0.985
   72    HE1  TYR  13           HE1      TYR  13   2.918  12.983  -4.876
   73    HE2  TYR  13           HE2      TYR  13   1.743  15.376  -1.545
   74    HH   TYR  13           HH       TYR  13   3.757  15.585  -2.753
   75    H    LYS  14           H        LYS  14  -2.221   9.041  -3.633
   76    HA   LYS  14           HA       LYS  14  -4.024   8.472  -1.497
   77    HB2  LYS  14           1HB      LYS  14  -5.441   9.723  -3.226
   78    HB3  LYS  14           2HB      LYS  14  -5.244   8.305  -4.247
   79    HG2  LYS  14           1HG      LYS  14  -6.104   7.076  -2.063
   80    HG3  LYS  14           2HG      LYS  14  -6.827   8.658  -1.767
   81    HD2  LYS  14           1HD      LYS  14  -8.183   8.535  -3.633
   82    HD3  LYS  14           2HD      LYS  14  -7.129   7.377  -4.449
   83    HE2  LYS  14           1HE      LYS  14  -7.924   5.585  -3.192
   84    HE3  LYS  14           2HE      LYS  14  -8.561   6.632  -1.925
   85    HZ1  LYS  14           3HZ      LYS  14 -10.244   7.411  -3.509
   86    HZ2  LYS  14           1HZ      LYS  14 -10.352   5.744  -3.238
   87    HZ3  LYS  14           2HZ      LYS  14  -9.659   6.325  -4.667
   88    H    CYS  15           H        CYS  15  -4.282   6.284  -1.174
   89    HA   CYS  15           HA       CYS  15  -2.463   4.585  -2.639
   90    HB2  CYS  15           1HB      CYS  15  -2.516   4.301  -0.259
   91    HB3  CYS  15           2HB      CYS  15  -4.265   4.096  -0.265
   92    H    SER  16           H        SER  16  -3.092   3.800  -4.540
   93    HA   SER  16           HA       SER  16  -5.871   3.310  -5.136
   94    HB2  SER  16           1HB      SER  16  -4.069   4.180  -6.764
   95    HB3  SER  16           2HB      SER  16  -3.551   2.498  -6.879
   96    HG   SER  16           HG       SER  16  -5.064   3.013  -8.501
   97    H    ASP  17           H        ASP  17  -5.059   1.745  -2.999
   98    HA   ASP  17           HA       ASP  17  -5.271  -0.943  -4.170
   99    HB2  ASP  17           1HB      ASP  17  -2.941  -0.340  -3.237
  100    HB3  ASP  17           2HB      ASP  17  -3.702  -0.443  -1.651
  101    H    CYS  18           H        CYS  18  -5.531   0.890  -1.125
  102    HA   CYS  18           HA       CYS  18  -7.854  -0.781  -0.424
  103    HB2  CYS  18           1HB      CYS  18  -7.383  -0.286   1.911
  104    HB3  CYS  18           2HB      CYS  18  -5.949  -0.960   1.143
  105    H    GLY  19           H        GLY  19  -6.560   2.525  -0.256
  106    HA2  GLY  19           1HA      GLY  19  -8.166   4.232  -1.155
  107    HA3  GLY  19           2HA      GLY  19  -9.346   3.495  -0.082
  108    H    LYS  20           H        LYS  20  -6.012   4.738   0.179
  109    HA   LYS  20           HA       LYS  20  -6.894   6.304   2.512
  110    HB2  LYS  20           1HB      LYS  20  -5.378   4.179   2.876
  111    HB3  LYS  20           2HB      LYS  20  -4.095   5.262   2.352
  112    HG2  LYS  20           1HG      LYS  20  -4.530   6.762   4.162
  113    HG3  LYS  20           2HG      LYS  20  -5.974   5.859   4.625
  114    HD2  LYS  20           1HD      LYS  20  -4.356   3.862   4.897
  115    HD3  LYS  20           2HD      LYS  20  -3.090   5.092   4.917
  116    HE2  LYS  20           1HE      LYS  20  -4.448   6.232   6.741
  117    HE3  LYS  20           2HE      LYS  20  -5.384   4.741   6.830
  118    HZ1  LYS  20           3HZ      LYS  20  -2.442   4.909   7.195
  119    HZ2  LYS  20           1HZ      LYS  20  -3.403   3.530   7.388
  120    HZ3  LYS  20           2HZ      LYS  20  -3.566   4.831   8.457
  121    H    ALA  21           H        ALA  21  -6.642   8.407   2.203
  122    HA   ALA  21           HA       ALA  21  -4.864   9.351   0.092
  123    HB1  ALA  21           3HB      ALA  21  -6.029  11.424   0.216
  124    HB2  ALA  21           1HB      ALA  21  -7.236  10.139   0.275
  125    HB3  ALA  21           2HB      ALA  21  -6.773  10.984   1.753
  126    H    PHE  22           H        PHE  22  -3.299  10.979   0.421
  127    HA   PHE  22           HA       PHE  22  -2.520  11.490   3.202
  128    HB2  PHE  22           1HB      PHE  22  -0.612  10.600   1.030
  129    HB3  PHE  22           2HB      PHE  22  -0.166  11.051   2.672
  130    HD1  PHE  22           HD1      PHE  22  -2.284   8.640   0.790
  131    HD2  PHE  22           HD2      PHE  22  -0.014   9.424   4.304
  132    HE1  PHE  22           HE1      PHE  22  -2.597   6.307   1.509
  133    HE2  PHE  22           HE2      PHE  22  -0.322   7.092   5.028
  134    HZ   PHE  22           HZ       PHE  22  -1.615   5.530   3.629
  135    H    THR  23           H        THR  23  -0.654  13.163   3.217
  136    HA   THR  23           HA       THR  23  -1.360  15.280   1.295
  137    HB   THR  23           HB       THR  23  -0.285  15.542   4.110
  138    HG1  THR  23           HG1      THR  23  -2.743  16.583   3.221
  139   HG21  THR  23          3HG2      THR  23  -0.935  18.011   3.617
  140   HG22  THR  23          1HG2      THR  23  -0.755  17.539   1.928
  141   HG23  THR  23          2HG2      THR  23   0.611  17.394   3.035
  142    H    ARG  24           H        ARG  24   1.290  13.620   2.901
  143    HA   ARG  24           HA       ARG  24   3.207  15.086   1.221
  144    HB2  ARG  24           1HB      ARG  24   4.835  13.805   2.880
  145    HB3  ARG  24           2HB      ARG  24   4.075  15.327   3.322
  146    HG2  ARG  24           1HG      ARG  24   2.363  14.150   4.563
  147    HG3  ARG  24           2HG      ARG  24   3.040  12.599   4.062
  148    HD2  ARG  24           1HD      ARG  24   4.534  14.672   5.660
  149    HD3  ARG  24           2HD      ARG  24   3.683  13.298   6.365
  150    HE   ARG  24           HE       ARG  24   5.621  12.582   4.359
  151   HH11  ARG  24          1HH1      ARG  24   5.078  13.231   7.736
  152   HH12  ARG  24          2HH1      ARG  24   6.451  12.317   8.266
  153   HH21  ARG  24          1HH2      ARG  24   7.431  11.376   5.044
  154   HH22  ARG  24          2HH2      ARG  24   7.789  11.263   6.734
  155    H    LYS  25           H        LYS  25   4.576  14.022  -0.152
  156    HA   LYS  25           HA       LYS  25   3.774  11.714  -1.411
  157    HB2  LYS  25           1HB      LYS  25   5.394  13.226  -2.402
  158    HB3  LYS  25           2HB      LYS  25   6.572  12.832  -1.157
  159    HG2  LYS  25           1HG      LYS  25   7.272  11.592  -2.986
  160    HG3  LYS  25           2HG      LYS  25   6.374  10.421  -2.017
  161    HD2  LYS  25           1HD      LYS  25   5.455   9.994  -4.062
  162    HD3  LYS  25           2HD      LYS  25   4.365  11.273  -3.522
  163    HE2  LYS  25           1HE      LYS  25   6.831  11.775  -5.178
  164    HE3  LYS  25           2HE      LYS  25   5.233  11.508  -5.872
  165    HZ1  LYS  25           3HZ      LYS  25   4.650  13.417  -4.152
  166    HZ2  LYS  25           1HZ      LYS  25   5.181  13.749  -5.724
  167    HZ3  LYS  25           2HZ      LYS  25   6.269  13.819  -4.431
  168    H    SER  26           H        SER  26   6.347  11.992   1.040
  169    HA   SER  26           HA       SER  26   6.945   9.261   1.198
  170    HB2  SER  26           1HB      SER  26   7.306  11.566   3.095
  171    HB3  SER  26           2HB      SER  26   7.742   9.927   3.579
  172    HG   SER  26           HG       SER  26   9.523  10.989   2.665
  173    H    GLY  27           H        GLY  27   4.617  11.234   2.995
  174    HA2  GLY  27           1HA      GLY  27   3.780   9.551   4.964
  175    HA3  GLY  27           2HA      GLY  27   2.681  10.595   4.075
  176    H    LEU  28           H        LEU  28   2.914   9.338   1.544
  177    HA   LEU  28           HA       LEU  28   1.192   7.055   2.027
  178    HB2  LEU  28           1HB      LEU  28   0.323   8.372   0.348
  179    HB3  LEU  28           2HB      LEU  28   1.908   8.724  -0.337
  180    HG   LEU  28           HG       LEU  28   1.948   6.304  -1.111
  181   HD11  LEU  28          1HD1      LEU  28   0.252   5.334   0.234
  182   HD12  LEU  28          2HD1      LEU  28  -0.345   5.330  -1.425
  183   HD13  LEU  28          3HD1      LEU  28  -0.935   6.534  -0.280
  184   HD21  LEU  28          3HD2      LEU  28   0.720   8.625  -2.205
  185   HD22  LEU  28          1HD2      LEU  28  -0.224   7.213  -2.683
  186   HD23  LEU  28          2HD2      LEU  28   1.501   7.286  -3.048
  187    H    HIS  29           H        HIS  29   4.144   7.696   0.133
  188    HA   HIS  29           HA       HIS  29   4.774   5.288  -0.874
  189    HB2  HIS  29           1HB      HIS  29   6.168   7.531  -0.658
  190    HB3  HIS  29           2HB      HIS  29   6.966   6.642   0.636
  191    HD2  HIS  29           HD2      HIS  29   5.965   5.186  -2.902
  192    HE1  HIS  29           HE1      HIS  29  10.153   4.810  -2.338
  193    HE2  HIS  29           HE2      HIS  29   8.215   4.380  -3.889
  194    H    ILE  30           H        ILE  30   5.272   6.229   2.509
  195    HA   ILE  30           HA       ILE  30   6.462   3.800   3.328
  196    HB   ILE  30           HB       ILE  30   4.959   5.862   4.942
  197   HG12  ILE  30          1HG1      ILE  30   7.922   5.453   5.002
  198   HG13  ILE  30          2HG1      ILE  30   7.213   6.339   3.656
  199   HG21  ILE  30          1HG2      ILE  30   6.116   4.853   6.891
  200   HG22  ILE  30          2HG2      ILE  30   4.935   3.780   6.141
  201   HG23  ILE  30          3HG2      ILE  30   6.656   3.541   5.844
  202   HD11  ILE  30          3HD1      ILE  30   6.470   8.060   5.026
  203   HD12  ILE  30          1HD1      ILE  30   6.604   7.084   6.488
  204   HD13  ILE  30          2HD1      ILE  30   8.060   7.659   5.675
  205    H    HIS  31           H        HIS  31   3.116   4.984   3.500
  206    HA   HIS  31           HA       HIS  31   1.997   2.797   4.822
  207    HB2  HIS  31           1HB      HIS  31   0.558   4.606   4.685
  208    HB3  HIS  31           2HB      HIS  31   0.923   4.901   2.987
  209    HD1  HIS  31           HD1      HIS  31  -1.016   2.476   5.156
  210    HD2  HIS  31           HD2      HIS  31  -0.867   3.825   1.230
  211    HE1  HIS  31           HE1      HIS  31  -3.016   1.460   4.020
  212    H    GLN  32           H        GLN  32   2.551   3.352   1.374
  213    HA   GLN  32           HA       GLN  32   1.189   1.216   0.288
  214    HB2  GLN  32           1HB      GLN  32   3.869   2.309  -0.584
  215    HB3  GLN  32           2HB      GLN  32   2.811   1.306  -1.567
  216    HG2  GLN  32           1HG      GLN  32   1.085   3.235  -1.010
  217    HG3  GLN  32           2HG      GLN  32   2.572   4.163  -0.823
  218   HE21  GLN  32          1HE2      GLN  32   0.275   3.064  -2.974
  219   HE22  GLN  32          2HE2      GLN  32   1.119   3.375  -4.449
  220    H    GLN  33           H        GLN  33   4.465   1.260   1.642
  221    HA   GLN  33           HA       GLN  33   5.313  -1.278   1.022
  222    HB2  GLN  33           1HB      GLN  33   5.753   0.150   3.650
  223    HB3  GLN  33           2HB      GLN  33   6.732  -1.165   3.012
  224    HG2  GLN  33           1HG      GLN  33   7.559   0.187   1.251
  225    HG3  GLN  33           2HG      GLN  33   6.389   1.461   1.595
  226   HE21  GLN  33          1HE2      GLN  33   8.522   2.648   1.536
  227   HE22  GLN  33          2HE2      GLN  33   9.347   2.830   3.043
  228    H    SER  34           H        SER  34   3.190  -0.279   3.666
  229    HA   SER  34           HA       SER  34   3.018  -2.617   5.110
  230    HB2  SER  34           1HB      SER  34   1.830  -0.274   5.393
  231    HB3  SER  34           2HB      SER  34   0.499  -1.093   4.575
  232    HG   SER  34           HG       SER  34   0.437  -1.265   6.890
  233    H    HIS  35           H        HIS  35   1.660  -1.874   1.991
  234    HA   HIS  35           HA       HIS  35  -0.062  -4.195   1.953
  235    HB2  HIS  35           1HB      HIS  35   0.684  -2.210  -0.202
  236    HB3  HIS  35           2HB      HIS  35  -0.482  -3.513  -0.413
  237    HD1  HIS  35           HD1      HIS  35  -2.254  -3.330   1.950
  238    HD2  HIS  35           HD2      HIS  35  -0.741   0.059   0.082
  239    HE1  HIS  35           HE1      HIS  35  -3.820  -1.462   2.574
  240    H    THR  36           H        THR  36   2.467  -5.029   2.520
  241    HA   THR  36           HA       THR  36   4.153  -5.692   0.421
  242    HB   THR  36           HB       THR  36   4.886  -7.626   1.841
  243    HG1  THR  36           HG1      THR  36   2.932  -6.634   3.665
  244   HG21  THR  36          3HG2      THR  36   6.031  -6.281   3.329
  245   HG22  THR  36          1HG2      THR  36   4.641  -5.235   3.618
  246   HG23  THR  36          2HG2      THR  36   5.543  -5.106   2.108
  247    H    GLY  37           H        GLY  37   4.009  -7.030  -1.262
  248    HA2  GLY  37           1HA      GLY  37   3.296  -9.500  -1.665
  249    HA3  GLY  37           2HA      GLY  37   1.693  -8.832  -1.395
  250    H    GLU  38           H        GLU  38   4.278  -9.233  -3.621
  251    HA   GLU  38           HA       GLU  38   2.601  -8.109  -5.736
  252    HB2  GLU  38           1HB      GLU  38   4.560  -6.970  -6.747
  253    HB3  GLU  38           2HB      GLU  38   4.087  -6.284  -5.199
  254    HG2  GLU  38           1HG      GLU  38   5.887  -7.647  -4.135
  255    HG3  GLU  38           2HG      GLU  38   6.416  -8.102  -5.753
  256    H    ARG  39           H        ARG  39   3.147  -8.870  -7.864
  257    HA   ARG  39           HA       ARG  39   3.702 -11.600  -7.987
  258    HB2  ARG  39           1HB      ARG  39   2.603  -9.914  -9.710
  259    HB3  ARG  39           2HB      ARG  39   4.230  -9.890 -10.374
  260    HG2  ARG  39           1HG      ARG  39   4.052 -12.452 -10.369
  261    HG3  ARG  39           2HG      ARG  39   2.319 -12.183 -10.169
  262    HD2  ARG  39           1HD      ARG  39   2.139 -11.083 -12.233
  263    HD3  ARG  39           2HD      ARG  39   3.882 -10.837 -12.349
  264    HE   ARG  39           HE       ARG  39   2.414 -13.129 -13.200
  265   HH11  ARG  39          1HH1      ARG  39   5.477 -12.079 -11.920
  266   HH12  ARG  39          2HH1      ARG  39   6.361 -13.409 -12.592
  267   HH21  ARG  39          1HH2      ARG  39   3.568 -14.885 -14.090
  268   HH22  ARG  39          2HH2      ARG  39   5.275 -15.004 -13.827
  269    H    HIS  40           H        HIS  40   5.798  -8.814  -8.612
  270    HA   HIS  40           HA       HIS  40   8.062 -10.473  -9.267
  271    HB2  HIS  40           1HB      HIS  40   7.889  -8.329 -10.356
  272    HB3  HIS  40           2HB      HIS  40   7.792  -7.497  -8.806
  273    HD2  HIS  40           HD2      HIS  40  10.527  -9.645 -10.707
  274    HE1  HIS  40           HE1      HIS  40  12.421  -6.714  -8.295
  275    HE2  HIS  40           HE2      HIS  40  12.750  -8.509 -10.031
  276    H    SER  41           H        SER  41   8.093 -11.744  -7.306
  277    HA   SER  41           HA       SER  41   9.962 -10.752  -5.407
  278    HB2  SER  41           1HB      SER  41   7.617  -9.799  -4.721
  279    HB3  SER  41           2HB      SER  41   7.336 -11.436  -4.129
  280    HG   SER  41           HG       SER  41   9.739 -10.224  -3.421
  281    H    GLY  42           H        GLY  42  10.925 -12.391  -4.250
  282    HA2  GLY  42           1HA      GLY  42  10.525 -15.042  -5.236
  283    HA3  GLY  42           2HA      GLY  42  11.649 -14.561  -3.973
  284    HA   PRO  43           HA       PRO  43   7.598 -16.621  -2.365
  285    HB2  PRO  43           1HB      PRO  43   8.260 -19.253  -2.459
  286    HB3  PRO  43           2HB      PRO  43   7.411 -18.428  -3.772
  287    HG2  PRO  43           1HG      PRO  43  10.319 -19.092  -3.519
  288    HG3  PRO  43           2HG      PRO  43   9.256 -19.243  -4.930
  289    HD2  PRO  43           1HD      PRO  43  10.978 -17.176  -4.617
  290    HD3  PRO  43           2HD      PRO  43   9.419 -17.003  -5.449
  291    H    SER  44           H        SER  44  10.986 -17.583  -1.997
  292    HA   SER  44           HA       SER  44  10.666 -18.437   0.721
  293    HB2  SER  44           1HB      SER  44  13.023 -18.010  -1.094
  294    HB3  SER  44           2HB      SER  44  13.264 -18.300   0.629
  295    HG   SER  44           HG       SER  44  12.864 -20.092  -1.240
  296    H    SER  45           H        SER  45   9.904 -16.826   2.012
  297    HA   SER  45           HA       SER  45  11.688 -14.517   2.385
  298    HB2  SER  45           1HB      SER  45   9.823 -13.021   2.641
  299    HB3  SER  45           2HB      SER  45   9.603 -13.888   1.121
  300    HG   SER  45           HG       SER  45   7.712 -14.323   1.936
  301    H    GLY  46           H        GLY  46   9.097 -16.500   3.784
  302    HA2  GLY  46           1HA      GLY  46   8.818 -17.288   5.928
  303    HA3  GLY  46           2HA      GLY  46  10.471 -16.787   6.257
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -28.837   8.565  -2.233
    2    HA2  GLY   1           1HA      GLY   1 -27.724   9.940  -3.706
    3    HA3  GLY   1           2HA      GLY   1 -29.076  11.057  -3.596
    4    H    SER   2           H        SER   2 -25.871  10.849  -3.148
    5    HA   SER   2           HA       SER   2 -25.822  12.625  -0.809
    6    HB2  SER   2           1HB      SER   2 -24.372  10.555  -0.835
    7    HB3  SER   2           2HB      SER   2 -23.457  11.299  -2.146
    8    HG   SER   2           HG       SER   2 -23.428  13.156  -0.463
    9    H    SER   3           H        SER   3 -25.527  14.729  -1.085
   10    HA   SER   3           HA       SER   3 -24.988  15.783  -3.717
   11    HB2  SER   3           1HB      SER   3 -25.867  16.898  -1.099
   12    HB3  SER   3           2HB      SER   3 -25.068  17.999  -2.222
   13    HG   SER   3           HG       SER   3 -27.479  16.578  -2.534
   14    H    GLY   4           H        GLY   4 -22.984  15.973  -4.458
   15    HA2  GLY   4           1HA      GLY   4 -20.914  17.256  -4.291
   16    HA3  GLY   4           2HA      GLY   4 -20.889  16.865  -2.578
   17    H    SER   5           H        SER   5 -20.399  15.618  -5.818
   18    HA   SER   5           HA       SER   5 -19.464  13.052  -4.875
   19    HB2  SER   5           1HB      SER   5 -18.989  12.608  -7.257
   20    HB3  SER   5           2HB      SER   5 -20.633  13.204  -7.024
   21    HG   SER   5           HG       SER   5 -19.480  14.213  -8.779
   22    H    SER   6           H        SER   6 -17.988  15.833  -6.544
   23    HA   SER   6           HA       SER   6 -15.371  14.931  -5.533
   24    HB2  SER   6           1HB      SER   6 -14.407  16.242  -7.447
   25    HB3  SER   6           2HB      SER   6 -15.385  14.860  -7.942
   26    HG   SER   6           HG       SER   6 -17.061  16.253  -8.433
   27    H    GLY   7           H        GLY   7 -14.282  16.238  -4.200
   28    HA2  GLY   7           1HA      GLY   7 -13.779  18.809  -4.069
   29    HA3  GLY   7           2HA      GLY   7 -15.468  18.846  -3.586
   30    H    THR   8           H        THR   8 -15.874  16.951  -1.857
   31    HA   THR   8           HA       THR   8 -14.459  17.787   0.463
   32    HB   THR   8           HB       THR   8 -16.303  15.409   0.162
   33    HG1  THR   8           HG1      THR   8 -17.930  16.792   0.397
   34   HG21  THR   8          3HG2      THR   8 -14.942  15.368   2.207
   35   HG22  THR   8          1HG2      THR   8 -16.644  15.652   2.568
   36   HG23  THR   8          2HG2      THR   8 -15.499  16.993   2.606
   37    H    GLY   9           H        GLY   9 -12.298  17.295   0.368
   38    HA2  GLY   9           1HA      GLY   9 -10.618  15.816   1.136
   39    HA3  GLY   9           2HA      GLY   9 -11.649  14.460   0.706
   40    H    GLU  10           H        GLU  10  -9.838  17.139  -0.779
   41    HA   GLU  10           HA       GLU  10  -9.279  15.361  -3.061
   42    HB2  GLU  10           1HB      GLU  10  -9.569  18.356  -2.912
   43    HB3  GLU  10           2HB      GLU  10  -8.792  17.560  -4.274
   44    HG2  GLU  10           1HG      GLU  10 -10.827  16.341  -4.760
   45    HG3  GLU  10           2HG      GLU  10 -11.612  17.052  -3.351
   46    H    LYS  11           H        LYS  11  -7.431  14.416  -2.211
   47    HA   LYS  11           HA       LYS  11  -5.200  16.200  -1.539
   48    HB2  LYS  11           1HB      LYS  11  -5.467  13.217  -1.123
   49    HB3  LYS  11           2HB      LYS  11  -4.136  14.222  -0.564
   50    HG2  LYS  11           1HG      LYS  11  -6.995  14.565   0.311
   51    HG3  LYS  11           2HG      LYS  11  -5.784  13.634   1.197
   52    HD2  LYS  11           1HD      LYS  11  -4.381  15.696   1.299
   53    HD3  LYS  11           2HD      LYS  11  -5.725  16.587   0.582
   54    HE2  LYS  11           1HE      LYS  11  -7.145  15.828   2.489
   55    HE3  LYS  11           2HE      LYS  11  -5.700  15.134   3.223
   56    HZ1  LYS  11           3HZ      LYS  11  -5.555  17.136   4.189
   57    HZ2  LYS  11           1HZ      LYS  11  -6.530  17.899   3.036
   58    HZ3  LYS  11           2HZ      LYS  11  -4.892  17.632   2.713
   59    HA   PRO  12           HA       PRO  12  -3.094  15.379  -5.307
   60    HB2  PRO  12           1HB      PRO  12  -0.516  15.602  -4.485
   61    HB3  PRO  12           2HB      PRO  12  -1.591  16.993  -4.664
   62    HG2  PRO  12           1HG      PRO  12  -0.835  15.490  -2.188
   63    HG3  PRO  12           2HG      PRO  12  -0.976  17.240  -2.435
   64    HD2  PRO  12           1HD      PRO  12  -2.912  15.779  -1.232
   65    HD3  PRO  12           2HD      PRO  12  -3.270  17.214  -2.213
   66    H    TYR  13           H        TYR  13  -2.428  13.461  -2.472
   67    HA   TYR  13           HA       TYR  13  -1.624  11.237  -4.219
   68    HB2  TYR  13           1HB      TYR  13  -0.427  11.648  -1.485
   69    HB3  TYR  13           2HB      TYR  13   0.114  10.562  -2.761
   70    HD1  TYR  13           HD1      TYR  13   1.134  11.561  -4.847
   71    HD2  TYR  13           HD2      TYR  13   0.402  13.849  -1.335
   72    HE1  TYR  13           HE1      TYR  13   2.715  13.271  -5.639
   73    HE2  TYR  13           HE2      TYR  13   1.980  15.565  -2.118
   74    HH   TYR  13           HH       TYR  13   3.142  15.689  -5.284
   75    H    LYS  14           H        LYS  14  -2.314   9.196  -3.597
   76    HA   LYS  14           HA       LYS  14  -3.641   8.715  -1.111
   77    HB2  LYS  14           1HB      LYS  14  -5.414   9.969  -2.235
   78    HB3  LYS  14           2HB      LYS  14  -5.324   8.886  -3.618
   79    HG2  LYS  14           1HG      LYS  14  -6.061   7.028  -2.217
   80    HG3  LYS  14           2HG      LYS  14  -6.145   8.110  -0.825
   81    HD2  LYS  14           1HD      LYS  14  -8.338   8.114  -1.519
   82    HD3  LYS  14           2HD      LYS  14  -7.708   9.511  -2.394
   83    HE2  LYS  14           1HE      LYS  14  -8.985   8.253  -3.946
   84    HE3  LYS  14           2HE      LYS  14  -7.290   7.966  -4.336
   85    HZ1  LYS  14           3HZ      LYS  14  -7.591   5.927  -2.802
   86    HZ2  LYS  14           1HZ      LYS  14  -8.176   5.859  -4.388
   87    HZ3  LYS  14           2HZ      LYS  14  -9.242   6.140  -3.105
   88    H    CYS  15           H        CYS  15  -4.326   6.503  -0.876
   89    HA   CYS  15           HA       CYS  15  -2.888   4.721  -2.710
   90    HB2  CYS  15           1HB      CYS  15  -2.171   4.476  -0.435
   91    HB3  CYS  15           2HB      CYS  15  -3.832   4.359   0.137
   92    H    SER  16           H        SER  16  -3.876   3.062  -3.768
   93    HA   SER  16           HA       SER  16  -6.800   3.123  -3.798
   94    HB2  SER  16           1HB      SER  16  -4.697   2.229  -5.729
   95    HB3  SER  16           2HB      SER  16  -6.309   1.522  -5.840
   96    HG   SER  16           HG       SER  16  -7.134   3.437  -6.384
   97    H    ASP  17           H        ASP  17  -4.105   1.016  -3.086
   98    HA   ASP  17           HA       ASP  17  -5.228  -1.478  -3.065
   99    HB2  ASP  17           1HB      ASP  17  -2.846  -0.632  -2.347
  100    HB3  ASP  17           2HB      ASP  17  -3.542  -0.660  -0.729
  101    H    CYS  18           H        CYS  18  -5.252   0.805  -0.325
  102    HA   CYS  18           HA       CYS  18  -7.505  -0.712   0.809
  103    HB2  CYS  18           1HB      CYS  18  -6.887   0.160   2.970
  104    HB3  CYS  18           2HB      CYS  18  -5.450  -0.521   2.214
  105    H    GLY  19           H        GLY  19  -6.310   2.582   0.231
  106    HA2  GLY  19           1HA      GLY  19  -7.895   4.151  -0.796
  107    HA3  GLY  19           2HA      GLY  19  -9.123   3.485   0.270
  108    H    LYS  20           H        LYS  20  -5.826   4.778   0.700
  109    HA   LYS  20           HA       LYS  20  -6.917   6.551   2.788
  110    HB2  LYS  20           1HB      LYS  20  -4.490   4.821   2.759
  111    HB3  LYS  20           2HB      LYS  20  -4.390   6.364   3.597
  112    HG2  LYS  20           1HG      LYS  20  -6.062   5.764   5.130
  113    HG3  LYS  20           2HG      LYS  20  -6.587   4.396   4.146
  114    HD2  LYS  20           1HD      LYS  20  -4.785   3.088   4.769
  115    HD3  LYS  20           2HD      LYS  20  -3.788   4.482   5.191
  116    HE2  LYS  20           1HE      LYS  20  -5.600   4.857   7.031
  117    HE3  LYS  20           2HE      LYS  20  -5.960   3.153   6.756
  118    HZ1  LYS  20           3HZ      LYS  20  -3.218   3.317   6.973
  119    HZ2  LYS  20           1HZ      LYS  20  -4.294   2.694   8.120
  120    HZ3  LYS  20           2HZ      LYS  20  -3.815   4.314   8.202
  121    H    ALA  21           H        ALA  21  -6.698   8.643   2.374
  122    HA   ALA  21           HA       ALA  21  -4.966   9.503   0.199
  123    HB1  ALA  21           3HB      ALA  21  -6.497  11.075  -0.150
  124    HB2  ALA  21           1HB      ALA  21  -7.470  10.311   1.108
  125    HB3  ALA  21           2HB      ALA  21  -6.386  11.641   1.517
  126    H    PHE  22           H        PHE  22  -3.252  10.893   0.397
  127    HA   PHE  22           HA       PHE  22  -2.470  11.672   3.125
  128    HB2  PHE  22           1HB      PHE  22  -0.573  10.680   0.990
  129    HB3  PHE  22           2HB      PHE  22  -0.156  11.130   2.640
  130    HD1  PHE  22           HD2      PHE  22  -0.716   9.678   4.505
  131    HD2  PHE  22           HD1      PHE  22  -1.623   8.575   0.496
  132    HE1  PHE  22           HE2      PHE  22  -1.080   7.355   5.230
  133    HE2  PHE  22           HE1      PHE  22  -1.990   6.250   1.215
  134    HZ   PHE  22           HZ       PHE  22  -1.717   5.638   3.584
  135    H    THR  23           H        THR  23  -0.848  13.440   3.161
  136    HA   THR  23           HA       THR  23  -1.565  15.446   1.165
  137    HB   THR  23           HB       THR  23   0.012  15.816   3.718
  138    HG1  THR  23           HG1      THR  23  -1.886  15.567   4.617
  139   HG21  THR  23          3HG2      THR  23  -0.208  17.508   1.570
  140   HG22  THR  23          1HG2      THR  23   0.145  18.003   3.225
  141   HG23  THR  23          2HG2      THR  23  -1.512  18.058   2.621
  142    H    ARG  24           H        ARG  24   1.292  13.875   2.538
  143    HA   ARG  24           HA       ARG  24   2.924  15.104   0.420
  144    HB2  ARG  24           1HB      ARG  24   3.871  13.793   2.974
  145    HB3  ARG  24           2HB      ARG  24   4.861  14.666   1.812
  146    HG2  ARG  24           1HG      ARG  24   3.451  16.697   2.326
  147    HG3  ARG  24           2HG      ARG  24   2.783  15.774   3.674
  148    HD2  ARG  24           1HD      ARG  24   4.565  17.094   4.535
  149    HD3  ARG  24           2HD      ARG  24   5.130  15.425   4.478
  150    HE   ARG  24           HE       ARG  24   5.875  16.676   2.095
  151   HH11  ARG  24          1HH1      ARG  24   6.578  16.847   5.500
  152   HH12  ARG  24          2HH1      ARG  24   8.199  17.415   5.270
  153   HH21  ARG  24          1HH2      ARG  24   8.007  17.424   1.779
  154   HH22  ARG  24          2HH2      ARG  24   9.010  17.744   3.153
  155    H    LYS  25           H        LYS  25   4.568  13.762  -0.587
  156    HA   LYS  25           HA       LYS  25   3.556  11.357  -1.590
  157    HB2  LYS  25           1HB      LYS  25   6.177  12.761  -1.700
  158    HB3  LYS  25           2HB      LYS  25   6.151  11.063  -2.159
  159    HG2  LYS  25           1HG      LYS  25   4.150  12.922  -3.351
  160    HG3  LYS  25           2HG      LYS  25   5.812  12.932  -3.947
  161    HD2  LYS  25           1HD      LYS  25   4.424  10.314  -3.650
  162    HD3  LYS  25           2HD      LYS  25   3.979  11.354  -5.006
  163    HE2  LYS  25           1HE      LYS  25   6.850  10.736  -4.409
  164    HE3  LYS  25           2HE      LYS  25   5.856   9.611  -5.332
  165    HZ1  LYS  25           3HZ      LYS  25   5.315  11.684  -6.738
  166    HZ2  LYS  25           1HZ      LYS  25   6.807  10.916  -6.959
  167    HZ3  LYS  25           2HZ      LYS  25   6.714  12.337  -6.046
  168    H    SER  26           H        SER  26   5.874  11.985   1.001
  169    HA   SER  26           HA       SER  26   6.779   9.415   1.483
  170    HB2  SER  26           1HB      SER  26   7.349  11.729   2.620
  171    HB3  SER  26           2HB      SER  26   6.167  11.192   3.812
  172    HG   SER  26           HG       SER  26   8.296   9.534   2.978
  173    H    GLY  27           H        GLY  27   4.130  11.028   3.260
  174    HA2  GLY  27           1HA      GLY  27   3.169   9.071   4.819
  175    HA3  GLY  27           2HA      GLY  27   2.092  10.142   3.936
  176    H    LEU  28           H        LEU  28   2.828   9.158   1.319
  177    HA   LEU  28           HA       LEU  28   1.151   6.791   1.308
  178    HB2  LEU  28           1HB      LEU  28   0.642   8.462  -0.318
  179    HB3  LEU  28           2HB      LEU  28   2.311   8.499  -0.883
  180    HG   LEU  28           HG       LEU  28   1.993   6.156  -1.710
  181   HD11  LEU  28          1HD1      LEU  28  -0.073   5.120  -1.750
  182   HD12  LEU  28          2HD1      LEU  28  -0.950   6.624  -1.468
  183   HD13  LEU  28          3HD1      LEU  28  -0.055   5.865  -0.151
  184   HD21  LEU  28          3HD2      LEU  28   1.690   7.193  -3.646
  185   HD22  LEU  28          1HD2      LEU  28   1.089   8.619  -2.800
  186   HD23  LEU  28          2HD2      LEU  28  -0.032   7.351  -3.295
  187    H    HIS  29           H        HIS  29   4.467   7.698   0.540
  188    HA   HIS  29           HA       HIS  29   5.328   5.373  -0.712
  189    HB2  HIS  29           1HB      HIS  29   6.667   7.502   0.892
  190    HB3  HIS  29           2HB      HIS  29   7.577   6.036   0.538
  191    HD2  HIS  29           HD2      HIS  29   6.122   5.924  -2.606
  192    HE1  HIS  29           HE1      HIS  29   8.578   9.352  -3.073
  193    HE2  HIS  29           HE2      HIS  29   7.179   7.620  -4.249
  194    H    ILE  30           H        ILE  30   5.741   6.176   2.743
  195    HA   ILE  30           HA       ILE  30   6.647   3.655   3.538
  196    HB   ILE  30           HB       ILE  30   5.184   5.769   5.118
  197   HG12  ILE  30          1HG1      ILE  30   7.669   5.826   6.071
  198   HG13  ILE  30          2HG1      ILE  30   8.036   5.178   4.476
  199   HG21  ILE  30          1HG2      ILE  30   4.879   3.615   6.195
  200   HG22  ILE  30          2HG2      ILE  30   6.612   3.306   6.110
  201   HG23  ILE  30          3HG2      ILE  30   5.998   4.610   7.125
  202   HD11  ILE  30          3HD1      ILE  30   6.267   7.383   4.176
  203   HD12  ILE  30          1HD1      ILE  30   7.604   7.859   5.222
  204   HD13  ILE  30          2HD1      ILE  30   7.930   7.207   3.616
  205    H    HIS  31           H        HIS  31   3.368   5.029   3.835
  206    HA   HIS  31           HA       HIS  31   2.047   2.893   4.926
  207    HB2  HIS  31           1HB      HIS  31   0.754   4.816   4.662
  208    HB3  HIS  31           2HB      HIS  31   1.190   4.997   2.965
  209    HD1  HIS  31           HD1      HIS  31  -0.809   2.578   5.120
  210    HD2  HIS  31           HD2      HIS  31  -0.743   4.150   1.275
  211    HE1  HIS  31           HE1      HIS  31  -2.861   1.668   3.986
  212    H    GLN  32           H        GLN  32   2.591   3.475   1.456
  213    HA   GLN  32           HA       GLN  32   1.298   1.328   0.365
  214    HB2  GLN  32           1HB      GLN  32   3.741   2.850  -0.395
  215    HB3  GLN  32           2HB      GLN  32   3.408   1.356  -1.260
  216    HG2  GLN  32           1HG      GLN  32   1.005   2.444  -1.465
  217    HG3  GLN  32           2HG      GLN  32   1.938   3.927  -1.272
  218   HE21  GLN  32          1HE2      GLN  32   1.039   1.394  -3.367
  219   HE22  GLN  32          2HE2      GLN  32   1.950   1.897  -4.746
  220    H    GLN  33           H        GLN  33   4.534   1.361   1.802
  221    HA   GLN  33           HA       GLN  33   5.496  -1.103   1.193
  222    HB2  GLN  33           1HB      GLN  33   5.579   0.183   3.928
  223    HB3  GLN  33           2HB      GLN  33   6.647  -1.097   3.369
  224    HG2  GLN  33           1HG      GLN  33   6.474   1.704   2.285
  225    HG3  GLN  33           2HG      GLN  33   7.778   1.021   3.255
  226   HE21  GLN  33          1HE2      GLN  33   8.316   2.200   0.858
  227   HE22  GLN  33          2HE2      GLN  33   8.801   1.005  -0.290
  228    H    SER  34           H        SER  34   3.172  -0.378   3.779
  229    HA   SER  34           HA       SER  34   2.905  -2.851   4.936
  230    HB2  SER  34           1HB      SER  34   0.683  -0.879   4.348
  231    HB3  SER  34           2HB      SER  34   0.602  -2.186   5.528
  232    HG   SER  34           HG       SER  34   2.594  -1.099   6.408
  233    H    HIS  35           H        HIS  35   1.448  -1.691   1.939
  234    HA   HIS  35           HA       HIS  35   0.040  -4.194   1.524
  235    HB2  HIS  35           1HB      HIS  35   0.306  -1.868  -0.387
  236    HB3  HIS  35           2HB      HIS  35  -0.890  -3.159  -0.440
  237    HD1  HIS  35           HD1      HIS  35  -1.845  -3.110   2.479
  238    HD2  HIS  35           HD2      HIS  35  -1.257   0.289   0.163
  239    HE1  HIS  35           HE1      HIS  35  -3.283  -1.329   3.521
  240    H    THR  36           H        THR  36   2.182  -5.346   1.612
  241    HA   THR  36           HA       THR  36   3.271  -5.541  -1.114
  242    HB   THR  36           HB       THR  36   5.499  -6.128  -0.023
  243    HG1  THR  36           HG1      THR  36   4.342  -4.734   2.178
  244   HG21  THR  36          3HG2      THR  36   5.572  -3.446   0.689
  245   HG22  THR  36          1HG2      THR  36   4.279  -3.539  -0.505
  246   HG23  THR  36          2HG2      THR  36   5.897  -4.115  -0.910
  247    H    GLY  37           H        GLY  37   2.598  -7.464  -1.828
  248    HA2  GLY  37           1HA      GLY  37   2.507  -9.765  -1.993
  249    HA3  GLY  37           2HA      GLY  37   3.446  -9.862  -0.511
  250    H    GLU  38           H        GLU  38   1.474 -11.675  -0.909
  251    HA   GLU  38           HA       GLU  38  -0.605 -10.793   0.983
  252    HB2  GLU  38           1HB      GLU  38  -1.261 -11.258  -1.505
  253    HB3  GLU  38           2HB      GLU  38  -1.127 -12.946  -1.034
  254    HG2  GLU  38           1HG      GLU  38  -2.797 -11.063   0.573
  255    HG3  GLU  38           2HG      GLU  38  -3.421 -11.766  -0.918
  256    H    ARG  39           H        ARG  39  -0.069 -11.703   2.866
  257    HA   ARG  39           HA       ARG  39   0.890 -14.480   2.876
  258    HB2  ARG  39           1HB      ARG  39   2.106 -12.457   4.037
  259    HB3  ARG  39           2HB      ARG  39   0.917 -12.733   5.304
  260    HG2  ARG  39           1HG      ARG  39   2.658 -14.020   6.043
  261    HG3  ARG  39           2HG      ARG  39   1.731 -15.208   5.125
  262    HD2  ARG  39           1HD      ARG  39   3.825 -15.605   4.294
  263    HD3  ARG  39           2HD      ARG  39   3.266 -14.384   3.152
  264    HE   ARG  39           HE       ARG  39   4.789 -12.891   4.031
  265   HH11  ARG  39          1HH1      ARG  39   4.628 -15.747   6.016
  266   HH12  ARG  39          2HH1      ARG  39   6.032 -15.339   6.945
  267   HH21  ARG  39          1HH2      ARG  39   6.639 -12.343   5.247
  268   HH22  ARG  39          2HH2      ARG  39   7.175 -13.402   6.507
  269    H    HIS  40           H        HIS  40  -1.092 -15.533   2.681
  270    HA   HIS  40           HA       HIS  40  -3.476 -15.068   3.897
  271    HB2  HIS  40           1HB      HIS  40  -3.684 -17.643   3.994
  272    HB3  HIS  40           2HB      HIS  40  -3.436 -16.885   2.424
  273    HD2  HIS  40           HD2      HIS  40  -1.162 -18.711   5.105
  274    HE1  HIS  40           HE1      HIS  40   0.439 -19.307   1.221
  275    HE2  HIS  40           HE2      HIS  40   0.610 -19.918   3.659
  276    H    SER  41           H        SER  41  -0.713 -16.769   5.332
  277    HA   SER  41           HA       SER  41  -2.016 -17.279   7.813
  278    HB2  SER  41           1HB      SER  41  -0.082 -18.604   6.956
  279    HB3  SER  41           2HB      SER  41   0.956 -17.207   7.243
  280    HG   SER  41           HG       SER  41   0.969 -17.653   9.299
  281    H    GLY  42           H        GLY  42  -2.854 -15.332   8.572
  282    HA2  GLY  42           1HA      GLY  42  -1.680 -13.905  10.474
  283    HA3  GLY  42           2HA      GLY  42  -1.019 -13.114   9.051
  284    HA   PRO  43           HA       PRO  43  -5.500 -11.749  10.199
  285    HB2  PRO  43           1HB      PRO  43  -5.022  -9.781  12.008
  286    HB3  PRO  43           2HB      PRO  43  -5.331 -11.458  12.472
  287    HG2  PRO  43           1HG      PRO  43  -2.722 -10.010  12.225
  288    HG3  PRO  43           2HG      PRO  43  -3.265 -11.129  13.489
  289    HD2  PRO  43           1HD      PRO  43  -1.611 -11.888  11.484
  290    HD3  PRO  43           2HD      PRO  43  -2.790 -12.993  12.219
  291    H    SER  44           H        SER  44  -5.473 -10.898   8.110
  292    HA   SER  44           HA       SER  44  -4.013  -8.436   7.598
  293    HB2  SER  44           1HB      SER  44  -5.706 -10.230   5.855
  294    HB3  SER  44           2HB      SER  44  -5.049  -8.694   5.288
  295    HG   SER  44           HG       SER  44  -2.951  -9.574   5.953
  296    H    SER  45           H        SER  45  -4.865  -6.454   7.642
  297    HA   SER  45           HA       SER  45  -7.797  -6.200   7.786
  298    HB2  SER  45           1HB      SER  45  -7.552  -4.409   9.409
  299    HB3  SER  45           2HB      SER  45  -6.721  -5.846  10.004
  300    HG   SER  45           HG       SER  45  -5.686  -3.515   9.844
  301    H    GLY  46           H        GLY  46  -8.724  -4.646   6.553
  302    HA2  GLY  46           1HA      GLY  46  -8.352  -2.333   5.606
  303    HA3  GLY  46           2HA      GLY  46  -6.888  -3.015   4.912
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -25.967   2.234   1.019
    2    HA2  GLY   1           1HA      GLY   1 -27.325   4.418   0.814
    3    HA3  GLY   1           2HA      GLY   1 -27.414   4.280   2.564
    4    H    SER   2           H        SER   2 -26.112   6.233   0.618
    5    HA   SER   2           HA       SER   2 -23.481   6.248   1.940
    6    HB2  SER   2           1HB      SER   2 -24.146   6.524  -0.955
    7    HB3  SER   2           2HB      SER   2 -22.826   7.502  -0.314
    8    HG   SER   2           HG       SER   2 -21.710   5.698   0.184
    9    H    SER   3           H        SER   3 -23.436   7.915   3.284
   10    HA   SER   3           HA       SER   3 -24.351  10.528   2.326
   11    HB2  SER   3           1HB      SER   3 -25.147   9.280   4.965
   12    HB3  SER   3           2HB      SER   3 -25.401  10.975   4.550
   13    HG   SER   3           HG       SER   3 -26.862   8.808   3.864
   14    H    GLY   4           H        GLY   4 -22.904  12.079   2.706
   15    HA2  GLY   4           1HA      GLY   4 -21.535  12.956   4.732
   16    HA3  GLY   4           2HA      GLY   4 -20.661  11.449   4.498
   17    H    SER   5           H        SER   5 -18.708  12.248   3.887
   18    HA   SER   5           HA       SER   5 -17.103  13.114   2.527
   19    HB2  SER   5           1HB      SER   5 -19.358  12.773   0.555
   20    HB3  SER   5           2HB      SER   5 -17.788  13.413   0.069
   21    HG   SER   5           HG       SER   5 -18.145  10.939   1.410
   22    H    SER   6           H        SER   6 -18.410  14.922   4.156
   23    HA   SER   6           HA       SER   6 -18.676  17.315   2.460
   24    HB2  SER   6           1HB      SER   6 -19.972  16.483   5.015
   25    HB3  SER   6           2HB      SER   6 -19.679  18.203   4.759
   26    HG   SER   6           HG       SER   6 -21.000  16.539   2.882
   27    H    GLY   7           H        GLY   7 -16.123  16.381   3.022
   28    HA2  GLY   7           1HA      GLY   7 -15.061  17.794   5.309
   29    HA3  GLY   7           2HA      GLY   7 -14.139  16.889   4.118
   30    H    THR   8           H        THR   8 -12.912  19.055   4.791
   31    HA   THR   8           HA       THR   8 -13.665  21.165   2.885
   32    HB   THR   8           HB       THR   8 -12.044  22.590   4.180
   33    HG1  THR   8           HG1      THR   8 -11.407  21.796   6.225
   34   HG21  THR   8          3HG2      THR   8 -14.679  21.769   4.855
   35   HG22  THR   8          1HG2      THR   8 -13.897  23.315   5.179
   36   HG23  THR   8          2HG2      THR   8 -13.781  22.004   6.354
   37    H    GLY   9           H        GLY   9 -12.779  20.095   1.056
   38    HA2  GLY   9           1HA      GLY   9 -11.037  20.199  -0.513
   39    HA3  GLY   9           2HA      GLY   9  -9.911  20.540   0.792
   40    H    GLU  10           H        GLU  10  -9.618  18.638  -1.376
   41    HA   GLU  10           HA       GLU  10  -9.514  16.136   0.179
   42    HB2  GLU  10           1HB      GLU  10 -10.149  16.666  -2.690
   43    HB3  GLU  10           2HB      GLU  10  -9.348  15.159  -2.271
   44    HG2  GLU  10           1HG      GLU  10 -12.035  16.140  -1.367
   45    HG3  GLU  10           2HG      GLU  10 -11.660  14.707  -2.322
   46    H    LYS  11           H        LYS  11  -7.706  14.714  -0.278
   47    HA   LYS  11           HA       LYS  11  -5.250  16.222  -0.589
   48    HB2  LYS  11           1HB      LYS  11  -5.994  13.528   0.429
   49    HB3  LYS  11           2HB      LYS  11  -4.363  13.730  -0.198
   50    HG2  LYS  11           1HG      LYS  11  -4.206  14.126   2.106
   51    HG3  LYS  11           2HG      LYS  11  -4.164  15.723   1.355
   52    HD2  LYS  11           1HD      LYS  11  -6.806  14.627   2.168
   53    HD3  LYS  11           2HD      LYS  11  -5.718  15.195   3.436
   54    HE2  LYS  11           1HE      LYS  11  -5.604  17.375   2.444
   55    HE3  LYS  11           2HE      LYS  11  -6.498  16.828   1.026
   56    HZ1  LYS  11           3HZ      LYS  11  -7.728  16.607   3.688
   57    HZ2  LYS  11           1HZ      LYS  11  -8.468  16.777   2.176
   58    HZ3  LYS  11           2HZ      LYS  11  -7.714  18.105   2.902
   59    HA   PRO  12           HA       PRO  12  -4.478  15.155  -4.785
   60    HB2  PRO  12           1HB      PRO  12  -1.766  15.286  -4.798
   61    HB3  PRO  12           2HB      PRO  12  -2.797  16.720  -4.724
   62    HG2  PRO  12           1HG      PRO  12  -1.372  15.295  -2.510
   63    HG3  PRO  12           2HG      PRO  12  -1.522  17.038  -2.805
   64    HD2  PRO  12           1HD      PRO  12  -3.046  15.731  -0.988
   65    HD3  PRO  12           2HD      PRO  12  -3.638  17.136  -1.896
   66    H    TYR  13           H        TYR  13  -2.555  13.478  -2.317
   67    HA   TYR  13           HA       TYR  13  -2.078  11.237  -4.105
   68    HB2  TYR  13           1HB      TYR  13  -1.297  11.568  -1.202
   69    HB3  TYR  13           2HB      TYR  13  -0.700  10.340  -2.312
   70    HD1  TYR  13           HD2      TYR  13  -0.521  13.870  -1.351
   71    HD2  TYR  13           HD1      TYR  13   0.945  10.889  -4.010
   72    HE1  TYR  13           HE2      TYR  13   1.319  15.366  -2.004
   73    HE2  TYR  13           HE1      TYR  13   2.790  12.376  -4.669
   74    HH   TYR  13           HH       TYR  13   3.194  14.908  -4.696
   75    H    LYS  14           H        LYS  14  -3.216   9.407  -4.139
   76    HA   LYS  14           HA       LYS  14  -4.908   8.712  -1.853
   77    HB2  LYS  14           1HB      LYS  14  -6.438   9.878  -3.281
   78    HB3  LYS  14           2HB      LYS  14  -5.858   9.020  -4.702
   79    HG2  LYS  14           1HG      LYS  14  -7.783   7.875  -4.315
   80    HG3  LYS  14           2HG      LYS  14  -6.668   6.914  -3.341
   81    HD2  LYS  14           1HD      LYS  14  -7.366   8.676  -1.485
   82    HD3  LYS  14           2HD      LYS  14  -8.811   8.792  -2.492
   83    HE2  LYS  14           1HE      LYS  14  -8.753   6.189  -2.387
   84    HE3  LYS  14           2HE      LYS  14  -7.738   6.452  -0.970
   85    HZ1  LYS  14           3HZ      LYS  14  -9.577   7.948  -0.153
   86    HZ2  LYS  14           1HZ      LYS  14  -9.925   6.293  -0.179
   87    HZ3  LYS  14           2HZ      LYS  14 -10.542   7.305  -1.385
   88    H    CYS  15           H        CYS  15  -4.128   6.793  -1.269
   89    HA   CYS  15           HA       CYS  15  -2.690   5.019  -2.850
   90    HB2  CYS  15           1HB      CYS  15  -2.591   4.817  -0.466
   91    HB3  CYS  15           2HB      CYS  15  -4.328   4.550  -0.356
   92    H    SER  16           H        SER  16  -3.199   3.464  -4.270
   93    HA   SER  16           HA       SER  16  -6.045   3.055  -4.860
   94    HB2  SER  16           1HB      SER  16  -4.509   3.871  -6.681
   95    HB3  SER  16           2HB      SER  16  -3.673   2.321  -6.589
   96    HG   SER  16           HG       SER  16  -5.789   2.871  -8.007
   97    H    ASP  17           H        ASP  17  -5.158   1.724  -2.635
   98    HA   ASP  17           HA       ASP  17  -5.244  -1.065  -3.555
   99    HB2  ASP  17           1HB      ASP  17  -3.529  -0.047  -1.279
  100    HB3  ASP  17           2HB      ASP  17  -3.689  -1.728  -1.782
  101    H    CYS  18           H        CYS  18  -5.633   1.116  -0.777
  102    HA   CYS  18           HA       CYS  18  -7.853  -0.596   0.136
  103    HB2  CYS  18           1HB      CYS  18  -7.339   0.196   2.438
  104    HB3  CYS  18           2HB      CYS  18  -6.034  -0.744   1.723
  105    H    GLY  19           H        GLY  19  -6.587   2.731   0.157
  106    HA2  GLY  19           1HA      GLY  19  -8.282   4.334  -0.852
  107    HA3  GLY  19           2HA      GLY  19  -9.370   3.690   0.368
  108    H    LYS  20           H        LYS  20  -5.943   4.548   0.657
  109    HA   LYS  20           HA       LYS  20  -6.711   6.500   2.727
  110    HB2  LYS  20           1HB      LYS  20  -4.490   4.522   2.550
  111    HB3  LYS  20           2HB      LYS  20  -4.160   6.050   3.356
  112    HG2  LYS  20           1HG      LYS  20  -5.703   5.637   5.044
  113    HG3  LYS  20           2HG      LYS  20  -6.548   4.407   4.101
  114    HD2  LYS  20           1HD      LYS  20  -4.934   2.798   4.512
  115    HD3  LYS  20           2HD      LYS  20  -3.686   3.995   4.867
  116    HE2  LYS  20           1HE      LYS  20  -4.434   4.332   7.018
  117    HE3  LYS  20           2HE      LYS  20  -6.078   3.821   6.640
  118    HZ1  LYS  20           3HZ      LYS  20  -3.797   2.243   7.461
  119    HZ2  LYS  20           1HZ      LYS  20  -4.704   1.569   6.202
  120    HZ3  LYS  20           2HZ      LYS  20  -5.450   1.950   7.671
  121    H    ALA  21           H        ALA  21  -6.267   8.561   2.329
  122    HA   ALA  21           HA       ALA  21  -4.472   9.205   0.099
  123    HB1  ALA  21           3HB      ALA  21  -6.846  10.517   1.293
  124    HB2  ALA  21           1HB      ALA  21  -5.601  11.559   0.603
  125    HB3  ALA  21           2HB      ALA  21  -6.381  10.334  -0.398
  126    H    PHE  22           H        PHE  22  -3.098  11.138   0.321
  127    HA   PHE  22           HA       PHE  22  -2.327  11.805   3.057
  128    HB2  PHE  22           1HB      PHE  22  -0.314  10.855   1.010
  129    HB3  PHE  22           2HB      PHE  22   0.025  11.352   2.665
  130    HD1  PHE  22           HD1      PHE  22  -1.887   8.840   0.701
  131    HD2  PHE  22           HD2      PHE  22   0.080   9.775   4.358
  132    HE1  PHE  22           HE1      PHE  22  -2.188   6.516   1.454
  133    HE2  PHE  22           HE2      PHE  22  -0.216   7.453   5.116
  134    HZ   PHE  22           HZ       PHE  22  -1.351   5.820   3.663
  135    H    THR  23           H        THR  23  -0.529  13.535   2.988
  136    HA   THR  23           HA       THR  23  -1.313  15.510   0.959
  137    HB   THR  23           HB       THR  23   0.017  15.936   3.643
  138    HG1  THR  23           HG1      THR  23  -2.418  15.378   3.265
  139   HG21  THR  23          3HG2      THR  23  -0.828  18.360   3.022
  140   HG22  THR  23          1HG2      THR  23  -0.635  17.758   1.376
  141   HG23  THR  23          2HG2      THR  23   0.743  17.775   2.477
  142    H    ARG  24           H        ARG  24   1.399  13.761   2.265
  143    HA   ARG  24           HA       ARG  24   3.163  15.120   0.333
  144    HB2  ARG  24           1HB      ARG  24   3.843  13.913   3.019
  145    HB3  ARG  24           2HB      ARG  24   5.041  14.463   1.855
  146    HG2  ARG  24           1HG      ARG  24   2.959  16.164   3.211
  147    HG3  ARG  24           2HG      ARG  24   4.687  16.135   3.564
  148    HD2  ARG  24           1HD      ARG  24   5.006  16.760   1.100
  149    HD3  ARG  24           2HD      ARG  24   3.288  17.154   1.112
  150    HE   ARG  24           HE       ARG  24   4.614  18.431   3.262
  151   HH11  ARG  24          1HH1      ARG  24   4.205  18.587  -0.192
  152   HH12  ARG  24          2HH1      ARG  24   4.497  20.293  -0.281
  153   HH21  ARG  24          1HH2      ARG  24   5.000  20.677   3.158
  154   HH22  ARG  24          2HH2      ARG  24   4.950  21.480   1.626
  155    H    LYS  25           H        LYS  25   5.061  13.702  -0.319
  156    HA   LYS  25           HA       LYS  25   4.073  11.357  -1.543
  157    HB2  LYS  25           1HB      LYS  25   6.731  12.685  -1.317
  158    HB3  LYS  25           2HB      LYS  25   6.695  11.005  -1.838
  159    HG2  LYS  25           1HG      LYS  25   4.970  13.062  -3.162
  160    HG3  LYS  25           2HG      LYS  25   6.662  12.853  -3.620
  161    HD2  LYS  25           1HD      LYS  25   6.090  10.371  -3.886
  162    HD3  LYS  25           2HD      LYS  25   4.402  10.884  -3.833
  163    HE2  LYS  25           1HE      LYS  25   4.833  10.881  -6.102
  164    HE3  LYS  25           2HE      LYS  25   5.129  12.566  -5.675
  165    HZ1  LYS  25           3HZ      LYS  25   6.879  11.717  -7.090
  166    HZ2  LYS  25           1HZ      LYS  25   7.203  10.465  -5.999
  167    HZ3  LYS  25           2HZ      LYS  25   7.499  12.071  -5.557
  168    H    SER  26           H        SER  26   6.639  11.686   0.919
  169    HA   SER  26           HA       SER  26   7.060   9.058   1.516
  170    HB2  SER  26           1HB      SER  26   6.929  11.295   3.553
  171    HB3  SER  26           2HB      SER  26   7.802   9.773   3.729
  172    HG   SER  26           HG       SER  26   8.802  10.606   1.595
  173    H    GLY  27           H        GLY  27   4.741  11.148   3.253
  174    HA2  GLY  27           1HA      GLY  27   3.565   9.512   5.001
  175    HA3  GLY  27           2HA      GLY  27   2.606  10.594   4.002
  176    H    LEU  28           H        LEU  28   2.996   9.343   1.511
  177    HA   LEU  28           HA       LEU  28   1.169   7.115   1.825
  178    HB2  LEU  28           1HB      LEU  28   0.562   8.573   0.099
  179    HB3  LEU  28           2HB      LEU  28   2.211   8.671  -0.516
  180    HG   LEU  28           HG       LEU  28   1.932   6.216  -1.164
  181   HD11  LEU  28          1HD1      LEU  28  -0.252   6.178   0.291
  182   HD12  LEU  28          2HD1      LEU  28  -0.131   5.224  -1.187
  183   HD13  LEU  28          3HD1      LEU  28  -0.995   6.762  -1.198
  184   HD21  LEU  28          3HD2      LEU  28   1.164   6.809  -3.277
  185   HD22  LEU  28          1HD2      LEU  28   1.796   8.326  -2.638
  186   HD23  LEU  28          2HD2      LEU  28   0.057   8.028  -2.642
  187    H    HIS  29           H        HIS  29   4.332   7.669   0.283
  188    HA   HIS  29           HA       HIS  29   4.937   5.208  -0.679
  189    HB2  HIS  29           1HB      HIS  29   6.614   7.305   0.637
  190    HB3  HIS  29           2HB      HIS  29   7.352   5.759   0.227
  191    HD2  HIS  29           HD2      HIS  29   6.026   5.337  -2.735
  192    HE1  HIS  29           HE1      HIS  29   7.730   9.129  -3.582
  193    HE2  HIS  29           HE2      HIS  29   6.688   7.052  -4.555
  194    H    ILE  30           H        ILE  30   5.349   6.239   2.697
  195    HA   ILE  30           HA       ILE  30   6.388   3.811   3.658
  196    HB   ILE  30           HB       ILE  30   4.783   5.890   5.152
  197   HG12  ILE  30          1HG1      ILE  30   7.763   5.593   5.272
  198   HG13  ILE  30          2HG1      ILE  30   7.032   6.466   3.930
  199   HG21  ILE  30          1HG2      ILE  30   6.252   3.449   6.012
  200   HG22  ILE  30          2HG2      ILE  30   6.281   4.868   7.058
  201   HG23  ILE  30          3HG2      ILE  30   4.742   4.130   6.616
  202   HD11  ILE  30          3HD1      ILE  30   6.420   7.143   6.784
  203   HD12  ILE  30          1HD1      ILE  30   7.804   7.823   5.928
  204   HD13  ILE  30          2HD1      ILE  30   6.168   8.121   5.338
  205    H    HIS  31           H        HIS  31   3.058   5.052   3.589
  206    HA   HIS  31           HA       HIS  31   1.844   2.871   4.866
  207    HB2  HIS  31           1HB      HIS  31   0.446   4.709   4.716
  208    HB3  HIS  31           2HB      HIS  31   0.886   5.038   3.043
  209    HD1  HIS  31           HD1      HIS  31  -1.121   2.502   5.034
  210    HD2  HIS  31           HD2      HIS  31  -0.922   4.145   1.223
  211    HE1  HIS  31           HE1      HIS  31  -3.111   1.583   3.802
  212    H    GLN  32           H        GLN  32   3.008   3.280   1.631
  213    HA   GLN  32           HA       GLN  32   1.521   1.070   0.536
  214    HB2  GLN  32           1HB      GLN  32   3.894   2.562  -0.595
  215    HB3  GLN  32           2HB      GLN  32   2.871   1.437  -1.478
  216    HG2  GLN  32           1HG      GLN  32   1.710   3.864  -0.171
  217    HG3  GLN  32           2HG      GLN  32   2.479   3.961  -1.755
  218   HE21  GLN  32          1HE2      GLN  32   1.581   2.755  -3.486
  219   HE22  GLN  32          2HE2      GLN  32  -0.083   2.289  -3.468
  220    H    GLN  33           H        GLN  33   4.177   1.319   2.534
  221    HA   GLN  33           HA       GLN  33   5.708  -0.878   1.487
  222    HB2  GLN  33           1HB      GLN  33   5.830   0.595   4.121
  223    HB3  GLN  33           2HB      GLN  33   6.952  -0.676   3.655
  224    HG2  GLN  33           1HG      GLN  33   7.296   0.845   1.545
  225    HG3  GLN  33           2HG      GLN  33   6.694   2.100   2.626
  226   HE21  GLN  33          1HE2      GLN  33   8.726   3.123   2.519
  227   HE22  GLN  33          2HE2      GLN  33  10.076   2.529   3.419
  228    H    SER  34           H        SER  34   2.760  -0.895   2.717
  229    HA   SER  34           HA       SER  34   3.143  -3.498   4.034
  230    HB2  SER  34           1HB      SER  34   1.169  -2.893   5.498
  231    HB3  SER  34           2HB      SER  34   2.646  -1.986   5.822
  232    HG   SER  34           HG       SER  34   1.762  -0.208   4.997
  233    H    HIS  35           H        HIS  35   2.417  -2.687   1.272
  234    HA   HIS  35           HA       HIS  35  -0.219  -4.000   1.136
  235    HB2  HIS  35           1HB      HIS  35   0.892  -1.673  -0.375
  236    HB3  HIS  35           2HB      HIS  35  -0.240  -2.747  -1.192
  237    HD1  HIS  35           HD1      HIS  35  -2.361  -3.259   0.818
  238    HD2  HIS  35           HD2      HIS  35  -0.543   0.458   0.441
  239    HE1  HIS  35           HE1      HIS  35  -3.987  -1.612   1.802
  240    H    THR  36           H        THR  36   2.478  -5.182   1.129
  241    HA   THR  36           HA       THR  36   2.872  -6.082  -1.604
  242    HB   THR  36           HB       THR  36   4.809  -7.277  -0.775
  243    HG1  THR  36           HG1      THR  36   3.720  -6.620   1.763
  244   HG21  THR  36          3HG2      THR  36   4.383  -4.435  -0.170
  245   HG22  THR  36          1HG2      THR  36   5.675  -5.218  -1.077
  246   HG23  THR  36          2HG2      THR  36   5.737  -5.173   0.685
  247    H    GLY  37           H        GLY  37   2.033  -7.517   1.543
  248    HA2  GLY  37           1HA      GLY  37   0.520  -9.584   0.137
  249    HA3  GLY  37           2HA      GLY  37   1.830 -10.126   1.176
  250    H    GLU  38           H        GLU  38  -1.429  -9.351   1.027
  251    HA   GLU  38           HA       GLU  38  -1.760  -8.540   3.768
  252    HB2  GLU  38           1HB      GLU  38  -3.354  -7.714   2.181
  253    HB3  GLU  38           2HB      GLU  38  -3.721  -9.338   1.618
  254    HG2  GLU  38           1HG      GLU  38  -4.922  -9.866   3.546
  255    HG3  GLU  38           2HG      GLU  38  -4.228  -8.523   4.453
  256    H    ARG  39           H        ARG  39  -2.184 -11.506   1.899
  257    HA   ARG  39           HA       ARG  39  -3.505 -13.177   3.543
  258    HB2  ARG  39           1HB      ARG  39  -2.321 -15.004   2.593
  259    HB3  ARG  39           2HB      ARG  39  -2.372 -13.753   1.358
  260    HG2  ARG  39           1HG      ARG  39  -0.010 -13.848   3.154
  261    HG3  ARG  39           2HG      ARG  39  -0.163 -15.080   1.899
  262    HD2  ARG  39           1HD      ARG  39  -0.552 -12.205   1.197
  263    HD3  ARG  39           2HD      ARG  39   1.082 -12.831   1.411
  264    HE   ARG  39           HE       ARG  39  -0.474 -14.471  -0.328
  265   HH11  ARG  39          1HH1      ARG  39   1.386 -11.533  -0.165
  266   HH12  ARG  39          2HH1      ARG  39   1.784 -11.537  -1.852
  267   HH21  ARG  39          1HH2      ARG  39   0.043 -14.488  -2.550
  268   HH22  ARG  39          2HH2      ARG  39   1.018 -13.217  -3.207
  269    H    HIS  40           H        HIS  40  -2.841 -14.772   5.142
  270    HA   HIS  40           HA       HIS  40  -0.944 -13.608   7.043
  271    HB2  HIS  40           1HB      HIS  40  -3.228 -15.542   7.301
  272    HB3  HIS  40           2HB      HIS  40  -2.007 -15.427   8.565
  273    HD2  HIS  40           HD2      HIS  40  -2.107 -13.102  10.117
  274    HE1  HIS  40           HE1      HIS  40  -5.658 -11.583   8.362
  275    HE2  HIS  40           HE2      HIS  40  -3.949 -11.287  10.188
  276    H    SER  41           H        SER  41  -1.632 -16.604   5.312
  277    HA   SER  41           HA       SER  41   0.016 -18.439   6.358
  278    HB2  SER  41           1HB      SER  41  -1.253 -18.846   4.310
  279    HB3  SER  41           2HB      SER  41  -0.177 -17.779   3.409
  280    HG   SER  41           HG       SER  41   1.318 -19.289   3.376
  281    H    GLY  42           H        GLY  42   2.076 -18.554   6.949
  282    HA2  GLY  42           1HA      GLY  42   4.079 -17.032   5.427
  283    HA3  GLY  42           2HA      GLY  42   3.989 -16.821   7.170
  284    HA   PRO  43           HA       PRO  43   6.607 -20.262   7.857
  285    HB2  PRO  43           1HB      PRO  43   5.442 -21.554   9.942
  286    HB3  PRO  43           2HB      PRO  43   6.259 -19.996  10.113
  287    HG2  PRO  43           1HG      PRO  43   3.334 -20.584   9.863
  288    HG3  PRO  43           2HG      PRO  43   4.158 -19.446  10.945
  289    HD2  PRO  43           1HD      PRO  43   2.924 -18.657   8.668
  290    HD3  PRO  43           2HD      PRO  43   4.367 -17.842   9.304
  291    H    SER  44           H        SER  44   6.603 -22.730   8.222
  292    HA   SER  44           HA       SER  44   4.958 -23.890   6.135
  293    HB2  SER  44           1HB      SER  44   7.064 -25.249   7.830
  294    HB3  SER  44           2HB      SER  44   6.405 -25.814   6.294
  295    HG   SER  44           HG       SER  44   8.428 -24.082   6.756
  296    H    SER  45           H        SER  45   5.780 -24.875   9.466
  297    HA   SER  45           HA       SER  45   3.615 -26.699   9.664
  298    HB2  SER  45           1HB      SER  45   4.235 -26.908  12.001
  299    HB3  SER  45           2HB      SER  45   5.701 -26.847  11.022
  300    HG   SER  45           HG       SER  45   5.905 -24.651  11.586
  301    H    GLY  46           H        GLY  46   1.676 -25.703   9.204
  302    HA2  GLY  46           1HA      GLY  46  -0.263 -24.934  10.497
  303    HA3  GLY  46           2HA      GLY  46   0.788 -23.715  11.202
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -17.782  -0.731  -2.482
    2    HA2  GLY   1           1HA      GLY   1 -18.409   1.905  -1.547
    3    HA3  GLY   1           2HA      GLY   1 -16.675   1.625  -1.617
    4    H    SER   2           H        SER   2 -15.652   1.872  -3.512
    5    HA   SER   2           HA       SER   2 -15.287   2.367  -5.701
    6    HB2  SER   2           1HB      SER   2 -16.560   0.118  -5.883
    7    HB3  SER   2           2HB      SER   2 -17.929   1.105  -6.395
    8    HG   SER   2           HG       SER   2 -16.096   2.014  -7.868
    9    H    SER   3           H        SER   3 -16.435   4.365  -4.157
   10    HA   SER   3           HA       SER   3 -17.967   5.813  -6.199
   11    HB2  SER   3           1HB      SER   3 -19.421   4.882  -4.284
   12    HB3  SER   3           2HB      SER   3 -18.631   6.091  -3.272
   13    HG   SER   3           HG       SER   3 -19.869   7.546  -4.129
   14    H    GLY   4           H        GLY   4 -17.626   8.042  -6.265
   15    HA2  GLY   4           1HA      GLY   4 -16.477   9.749  -4.520
   16    HA3  GLY   4           2HA      GLY   4 -15.088   8.884  -5.160
   17    H    SER   5           H        SER   5 -18.018  10.541  -6.331
   18    HA   SER   5           HA       SER   5 -16.658  11.276  -8.786
   19    HB2  SER   5           1HB      SER   5 -19.045  10.575  -8.801
   20    HB3  SER   5           2HB      SER   5 -19.443  12.004  -7.846
   21    HG   SER   5           HG       SER   5 -18.032  12.309 -10.251
   22    H    SER   6           H        SER   6 -15.018  12.600  -7.791
   23    HA   SER   6           HA       SER   6 -15.933  15.351  -7.449
   24    HB2  SER   6           1HB      SER   6 -14.363  13.790  -5.408
   25    HB3  SER   6           2HB      SER   6 -14.252  15.548  -5.499
   26    HG   SER   6           HG       SER   6 -16.529  15.614  -5.209
   27    H    GLY   7           H        GLY   7 -13.819  16.779  -7.129
   28    HA2  GLY   7           1HA      GLY   7 -11.377  15.941  -8.217
   29    HA3  GLY   7           2HA      GLY   7 -12.364  16.566  -9.530
   30    H    THR   8           H        THR   8 -10.046  17.819  -9.070
   31    HA   THR   8           HA       THR   8  -9.029  19.777  -8.453
   32    HB   THR   8           HB       THR   8 -10.473  21.810  -8.794
   33    HG1  THR   8           HG1      THR   8 -12.592  21.550  -9.272
   34   HG21  THR   8          3HG2      THR   8 -11.096  20.212 -11.166
   35   HG22  THR   8          1HG2      THR   8  -9.423  20.065 -10.630
   36   HG23  THR   8          2HG2      THR   8 -10.093  21.653 -11.003
   37    H    GLY   9           H        GLY   9  -9.697  18.329  -6.200
   38    HA2  GLY   9           1HA      GLY   9  -9.551  20.246  -4.174
   39    HA3  GLY   9           2HA      GLY   9 -11.232  19.749  -4.300
   40    H    GLU  10           H        GLU  10  -8.558  17.590  -4.960
   41    HA   GLU  10           HA       GLU  10  -9.178  16.151  -2.464
   42    HB2  GLU  10           1HB      GLU  10  -8.694  15.104  -5.241
   43    HB3  GLU  10           2HB      GLU  10  -8.433  14.089  -3.830
   44    HG2  GLU  10           1HG      GLU  10 -11.026  15.456  -4.509
   45    HG3  GLU  10           2HG      GLU  10 -10.644  13.772  -4.862
   46    H    LYS  11           H        LYS  11  -7.362  14.563  -1.896
   47    HA   LYS  11           HA       LYS  11  -4.992  16.045  -1.476
   48    HB2  LYS  11           1HB      LYS  11  -5.880  13.250  -0.928
   49    HB3  LYS  11           2HB      LYS  11  -4.160  13.608  -0.834
   50    HG2  LYS  11           1HG      LYS  11  -4.815  13.944   1.336
   51    HG3  LYS  11           2HG      LYS  11  -4.940  15.579   0.683
   52    HD2  LYS  11           1HD      LYS  11  -7.381  15.028   0.206
   53    HD3  LYS  11           2HD      LYS  11  -7.148  13.611   1.233
   54    HE2  LYS  11           1HE      LYS  11  -8.048  15.325   2.608
   55    HE3  LYS  11           2HE      LYS  11  -6.343  15.173   3.028
   56    HZ1  LYS  11           3HZ      LYS  11  -6.221  17.042   1.143
   57    HZ2  LYS  11           1HZ      LYS  11  -6.397  17.394   2.788
   58    HZ3  LYS  11           2HZ      LYS  11  -7.752  17.380   1.776
   59    HA   PRO  12           HA       PRO  12  -2.704  15.229  -5.147
   60    HB2  PRO  12           1HB      PRO  12  -0.191  15.570  -4.179
   61    HB3  PRO  12           2HB      PRO  12  -1.299  16.916  -4.468
   62    HG2  PRO  12           1HG      PRO  12  -0.646  15.517  -1.903
   63    HG3  PRO  12           2HG      PRO  12  -0.831  17.253  -2.216
   64    HD2  PRO  12           1HD      PRO  12  -2.786  15.760  -1.084
   65    HD3  PRO  12           2HD      PRO  12  -3.132  17.151  -2.131
   66    H    TYR  13           H        TYR  13  -2.344  13.351  -2.276
   67    HA   TYR  13           HA       TYR  13  -1.159  11.179  -3.868
   68    HB2  TYR  13           1HB      TYR  13  -0.532  11.598  -0.949
   69    HB3  TYR  13           2HB      TYR  13   0.275  10.530  -2.092
   70    HD1  TYR  13           HD1      TYR  13   1.590  11.607  -4.000
   71    HD2  TYR  13           HD2      TYR  13   0.256  13.774  -0.589
   72    HE1  TYR  13           HE1      TYR  13   3.248  13.361  -4.473
   73    HE2  TYR  13           HE2      TYR  13   1.910  15.534  -1.054
   74    HH   TYR  13           HH       TYR  13   3.457  16.281  -2.465
   75    H    LYS  14           H        LYS  14  -2.074   9.207  -3.635
   76    HA   LYS  14           HA       LYS  14  -3.834   8.641  -1.400
   77    HB2  LYS  14           1HB      LYS  14  -5.315   9.790  -2.991
   78    HB3  LYS  14           2HB      LYS  14  -4.862   8.642  -4.245
   79    HG2  LYS  14           1HG      LYS  14  -6.101   6.945  -3.335
   80    HG3  LYS  14           2HG      LYS  14  -6.009   7.607  -1.701
   81    HD2  LYS  14           1HD      LYS  14  -7.515   9.011  -3.888
   82    HD3  LYS  14           2HD      LYS  14  -8.261   7.737  -2.921
   83    HE2  LYS  14           1HE      LYS  14  -8.222   8.993  -0.994
   84    HE3  LYS  14           2HE      LYS  14  -6.861   9.974  -1.534
   85    HZ1  LYS  14           3HZ      LYS  14  -8.246  11.237  -2.921
   86    HZ2  LYS  14           1HZ      LYS  14  -9.105  11.093  -1.470
   87    HZ3  LYS  14           2HZ      LYS  14  -9.530  10.142  -2.803
   88    H    CYS  15           H        CYS  15  -4.271   6.431  -1.127
   89    HA   CYS  15           HA       CYS  15  -2.331   4.694  -2.401
   90    HB2  CYS  15           1HB      CYS  15  -2.888   4.713   0.098
   91    HB3  CYS  15           2HB      CYS  15  -4.376   3.881  -0.341
   92    H    SER  16           H        SER  16  -2.749   3.431  -4.082
   93    HA   SER  16           HA       SER  16  -5.521   3.104  -4.950
   94    HB2  SER  16           1HB      SER  16  -3.682   3.913  -6.515
   95    HB3  SER  16           2HB      SER  16  -3.040   2.271  -6.459
   96    HG   SER  16           HG       SER  16  -5.470   1.837  -7.000
   97    H    ASP  17           H        ASP  17  -4.246   1.600  -2.700
   98    HA   ASP  17           HA       ASP  17  -4.625  -1.127  -3.755
   99    HB2  ASP  17           1HB      ASP  17  -2.722  -0.013  -1.750
  100    HB3  ASP  17           2HB      ASP  17  -3.337  -1.641  -1.478
  101    H    CYS  18           H        CYS  18  -5.156   0.984  -0.955
  102    HA   CYS  18           HA       CYS  18  -7.394  -0.766  -0.167
  103    HB2  CYS  18           1HB      CYS  18  -7.050  -0.003   2.139
  104    HB3  CYS  18           2HB      CYS  18  -5.597  -0.764   1.502
  105    H    GLY  19           H        GLY  19  -6.245   2.601  -0.193
  106    HA2  GLY  19           1HA      GLY  19  -7.811   4.205  -1.269
  107    HA3  GLY  19           2HA      GLY  19  -9.076   3.444  -0.314
  108    H    LYS  20           H        LYS  20  -5.924   5.046   0.135
  109    HA   LYS  20           HA       LYS  20  -7.116   6.541   2.369
  110    HB2  LYS  20           1HB      LYS  20  -4.653   4.871   2.347
  111    HB3  LYS  20           2HB      LYS  20  -4.598   6.380   3.248
  112    HG2  LYS  20           1HG      LYS  20  -6.190   5.686   4.769
  113    HG3  LYS  20           2HG      LYS  20  -6.854   4.471   3.674
  114    HD2  LYS  20           1HD      LYS  20  -4.750   3.179   3.911
  115    HD3  LYS  20           2HD      LYS  20  -4.196   4.361   5.099
  116    HE2  LYS  20           1HE      LYS  20  -6.814   2.937   5.432
  117    HE3  LYS  20           2HE      LYS  20  -5.301   2.186   5.936
  118    HZ1  LYS  20           3HZ      LYS  20  -4.881   4.109   7.358
  119    HZ2  LYS  20           1HZ      LYS  20  -6.331   3.341   7.772
  120    HZ3  LYS  20           2HZ      LYS  20  -6.360   4.789   6.897
  121    H    ALA  21           H        ALA  21  -6.727   8.677   2.355
  122    HA   ALA  21           HA       ALA  21  -5.057   9.728   0.193
  123    HB1  ALA  21           3HB      ALA  21  -6.628  11.278  -0.036
  124    HB2  ALA  21           1HB      ALA  21  -7.563  10.461   1.218
  125    HB3  ALA  21           2HB      ALA  21  -6.456  11.765   1.651
  126    H    PHE  22           H        PHE  22  -3.410  11.207   0.527
  127    HA   PHE  22           HA       PHE  22  -2.620  11.706   3.313
  128    HB2  PHE  22           1HB      PHE  22  -0.725  10.890   1.101
  129    HB3  PHE  22           2HB      PHE  22  -0.288  11.248   2.768
  130    HD1  PHE  22           HD1      PHE  22  -2.415   8.958   0.749
  131    HD2  PHE  22           HD2      PHE  22  -0.151   9.533   4.307
  132    HE1  PHE  22           HE1      PHE  22  -2.748   6.593   1.338
  133    HE2  PHE  22           HE2      PHE  22  -0.479   7.168   4.902
  134    HZ   PHE  22           HZ       PHE  22  -1.778   5.694   3.416
  135    H    THR  23           H        THR  23  -1.158  13.528   3.581
  136    HA   THR  23           HA       THR  23  -1.821  15.666   1.718
  137    HB   THR  23           HB       THR  23  -0.384  15.799   4.377
  138    HG1  THR  23           HG1      THR  23  -2.594  15.167   4.544
  139   HG21  THR  23          3HG2      THR  23  -0.821  17.750   2.280
  140   HG22  THR  23          1HG2      THR  23   0.162  17.870   3.738
  141   HG23  THR  23          2HG2      THR  23  -1.557  18.256   3.800
  142    H    ARG  24           H        ARG  24   0.881  13.711   2.662
  143    HA   ARG  24           HA       ARG  24   2.619  15.299   0.889
  144    HB2  ARG  24           1HB      ARG  24   3.169  13.964   3.506
  145    HB3  ARG  24           2HB      ARG  24   4.464  14.072   2.321
  146    HG2  ARG  24           1HG      ARG  24   2.898  16.455   3.271
  147    HG3  ARG  24           2HG      ARG  24   4.394  15.906   4.029
  148    HD2  ARG  24           1HD      ARG  24   4.381  16.323   1.086
  149    HD3  ARG  24           2HD      ARG  24   4.380  17.747   2.125
  150    HE   ARG  24           HE       ARG  24   6.565  15.977   1.645
  151   HH11  ARG  24          1HH1      ARG  24   5.123  18.078   4.016
  152   HH12  ARG  24          2HH1      ARG  24   6.616  18.389   4.839
  153   HH21  ARG  24          1HH2      ARG  24   8.537  16.378   2.720
  154   HH22  ARG  24          2HH2      ARG  24   8.557  17.422   4.100
  155    H    LYS  25           H        LYS  25   4.458  13.952  -0.025
  156    HA   LYS  25           HA       LYS  25   3.339  11.747  -1.443
  157    HB2  LYS  25           1HB      LYS  25   4.930  13.132  -2.576
  158    HB3  LYS  25           2HB      LYS  25   6.131  12.885  -1.315
  159    HG2  LYS  25           1HG      LYS  25   6.923  11.453  -2.892
  160    HG3  LYS  25           2HG      LYS  25   5.849  10.360  -2.016
  161    HD2  LYS  25           1HD      LYS  25   5.157   9.931  -4.148
  162    HD3  LYS  25           2HD      LYS  25   4.087  11.283  -3.768
  163    HE2  LYS  25           1HE      LYS  25   5.681  12.818  -4.841
  164    HE3  LYS  25           2HE      LYS  25   6.710  11.447  -5.251
  165    HZ1  LYS  25           3HZ      LYS  25   5.551  11.363  -7.132
  166    HZ2  LYS  25           1HZ      LYS  25   4.346  12.401  -6.554
  167    HZ3  LYS  25           2HZ      LYS  25   4.266  10.745  -6.221
  168    H    SER  26           H        SER  26   5.942  12.016   0.971
  169    HA   SER  26           HA       SER  26   6.698   9.380   1.154
  170    HB2  SER  26           1HB      SER  26   6.612  11.625   3.132
  171    HB3  SER  26           2HB      SER  26   7.028  10.007   3.696
  172    HG   SER  26           HG       SER  26   8.308  11.211   1.480
  173    H    GLY  27           H        GLY  27   4.230  10.960   3.198
  174    HA2  GLY  27           1HA      GLY  27   3.300   8.998   4.747
  175    HA3  GLY  27           2HA      GLY  27   2.195  10.079   3.912
  176    H    LEU  28           H        LEU  28   2.857   9.103   1.262
  177    HA   LEU  28           HA       LEU  28   1.150   6.760   1.283
  178    HB2  LEU  28           1HB      LEU  28   0.621   8.416  -0.338
  179    HB3  LEU  28           2HB      LEU  28   2.285   8.470  -0.916
  180    HG   LEU  28           HG       LEU  28   1.989   6.151  -1.781
  181   HD11  LEU  28          1HD1      LEU  28  -0.909   6.629  -1.103
  182   HD12  LEU  28          2HD1      LEU  28   0.159   5.479  -0.300
  183   HD13  LEU  28          3HD1      LEU  28  -0.259   5.255  -1.998
  184   HD21  LEU  28          3HD2      LEU  28   1.805   7.596  -3.520
  185   HD22  LEU  28          1HD2      LEU  28   0.523   8.533  -2.752
  186   HD23  LEU  28          2HD2      LEU  28   0.148   6.989  -3.518
  187    H    HIS  29           H        HIS  29   4.426   7.624   0.243
  188    HA   HIS  29           HA       HIS  29   5.193   5.229  -0.917
  189    HB2  HIS  29           1HB      HIS  29   6.693   7.381   0.534
  190    HB3  HIS  29           2HB      HIS  29   7.536   5.918   0.035
  191    HD2  HIS  29           HD2      HIS  29   4.897   7.213  -2.465
  192    HE1  HIS  29           HE1      HIS  29   8.720   8.344  -3.918
  193    HE2  HIS  29           HE2      HIS  29   6.249   8.271  -4.400
  194    H    ILE  30           H        ILE  30   5.611   6.214   2.484
  195    HA   ILE  30           HA       ILE  30   6.644   3.722   3.338
  196    HB   ILE  30           HB       ILE  30   5.253   5.834   4.989
  197   HG12  ILE  30          1HG1      ILE  30   7.787   6.280   5.550
  198   HG13  ILE  30          2HG1      ILE  30   8.056   5.527   3.982
  199   HG21  ILE  30          1HG2      ILE  30   5.816   3.321   5.780
  200   HG22  ILE  30          2HG2      ILE  30   7.339   4.121   6.166
  201   HG23  ILE  30          3HG2      ILE  30   5.830   4.715   6.859
  202   HD11  ILE  30          3HD1      ILE  30   6.036   7.682   4.117
  203   HD12  ILE  30          1HD1      ILE  30   7.730   8.140   4.280
  204   HD13  ILE  30          2HD1      ILE  30   7.185   7.277   2.842
  205    H    HIS  31           H        HIS  31   3.387   5.094   3.302
  206    HA   HIS  31           HA       HIS  31   2.084   3.104   4.773
  207    HB2  HIS  31           1HB      HIS  31   0.885   5.101   4.339
  208    HB3  HIS  31           2HB      HIS  31   1.134   4.965   2.601
  209    HD1  HIS  31           HD1      HIS  31  -0.603   2.932   5.317
  210    HD2  HIS  31           HD2      HIS  31  -1.054   4.026   1.334
  211    HE1  HIS  31           HE1      HIS  31  -2.802   1.948   4.594
  212    H    GLN  32           H        GLN  32   2.865   3.301   1.335
  213    HA   GLN  32           HA       GLN  32   1.405   1.133   0.399
  214    HB2  GLN  32           1HB      GLN  32   3.874   2.538  -0.480
  215    HB3  GLN  32           2HB      GLN  32   3.538   0.970  -1.202
  216    HG2  GLN  32           1HG      GLN  32   1.507   3.178  -1.138
  217    HG3  GLN  32           2HG      GLN  32   2.693   3.015  -2.432
  218   HE21  GLN  32          1HE2      GLN  32   1.328   2.519  -4.068
  219   HE22  GLN  32          2HE2      GLN  32   0.368   1.085  -4.126
  220    H    GLN  33           H        GLN  33   4.607   1.217   1.896
  221    HA   GLN  33           HA       GLN  33   5.568  -1.281   1.501
  222    HB2  GLN  33           1HB      GLN  33   5.532   0.258   4.100
  223    HB3  GLN  33           2HB      GLN  33   6.530  -1.160   3.808
  224    HG2  GLN  33           1HG      GLN  33   6.667   1.351   2.160
  225    HG3  GLN  33           2HG      GLN  33   7.699   1.026   3.552
  226   HE21  GLN  33          1HE2      GLN  33   7.005   0.259   0.256
  227   HE22  GLN  33          2HE2      GLN  33   8.408  -0.705  -0.037
  228    H    SER  34           H        SER  34   3.011  -0.387   3.773
  229    HA   SER  34           HA       SER  34   2.683  -2.749   5.147
  230    HB2  SER  34           1HB      SER  34   1.423  -0.677   5.628
  231    HB3  SER  34           2HB      SER  34   0.470  -0.928   4.165
  232    HG   SER  34           HG       SER  34   0.113  -1.979   6.604
  233    H    HIS  35           H        HIS  35   1.327  -1.864   1.992
  234    HA   HIS  35           HA       HIS  35   0.048  -4.427   1.666
  235    HB2  HIS  35           1HB      HIS  35   0.495  -2.344  -0.471
  236    HB3  HIS  35           2HB      HIS  35  -0.742  -3.596  -0.426
  237    HD1  HIS  35           HD1      HIS  35  -2.281  -3.261   1.979
  238    HD2  HIS  35           HD2      HIS  35  -0.595   0.045   0.111
  239    HE1  HIS  35           HE1      HIS  35  -3.603  -1.282   2.792
  240    H    THR  36           H        THR  36   2.748  -4.777   2.164
  241    HA   THR  36           HA       THR  36   3.724  -5.753  -0.441
  242    HB   THR  36           HB       THR  36   5.427  -4.795   1.868
  243    HG1  THR  36           HG1      THR  36   5.973  -3.137   0.260
  244   HG21  THR  36          3HG2      THR  36   7.092  -5.915   0.904
  245   HG22  THR  36          1HG2      THR  36   6.865  -4.965  -0.563
  246   HG23  THR  36          2HG2      THR  36   6.005  -6.491  -0.359
  247    H    GLY  37           H        GLY  37   4.179  -6.235   3.070
  248    HA2  GLY  37           1HA      GLY  37   5.035  -8.947   2.731
  249    HA3  GLY  37           2HA      GLY  37   4.670  -8.153   4.256
  250    H    GLU  38           H        GLU  38   2.355  -7.897   4.798
  251    HA   GLU  38           HA       GLU  38   0.972 -10.379   4.281
  252    HB2  GLU  38           1HB      GLU  38   1.077  -9.298   6.542
  253    HB3  GLU  38           2HB      GLU  38   0.042  -8.020   5.922
  254    HG2  GLU  38           1HG      GLU  38  -1.810  -9.342   5.877
  255    HG3  GLU  38           2HG      GLU  38  -0.885 -10.822   5.629
  256    H    ARG  39           H        ARG  39  -0.696 -10.696   2.941
  257    HA   ARG  39           HA       ARG  39  -1.817  -8.338   1.576
  258    HB2  ARG  39           1HB      ARG  39  -1.362 -11.153   0.589
  259    HB3  ARG  39           2HB      ARG  39  -2.362  -9.988  -0.269
  260    HG2  ARG  39           1HG      ARG  39  -0.411  -8.484  -0.432
  261    HG3  ARG  39           2HG      ARG  39   0.575  -9.729   0.338
  262    HD2  ARG  39           1HD      ARG  39   0.875  -9.849  -2.047
  263    HD3  ARG  39           2HD      ARG  39  -0.013 -11.273  -1.505
  264    HE   ARG  39           HE       ARG  39  -1.699  -9.118  -2.390
  265   HH11  ARG  39          1HH1      ARG  39   0.124 -11.920  -3.363
  266   HH12  ARG  39          2HH1      ARG  39  -0.810 -12.191  -4.797
  267   HH21  ARG  39          1HH2      ARG  39  -2.935  -9.464  -4.275
  268   HH22  ARG  39          2HH2      ARG  39  -2.549 -10.793  -5.315
  269    H    HIS  40           H        HIS  40  -3.557  -7.961   2.912
  270    HA   HIS  40           HA       HIS  40  -5.421 -10.152   3.433
  271    HB2  HIS  40           1HB      HIS  40  -4.688  -8.519   5.239
  272    HB3  HIS  40           2HB      HIS  40  -5.649  -7.303   4.403
  273    HD2  HIS  40           HD2      HIS  40  -8.374  -7.446   4.836
  274    HE1  HIS  40           HE1      HIS  40  -8.285 -10.872   7.337
  275    HE2  HIS  40           HE2      HIS  40  -9.722  -9.055   6.348
  276    H    SER  41           H        SER  41  -6.105 -10.337   1.215
  277    HA   SER  41           HA       SER  41  -8.432  -8.762   0.667
  278    HB2  SER  41           1HB      SER  41  -6.479  -7.356  -0.197
  279    HB3  SER  41           2HB      SER  41  -6.251  -8.610  -1.415
  280    HG   SER  41           HG       SER  41  -8.363  -6.796  -1.091
  281    H    GLY  42           H        GLY  42  -9.294  -9.399  -1.630
  282    HA2  GLY  42           1HA      GLY  42  -9.914 -11.047  -3.120
  283    HA3  GLY  42           2HA      GLY  42  -8.481 -11.947  -2.647
  284    HA   PRO  43           HA       PRO  43 -12.127 -13.070   0.377
  285    HB2  PRO  43           1HB      PRO  43 -14.600 -12.645  -0.658
  286    HB3  PRO  43           2HB      PRO  43 -13.750 -11.445   0.322
  287    HG2  PRO  43           1HG      PRO  43 -14.009 -11.619  -2.655
  288    HG3  PRO  43           2HG      PRO  43 -14.134 -10.197  -1.603
  289    HD2  PRO  43           1HD      PRO  43 -11.895 -10.775  -3.011
  290    HD3  PRO  43           2HD      PRO  43 -11.847  -9.967  -1.431
  291    H    SER  44           H        SER  44 -14.062 -14.707   0.090
  292    HA   SER  44           HA       SER  44 -13.379 -16.457  -2.182
  293    HB2  SER  44           1HB      SER  44 -14.342 -17.255   0.576
  294    HB3  SER  44           2HB      SER  44 -13.963 -18.363  -0.742
  295    HG   SER  44           HG       SER  44 -12.256 -18.000   0.858
  296    H    SER  45           H        SER  45 -14.935 -16.522  -3.649
  297    HA   SER  45           HA       SER  45 -16.982 -16.529  -4.643
  298    HB2  SER  45           1HB      SER  45 -17.133 -18.575  -3.108
  299    HB3  SER  45           2HB      SER  45 -18.098 -17.560  -2.036
  300    HG   SER  45           HG       SER  45 -19.524 -17.223  -3.825
  301    H    GLY  46           H        GLY  46 -16.230 -14.082  -3.610
  302    HA2  GLY  46           1HA      GLY  46 -18.611 -13.010  -2.272
  303    HA3  GLY  46           2HA      GLY  46 -17.069 -12.186  -2.447
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -26.603   7.028  14.338
    2    HA2  GLY   1           1HA      GLY   1 -24.303   5.375  13.545
    3    HA3  GLY   1           2HA      GLY   1 -25.628   5.604  12.414
    4    H    SER   2           H        SER   2 -25.535   7.289  11.072
    5    HA   SER   2           HA       SER   2 -24.677   9.095   9.978
    6    HB2  SER   2           1HB      SER   2 -24.733  10.042  12.839
    7    HB3  SER   2           2HB      SER   2 -24.226  11.101  11.523
    8    HG   SER   2           HG       SER   2 -26.720  10.348  12.259
    9    H    SER   3           H        SER   3 -22.804   7.076  10.446
   10    HA   SER   3           HA       SER   3 -20.340   8.652  10.807
   11    HB2  SER   3           1HB      SER   3 -19.253   6.776  11.817
   12    HB3  SER   3           2HB      SER   3 -20.800   6.967  12.642
   13    HG   SER   3           HG       SER   3 -21.616   5.314  11.235
   14    H    GLY   4           H        GLY   4 -18.978   8.661   9.133
   15    HA2  GLY   4           1HA      GLY   4 -18.059   6.772   7.500
   16    HA3  GLY   4           2HA      GLY   4 -19.647   7.049   6.800
   17    H    SER   5           H        SER   5 -16.619   7.675   6.180
   18    HA   SER   5           HA       SER   5 -17.231  10.145   4.784
   19    HB2  SER   5           1HB      SER   5 -15.231   9.953   7.008
   20    HB3  SER   5           2HB      SER   5 -14.921  11.041   5.655
   21    HG   SER   5           HG       SER   5 -17.417  11.099   6.939
   22    H    SER   6           H        SER   6 -15.821  10.583   3.046
   23    HA   SER   6           HA       SER   6 -13.965   8.393   2.383
   24    HB2  SER   6           1HB      SER   6 -15.785   9.870   0.465
   25    HB3  SER   6           2HB      SER   6 -14.631   8.610   0.028
   26    HG   SER   6           HG       SER   6 -16.697   7.727   0.254
   27    H    GLY   7           H        GLY   7 -12.399   9.049   0.610
   28    HA2  GLY   7           1HA      GLY   7 -11.073  11.456   1.452
   29    HA3  GLY   7           2HA      GLY   7 -10.522  10.340   0.212
   30    H    THR   8           H        THR   8 -10.035  12.792  -0.442
   31    HA   THR   8           HA       THR   8 -12.057  13.423  -2.468
   32    HB   THR   8           HB       THR   8 -11.745  15.858  -2.049
   33    HG1  THR   8           HG1      THR   8 -10.207  14.835   0.092
   34   HG21  THR   8          3HG2      THR   8 -13.669  14.563  -1.121
   35   HG22  THR   8          1HG2      THR   8 -13.247  15.992  -0.178
   36   HG23  THR   8          2HG2      THR   8 -12.765  14.391   0.383
   37    H    GLY   9           H        GLY   9 -11.255  14.274  -4.377
   38    HA2  GLY   9           1HA      GLY   9  -8.661  13.565  -5.134
   39    HA3  GLY   9           2HA      GLY   9  -9.706  14.660  -6.026
   40    H    GLU  10           H        GLU  10  -9.701  16.277  -3.356
   41    HA   GLU  10           HA       GLU  10  -8.114  18.359  -4.083
   42    HB2  GLU  10           1HB      GLU  10  -9.615  18.591  -2.232
   43    HB3  GLU  10           2HB      GLU  10  -8.756  17.367  -1.307
   44    HG2  GLU  10           1HG      GLU  10  -7.046  18.784  -0.750
   45    HG3  GLU  10           2HG      GLU  10  -7.288  19.808  -2.164
   46    H    LYS  11           H        LYS  11  -7.122  15.568  -2.135
   47    HA   LYS  11           HA       LYS  11  -4.398  16.495  -1.941
   48    HB2  LYS  11           1HB      LYS  11  -5.714  13.890  -1.160
   49    HB3  LYS  11           2HB      LYS  11  -4.017  14.252  -0.876
   50    HG2  LYS  11           1HG      LYS  11  -4.512  15.909   0.695
   51    HG3  LYS  11           2HG      LYS  11  -6.192  16.032   0.167
   52    HD2  LYS  11           1HD      LYS  11  -6.782  14.014   1.198
   53    HD3  LYS  11           2HD      LYS  11  -5.102  13.490   1.335
   54    HE2  LYS  11           1HE      LYS  11  -6.181  15.897   2.781
   55    HE3  LYS  11           2HE      LYS  11  -6.228  14.275   3.470
   56    HZ1  LYS  11           3HZ      LYS  11  -3.762  15.677   2.590
   57    HZ2  LYS  11           1HZ      LYS  11  -3.839  14.157   3.330
   58    HZ3  LYS  11           2HZ      LYS  11  -4.282  15.542   4.194
   59    HA   PRO  12           HA       PRO  12  -2.883  14.736  -5.681
   60    HB2  PRO  12           1HB      PRO  12  -0.267  14.470  -5.005
   61    HB3  PRO  12           2HB      PRO  12  -1.014  16.033  -5.358
   62    HG2  PRO  12           1HG      PRO  12  -0.433  14.767  -2.708
   63    HG3  PRO  12           2HG      PRO  12  -0.197  16.448  -3.221
   64    HD2  PRO  12           1HD      PRO  12  -2.316  15.664  -1.729
   65    HD3  PRO  12           2HD      PRO  12  -2.416  16.987  -2.909
   66    H    TYR  13           H        TYR  13  -2.106  13.175  -2.609
   67    HA   TYR  13           HA       TYR  13  -1.614  10.638  -3.978
   68    HB2  TYR  13           1HB      TYR  13  -1.428  11.107  -1.009
   69    HB3  TYR  13           2HB      TYR  13  -0.640   9.861  -1.970
   70    HD1  TYR  13           HD1      TYR  13   0.935  10.881  -3.901
   71    HD2  TYR  13           HD2      TYR  13  -0.107  12.841  -0.271
   72    HE1  TYR  13           HE1      TYR  13   2.940  12.292  -4.094
   73    HE2  TYR  13           HE2      TYR  13   1.895  14.258  -0.455
   74    HH   TYR  13           HH       TYR  13   3.415  15.071  -2.264
   75    H    LYS  14           H        LYS  14  -2.892   8.857  -3.758
   76    HA   LYS  14           HA       LYS  14  -5.016   8.698  -1.845
   77    HB2  LYS  14           1HB      LYS  14  -6.177  10.172  -3.314
   78    HB3  LYS  14           2HB      LYS  14  -5.652   9.279  -4.736
   79    HG2  LYS  14           1HG      LYS  14  -7.869   8.652  -4.480
   80    HG3  LYS  14           2HG      LYS  14  -6.977   7.317  -3.745
   81    HD2  LYS  14           1HD      LYS  14  -7.424   8.139  -1.545
   82    HD3  LYS  14           2HD      LYS  14  -8.101   9.639  -2.184
   83    HE2  LYS  14           1HE      LYS  14 -10.000   8.515  -3.050
   84    HE3  LYS  14           2HE      LYS  14  -9.269   6.933  -2.788
   85    HZ1  LYS  14           3HZ      LYS  14  -9.253   7.809  -0.315
   86    HZ2  LYS  14           1HZ      LYS  14 -10.604   7.034  -0.976
   87    HZ3  LYS  14           2HZ      LYS  14 -10.562   8.722  -0.876
   88    H    CYS  15           H        CYS  15  -4.640   6.654  -1.265
   89    HA   CYS  15           HA       CYS  15  -3.706   4.651  -3.064
   90    HB2  CYS  15           1HB      CYS  15  -3.168   4.623  -0.660
   91    HB3  CYS  15           2HB      CYS  15  -4.868   4.358  -0.286
   92    H    SER  16           H        SER  16  -4.783   2.775  -3.778
   93    HA   SER  16           HA       SER  16  -7.711   3.069  -3.920
   94    HB2  SER  16           1HB      SER  16  -7.582   1.823  -6.054
   95    HB3  SER  16           2HB      SER  16  -6.641   3.313  -6.105
   96    HG   SER  16           HG       SER  16  -5.589   1.362  -6.943
   97    H    ASP  17           H        ASP  17  -5.078   0.994  -3.087
   98    HA   ASP  17           HA       ASP  17  -6.314  -1.507  -3.130
   99    HB2  ASP  17           1HB      ASP  17  -4.135  -0.384  -1.371
  100    HB3  ASP  17           2HB      ASP  17  -4.652  -2.066  -1.282
  101    H    CYS  18           H        CYS  18  -6.072   0.827  -0.452
  102    HA   CYS  18           HA       CYS  18  -8.241  -0.628   0.906
  103    HB2  CYS  18           1HB      CYS  18  -7.448   0.479   2.976
  104    HB3  CYS  18           2HB      CYS  18  -6.210  -0.529   2.234
  105    H    GLY  19           H        GLY  19  -7.074   2.597   0.025
  106    HA2  GLY  19           1HA      GLY  19  -8.682   4.186  -0.868
  107    HA3  GLY  19           2HA      GLY  19  -9.855   3.555   0.278
  108    H    LYS  20           H        LYS  20  -6.613   5.040   0.287
  109    HA   LYS  20           HA       LYS  20  -7.539   6.813   2.441
  110    HB2  LYS  20           1HB      LYS  20  -5.188   4.990   2.421
  111    HB3  LYS  20           2HB      LYS  20  -4.972   6.576   3.151
  112    HG2  LYS  20           1HG      LYS  20  -6.705   6.162   4.738
  113    HG3  LYS  20           2HG      LYS  20  -7.166   4.667   3.921
  114    HD2  LYS  20           1HD      LYS  20  -4.622   4.074   4.386
  115    HD3  LYS  20           2HD      LYS  20  -4.850   5.235   5.696
  116    HE2  LYS  20           1HE      LYS  20  -6.771   2.974   5.236
  117    HE3  LYS  20           2HE      LYS  20  -5.303   2.760   6.189
  118    HZ1  LYS  20           3HZ      LYS  20  -7.576   4.577   6.748
  119    HZ2  LYS  20           1HZ      LYS  20  -6.091   4.694   7.550
  120    HZ3  LYS  20           2HZ      LYS  20  -7.020   3.288   7.693
  121    H    ALA  21           H        ALA  21  -5.883   8.648   2.767
  122    HA   ALA  21           HA       ALA  21  -4.634   9.436   0.235
  123    HB1  ALA  21           3HB      ALA  21  -6.349  11.360   1.781
  124    HB2  ALA  21           1HB      ALA  21  -5.672  11.551   0.163
  125    HB3  ALA  21           2HB      ALA  21  -6.971  10.392   0.445
  126    H    PHE  22           H        PHE  22  -3.241  11.405   0.519
  127    HA   PHE  22           HA       PHE  22  -2.294  11.874   3.226
  128    HB2  PHE  22           1HB      PHE  22  -0.351  10.959   1.103
  129    HB3  PHE  22           2HB      PHE  22  -0.020  11.250   2.807
  130    HD1  PHE  22           HD1      PHE  22  -1.839   9.034   0.468
  131    HD2  PHE  22           HD2      PHE  22  -0.284   9.549   4.397
  132    HE1  PHE  22           HE1      PHE  22  -2.288   6.664   0.953
  133    HE2  PHE  22           HE2      PHE  22  -0.730   7.179   4.888
  134    HZ   PHE  22           HZ       PHE  22  -1.733   5.734   3.164
  135    H    THR  23           H        THR  23  -0.467  13.535   3.190
  136    HA   THR  23           HA       THR  23  -1.120  15.560   1.157
  137    HB   THR  23           HB       THR  23   0.130  16.029   3.869
  138    HG1  THR  23           HG1      THR  23  -2.093  15.226   3.908
  139   HG21  THR  23          3HG2      THR  23  -0.603  18.373   3.433
  140   HG22  THR  23          1HG2      THR  23  -1.041  17.886   1.796
  141   HG23  THR  23          2HG2      THR  23   0.641  17.800   2.322
  142    H    ARG  24           H        ARG  24   1.468  13.768   2.653
  143    HA   ARG  24           HA       ARG  24   3.403  15.143   0.906
  144    HB2  ARG  24           1HB      ARG  24   3.680  13.914   3.628
  145    HB3  ARG  24           2HB      ARG  24   5.081  14.046   2.575
  146    HG2  ARG  24           1HG      ARG  24   3.403  16.457   3.078
  147    HG3  ARG  24           2HG      ARG  24   4.544  15.915   4.310
  148    HD2  ARG  24           1HD      ARG  24   5.343  16.345   1.444
  149    HD3  ARG  24           2HD      ARG  24   5.383  17.640   2.640
  150    HE   ARG  24           HE       ARG  24   6.782  15.359   3.576
  151   HH11  ARG  24          1HH1      ARG  24   7.038  18.034   1.362
  152   HH12  ARG  24          2HH1      ARG  24   8.769  18.081   1.415
  153   HH21  ARG  24          1HH2      ARG  24   9.061  15.412   3.655
  154   HH22  ARG  24          2HH2      ARG  24   9.919  16.589   2.719
  155    H    LYS  25           H        LYS  25   5.018  13.861  -0.125
  156    HA   LYS  25           HA       LYS  25   4.067  11.546  -1.357
  157    HB2  LYS  25           1HB      LYS  25   5.936  13.101  -2.128
  158    HB3  LYS  25           2HB      LYS  25   6.991  12.211  -1.037
  159    HG2  LYS  25           1HG      LYS  25   7.299  11.278  -3.179
  160    HG3  LYS  25           2HG      LYS  25   6.320  10.123  -2.271
  161    HD2  LYS  25           1HD      LYS  25   4.333  10.804  -3.394
  162    HD3  LYS  25           2HD      LYS  25   5.147  12.191  -4.122
  163    HE2  LYS  25           1HE      LYS  25   6.700  10.396  -5.175
  164    HE3  LYS  25           2HE      LYS  25   5.387   9.283  -4.792
  165    HZ1  LYS  25           3HZ      LYS  25   3.892  10.590  -6.120
  166    HZ2  LYS  25           1HZ      LYS  25   5.246  10.193  -7.054
  167    HZ3  LYS  25           2HZ      LYS  25   5.086  11.751  -6.415
  168    H    SER  26           H        SER  26   6.341  11.915   1.343
  169    HA   SER  26           HA       SER  26   6.996   9.225   1.682
  170    HB2  SER  26           1HB      SER  26   7.588   9.857   4.008
  171    HB3  SER  26           2HB      SER  26   8.221  10.997   2.820
  172    HG   SER  26           HG       SER  26   7.133  12.489   3.798
  173    H    GLY  27           H        GLY  27   4.364  11.125   3.123
  174    HA2  GLY  27           1HA      GLY  27   3.287   9.341   4.891
  175    HA3  GLY  27           2HA      GLY  27   2.315  10.440   3.924
  176    H    LEU  28           H        LEU  28   2.989   9.273   1.382
  177    HA   LEU  28           HA       LEU  28   1.152   7.031   1.471
  178    HB2  LEU  28           1HB      LEU  28   0.792   8.668  -0.240
  179    HB3  LEU  28           2HB      LEU  28   2.456   8.517  -0.801
  180    HG   LEU  28           HG       LEU  28   1.850   6.105  -1.397
  181   HD11  LEU  28          1HD1      LEU  28  -0.940   7.228  -1.203
  182   HD12  LEU  28          2HD1      LEU  28  -0.243   6.059  -0.082
  183   HD13  LEU  28          3HD1      LEU  28  -0.478   5.625  -1.774
  184   HD21  LEU  28          3HD2      LEU  28   0.608   8.437  -2.850
  185   HD22  LEU  28          1HD2      LEU  28   0.805   6.820  -3.528
  186   HD23  LEU  28          2HD2      LEU  28   2.225   7.772  -3.090
  187    H    HIS  29           H        HIS  29   4.480   7.660   0.407
  188    HA   HIS  29           HA       HIS  29   5.194   5.233  -0.625
  189    HB2  HIS  29           1HB      HIS  29   6.695   7.296   0.932
  190    HB3  HIS  29           2HB      HIS  29   7.489   5.766   0.572
  191    HD2  HIS  29           HD2      HIS  29   5.205   7.421  -2.129
  192    HE1  HIS  29           HE1      HIS  29   9.244   7.743  -3.385
  193    HE2  HIS  29           HE2      HIS  29   6.836   8.161  -3.994
  194    H    ILE  30           H        ILE  30   5.556   6.143   2.807
  195    HA   ILE  30           HA       ILE  30   6.353   3.637   3.737
  196    HB   ILE  30           HB       ILE  30   4.780   5.742   5.227
  197   HG12  ILE  30          1HG1      ILE  30   7.757   5.275   5.309
  198   HG13  ILE  30          2HG1      ILE  30   7.019   6.386   4.160
  199   HG21  ILE  30          1HG2      ILE  30   6.611   4.086   6.760
  200   HG22  ILE  30          2HG2      ILE  30   4.929   4.507   7.078
  201   HG23  ILE  30          3HG2      ILE  30   5.313   3.155   6.012
  202   HD11  ILE  30          3HD1      ILE  30   7.808   7.628   6.038
  203   HD12  ILE  30          1HD1      ILE  30   6.045   7.624   6.074
  204   HD13  ILE  30          2HD1      ILE  30   6.952   6.570   7.159
  205    H    HIS  31           H        HIS  31   3.125   4.992   3.283
  206    HA   HIS  31           HA       HIS  31   1.671   2.948   4.552
  207    HB2  HIS  31           1HB      HIS  31   0.507   4.953   4.088
  208    HB3  HIS  31           2HB      HIS  31   0.965   4.921   2.388
  209    HD1  HIS  31           HD1      HIS  31  -1.017   2.645   4.720
  210    HD2  HIS  31           HD2      HIS  31  -1.099   4.140   0.845
  211    HE1  HIS  31           HE1      HIS  31  -3.118   1.725   3.689
  212    H    GLN  32           H        GLN  32   2.745   3.333   1.201
  213    HA   GLN  32           HA       GLN  32   1.429   1.160   0.069
  214    HB2  GLN  32           1HB      GLN  32   3.905   2.682  -0.581
  215    HB3  GLN  32           2HB      GLN  32   3.636   1.157  -1.415
  216    HG2  GLN  32           1HG      GLN  32   1.588   3.351  -1.329
  217    HG3  GLN  32           2HG      GLN  32   2.821   3.233  -2.584
  218   HE21  GLN  32          1HE2      GLN  32  -0.287   2.637  -2.009
  219   HE22  GLN  32          2HE2      GLN  32  -0.552   1.279  -3.043
  220    H    GLN  33           H        GLN  33   4.707   1.278   1.458
  221    HA   GLN  33           HA       GLN  33   5.574  -1.260   1.075
  222    HB2  GLN  33           1HB      GLN  33   5.861   0.549   3.458
  223    HB3  GLN  33           2HB      GLN  33   6.621  -1.037   3.427
  224    HG2  GLN  33           1HG      GLN  33   7.067   1.076   1.335
  225    HG3  GLN  33           2HG      GLN  33   8.097   0.849   2.747
  226   HE21  GLN  33          1HE2      GLN  33   9.796   0.508   1.191
  227   HE22  GLN  33          2HE2      GLN  33   9.995  -1.048   0.467
  228    H    SER  34           H        SER  34   3.511  -0.222   3.785
  229    HA   SER  34           HA       SER  34   3.208  -2.542   5.167
  230    HB2  SER  34           1HB      SER  34   1.384  -0.255   4.608
  231    HB3  SER  34           2HB      SER  34   0.679  -1.693   5.346
  232    HG   SER  34           HG       SER  34   1.377  -0.454   7.017
  233    H    HIS  35           H        HIS  35   1.053  -1.569   2.493
  234    HA   HIS  35           HA       HIS  35  -0.488  -3.809   2.271
  235    HB2  HIS  35           1HB      HIS  35   0.590  -1.945   0.172
  236    HB3  HIS  35           2HB      HIS  35  -0.460  -3.290  -0.264
  237    HD1  HIS  35           HD1      HIS  35  -2.827  -3.273   1.203
  238    HD2  HIS  35           HD2      HIS  35  -0.781   0.312   0.734
  239    HE1  HIS  35           HE1      HIS  35  -4.514  -1.469   1.674
  240    H    THR  36           H        THR  36   2.575  -3.283   0.519
  241    HA   THR  36           HA       THR  36   2.768  -5.745  -0.722
  242    HB   THR  36           HB       THR  36   5.099  -4.180   0.398
  243    HG1  THR  36           HG1      THR  36   4.946  -2.908  -1.360
  244   HG21  THR  36          3HG2      THR  36   6.066  -5.171  -1.840
  245   HG22  THR  36          1HG2      THR  36   4.814  -6.387  -1.589
  246   HG23  THR  36          2HG2      THR  36   6.054  -6.131  -0.361
  247    H    GLY  37           H        GLY  37   3.960  -7.657  -0.230
  248    HA2  GLY  37           1HA      GLY  37   5.193  -9.030   1.311
  249    HA3  GLY  37           2HA      GLY  37   4.517  -8.085   2.629
  250    H    GLU  38           H        GLU  38   3.058  -9.133   3.786
  251    HA   GLU  38           HA       GLU  38   1.232 -10.983   2.411
  252    HB2  GLU  38           1HB      GLU  38   2.951 -12.317   3.521
  253    HB3  GLU  38           2HB      GLU  38   2.638 -11.488   5.039
  254    HG2  GLU  38           1HG      GLU  38   0.555 -12.513   5.305
  255    HG3  GLU  38           2HG      GLU  38   0.492 -13.020   3.618
  256    H    ARG  39           H        ARG  39  -0.690 -10.020   2.561
  257    HA   ARG  39           HA       ARG  39  -1.841  -9.538   5.151
  258    HB2  ARG  39           1HB      ARG  39  -0.579  -7.424   4.667
  259    HB3  ARG  39           2HB      ARG  39  -1.605  -7.197   3.257
  260    HG2  ARG  39           1HG      ARG  39  -2.866  -7.568   5.931
  261    HG3  ARG  39           2HG      ARG  39  -2.160  -6.007   5.508
  262    HD2  ARG  39           1HD      ARG  39  -3.543  -6.082   3.404
  263    HD3  ARG  39           2HD      ARG  39  -4.367  -7.482   4.089
  264    HE   ARG  39           HE       ARG  39  -4.403  -5.313   5.909
  265   HH11  ARG  39          1HH1      ARG  39  -5.856  -6.447   2.955
  266   HH12  ARG  39          2HH1      ARG  39  -7.337  -5.583   3.199
  267   HH21  ARG  39          1HH2      ARG  39  -6.349  -4.170   6.241
  268   HH22  ARG  39          2HH2      ARG  39  -7.617  -4.287   5.067
  269    H    HIS  40           H        HIS  40  -3.763 -10.460   4.957
  270    HA   HIS  40           HA       HIS  40  -5.034 -11.234   2.652
  271    HB2  HIS  40           1HB      HIS  40  -7.044 -11.522   3.973
  272    HB3  HIS  40           2HB      HIS  40  -5.647 -11.977   4.944
  273    HD2  HIS  40           HD2      HIS  40  -4.801  -9.344   6.421
  274    HE1  HIS  40           HE1      HIS  40  -8.909  -8.728   7.283
  275    HE2  HIS  40           HE2      HIS  40  -6.545  -8.040   7.816
  276    H    SER  41           H        SER  41  -5.577 -10.002   0.977
  277    HA   SER  41           HA       SER  41  -6.704  -7.335   1.482
  278    HB2  SER  41           1HB      SER  41  -4.652  -7.526   0.035
  279    HB3  SER  41           2HB      SER  41  -5.632  -8.411  -1.133
  280    HG   SER  41           HG       SER  41  -6.143  -6.510  -1.853
  281    H    GLY  42           H        GLY  42  -8.781  -8.290   2.005
  282    HA2  GLY  42           1HA      GLY  42 -10.998  -8.351   1.232
  283    HA3  GLY  42           2HA      GLY  42 -10.399  -8.615  -0.399
  284    HA   PRO  43           HA       PRO  43 -10.175 -12.922   1.787
  285    HB2  PRO  43           1HB      PRO  43 -11.278 -13.096   4.262
  286    HB3  PRO  43           2HB      PRO  43  -9.578 -12.693   3.994
  287    HG2  PRO  43           1HG      PRO  43 -11.887 -10.877   4.567
  288    HG3  PRO  43           2HG      PRO  43 -10.244 -10.840   5.231
  289    HD2  PRO  43           1HD      PRO  43 -11.048  -9.190   3.240
  290    HD3  PRO  43           2HD      PRO  43  -9.381  -9.786   3.371
  291    H    SER  44           H        SER  44 -11.715 -13.454   0.246
  292    HA   SER  44           HA       SER  44 -13.697 -14.258  -0.531
  293    HB2  SER  44           1HB      SER  44 -14.678 -14.136   2.326
  294    HB3  SER  44           2HB      SER  44 -15.290 -15.158   1.026
  295    HG   SER  44           HG       SER  44 -13.839 -16.219   2.526
  296    H    SER  45           H        SER  45 -13.173 -11.366  -0.217
  297    HA   SER  45           HA       SER  45 -15.968 -10.428  -0.256
  298    HB2  SER  45           1HB      SER  45 -14.570  -9.585   1.685
  299    HB3  SER  45           2HB      SER  45 -13.587  -8.727   0.499
  300    HG   SER  45           HG       SER  45 -15.063  -7.245   0.938
  301    H    GLY  46           H        GLY  46 -16.585  -9.903  -2.239
  302    HA2  GLY  46           1HA      GLY  46 -15.164  -8.076  -3.868
  303    HA3  GLY  46           2HA      GLY  46 -14.918  -9.711  -4.464
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -35.971   9.105  -1.835
    2    HA2  GLY   1           1HA      GLY   1 -34.738   7.055  -2.920
    3    HA3  GLY   1           2HA      GLY   1 -34.855   8.082  -4.341
    4    H    SER   2           H        SER   2 -32.407   7.243  -3.387
    5    HA   SER   2           HA       SER   2 -31.165   9.798  -2.820
    6    HB2  SER   2           1HB      SER   2 -29.973   9.092  -0.852
    7    HB3  SER   2           2HB      SER   2 -31.689   8.795  -0.573
    8    HG   SER   2           HG       SER   2 -31.338   6.613  -1.047
    9    H    SER   3           H        SER   3 -29.392   9.988  -4.016
   10    HA   SER   3           HA       SER   3 -28.474   7.892  -5.672
   11    HB2  SER   3           1HB      SER   3 -28.289  10.516  -5.906
   12    HB3  SER   3           2HB      SER   3 -26.742  10.263  -5.098
   13    HG   SER   3           HG       SER   3 -26.291   8.698  -6.777
   14    H    GLY   4           H        GLY   4 -27.084   9.409  -2.772
   15    HA2  GLY   4           1HA      GLY   4 -25.606   8.577  -1.219
   16    HA3  GLY   4           2HA      GLY   4 -25.880   6.984  -1.909
   17    H    SER   5           H        SER   5 -24.199  10.039  -2.630
   18    HA   SER   5           HA       SER   5 -22.089   8.466  -3.946
   19    HB2  SER   5           1HB      SER   5 -21.434  10.671  -4.979
   20    HB3  SER   5           2HB      SER   5 -23.024  10.078  -5.460
   21    HG   SER   5           HG       SER   5 -22.683  12.404  -4.690
   22    H    SER   6           H        SER   6 -20.456   8.047  -2.617
   23    HA   SER   6           HA       SER   6 -19.842   9.772  -0.384
   24    HB2  SER   6           1HB      SER   6 -18.858   7.116  -1.359
   25    HB3  SER   6           2HB      SER   6 -17.881   8.022  -0.203
   26    HG   SER   6           HG       SER   6 -19.268   7.563   1.309
   27    H    GLY   7           H        GLY   7 -17.784  10.747  -0.004
   28    HA2  GLY   7           1HA      GLY   7 -15.739  10.870  -1.960
   29    HA3  GLY   7           2HA      GLY   7 -16.795  12.266  -2.118
   30    H    THR   8           H        THR   8 -14.403  10.678  -0.165
   31    HA   THR   8           HA       THR   8 -14.066  13.169   1.355
   32    HB   THR   8           HB       THR   8 -13.529  11.845   3.391
   33    HG1  THR   8           HG1      THR   8 -14.167   9.755   1.639
   34   HG21  THR   8          3HG2      THR   8 -16.170  10.862   3.201
   35   HG22  THR   8          1HG2      THR   8 -16.104  12.344   2.249
   36   HG23  THR   8          2HG2      THR   8 -15.623  12.364   3.945
   37    H    GLY   9           H        GLY   9 -12.056  13.912   1.192
   38    HA2  GLY   9           1HA      GLY   9  -9.675  13.106   1.728
   39    HA3  GLY   9           2HA      GLY   9  -9.945  12.033   0.362
   40    H    GLU  10           H        GLU  10  -8.883  15.088   1.350
   41    HA   GLU  10           HA       GLU  10  -8.748  15.972  -1.457
   42    HB2  GLU  10           1HB      GLU  10  -9.455  17.489   1.018
   43    HB3  GLU  10           2HB      GLU  10  -8.609  18.328  -0.275
   44    HG2  GLU  10           1HG      GLU  10 -10.377  18.193  -1.714
   45    HG3  GLU  10           2HG      GLU  10 -11.022  16.736  -0.961
   46    H    LYS  11           H        LYS  11  -6.700  14.734  -1.356
   47    HA   LYS  11           HA       LYS  11  -4.538  16.467  -0.379
   48    HB2  LYS  11           1HB      LYS  11  -4.993  13.583   0.201
   49    HB3  LYS  11           2HB      LYS  11  -3.336  14.102  -0.081
   50    HG2  LYS  11           1HG      LYS  11  -3.595  14.239   2.226
   51    HG3  LYS  11           2HG      LYS  11  -3.793  15.904   1.673
   52    HD2  LYS  11           1HD      LYS  11  -6.041  15.931   2.127
   53    HD3  LYS  11           2HD      LYS  11  -6.216  14.188   1.911
   54    HE2  LYS  11           1HE      LYS  11  -4.992  13.840   4.028
   55    HE3  LYS  11           2HE      LYS  11  -4.920  15.588   4.249
   56    HZ1  LYS  11           3HZ      LYS  11  -7.160  15.718   4.669
   57    HZ2  LYS  11           1HZ      LYS  11  -6.791  14.225   5.374
   58    HZ3  LYS  11           2HZ      LYS  11  -7.525  14.282   3.851
   59    HA   PRO  12           HA       PRO  12  -2.684  15.989  -4.326
   60    HB2  PRO  12           1HB      PRO  12  -0.040  15.844  -3.725
   61    HB3  PRO  12           2HB      PRO  12  -0.976  17.337  -3.587
   62    HG2  PRO  12           1HG      PRO  12  -0.188  15.391  -1.453
   63    HG3  PRO  12           2HG      PRO  12  -0.166  17.164  -1.414
   64    HD2  PRO  12           1HD      PRO  12  -2.142  15.706  -0.273
   65    HD3  PRO  12           2HD      PRO  12  -2.426  17.308  -0.985
   66    H    TYR  13           H        TYR  13  -2.315  13.532  -1.963
   67    HA   TYR  13           HA       TYR  13  -1.693  11.596  -4.080
   68    HB2  TYR  13           1HB      TYR  13  -0.492  11.342  -1.330
   69    HB3  TYR  13           2HB      TYR  13  -0.051  10.481  -2.800
   70    HD1  TYR  13           HD1      TYR  13   1.037  11.819  -4.683
   71    HD2  TYR  13           HD2      TYR  13   0.625  13.309  -0.719
   72    HE1  TYR  13           HE1      TYR  13   2.802  13.473  -5.128
   73    HE2  TYR  13           HE2      TYR  13   2.388  14.968  -1.153
   74    HH   TYR  13           HH       TYR  13   3.314  15.999  -3.877
   75    H    LYS  14           H        LYS  14  -2.196   9.336  -3.403
   76    HA   LYS  14           HA       LYS  14  -3.833   8.792  -1.167
   77    HB2  LYS  14           1HB      LYS  14  -5.472  10.150  -2.364
   78    HB3  LYS  14           2HB      LYS  14  -5.274   9.155  -3.801
   79    HG2  LYS  14           1HG      LYS  14  -6.472   7.412  -2.930
   80    HG3  LYS  14           2HG      LYS  14  -6.095   7.842  -1.261
   81    HD2  LYS  14           1HD      LYS  14  -8.282   8.501  -1.340
   82    HD3  LYS  14           2HD      LYS  14  -7.507   9.994  -1.876
   83    HE2  LYS  14           1HE      LYS  14  -7.891   9.360  -4.204
   84    HE3  LYS  14           2HE      LYS  14  -8.646   7.857  -3.676
   85    HZ1  LYS  14           3HZ      LYS  14  -9.849  10.345  -4.033
   86    HZ2  LYS  14           1HZ      LYS  14  -9.894  10.010  -2.375
   87    HZ3  LYS  14           2HZ      LYS  14 -10.563   8.916  -3.478
   88    H    CYS  15           H        CYS  15  -4.019   6.629  -0.857
   89    HA   CYS  15           HA       CYS  15  -2.485   4.885  -2.469
   90    HB2  CYS  15           1HB      CYS  15  -3.130   4.724   0.053
   91    HB3  CYS  15           2HB      CYS  15  -4.566   3.898  -0.545
   92    H    SER  16           H        SER  16  -3.422   2.749  -3.271
   93    HA   SER  16           HA       SER  16  -5.971   3.245  -4.667
   94    HB2  SER  16           1HB      SER  16  -5.016   1.875  -6.553
   95    HB3  SER  16           2HB      SER  16  -4.221   3.429  -6.304
   96    HG   SER  16           HG       SER  16  -2.493   2.215  -6.277
   97    H    ASP  17           H        ASP  17  -3.898   0.991  -3.009
   98    HA   ASP  17           HA       ASP  17  -5.402  -1.358  -3.525
   99    HB2  ASP  17           1HB      ASP  17  -3.130  -1.583  -2.786
  100    HB3  ASP  17           2HB      ASP  17  -3.454  -0.651  -1.327
  101    H    CYS  18           H        CYS  18  -5.411   0.988  -0.869
  102    HA   CYS  18           HA       CYS  18  -7.925  -0.221   0.084
  103    HB2  CYS  18           1HB      CYS  18  -7.382   0.653   2.309
  104    HB3  CYS  18           2HB      CYS  18  -6.107  -0.411   1.723
  105    H    GLY  19           H        GLY  19  -6.190   2.801  -0.506
  106    HA2  GLY  19           1HA      GLY  19  -7.268   4.682  -1.507
  107    HA3  GLY  19           2HA      GLY  19  -8.790   4.133  -0.822
  108    H    LYS  20           H        LYS  20  -5.626   5.471   0.047
  109    HA   LYS  20           HA       LYS  20  -6.947   6.926   2.234
  110    HB2  LYS  20           1HB      LYS  20  -5.433   4.870   2.865
  111    HB3  LYS  20           2HB      LYS  20  -4.120   5.997   2.550
  112    HG2  LYS  20           1HG      LYS  20  -5.070   7.540   4.209
  113    HG3  LYS  20           2HG      LYS  20  -6.343   6.366   4.548
  114    HD2  LYS  20           1HD      LYS  20  -4.524   4.724   5.124
  115    HD3  LYS  20           2HD      LYS  20  -3.381   6.065   5.018
  116    HE2  LYS  20           1HE      LYS  20  -5.801   6.067   6.813
  117    HE3  LYS  20           2HE      LYS  20  -4.203   5.534   7.332
  118    HZ1  LYS  20           3HZ      LYS  20  -4.978   8.247   6.419
  119    HZ2  LYS  20           1HZ      LYS  20  -3.375   7.767   6.669
  120    HZ3  LYS  20           2HZ      LYS  20  -4.462   7.793   7.964
  121    H    ALA  21           H        ALA  21  -6.850   9.011   1.743
  122    HA   ALA  21           HA       ALA  21  -4.932  10.094  -0.074
  123    HB1  ALA  21           3HB      ALA  21  -6.459  11.692  -0.251
  124    HB2  ALA  21           1HB      ALA  21  -7.402  10.900   1.012
  125    HB3  ALA  21           2HB      ALA  21  -6.227  12.144   1.438
  126    H    PHE  22           H        PHE  22  -2.990  10.933   0.328
  127    HA   PHE  22           HA       PHE  22  -2.278  11.505   3.130
  128    HB2  PHE  22           1HB      PHE  22  -0.432  10.559   0.928
  129    HB3  PHE  22           2HB      PHE  22   0.009  10.841   2.609
  130    HD1  PHE  22           HD2      PHE  22  -0.938   9.366   4.385
  131    HD2  PHE  22           HD1      PHE  22  -1.390   8.524   0.237
  132    HE1  PHE  22           HE2      PHE  22  -1.496   7.031   4.923
  133    HE2  PHE  22           HE1      PHE  22  -1.949   6.188   0.769
  134    HZ   PHE  22           HZ       PHE  22  -2.002   5.438   3.114
  135    H    THR  23           H        THR  23  -1.607  13.500   3.590
  136    HA   THR  23           HA       THR  23  -1.715  15.571   1.677
  137    HB   THR  23           HB       THR  23  -2.155  16.021   4.028
  138    HG1  THR  23           HG1      THR  23  -1.513  17.919   3.310
  139   HG21  THR  23          3HG2      THR  23   0.215  16.259   5.333
  140   HG22  THR  23          1HG2      THR  23   0.514  14.825   4.353
  141   HG23  THR  23          2HG2      THR  23  -0.855  14.863   5.464
  142    H    ARG  24           H        ARG  24   0.895  13.590   2.878
  143    HA   ARG  24           HA       ARG  24   2.769  15.086   1.165
  144    HB2  ARG  24           1HB      ARG  24   3.476  13.441   3.598
  145    HB3  ARG  24           2HB      ARG  24   4.566  14.439   2.646
  146    HG2  ARG  24           1HG      ARG  24   2.928  16.359   3.317
  147    HG3  ARG  24           2HG      ARG  24   2.489  15.251   4.619
  148    HD2  ARG  24           1HD      ARG  24   5.330  16.034   4.008
  149    HD3  ARG  24           2HD      ARG  24   4.313  16.914   5.148
  150    HE   ARG  24           HE       ARG  24   4.386  14.130   5.736
  151   HH11  ARG  24          1HH1      ARG  24   6.189  17.093   6.036
  152   HH12  ARG  24          2HH1      ARG  24   7.058  16.575   7.442
  153   HH21  ARG  24          1HH2      ARG  24   5.524  13.436   7.587
  154   HH22  ARG  24          2HH2      ARG  24   6.679  14.494   8.324
  155    H    LYS  25           H        LYS  25   4.211  13.915  -0.115
  156    HA   LYS  25           HA       LYS  25   3.270  11.609  -1.325
  157    HB2  LYS  25           1HB      LYS  25   4.995  13.173  -2.248
  158    HB3  LYS  25           2HB      LYS  25   6.170  12.446  -1.160
  159    HG2  LYS  25           1HG      LYS  25   6.585  11.282  -3.081
  160    HG3  LYS  25           2HG      LYS  25   5.404  10.222  -2.308
  161    HD2  LYS  25           1HD      LYS  25   3.738  10.776  -3.787
  162    HD3  LYS  25           2HD      LYS  25   4.422  12.367  -4.127
  163    HE2  LYS  25           1HE      LYS  25   5.954   9.948  -4.943
  164    HE3  LYS  25           2HE      LYS  25   4.541  10.409  -5.892
  165    HZ1  LYS  25           3HZ      LYS  25   5.500  12.437  -6.465
  166    HZ2  LYS  25           1HZ      LYS  25   6.787  11.345  -6.585
  167    HZ3  LYS  25           2HZ      LYS  25   6.662  12.361  -5.238
  168    H    SER  26           H        SER  26   5.777  11.916   1.177
  169    HA   SER  26           HA       SER  26   6.576   9.298   1.404
  170    HB2  SER  26           1HB      SER  26   7.101   9.812   3.775
  171    HB3  SER  26           2HB      SER  26   7.628  11.089   2.679
  172    HG   SER  26           HG       SER  26   6.147  11.399   4.772
  173    H    GLY  27           H        GLY  27   3.920  10.833   3.229
  174    HA2  GLY  27           1HA      GLY  27   2.978   8.817   4.747
  175    HA3  GLY  27           2HA      GLY  27   1.899   9.912   3.894
  176    H    LEU  28           H        LEU  28   2.752   8.973   1.254
  177    HA   LEU  28           HA       LEU  28   1.035   6.633   1.139
  178    HB2  LEU  28           1HB      LEU  28   0.564   8.302  -0.475
  179    HB3  LEU  28           2HB      LEU  28   2.256   8.415  -0.952
  180    HG   LEU  28           HG       LEU  28   2.092   6.146  -1.927
  181   HD11  LEU  28          1HD1      LEU  28  -0.782   6.056  -2.097
  182   HD12  LEU  28          2HD1      LEU  28  -0.245   5.996  -0.418
  183   HD13  LEU  28          3HD1      LEU  28   0.355   4.811  -1.578
  184   HD21  LEU  28          3HD2      LEU  28   1.842   7.528  -3.678
  185   HD22  LEU  28          1HD2      LEU  28   0.638   8.519  -2.854
  186   HD23  LEU  28          2HD2      LEU  28   0.156   7.009  -3.627
  187    H    HIS  29           H        HIS  29   4.338   7.538   0.196
  188    HA   HIS  29           HA       HIS  29   5.162   5.150  -0.930
  189    HB2  HIS  29           1HB      HIS  29   6.584   7.342   0.527
  190    HB3  HIS  29           2HB      HIS  29   7.469   5.876   0.115
  191    HD2  HIS  29           HD2      HIS  29   5.771   5.734  -2.905
  192    HE1  HIS  29           HE1      HIS  29   8.171   9.165  -3.590
  193    HE2  HIS  29           HE2      HIS  29   6.689   7.420  -4.639
  194    H    ILE  30           H        ILE  30   5.761   6.149   2.445
  195    HA   ILE  30           HA       ILE  30   6.699   3.664   3.326
  196    HB   ILE  30           HB       ILE  30   5.301   5.798   4.944
  197   HG12  ILE  30          1HG1      ILE  30   7.875   6.127   5.551
  198   HG13  ILE  30          2HG1      ILE  30   8.086   5.457   3.937
  199   HG21  ILE  30          1HG2      ILE  30   5.801   4.680   6.834
  200   HG22  ILE  30          2HG2      ILE  30   5.801   3.277   5.766
  201   HG23  ILE  30          3HG2      ILE  30   7.322   4.061   6.192
  202   HD11  ILE  30          3HD1      ILE  30   6.138   7.660   4.238
  203   HD12  ILE  30          1HD1      ILE  30   7.849   8.058   4.393
  204   HD13  ILE  30          2HD1      ILE  30   7.250   7.295   2.919
  205    H    HIS  31           H        HIS  31   3.437   4.985   3.167
  206    HA   HIS  31           HA       HIS  31   2.126   3.014   4.673
  207    HB2  HIS  31           1HB      HIS  31   0.896   4.972   4.203
  208    HB3  HIS  31           2HB      HIS  31   1.212   4.857   2.474
  209    HD1  HIS  31           HD1      HIS  31  -0.629   2.832   5.124
  210    HD2  HIS  31           HD2      HIS  31  -0.877   3.838   1.100
  211    HE1  HIS  31           HE1      HIS  31  -2.776   1.808   4.306
  212    H    GLN  32           H        GLN  32   2.837   3.207   1.207
  213    HA   GLN  32           HA       GLN  32   1.456   0.988   0.312
  214    HB2  GLN  32           1HB      GLN  32   4.003   2.295  -0.585
  215    HB3  GLN  32           2HB      GLN  32   3.433   0.831  -1.375
  216    HG2  GLN  32           1HG      GLN  32   1.605   3.168  -1.052
  217    HG3  GLN  32           2HG      GLN  32   2.803   3.145  -2.344
  218   HE21  GLN  32          1HE2      GLN  32   2.242   2.218  -4.182
  219   HE22  GLN  32          2HE2      GLN  32   0.916   1.134  -4.407
  220    H    GLN  33           H        GLN  33   4.718   1.144   1.696
  221    HA   GLN  33           HA       GLN  33   5.566  -1.438   1.347
  222    HB2  GLN  33           1HB      GLN  33   5.965   0.454   3.656
  223    HB3  GLN  33           2HB      GLN  33   6.749  -1.119   3.595
  224    HG2  GLN  33           1HG      GLN  33   7.024   0.944   1.428
  225    HG3  GLN  33           2HG      GLN  33   8.123   0.823   2.801
  226   HE21  GLN  33          1HE2      GLN  33   9.760  -0.574   2.700
  227   HE22  GLN  33          2HE2      GLN  33   9.995  -1.744   1.450
  228    H    SER  34           H        SER  34   3.387  -0.203   3.844
  229    HA   SER  34           HA       SER  34   3.164  -2.382   5.497
  230    HB2  SER  34           1HB      SER  34   2.019  -0.205   5.852
  231    HB3  SER  34           2HB      SER  34   0.866  -0.632   4.588
  232    HG   SER  34           HG       SER  34   0.867  -1.336   7.178
  233    H    HIS  35           H        HIS  35   1.171  -1.751   2.609
  234    HA   HIS  35           HA       HIS  35  -0.371  -4.024   2.605
  235    HB2  HIS  35           1HB      HIS  35   0.807  -2.516   0.266
  236    HB3  HIS  35           2HB      HIS  35  -0.415  -3.774   0.096
  237    HD1  HIS  35           HD1      HIS  35  -2.275  -2.975   2.423
  238    HD2  HIS  35           HD2      HIS  35  -0.665  -0.298  -0.316
  239    HE1  HIS  35           HE1      HIS  35  -3.816  -0.987   2.441
  240    H    THR  36           H        THR  36   2.780  -3.629   0.985
  241    HA   THR  36           HA       THR  36   2.939  -6.433   0.357
  242    HB   THR  36           HB       THR  36   5.227  -5.885  -0.460
  243    HG1  THR  36           HG1      THR  36   5.473  -3.418  -0.557
  244   HG21  THR  36          3HG2      THR  36   2.833  -5.307  -1.611
  245   HG22  THR  36          1HG2      THR  36   4.392  -5.142  -2.418
  246   HG23  THR  36          2HG2      THR  36   3.630  -3.736  -1.674
  247    H    GLY  37           H        GLY  37   3.179  -7.784   2.046
  248    HA2  GLY  37           1HA      GLY  37   5.646  -7.801   3.479
  249    HA3  GLY  37           2HA      GLY  37   4.319  -7.278   4.506
  250    H    GLU  38           H        GLU  38   3.024  -8.776   5.407
  251    HA   GLU  38           HA       GLU  38   3.517 -11.577   4.651
  252    HB2  GLU  38           1HB      GLU  38   2.779 -12.156   6.923
  253    HB3  GLU  38           2HB      GLU  38   4.151 -11.057   6.945
  254    HG2  GLU  38           1HG      GLU  38   1.384  -9.963   7.123
  255    HG3  GLU  38           2HG      GLU  38   2.137 -10.682   8.546
  256    H    ARG  39           H        ARG  39   1.711 -10.033   3.149
  257    HA   ARG  39           HA       ARG  39  -0.972 -10.490   4.047
  258    HB2  ARG  39           1HB      ARG  39  -0.398  -8.613   2.561
  259    HB3  ARG  39           2HB      ARG  39   0.062  -9.752   1.303
  260    HG2  ARG  39           1HG      ARG  39  -2.307 -10.622   1.400
  261    HG3  ARG  39           2HG      ARG  39  -2.680  -9.220   2.405
  262    HD2  ARG  39           1HD      ARG  39  -3.228  -8.491   0.271
  263    HD3  ARG  39           2HD      ARG  39  -1.600  -7.854   0.501
  264    HE   ARG  39           HE       ARG  39  -1.530 -10.408  -0.733
  265   HH11  ARG  39          1HH1      ARG  39  -2.200  -7.051  -1.362
  266   HH12  ARG  39          2HH1      ARG  39  -1.792  -7.149  -3.043
  267   HH21  ARG  39          1HH2      ARG  39  -0.991 -10.551  -2.945
  268   HH22  ARG  39          2HH2      ARG  39  -1.105  -9.141  -3.942
  269    H    HIS  40           H        HIS  40  -2.236 -12.213   3.728
  270    HA   HIS  40           HA       HIS  40  -1.457 -14.196   1.708
  271    HB2  HIS  40           1HB      HIS  40  -0.591 -15.133   3.722
  272    HB3  HIS  40           2HB      HIS  40  -2.049 -14.725   4.620
  273    HD2  HIS  40           HD2      HIS  40  -0.656 -17.549   2.388
  274    HE1  HIS  40           HE1      HIS  40  -4.633 -18.578   3.446
  275    HE2  HIS  40           HE2      HIS  40  -2.463 -19.398   2.465
  276    H    SER  41           H        SER  41  -3.099 -14.424   0.354
  277    HA   SER  41           HA       SER  41  -5.836 -14.397   1.441
  278    HB2  SER  41           1HB      SER  41  -5.333 -12.291   0.216
  279    HB3  SER  41           2HB      SER  41  -4.986 -13.243  -1.227
  280    HG   SER  41           HG       SER  41  -7.044 -13.071  -1.590
  281    H    GLY  42           H        GLY  42  -7.418 -15.365  -0.217
  282    HA2  GLY  42           1HA      GLY  42  -6.146 -17.744  -1.427
  283    HA3  GLY  42           2HA      GLY  42  -7.703 -17.794  -0.613
  284    HA   PRO  43           HA       PRO  43  -8.210 -15.513  -4.885
  285    HB2  PRO  43           1HB      PRO  43  -6.319 -16.164  -6.720
  286    HB3  PRO  43           2HB      PRO  43  -6.175 -14.767  -5.647
  287    HG2  PRO  43           1HG      PRO  43  -4.939 -17.483  -5.398
  288    HG3  PRO  43           2HG      PRO  43  -4.210 -15.891  -5.115
  289    HD2  PRO  43           1HD      PRO  43  -5.085 -17.472  -3.098
  290    HD3  PRO  43           2HD      PRO  43  -5.138 -15.699  -3.015
  291    H    SER  44           H        SER  44  -7.422 -18.717  -4.131
  292    HA   SER  44           HA       SER  44  -8.680 -19.778  -6.557
  293    HB2  SER  44           1HB      SER  44  -6.445 -20.660  -5.527
  294    HB3  SER  44           2HB      SER  44  -7.506 -21.497  -4.394
  295    HG   SER  44           HG       SER  44  -7.796 -22.917  -5.899
  296    H    SER  45           H        SER  45 -10.343 -18.416  -4.758
  297    HA   SER  45           HA       SER  45 -11.832 -20.572  -3.425
  298    HB2  SER  45           1HB      SER  45 -12.901 -18.845  -2.096
  299    HB3  SER  45           2HB      SER  45 -11.153 -18.620  -2.030
  300    HG   SER  45           HG       SER  45 -12.056 -16.636  -2.425
  301    H    GLY  46           H        GLY  46 -14.204 -20.474  -3.540
  302    HA2  GLY  46           1HA      GLY  46 -16.001 -19.184  -4.880
  303    HA3  GLY  46           2HA      GLY  46 -15.041 -19.709  -6.255
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -20.966   3.475  -7.301
    2    HA2  GLY   1           1HA      GLY   1 -18.552   4.417  -5.988
    3    HA3  GLY   1           2HA      GLY   1 -20.118   5.215  -5.993
    4    H    SER   2           H        SER   2 -17.932   3.540  -4.130
    5    HA   SER   2           HA       SER   2 -19.593   2.022  -2.438
    6    HB2  SER   2           1HB      SER   2 -17.075   1.891  -2.577
    7    HB3  SER   2           2HB      SER   2 -17.013   3.382  -1.638
    8    HG   SER   2           HG       SER   2 -16.955   1.177  -0.540
    9    H    SER   3           H        SER   3 -19.768   2.566  -0.018
   10    HA   SER   3           HA       SER   3 -20.827   5.304   0.210
   11    HB2  SER   3           1HB      SER   3 -22.433   4.495   1.776
   12    HB3  SER   3           2HB      SER   3 -22.432   3.347   0.438
   13    HG   SER   3           HG       SER   3 -22.225   2.662   2.847
   14    H    GLY   4           H        GLY   4 -19.756   6.656   1.484
   15    HA2  GLY   4           1HA      GLY   4 -19.005   6.447   4.050
   16    HA3  GLY   4           2HA      GLY   4 -17.671   5.646   3.233
   17    H    SER   5           H        SER   5 -16.337   6.863   1.814
   18    HA   SER   5           HA       SER   5 -15.574   9.352   2.731
   19    HB2  SER   5           1HB      SER   5 -14.352   9.580   0.555
   20    HB3  SER   5           2HB      SER   5 -14.083   8.035   1.362
   21    HG   SER   5           HG       SER   5 -15.402   7.042  -0.091
   22    H    SER   6           H        SER   6 -16.834  11.092   2.845
   23    HA   SER   6           HA       SER   6 -18.915  11.611   0.932
   24    HB2  SER   6           1HB      SER   6 -18.836  12.197   3.479
   25    HB3  SER   6           2HB      SER   6 -17.973  13.637   2.937
   26    HG   SER   6           HG       SER   6 -20.567  12.797   2.147
   27    H    GLY   7           H        GLY   7 -16.069  13.510   1.963
   28    HA2  GLY   7           1HA      GLY   7 -14.795  14.032  -0.323
   29    HA3  GLY   7           2HA      GLY   7 -16.210  15.060  -0.496
   30    H    THR   8           H        THR   8 -14.142  14.285   2.296
   31    HA   THR   8           HA       THR   8 -13.946  17.150   2.859
   32    HB   THR   8           HB       THR   8 -13.119  14.809   4.586
   33    HG1  THR   8           HG1      THR   8 -15.075  15.631   5.769
   34   HG21  THR   8          3HG2      THR   8 -13.549  17.675   5.408
   35   HG22  THR   8          1HG2      THR   8 -11.967  17.031   4.970
   36   HG23  THR   8          2HG2      THR   8 -12.837  16.368   6.354
   37    H    GLY   9           H        GLY   9 -12.359  17.932   1.531
   38    HA2  GLY   9           1HA      GLY   9 -10.127  18.546   1.227
   39    HA3  GLY   9           2HA      GLY   9  -9.642  17.187   2.231
   40    H    GLU  10           H        GLU  10  -8.992  18.282  -0.602
   41    HA   GLU  10           HA       GLU  10  -9.270  15.701  -1.997
   42    HB2  GLU  10           1HB      GLU  10 -10.387  17.791  -2.985
   43    HB3  GLU  10           2HB      GLU  10  -8.757  18.338  -3.355
   44    HG2  GLU  10           1HG      GLU  10  -9.955  15.749  -4.313
   45    HG3  GLU  10           2HG      GLU  10  -9.885  17.239  -5.253
   46    H    LYS  11           H        LYS  11  -7.395  14.727  -1.321
   47    HA   LYS  11           HA       LYS  11  -4.864  16.132  -1.545
   48    HB2  LYS  11           1HB      LYS  11  -5.446  13.277  -0.735
   49    HB3  LYS  11           2HB      LYS  11  -3.890  14.085  -0.603
   50    HG2  LYS  11           1HG      LYS  11  -4.902  15.699   0.968
   51    HG3  LYS  11           2HG      LYS  11  -6.413  14.790   0.883
   52    HD2  LYS  11           1HD      LYS  11  -4.818  12.776   1.512
   53    HD3  LYS  11           2HD      LYS  11  -3.827  14.077   2.175
   54    HE2  LYS  11           1HE      LYS  11  -5.965  14.856   3.346
   55    HE3  LYS  11           2HE      LYS  11  -6.622  13.275   2.927
   56    HZ1  LYS  11           3HZ      LYS  11  -4.047  13.525   4.349
   57    HZ2  LYS  11           1HZ      LYS  11  -5.090  12.195   4.274
   58    HZ3  LYS  11           2HZ      LYS  11  -5.513  13.552   5.192
   59    HA   PRO  12           HA       PRO  12  -3.894  14.714  -5.598
   60    HB2  PRO  12           1HB      PRO  12  -1.187  14.872  -5.475
   61    HB3  PRO  12           2HB      PRO  12  -2.228  16.295  -5.590
   62    HG2  PRO  12           1HG      PRO  12  -0.920  15.096  -3.180
   63    HG3  PRO  12           2HG      PRO  12  -1.063  16.802  -3.642
   64    HD2  PRO  12           1HD      PRO  12  -2.678  15.652  -1.798
   65    HD3  PRO  12           2HD      PRO  12  -3.227  16.961  -2.864
   66    H    TYR  13           H        TYR  13  -2.476  13.192  -2.778
   67    HA   TYR  13           HA       TYR  13  -1.859  10.796  -4.366
   68    HB2  TYR  13           1HB      TYR  13  -0.985  11.424  -1.541
   69    HB3  TYR  13           2HB      TYR  13  -0.406  10.112  -2.561
   70    HD1  TYR  13           HD1      TYR  13   0.509  11.023  -4.949
   71    HD2  TYR  13           HD2      TYR  13   0.431  13.221  -1.307
   72    HE1  TYR  13           HE1      TYR  13   2.314  12.467  -5.789
   73    HE2  TYR  13           HE2      TYR  13   2.235  14.672  -2.137
   74    HH   TYR  13           HH       TYR  13   3.604  15.130  -3.818
   75    H    LYS  14           H        LYS  14  -3.302   9.220  -4.323
   76    HA   LYS  14           HA       LYS  14  -4.729   8.650  -1.826
   77    HB2  LYS  14           1HB      LYS  14  -6.262   9.986  -3.175
   78    HB3  LYS  14           2HB      LYS  14  -6.029   8.908  -4.544
   79    HG2  LYS  14           1HG      LYS  14  -8.069   8.253  -3.644
   80    HG3  LYS  14           2HG      LYS  14  -6.925   7.067  -3.011
   81    HD2  LYS  14           1HD      LYS  14  -6.819   8.253  -0.899
   82    HD3  LYS  14           2HD      LYS  14  -7.874   9.521  -1.530
   83    HE2  LYS  14           1HE      LYS  14  -8.804   6.685  -1.558
   84    HE3  LYS  14           2HE      LYS  14  -8.844   7.592  -0.047
   85    HZ1  LYS  14           3HZ      LYS  14 -10.495   8.922  -0.783
   86    HZ2  LYS  14           1HZ      LYS  14 -10.839   7.597  -1.777
   87    HZ3  LYS  14           2HZ      LYS  14  -9.965   8.909  -2.390
   88    H    CYS  15           H        CYS  15  -3.904   6.706  -1.348
   89    HA   CYS  15           HA       CYS  15  -2.905   4.811  -3.110
   90    HB2  CYS  15           1HB      CYS  15  -2.355   4.571  -0.821
   91    HB3  CYS  15           2HB      CYS  15  -4.046   4.563  -0.333
   92    H    SER  16           H        SER  16  -3.738   2.791  -3.840
   93    HA   SER  16           HA       SER  16  -6.643   2.864  -4.299
   94    HB2  SER  16           1HB      SER  16  -5.296   2.987  -6.345
   95    HB3  SER  16           2HB      SER  16  -4.473   1.491  -5.905
   96    HG   SER  16           HG       SER  16  -6.139   1.038  -7.346
   97    H    ASP  17           H        ASP  17  -3.970   0.868  -3.230
   98    HA   ASP  17           HA       ASP  17  -5.091  -1.636  -3.126
   99    HB2  ASP  17           1HB      ASP  17  -3.275  -0.314  -1.100
  100    HB3  ASP  17           2HB      ASP  17  -3.621  -2.041  -1.144
  101    H    CYS  18           H        CYS  18  -5.377   0.934  -0.687
  102    HA   CYS  18           HA       CYS  18  -7.676  -0.524   0.444
  103    HB2  CYS  18           1HB      CYS  18  -7.148   0.533   2.606
  104    HB3  CYS  18           2HB      CYS  18  -5.817  -0.462   2.026
  105    H    GLY  19           H        GLY  19  -6.302   2.666  -0.253
  106    HA2  GLY  19           1HA      GLY  19  -7.697   4.314  -1.353
  107    HA3  GLY  19           2HA      GLY  19  -9.060   3.697  -0.430
  108    H    LYS  20           H        LYS  20  -5.781   4.828   0.402
  109    HA   LYS  20           HA       LYS  20  -7.018   6.567   2.433
  110    HB2  LYS  20           1HB      LYS  20  -4.540   4.922   2.420
  111    HB3  LYS  20           2HB      LYS  20  -4.488   6.452   3.284
  112    HG2  LYS  20           1HG      LYS  20  -6.180   5.790   4.775
  113    HG3  LYS  20           2HG      LYS  20  -6.641   4.417   3.765
  114    HD2  LYS  20           1HD      LYS  20  -4.375   3.446   4.196
  115    HD3  LYS  20           2HD      LYS  20  -4.100   4.749   5.355
  116    HE2  LYS  20           1HE      LYS  20  -4.842   2.744   6.502
  117    HE3  LYS  20           2HE      LYS  20  -6.062   4.009   6.632
  118    HZ1  LYS  20           3HZ      LYS  20  -7.527   2.843   5.409
  119    HZ2  LYS  20           1HZ      LYS  20  -6.607   1.513   5.906
  120    HZ3  LYS  20           2HZ      LYS  20  -6.349   2.197   4.381
  121    H    ALA  21           H        ALA  21  -6.621   8.707   2.395
  122    HA   ALA  21           HA       ALA  21  -5.036   9.732   0.161
  123    HB1  ALA  21           3HB      ALA  21  -7.405  10.483   0.557
  124    HB2  ALA  21           1HB      ALA  21  -6.821  11.312   2.000
  125    HB3  ALA  21           2HB      ALA  21  -6.216  11.776   0.409
  126    H    PHE  22           H        PHE  22  -3.334  11.148   0.400
  127    HA   PHE  22           HA       PHE  22  -2.454  11.768   3.130
  128    HB2  PHE  22           1HB      PHE  22  -0.496  10.854   1.033
  129    HB3  PHE  22           2HB      PHE  22  -0.253  10.995   2.771
  130    HD1  PHE  22           HD1      PHE  22  -1.923   9.025   0.137
  131    HD2  PHE  22           HD2      PHE  22  -0.766   9.212   4.228
  132    HE1  PHE  22           HE1      PHE  22  -2.491   6.646   0.402
  133    HE2  PHE  22           HE2      PHE  22  -1.330   6.833   4.500
  134    HZ   PHE  22           HZ       PHE  22  -2.193   5.546   2.586
  135    H    THR  23           H        THR  23  -1.362  13.692   3.370
  136    HA   THR  23           HA       THR  23  -1.670  15.576   1.190
  137    HB   THR  23           HB       THR  23  -0.653  16.019   4.004
  138    HG1  THR  23           HG1      THR  23  -3.003  15.391   3.439
  139   HG21  THR  23          3HG2      THR  23  -1.129  18.403   3.523
  140   HG22  THR  23          1HG2      THR  23  -1.456  17.973   1.845
  141   HG23  THR  23          2HG2      THR  23   0.160  17.747   2.514
  142    H    ARG  24           H        ARG  24   0.909  13.955   2.925
  143    HA   ARG  24           HA       ARG  24   2.938  15.462   1.457
  144    HB2  ARG  24           1HB      ARG  24   2.935  13.722   3.874
  145    HB3  ARG  24           2HB      ARG  24   4.412  13.795   2.923
  146    HG2  ARG  24           1HG      ARG  24   4.795  15.997   3.428
  147    HG3  ARG  24           2HG      ARG  24   3.087  16.340   3.714
  148    HD2  ARG  24           1HD      ARG  24   4.017  16.382   5.848
  149    HD3  ARG  24           2HD      ARG  24   3.323  14.765   5.731
  150    HE   ARG  24           HE       ARG  24   6.074  14.858   4.940
  151   HH11  ARG  24          1HH1      ARG  24   3.911  14.643   7.659
  152   HH12  ARG  24          2HH1      ARG  24   5.064  13.850   8.680
  153   HH21  ARG  24          1HH2      ARG  24   7.601  13.815   6.275
  154   HH22  ARG  24          2HH2      ARG  24   7.163  13.380   7.892
  155    H    LYS  25           H        LYS  25   4.934  13.837   0.978
  156    HA   LYS  25           HA       LYS  25   3.848  11.968  -0.989
  157    HB2  LYS  25           1HB      LYS  25   6.582  13.182  -0.605
  158    HB3  LYS  25           2HB      LYS  25   6.265  11.910  -1.776
  159    HG2  LYS  25           1HG      LYS  25   6.117  13.833  -3.045
  160    HG3  LYS  25           2HG      LYS  25   4.429  13.489  -2.660
  161    HD2  LYS  25           1HD      LYS  25   4.699  15.799  -2.284
  162    HD3  LYS  25           2HD      LYS  25   4.720  15.060  -0.681
  163    HE2  LYS  25           1HE      LYS  25   6.521  16.476  -0.529
  164    HE3  LYS  25           2HE      LYS  25   7.307  14.997  -1.079
  165    HZ1  LYS  25           3HZ      LYS  25   7.286  15.837  -3.326
  166    HZ2  LYS  25           1HZ      LYS  25   8.042  16.961  -2.312
  167    HZ3  LYS  25           2HZ      LYS  25   6.459  17.231  -2.843
  168    H    SER  26           H        SER  26   6.378  12.035   1.520
  169    HA   SER  26           HA       SER  26   7.064   9.339   1.432
  170    HB2  SER  26           1HB      SER  26   7.287  11.500   3.472
  171    HB3  SER  26           2HB      SER  26   7.543   9.841   4.010
  172    HG   SER  26           HG       SER  26   9.484  10.150   3.265
  173    H    GLY  27           H        GLY  27   4.461  10.974   3.158
  174    HA2  GLY  27           1HA      GLY  27   3.609   9.040   4.907
  175    HA3  GLY  27           2HA      GLY  27   2.519  10.128   4.059
  176    H    LEU  28           H        LEU  28   2.979   9.192   1.430
  177    HA   LEU  28           HA       LEU  28   1.319   6.829   1.498
  178    HB2  LEU  28           1HB      LEU  28   0.694   8.414  -0.118
  179    HB3  LEU  28           2HB      LEU  28   2.350   8.609  -0.687
  180    HG   LEU  28           HG       LEU  28   2.170   6.206  -1.524
  181   HD11  LEU  28          1HD1      LEU  28  -0.402   5.856  -2.110
  182   HD12  LEU  28          2HD1      LEU  28  -0.590   6.701  -0.574
  183   HD13  LEU  28          3HD1      LEU  28   0.336   5.202  -0.648
  184   HD21  LEU  28          3HD2      LEU  28   2.184   7.577  -3.311
  185   HD22  LEU  28          1HD2      LEU  28   0.972   8.659  -2.624
  186   HD23  LEU  28          2HD2      LEU  28   0.473   7.156  -3.398
  187    H    HIS  29           H        HIS  29   4.575   7.686   0.405
  188    HA   HIS  29           HA       HIS  29   5.326   5.337  -0.830
  189    HB2  HIS  29           1HB      HIS  29   6.953   7.234   0.866
  190    HB3  HIS  29           2HB      HIS  29   7.665   5.919  -0.065
  191    HD2  HIS  29           HD2      HIS  29   5.713   6.535  -2.775
  192    HE1  HIS  29           HE1      HIS  29   7.886  10.179  -2.748
  193    HE2  HIS  29           HE2      HIS  29   6.368   8.672  -4.077
  194    H    ILE  30           H        ILE  30   5.683   6.152   2.620
  195    HA   ILE  30           HA       ILE  30   6.723   3.645   3.390
  196    HB   ILE  30           HB       ILE  30   5.217   5.653   5.070
  197   HG12  ILE  30          1HG1      ILE  30   8.204   5.280   4.853
  198   HG13  ILE  30          2HG1      ILE  30   7.319   6.435   3.864
  199   HG21  ILE  30          1HG2      ILE  30   7.203   4.063   6.437
  200   HG22  ILE  30          2HG2      ILE  30   5.506   4.329   6.834
  201   HG23  ILE  30          3HG2      ILE  30   5.958   3.051   5.706
  202   HD11  ILE  30          3HD1      ILE  30   8.429   7.329   5.947
  203   HD12  ILE  30          1HD1      ILE  30   6.726   7.731   5.729
  204   HD13  ILE  30          2HD1      ILE  30   7.195   6.460   6.859
  205    H    HIS  31           H        HIS  31   3.430   4.981   3.607
  206    HA   HIS  31           HA       HIS  31   2.147   2.856   4.803
  207    HB2  HIS  31           1HB      HIS  31   0.764   4.683   4.543
  208    HB3  HIS  31           2HB      HIS  31   1.285   4.976   2.886
  209    HD1  HIS  31           HD1      HIS  31  -0.762   2.387   4.782
  210    HD2  HIS  31           HD2      HIS  31  -0.534   4.189   1.046
  211    HE1  HIS  31           HE1      HIS  31  -2.727   1.501   3.487
  212    H    GLN  32           H        GLN  32   2.366   3.420   1.285
  213    HA   GLN  32           HA       GLN  32   1.175   1.261   0.245
  214    HB2  GLN  32           1HB      GLN  32   3.705   2.651  -0.533
  215    HB3  GLN  32           2HB      GLN  32   3.224   1.204  -1.410
  216    HG2  GLN  32           1HG      GLN  32   0.937   2.435  -1.621
  217    HG3  GLN  32           2HG      GLN  32   1.902   3.871  -1.284
  218   HE21  GLN  32          1HE2      GLN  32   0.605   2.161  -3.694
  219   HE22  GLN  32          2HE2      GLN  32   1.722   2.506  -4.966
  220    H    GLN  33           H        GLN  33   4.469   1.236   1.575
  221    HA   GLN  33           HA       GLN  33   5.212  -1.351   1.037
  222    HB2  GLN  33           1HB      GLN  33   5.742   0.161   3.601
  223    HB3  GLN  33           2HB      GLN  33   6.654  -1.224   3.015
  224    HG2  GLN  33           1HG      GLN  33   6.413   1.341   1.473
  225    HG3  GLN  33           2HG      GLN  33   7.693   1.039   2.646
  226   HE21  GLN  33          1HE2      GLN  33   6.498   0.395  -0.506
  227   HE22  GLN  33          2HE2      GLN  33   7.833  -0.553  -1.060
  228    H    SER  34           H        SER  34   3.283  -0.196   3.783
  229    HA   SER  34           HA       SER  34   3.009  -2.424   5.304
  230    HB2  SER  34           1HB      SER  34   1.893  -0.191   5.678
  231    HB3  SER  34           2HB      SER  34   0.648  -0.697   4.536
  232    HG   SER  34           HG       SER  34   0.138  -1.114   6.772
  233    H    HIS  35           H        HIS  35   1.623  -1.871   2.146
  234    HA   HIS  35           HA       HIS  35  -0.086  -4.190   2.242
  235    HB2  HIS  35           1HB      HIS  35   0.726  -2.465  -0.107
  236    HB3  HIS  35           2HB      HIS  35  -0.556  -3.673  -0.114
  237    HD1  HIS  35           HD1      HIS  35  -1.900  -2.900   2.581
  238    HD2  HIS  35           HD2      HIS  35  -0.785  -0.204  -0.377
  239    HE1  HIS  35           HE1      HIS  35  -3.346  -0.873   2.939
  240    H    THR  36           H        THR  36   2.076  -5.344   2.947
  241    HA   THR  36           HA       THR  36   3.165  -6.617   0.523
  242    HB   THR  36           HB       THR  36   5.292  -6.984   1.778
  243    HG1  THR  36           HG1      THR  36   3.859  -5.521   3.696
  244   HG21  THR  36          3HG2      THR  36   5.675  -4.279   1.870
  245   HG22  THR  36          1HG2      THR  36   4.276  -4.411   0.806
  246   HG23  THR  36          2HG2      THR  36   5.769  -5.263   0.410
  247    H    GLY  37           H        GLY  37   2.511  -6.989   3.994
  248    HA2  GLY  37           1HA      GLY  37   1.662  -8.809   5.133
  249    HA3  GLY  37           2HA      GLY  37   1.472  -9.630   3.591
  250    H    GLU  38           H        GLU  38   3.782 -10.106   2.570
  251    HA   GLU  38           HA       GLU  38   4.913 -12.171   3.981
  252    HB2  GLU  38           1HB      GLU  38   6.949 -11.790   2.494
  253    HB3  GLU  38           2HB      GLU  38   5.410 -12.041   1.682
  254    HG2  GLU  38           1HG      GLU  38   5.206  -9.754   1.146
  255    HG3  GLU  38           2HG      GLU  38   6.514  -9.306   2.239
  256    H    ARG  39           H        ARG  39   6.378 -12.395   5.565
  257    HA   ARG  39           HA       ARG  39   7.355  -9.979   6.858
  258    HB2  ARG  39           1HB      ARG  39   6.339 -11.644   8.287
  259    HB3  ARG  39           2HB      ARG  39   7.430 -12.884   7.682
  260    HG2  ARG  39           1HG      ARG  39   9.326 -11.571   8.645
  261    HG3  ARG  39           2HG      ARG  39   8.128 -10.513   9.394
  262    HD2  ARG  39           1HD      ARG  39   7.144 -12.577  10.456
  263    HD3  ARG  39           2HD      ARG  39   8.563 -13.452   9.882
  264    HE   ARG  39           HE       ARG  39   9.362 -11.167  11.332
  265   HH11  ARG  39          1HH1      ARG  39   7.971 -14.326  11.783
  266   HH12  ARG  39          2HH1      ARG  39   8.593 -14.514  13.389
  267   HH21  ARG  39          1HH2      ARG  39  10.187 -11.402  13.445
  268   HH22  ARG  39          2HH2      ARG  39   9.853 -12.850  14.334
  269    H    HIS  40           H        HIS  40   9.405  -9.287   6.821
  270    HA   HIS  40           HA       HIS  40  11.349 -10.876   5.306
  271    HB2  HIS  40           1HB      HIS  40  12.475  -8.872   4.797
  272    HB3  HIS  40           2HB      HIS  40  10.768  -8.453   4.693
  273    HD2  HIS  40           HD2      HIS  40  13.921  -7.486   6.692
  274    HE1  HIS  40           HE1      HIS  40  10.665  -5.270   8.268
  275    HE2  HIS  40           HE2      HIS  40  13.170  -5.520   8.195
  276    H    SER  41           H        SER  41  13.100 -11.737   6.235
  277    HA   SER  41           HA       SER  41  13.551 -11.166   9.082
  278    HB2  SER  41           1HB      SER  41  14.083 -13.576   7.363
  279    HB3  SER  41           2HB      SER  41  14.933 -13.356   8.892
  280    HG   SER  41           HG       SER  41  12.158 -13.052   8.882
  281    H    GLY  42           H        GLY  42  15.702 -10.939   9.877
  282    HA2  GLY  42           1HA      GLY  42  17.336  -9.255   8.328
  283    HA3  GLY  42           2HA      GLY  42  17.803 -10.017   9.840
  284    HA   PRO  43           HA       PRO  43  19.852 -11.944   5.943
  285    HB2  PRO  43           1HB      PRO  43  22.136 -10.483   5.811
  286    HB3  PRO  43           2HB      PRO  43  20.670 -10.056   4.921
  287    HG2  PRO  43           1HG      PRO  43  21.709  -8.950   7.502
  288    HG3  PRO  43           2HG      PRO  43  21.003  -8.091   6.120
  289    HD2  PRO  43           1HD      PRO  43  19.594  -8.647   8.365
  290    HD3  PRO  43           2HD      PRO  43  18.843  -8.584   6.757
  291    H    SER  44           H        SER  44  21.562 -13.418   6.080
  292    HA   SER  44           HA       SER  44  22.564 -13.842   8.800
  293    HB2  SER  44           1HB      SER  44  23.144 -16.128   7.953
  294    HB3  SER  44           2HB      SER  44  21.424 -15.752   7.855
  295    HG   SER  44           HG       SER  44  22.602 -16.713   5.935
  296    H    SER  45           H        SER  45  24.677 -13.767   9.318
  297    HA   SER  45           HA       SER  45  26.542 -12.994   7.182
  298    HB2  SER  45           1HB      SER  45  26.390 -12.377  10.110
  299    HB3  SER  45           2HB      SER  45  27.954 -12.324   9.298
  300    HG   SER  45           HG       SER  45  27.385 -10.537   8.351
  301    H    GLY  46           H        GLY  46  28.777 -13.773   7.357
  302    HA2  GLY  46           1HA      GLY  46  29.097 -16.452   7.230
  303    HA3  GLY  46           2HA      GLY  46  30.387 -15.385   7.767
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -27.604   7.761   2.406
    2    HA2  GLY   1           1HA      GLY   1 -25.732   5.508   2.579
    3    HA3  GLY   1           2HA      GLY   1 -26.244   6.312   1.103
    4    H    SER   2           H        SER   2 -24.293   6.852   0.259
    5    HA   SER   2           HA       SER   2 -22.658   8.716   1.851
    6    HB2  SER   2           1HB      SER   2 -21.713   6.323   1.388
    7    HB3  SER   2           2HB      SER   2 -21.424   6.946  -0.237
    8    HG   SER   2           HG       SER   2 -19.741   7.183   1.553
    9    H    SER   3           H        SER   3 -24.711   9.571   0.197
   10    HA   SER   3           HA       SER   3 -23.748  10.236  -2.413
   11    HB2  SER   3           1HB      SER   3 -26.155  10.951  -0.783
   12    HB3  SER   3           2HB      SER   3 -25.772  11.916  -2.209
   13    HG   SER   3           HG       SER   3 -26.133  10.212  -3.485
   14    H    GLY   4           H        GLY   4 -22.835  12.101  -3.151
   15    HA2  GLY   4           1HA      GLY   4 -22.723  14.609  -2.407
   16    HA3  GLY   4           2HA      GLY   4 -21.795  13.907  -1.090
   17    H    SER   5           H        SER   5 -20.853  15.839  -2.970
   18    HA   SER   5           HA       SER   5 -18.925  14.272  -4.545
   19    HB2  SER   5           1HB      SER   5 -20.082  17.022  -4.873
   20    HB3  SER   5           2HB      SER   5 -18.522  16.633  -5.599
   21    HG   SER   5           HG       SER   5 -19.904  14.658  -6.334
   22    H    SER   6           H        SER   6 -16.752  15.440  -4.802
   23    HA   SER   6           HA       SER   6 -15.796  16.077  -2.112
   24    HB2  SER   6           1HB      SER   6 -14.498  15.040  -4.606
   25    HB3  SER   6           2HB      SER   6 -13.510  15.841  -3.385
   26    HG   SER   6           HG       SER   6 -13.824  14.219  -2.040
   27    H    GLY   7           H        GLY   7 -16.543  18.241  -2.029
   28    HA2  GLY   7           1HA      GLY   7 -16.076  20.223  -3.931
   29    HA3  GLY   7           2HA      GLY   7 -16.273  20.512  -2.208
   30    H    THR   8           H        THR   8 -14.471  20.796  -0.910
   31    HA   THR   8           HA       THR   8 -12.319  22.150  -1.831
   32    HB   THR   8           HB       THR   8 -12.188  20.200   0.477
   33    HG1  THR   8           HG1      THR   8 -13.204  21.702   1.648
   34   HG21  THR   8          3HG2      THR   8 -10.365  21.414   1.284
   35   HG22  THR   8          1HG2      THR   8 -10.704  22.798   0.246
   36   HG23  THR   8          2HG2      THR   8 -10.049  21.315  -0.448
   37    H    GLY   9           H        GLY   9 -10.348  21.745  -2.718
   38    HA2  GLY   9           1HA      GLY   9  -9.909  19.557  -4.323
   39    HA3  GLY   9           2HA      GLY   9  -8.625  20.582  -3.700
   40    H    GLU  10           H        GLU  10  -9.552  17.482  -3.946
   41    HA   GLU  10           HA       GLU  10  -9.092  16.450  -1.350
   42    HB2  GLU  10           1HB      GLU  10  -8.808  14.274  -2.512
   43    HB3  GLU  10           2HB      GLU  10 -10.273  15.124  -2.982
   44    HG2  GLU  10           1HG      GLU  10  -9.444  14.327  -4.988
   45    HG3  GLU  10           2HG      GLU  10  -8.892  16.001  -4.957
   46    H    LYS  11           H        LYS  11  -7.252  14.747  -1.072
   47    HA   LYS  11           HA       LYS  11  -4.814  16.166  -0.973
   48    HB2  LYS  11           1HB      LYS  11  -5.663  13.362  -0.393
   49    HB3  LYS  11           2HB      LYS  11  -3.943  13.706  -0.523
   50    HG2  LYS  11           1HG      LYS  11  -4.231  14.020   1.709
   51    HG3  LYS  11           2HG      LYS  11  -4.561  15.658   1.140
   52    HD2  LYS  11           1HD      LYS  11  -6.832  13.745   1.309
   53    HD3  LYS  11           2HD      LYS  11  -6.189  14.408   2.813
   54    HE2  LYS  11           1HE      LYS  11  -6.773  16.265   0.559
   55    HE3  LYS  11           2HE      LYS  11  -8.121  15.621   1.493
   56    HZ1  LYS  11           3HZ      LYS  11  -5.913  17.354   2.393
   57    HZ2  LYS  11           1HZ      LYS  11  -6.754  16.394   3.504
   58    HZ3  LYS  11           2HZ      LYS  11  -7.579  17.560   2.600
   59    HA   PRO  12           HA       PRO  12  -3.111  15.434  -4.966
   60    HB2  PRO  12           1HB      PRO  12  -0.478  15.726  -4.372
   61    HB3  PRO  12           2HB      PRO  12  -1.599  17.089  -4.459
   62    HG2  PRO  12           1HG      PRO  12  -0.593  15.615  -2.056
   63    HG3  PRO  12           2HG      PRO  12  -0.799  17.360  -2.293
   64    HD2  PRO  12           1HD      PRO  12  -2.585  15.855  -0.923
   65    HD3  PRO  12           2HD      PRO  12  -3.064  17.277  -1.872
   66    H    TYR  13           H        TYR  13  -2.275  13.503  -2.213
   67    HA   TYR  13           HA       TYR  13  -1.276  11.395  -4.014
   68    HB2  TYR  13           1HB      TYR  13  -0.547  11.641  -1.098
   69    HB3  TYR  13           2HB      TYR  13   0.211  10.630  -2.324
   70    HD1  TYR  13           HD1      TYR  13   1.556  11.731  -4.146
   71    HD2  TYR  13           HD2      TYR  13   0.184  13.855  -0.724
   72    HE1  TYR  13           HE1      TYR  13   3.212  13.496  -4.585
   73    HE2  TYR  13           HE2      TYR  13   1.836  15.626  -1.154
   74    HH   TYR  13           HH       TYR  13   3.924  15.954  -2.306
   75    H    LYS  14           H        LYS  14  -2.009   9.308  -3.702
   76    HA   LYS  14           HA       LYS  14  -3.818   8.705  -1.523
   77    HB2  LYS  14           1HB      LYS  14  -5.336   9.756  -3.110
   78    HB3  LYS  14           2HB      LYS  14  -4.762   8.703  -4.396
   79    HG2  LYS  14           1HG      LYS  14  -5.836   6.839  -3.521
   80    HG3  LYS  14           2HG      LYS  14  -5.992   7.562  -1.918
   81    HD2  LYS  14           1HD      LYS  14  -7.766   8.916  -2.565
   82    HD3  LYS  14           2HD      LYS  14  -7.359   8.798  -4.278
   83    HE2  LYS  14           1HE      LYS  14  -8.327   6.470  -2.630
   84    HE3  LYS  14           2HE      LYS  14  -9.400   7.516  -3.558
   85    HZ1  LYS  14           3HZ      LYS  14  -8.511   6.785  -5.557
   86    HZ2  LYS  14           1HZ      LYS  14  -8.579   5.368  -4.636
   87    HZ3  LYS  14           2HZ      LYS  14  -7.106   6.173  -4.841
   88    H    CYS  15           H        CYS  15  -4.064   6.509  -1.157
   89    HA   CYS  15           HA       CYS  15  -2.069   4.832  -2.407
   90    HB2  CYS  15           1HB      CYS  15  -2.279   4.608  -0.039
   91    HB3  CYS  15           2HB      CYS  15  -4.022   4.383  -0.149
   92    H    SER  16           H        SER  16  -2.486   3.852  -4.267
   93    HA   SER  16           HA       SER  16  -5.191   3.312  -5.116
   94    HB2  SER  16           1HB      SER  16  -3.333   4.091  -6.651
   95    HB3  SER  16           2HB      SER  16  -2.638   2.477  -6.502
   96    HG   SER  16           HG       SER  16  -4.082   2.843  -8.344
   97    H    ASP  17           H        ASP  17  -4.615   1.909  -2.797
   98    HA   ASP  17           HA       ASP  17  -4.661  -0.862  -3.788
   99    HB2  ASP  17           1HB      ASP  17  -2.513  -0.098  -2.531
  100    HB3  ASP  17           2HB      ASP  17  -3.523  -0.190  -1.091
  101    H    CYS  18           H        CYS  18  -5.349   1.120  -0.902
  102    HA   CYS  18           HA       CYS  18  -7.784  -0.490  -0.497
  103    HB2  CYS  18           1HB      CYS  18  -7.636   0.281   1.889
  104    HB3  CYS  18           2HB      CYS  18  -6.314  -0.763   1.377
  105    H    GLY  19           H        GLY  19  -6.449   2.794  -0.266
  106    HA2  GLY  19           1HA      GLY  19  -7.901   4.481  -1.441
  107    HA3  GLY  19           2HA      GLY  19  -9.210   3.825  -0.468
  108    H    LYS  20           H        LYS  20  -5.864   4.776   0.297
  109    HA   LYS  20           HA       LYS  20  -6.959   6.510   2.413
  110    HB2  LYS  20           1HB      LYS  20  -5.649   4.566   3.230
  111    HB3  LYS  20           2HB      LYS  20  -4.256   5.157   2.334
  112    HG2  LYS  20           1HG      LYS  20  -3.987   7.003   3.737
  113    HG3  LYS  20           2HG      LYS  20  -5.616   6.851   4.398
  114    HD2  LYS  20           1HD      LYS  20  -3.718   4.589   4.774
  115    HD3  LYS  20           2HD      LYS  20  -3.493   6.043   5.750
  116    HE2  LYS  20           1HE      LYS  20  -6.008   5.818   6.264
  117    HE3  LYS  20           2HE      LYS  20  -5.834   4.170   5.662
  118    HZ1  LYS  20           3HZ      LYS  20  -5.183   5.172   8.197
  119    HZ2  LYS  20           1HZ      LYS  20  -3.752   4.655   7.457
  120    HZ3  LYS  20           2HZ      LYS  20  -5.049   3.584   7.630
  121    H    ALA  21           H        ALA  21  -6.634   8.619   2.189
  122    HA   ALA  21           HA       ALA  21  -4.749   9.552   0.158
  123    HB1  ALA  21           3HB      ALA  21  -6.196  11.200  -0.241
  124    HB2  ALA  21           1HB      ALA  21  -7.322  10.322   0.794
  125    HB3  ALA  21           2HB      ALA  21  -6.323  11.610   1.470
  126    H    PHE  22           H        PHE  22  -3.068  10.939   0.575
  127    HA   PHE  22           HA       PHE  22  -2.530  11.562   3.401
  128    HB2  PHE  22           1HB      PHE  22  -0.420  10.766   1.389
  129    HB3  PHE  22           2HB      PHE  22  -0.198  11.035   3.115
  130    HD1  PHE  22           HD1      PHE  22  -1.907   8.836   0.665
  131    HD2  PHE  22           HD2      PHE  22  -0.415   9.278   4.627
  132    HE1  PHE  22           HE1      PHE  22  -2.319   6.447   1.084
  133    HE2  PHE  22           HE2      PHE  22  -0.824   6.890   5.051
  134    HZ   PHE  22           HZ       PHE  22  -1.776   5.470   3.279
  135    H    THR  23           H        THR  23  -0.759  13.268   3.592
  136    HA   THR  23           HA       THR  23  -1.419  15.432   1.736
  137    HB   THR  23           HB       THR  23  -0.011  15.548   4.411
  138    HG1  THR  23           HG1      THR  23  -1.983  16.253   5.185
  139   HG21  THR  23          3HG2      THR  23  -0.129  17.437   2.299
  140   HG22  THR  23          1HG2      THR  23   0.530  17.652   3.920
  141   HG23  THR  23          2HG2      THR  23  -1.163  18.026   3.600
  142    H    ARG  24           H        ARG  24   1.387  13.806   3.169
  143    HA   ARG  24           HA       ARG  24   3.139  15.194   1.269
  144    HB2  ARG  24           1HB      ARG  24   3.849  13.490   3.664
  145    HB3  ARG  24           2HB      ARG  24   4.988  14.370   2.656
  146    HG2  ARG  24           1HG      ARG  24   4.133  16.470   3.391
  147    HG3  ARG  24           2HG      ARG  24   2.787  15.689   4.223
  148    HD2  ARG  24           1HD      ARG  24   4.196  16.049   5.988
  149    HD3  ARG  24           2HD      ARG  24   4.729  14.444   5.489
  150    HE   ARG  24           HE       ARG  24   6.743  15.342   4.876
  151   HH11  ARG  24          1HH1      ARG  24   4.424  17.907   5.275
  152   HH12  ARG  24          2HH1      ARG  24   5.598  19.171   5.112
  153   HH21  ARG  24          1HH2      ARG  24   8.298  16.996   4.659
  154   HH22  ARG  24          2HH2      ARG  24   7.801  18.651   4.760
  155    H    LYS  25           H        LYS  25   4.404  14.108  -0.202
  156    HA   LYS  25           HA       LYS  25   3.444  11.863  -1.449
  157    HB2  LYS  25           1HB      LYS  25   5.315  13.547  -2.142
  158    HB3  LYS  25           2HB      LYS  25   6.399  12.379  -1.397
  159    HG2  LYS  25           1HG      LYS  25   6.045  10.807  -3.013
  160    HG3  LYS  25           2HG      LYS  25   4.423  11.395  -3.386
  161    HD2  LYS  25           1HD      LYS  25   5.419  13.386  -4.447
  162    HD3  LYS  25           2HD      LYS  25   7.027  12.733  -4.123
  163    HE2  LYS  25           1HE      LYS  25   6.569  12.158  -6.354
  164    HE3  LYS  25           2HE      LYS  25   6.285  10.683  -5.432
  165    HZ1  LYS  25           3HZ      LYS  25   4.481  10.873  -6.889
  166    HZ2  LYS  25           1HZ      LYS  25   4.282  12.527  -6.589
  167    HZ3  LYS  25           2HZ      LYS  25   3.875  11.396  -5.399
  168    H    SER  26           H        SER  26   5.991  12.010   1.021
  169    HA   SER  26           HA       SER  26   6.655   9.301   1.062
  170    HB2  SER  26           1HB      SER  26   6.703  11.326   3.311
  171    HB3  SER  26           2HB      SER  26   7.475   9.742   3.377
  172    HG   SER  26           HG       SER  26   8.556  11.909   2.498
  173    H    GLY  27           H        GLY  27   4.336  11.062   3.121
  174    HA2  GLY  27           1HA      GLY  27   3.392   9.214   4.806
  175    HA3  GLY  27           2HA      GLY  27   2.303  10.295   3.950
  176    H    LEU  28           H        LEU  28   2.717   9.229   1.341
  177    HA   LEU  28           HA       LEU  28   0.975   6.933   1.534
  178    HB2  LEU  28           1HB      LEU  28   0.350   8.405  -0.157
  179    HB3  LEU  28           2HB      LEU  28   2.010   8.625  -0.707
  180    HG   LEU  28           HG       LEU  28   1.927   6.243  -1.537
  181   HD11  LEU  28          1HD1      LEU  28  -1.050   6.553  -1.271
  182   HD12  LEU  28          2HD1      LEU  28  -0.073   5.676  -0.093
  183   HD13  LEU  28          3HD1      LEU  28  -0.135   5.130  -1.769
  184   HD21  LEU  28          3HD2      LEU  28   1.750   7.486  -3.385
  185   HD22  LEU  28          1HD2      LEU  28   0.631   8.617  -2.625
  186   HD23  LEU  28          2HD2      LEU  28   0.027   7.111  -3.316
  187    H    HIS  29           H        HIS  29   4.137   7.604   0.033
  188    HA   HIS  29           HA       HIS  29   4.791   5.154  -0.957
  189    HB2  HIS  29           1HB      HIS  29   6.158   7.414  -0.749
  190    HB3  HIS  29           2HB      HIS  29   6.899   6.575   0.611
  191    HD2  HIS  29           HD2      HIS  29   6.077   4.982  -2.913
  192    HE1  HIS  29           HE1      HIS  29  10.240   4.686  -2.152
  193    HE2  HIS  29           HE2      HIS  29   8.379   4.172  -3.770
  194    H    ILE  30           H        ILE  30   5.415   6.223   2.386
  195    HA   ILE  30           HA       ILE  30   6.469   3.806   3.319
  196    HB   ILE  30           HB       ILE  30   4.943   5.907   4.861
  197   HG12  ILE  30          1HG1      ILE  30   7.929   5.511   4.615
  198   HG13  ILE  30          2HG1      ILE  30   7.016   6.646   3.629
  199   HG21  ILE  30          1HG2      ILE  30   5.738   4.966   6.851
  200   HG22  ILE  30          2HG2      ILE  30   5.189   3.586   5.901
  201   HG23  ILE  30          3HG2      ILE  30   6.910   3.953   6.008
  202   HD11  ILE  30          3HD1      ILE  30   8.082   6.988   6.245
  203   HD12  ILE  30          1HD1      ILE  30   7.277   8.165   5.208
  204   HD13  ILE  30          2HD1      ILE  30   6.328   7.162   6.306
  205    H    HIS  31           H        HIS  31   3.134   5.023   3.356
  206    HA   HIS  31           HA       HIS  31   1.925   2.973   4.776
  207    HB2  HIS  31           1HB      HIS  31   0.612   4.879   4.282
  208    HB3  HIS  31           2HB      HIS  31   0.912   4.737   2.552
  209    HD1  HIS  31           HD1      HIS  31  -0.838   2.749   5.286
  210    HD2  HIS  31           HD2      HIS  31  -1.111   3.538   1.216
  211    HE1  HIS  31           HE1      HIS  31  -2.937   1.597   4.517
  212    H    GLN  32           H        GLN  32   2.443   3.209   1.263
  213    HA   GLN  32           HA       GLN  32   1.232   0.894   0.428
  214    HB2  GLN  32           1HB      GLN  32   3.653   2.368  -0.543
  215    HB3  GLN  32           2HB      GLN  32   3.192   0.850  -1.300
  216    HG2  GLN  32           1HG      GLN  32   1.290   3.152  -0.997
  217    HG3  GLN  32           2HG      GLN  32   2.352   2.964  -2.392
  218   HE21  GLN  32          1HE2      GLN  32  -0.157   3.059  -3.036
  219   HE22  GLN  32          2HE2      GLN  32  -0.819   1.504  -3.392
  220    H    GLN  33           H        GLN  33   4.529   1.254   1.692
  221    HA   GLN  33           HA       GLN  33   5.623  -1.182   1.343
  222    HB2  GLN  33           1HB      GLN  33   5.637   0.376   3.934
  223    HB3  GLN  33           2HB      GLN  33   6.764  -0.909   3.520
  224    HG2  GLN  33           1HG      GLN  33   7.385   0.504   1.500
  225    HG3  GLN  33           2HG      GLN  33   6.507   1.813   2.290
  226   HE21  GLN  33          1HE2      GLN  33   9.423   0.115   2.081
  227   HE22  GLN  33          2HE2      GLN  33  10.243   0.872   3.400
  228    H    SER  34           H        SER  34   3.316  -0.383   3.929
  229    HA   SER  34           HA       SER  34   3.221  -2.802   5.242
  230    HB2  SER  34           1HB      SER  34   1.980  -0.588   5.749
  231    HB3  SER  34           2HB      SER  34   0.708  -1.232   4.712
  232    HG   SER  34           HG       SER  34   0.256  -2.737   6.165
  233    H    HIS  35           H        HIS  35   1.286  -1.798   2.432
  234    HA   HIS  35           HA       HIS  35  -0.206  -4.142   2.150
  235    HB2  HIS  35           1HB      HIS  35   0.693  -2.098   0.120
  236    HB3  HIS  35           2HB      HIS  35  -0.394  -3.425  -0.278
  237    HD1  HIS  35           HD1      HIS  35  -2.307  -3.391   2.064
  238    HD2  HIS  35           HD2      HIS  35  -0.938   0.061   0.201
  239    HE1  HIS  35           HE1      HIS  35  -4.024  -1.625   2.575
  240    H    THR  36           H        THR  36   2.876  -3.219   0.637
  241    HA   THR  36           HA       THR  36   3.175  -5.712  -0.730
  242    HB   THR  36           HB       THR  36   5.340  -3.693  -0.125
  243    HG1  THR  36           HG1      THR  36   3.699  -2.618  -1.211
  244   HG21  THR  36          3HG2      THR  36   6.675  -4.900  -1.454
  245   HG22  THR  36          1HG2      THR  36   5.415  -5.096  -2.671
  246   HG23  THR  36          2HG2      THR  36   5.491  -6.197  -1.294
  247    H    GLY  37           H        GLY  37   3.105  -7.403   0.722
  248    HA2  GLY  37           1HA      GLY  37   5.541  -8.066   2.026
  249    HA3  GLY  37           2HA      GLY  37   4.334  -7.568   3.202
  250    H    GLU  38           H        GLU  38   4.300  -9.644   4.128
  251    HA   GLU  38           HA       GLU  38   3.209 -11.781   2.432
  252    HB2  GLU  38           1HB      GLU  38   3.976 -13.342   4.102
  253    HB3  GLU  38           2HB      GLU  38   5.300 -12.264   3.684
  254    HG2  GLU  38           1HG      GLU  38   5.255 -11.193   5.717
  255    HG3  GLU  38           2HG      GLU  38   3.573 -11.622   6.026
  256    H    ARG  39           H        ARG  39   1.501  -9.695   3.242
  257    HA   ARG  39           HA       ARG  39  -0.206 -11.043   5.230
  258    HB2  ARG  39           1HB      ARG  39   0.761  -8.599   5.556
  259    HB3  ARG  39           2HB      ARG  39  -0.600  -8.169   4.528
  260    HG2  ARG  39           1HG      ARG  39  -2.162  -8.807   6.099
  261    HG3  ARG  39           2HG      ARG  39  -1.039  -9.889   6.926
  262    HD2  ARG  39           1HD      ARG  39  -0.684  -6.903   6.874
  263    HD3  ARG  39           2HD      ARG  39  -1.622  -7.727   8.119
  264    HE   ARG  39           HE       ARG  39   1.033  -8.777   7.787
  265   HH11  ARG  39          1HH1      ARG  39  -0.913  -6.358   9.362
  266   HH12  ARG  39          2HH1      ARG  39   0.191  -6.140  10.679
  267   HH21  ARG  39          1HH2      ARG  39   2.495  -8.499   9.515
  268   HH22  ARG  39          2HH2      ARG  39   2.130  -7.358  10.765
  269    H    HIS  40           H        HIS  40  -1.852 -12.073   4.326
  270    HA   HIS  40           HA       HIS  40  -3.560 -12.631   2.929
  271    HB2  HIS  40           1HB      HIS  40  -3.676  -9.658   3.064
  272    HB3  HIS  40           2HB      HIS  40  -4.658 -10.458   1.841
  273    HD2  HIS  40           HD2      HIS  40  -4.414 -10.238   5.749
  274    HE1  HIS  40           HE1      HIS  40  -8.137 -11.977   4.693
  275    HE2  HIS  40           HE2      HIS  40  -6.747 -11.009   6.557
  276    H    SER  41           H        SER  41  -1.109 -12.966   1.790
  277    HA   SER  41           HA       SER  41  -1.667 -12.332  -1.023
  278    HB2  SER  41           1HB      SER  41   0.805 -11.725   0.533
  279    HB3  SER  41           2HB      SER  41   0.989 -12.241  -1.143
  280    HG   SER  41           HG       SER  41   0.518 -10.264  -1.636
  281    H    GLY  42           H        GLY  42  -0.522 -13.762  -2.544
  282    HA2  GLY  42           1HA      GLY  42   0.811 -15.798  -2.827
  283    HA3  GLY  42           2HA      GLY  42   0.097 -16.385  -1.332
  284    HA   PRO  43           HA       PRO  43  -2.897 -18.544  -3.705
  285    HB2  PRO  43           1HB      PRO  43  -4.907 -18.713  -1.888
  286    HB3  PRO  43           2HB      PRO  43  -3.422 -19.664  -1.769
  287    HG2  PRO  43           1HG      PRO  43  -4.171 -17.135  -0.353
  288    HG3  PRO  43           2HG      PRO  43  -3.380 -18.585   0.291
  289    HD2  PRO  43           1HD      PRO  43  -2.007 -16.344  -0.363
  290    HD3  PRO  43           2HD      PRO  43  -1.312 -17.970  -0.522
  291    H    SER  44           H        SER  44  -3.573 -15.423  -2.359
  292    HA   SER  44           HA       SER  44  -5.955 -15.148  -4.061
  293    HB2  SER  44           1HB      SER  44  -6.063 -14.623  -1.558
  294    HB3  SER  44           2HB      SER  44  -5.077 -13.207  -1.923
  295    HG   SER  44           HG       SER  44  -6.899 -12.980  -3.647
  296    H    SER  45           H        SER  45  -6.192 -13.316  -5.406
  297    HA   SER  45           HA       SER  45  -4.215 -12.665  -7.100
  298    HB2  SER  45           1HB      SER  45  -5.399 -10.450  -7.464
  299    HB3  SER  45           2HB      SER  45  -6.423 -11.882  -7.564
  300    HG   SER  45           HG       SER  45  -6.631 -11.315  -5.120
  301    H    GLY  46           H        GLY  46  -2.578 -11.155  -7.312
  302    HA2  GLY  46           1HA      GLY  46  -1.154  -9.423  -6.654
  303    HA3  GLY  46           2HA      GLY  46  -2.046  -9.292  -5.146
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -30.610  12.767   2.115
    2    HA2  GLY   1           1HA      GLY   1 -28.099  11.265   2.520
    3    HA3  GLY   1           2HA      GLY   1 -28.206  12.589   1.369
    4    H    SER   2           H        SER   2 -28.957  14.712   2.334
    5    HA   SER   2           HA       SER   2 -28.281  16.463   3.648
    6    HB2  SER   2           1HB      SER   2 -29.020  16.261   6.001
    7    HB3  SER   2           2HB      SER   2 -30.243  15.671   4.875
    8    HG   SER   2           HG       SER   2 -29.517  14.362   6.865
    9    H    SER   3           H        SER   3 -26.106  14.912   2.911
   10    HA   SER   3           HA       SER   3 -24.412  15.110   5.312
   11    HB2  SER   3           1HB      SER   3 -23.175  13.169   4.666
   12    HB3  SER   3           2HB      SER   3 -24.881  12.730   4.573
   13    HG   SER   3           HG       SER   3 -23.064  12.598   2.659
   14    H    GLY   4           H        GLY   4 -22.030  15.268   4.694
   15    HA2  GLY   4           1HA      GLY   4 -21.083  16.072   2.231
   16    HA3  GLY   4           2HA      GLY   4 -21.716  17.529   2.982
   17    H    SER   5           H        SER   5 -18.975  16.945   2.264
   18    HA   SER   5           HA       SER   5 -17.595  16.460   4.767
   19    HB2  SER   5           1HB      SER   5 -16.847  15.758   2.360
   20    HB3  SER   5           2HB      SER   5 -16.231  17.407   2.266
   21    HG   SER   5           HG       SER   5 -15.152  15.287   3.485
   22    H    SER   6           H        SER   6 -16.982  17.978   6.155
   23    HA   SER   6           HA       SER   6 -17.183  20.789   5.324
   24    HB2  SER   6           1HB      SER   6 -17.416  21.318   7.698
   25    HB3  SER   6           2HB      SER   6 -18.597  20.093   7.234
   26    HG   SER   6           HG       SER   6 -17.758  18.885   8.718
   27    H    GLY   7           H        GLY   7 -15.181  21.158   4.429
   28    HA2  GLY   7           1HA      GLY   7 -13.057  22.131   4.818
   29    HA3  GLY   7           2HA      GLY   7 -12.974  21.275   6.351
   30    H    THR   8           H        THR   8 -11.490  21.461   3.521
   31    HA   THR   8           HA       THR   8 -10.663  18.647   3.614
   32    HB   THR   8           HB       THR   8 -10.506  18.630   1.116
   33    HG1  THR   8           HG1      THR   8 -10.729  20.566   0.268
   34   HG21  THR   8          3HG2      THR   8 -13.327  19.121   2.054
   35   HG22  THR   8          1HG2      THR   8 -12.428  17.654   2.436
   36   HG23  THR   8          2HG2      THR   8 -12.785  18.057   0.757
   37    H    GLY   9           H        GLY   9  -8.620  18.334   2.234
   38    HA2  GLY   9           1HA      GLY   9  -6.907  20.731   2.444
   39    HA3  GLY   9           2HA      GLY   9  -6.371  19.169   3.045
   40    H    GLU  10           H        GLU  10  -4.632  20.061   1.419
   41    HA   GLU  10           HA       GLU  10  -5.280  19.285  -1.325
   42    HB2  GLU  10           1HB      GLU  10  -2.895  20.691  -0.122
   43    HB3  GLU  10           2HB      GLU  10  -2.979  20.204  -1.809
   44    HG2  GLU  10           1HG      GLU  10  -5.022  21.994  -0.533
   45    HG3  GLU  10           2HG      GLU  10  -3.556  22.604  -1.298
   46    H    LYS  11           H        LYS  11  -5.368  17.039  -1.100
   47    HA   LYS  11           HA       LYS  11  -2.768  15.752  -0.576
   48    HB2  LYS  11           1HB      LYS  11  -4.106  13.728   0.083
   49    HB3  LYS  11           2HB      LYS  11  -4.249  15.097   1.179
   50    HG2  LYS  11           1HG      LYS  11  -6.262  14.823  -0.987
   51    HG3  LYS  11           2HG      LYS  11  -6.353  13.720   0.388
   52    HD2  LYS  11           1HD      LYS  11  -6.596  15.514   1.922
   53    HD3  LYS  11           2HD      LYS  11  -6.165  16.710   0.697
   54    HE2  LYS  11           1HE      LYS  11  -8.511  16.838   0.943
   55    HE3  LYS  11           2HE      LYS  11  -8.225  15.970  -0.564
   56    HZ1  LYS  11           3HZ      LYS  11  -9.272  14.192   0.218
   57    HZ2  LYS  11           1HZ      LYS  11  -9.790  15.138   1.522
   58    HZ3  LYS  11           2HZ      LYS  11  -8.391  14.197   1.662
   59    HA   PRO  12           HA       PRO  12  -3.852  14.954  -4.986
   60    HB2  PRO  12           1HB      PRO  12  -1.294  15.148  -5.873
   61    HB3  PRO  12           2HB      PRO  12  -2.348  16.552  -5.668
   62    HG2  PRO  12           1HG      PRO  12  -0.213  15.505  -3.849
   63    HG3  PRO  12           2HG      PRO  12  -0.568  17.180  -4.310
   64    HD2  PRO  12           1HD      PRO  12  -1.361  16.120  -1.948
   65    HD3  PRO  12           2HD      PRO  12  -2.301  17.360  -2.801
   66    H    TYR  13           H        TYR  13  -2.407  13.320  -2.522
   67    HA   TYR  13           HA       TYR  13  -1.693  11.038  -4.245
   68    HB2  TYR  13           1HB      TYR  13  -0.755  11.367  -1.405
   69    HB3  TYR  13           2HB      TYR  13  -0.080  10.350  -2.673
   70    HD1  TYR  13           HD1      TYR  13   0.519  11.922  -4.882
   71    HD2  TYR  13           HD2      TYR  13   0.620  13.104  -0.795
   72    HE1  TYR  13           HE1      TYR  13   2.140  13.686  -5.438
   73    HE2  TYR  13           HE2      TYR  13   2.241  14.872  -1.341
   74    HH   TYR  13           HH       TYR  13   3.638  15.156  -4.555
   75    H    LYS  14           H        LYS  14  -2.887   9.257  -4.082
   76    HA   LYS  14           HA       LYS  14  -4.373   8.724  -1.619
   77    HB2  LYS  14           1HB      LYS  14  -6.017   9.857  -2.929
   78    HB3  LYS  14           2HB      LYS  14  -5.585   8.950  -4.373
   79    HG2  LYS  14           1HG      LYS  14  -7.627   8.060  -3.589
   80    HG3  LYS  14           2HG      LYS  14  -6.376   6.882  -3.188
   81    HD2  LYS  14           1HD      LYS  14  -7.477   6.950  -1.190
   82    HD3  LYS  14           2HD      LYS  14  -6.324   8.259  -0.924
   83    HE2  LYS  14           1HE      LYS  14  -8.515   8.985  -0.240
   84    HE3  LYS  14           2HE      LYS  14  -8.041   9.868  -1.691
   85    HZ1  LYS  14           3HZ      LYS  14 -10.401   8.743  -1.441
   86    HZ2  LYS  14           1HZ      LYS  14  -9.568   7.409  -2.063
   87    HZ3  LYS  14           2HZ      LYS  14  -9.619   8.856  -2.937
   88    H    CYS  15           H        CYS  15  -3.802   6.754  -1.001
   89    HA   CYS  15           HA       CYS  15  -2.422   4.887  -2.507
   90    HB2  CYS  15           1HB      CYS  15  -2.347   4.585  -0.182
   91    HB3  CYS  15           2HB      CYS  15  -4.099   4.653  -0.024
   92    H    SER  16           H        SER  16  -2.952   3.310  -3.905
   93    HA   SER  16           HA       SER  16  -5.798   3.025  -4.585
   94    HB2  SER  16           1HB      SER  16  -4.994   2.188  -6.774
   95    HB3  SER  16           2HB      SER  16  -4.404   3.814  -6.428
   96    HG   SER  16           HG       SER  16  -2.918   1.453  -5.915
   97    H    ASP  17           H        ASP  17  -5.032   1.645  -2.364
   98    HA   ASP  17           HA       ASP  17  -5.097  -1.134  -3.325
   99    HB2  ASP  17           1HB      ASP  17  -2.839  -0.532  -2.412
  100    HB3  ASP  17           2HB      ASP  17  -3.607  -0.226  -0.857
  101    H    CYS  18           H        CYS  18  -5.551   0.881  -0.418
  102    HA   CYS  18           HA       CYS  18  -7.878  -0.792   0.263
  103    HB2  CYS  18           1HB      CYS  18  -7.536  -0.063   2.594
  104    HB3  CYS  18           2HB      CYS  18  -6.123  -0.895   1.955
  105    H    GLY  19           H        GLY  19  -6.653   2.546   0.331
  106    HA2  GLY  19           1HA      GLY  19  -8.285   4.137  -0.770
  107    HA3  GLY  19           2HA      GLY  19  -9.457   3.473   0.359
  108    H    LYS  20           H        LYS  20  -6.136   4.767   0.542
  109    HA   LYS  20           HA       LYS  20  -7.052   6.496   2.746
  110    HB2  LYS  20           1HB      LYS  20  -5.605   4.587   3.495
  111    HB3  LYS  20           2HB      LYS  20  -4.309   5.249   2.507
  112    HG2  LYS  20           1HG      LYS  20  -4.128   7.173   3.857
  113    HG3  LYS  20           2HG      LYS  20  -5.652   6.831   4.679
  114    HD2  LYS  20           1HD      LYS  20  -4.459   4.633   5.400
  115    HD3  LYS  20           2HD      LYS  20  -2.983   5.516   5.002
  116    HE2  LYS  20           1HE      LYS  20  -3.463   5.771   7.352
  117    HE3  LYS  20           2HE      LYS  20  -3.692   7.318   6.537
  118    HZ1  LYS  20           3HZ      LYS  20  -5.737   7.377   7.343
  119    HZ2  LYS  20           1HZ      LYS  20  -5.537   5.865   8.074
  120    HZ3  LYS  20           2HZ      LYS  20  -6.131   5.968   6.494
  121    H    ALA  21           H        ALA  21  -6.316   8.590   2.777
  122    HA   ALA  21           HA       ALA  21  -4.963   9.484   0.329
  123    HB1  ALA  21           3HB      ALA  21  -6.855  10.817   2.227
  124    HB2  ALA  21           1HB      ALA  21  -5.818  11.774   1.169
  125    HB3  ALA  21           2HB      ALA  21  -6.972  10.634   0.476
  126    H    PHE  22           H        PHE  22  -3.379  11.205   0.489
  127    HA   PHE  22           HA       PHE  22  -2.142  11.639   3.081
  128    HB2  PHE  22           1HB      PHE  22  -0.430  10.590   0.835
  129    HB3  PHE  22           2HB      PHE  22  -0.010  10.768   2.535
  130    HD1  PHE  22           HD1      PHE  22  -2.096   8.832   0.173
  131    HD2  PHE  22           HD2      PHE  22  -0.379   9.028   4.062
  132    HE1  PHE  22           HE1      PHE  22  -2.739   6.491   0.571
  133    HE2  PHE  22           HE2      PHE  22  -1.019   6.687   4.466
  134    HZ   PHE  22           HZ       PHE  22  -2.200   5.415   2.719
  135    H    THR  23           H        THR  23  -1.345  13.642   3.240
  136    HA   THR  23           HA       THR  23  -1.553  15.411   0.978
  137    HB   THR  23           HB       THR  23  -0.511  16.018   3.751
  138    HG1  THR  23           HG1      THR  23  -3.125  16.489   2.728
  139   HG21  THR  23          3HG2      THR  23  -1.020  17.630   1.331
  140   HG22  THR  23          1HG2      THR  23   0.097  17.911   2.666
  141   HG23  THR  23          2HG2      THR  23  -1.611  18.310   2.847
  142    H    ARG  24           H        ARG  24   0.992  13.782   2.719
  143    HA   ARG  24           HA       ARG  24   3.032  15.250   1.208
  144    HB2  ARG  24           1HB      ARG  24   3.053  13.648   3.729
  145    HB3  ARG  24           2HB      ARG  24   4.536  13.763   2.792
  146    HG2  ARG  24           1HG      ARG  24   4.670  16.085   3.079
  147    HG3  ARG  24           2HG      ARG  24   2.993  16.197   3.619
  148    HD2  ARG  24           1HD      ARG  24   4.096  16.351   5.624
  149    HD3  ARG  24           2HD      ARG  24   3.830  14.610   5.530
  150    HE   ARG  24           HE       ARG  24   6.339  15.479   4.417
  151   HH11  ARG  24          1HH1      ARG  24   4.665  14.469   7.297
  152   HH12  ARG  24          2HH1      ARG  24   6.104  13.943   8.106
  153   HH21  ARG  24          1HH2      ARG  24   8.241  14.790   5.471
  154   HH22  ARG  24          2HH2      ARG  24   8.137  14.127   7.067
  155    H    LYS  25           H        LYS  25   4.916  13.894   0.445
  156    HA   LYS  25           HA       LYS  25   3.905  11.825  -1.272
  157    HB2  LYS  25           1HB      LYS  25   6.484  13.269  -0.935
  158    HB3  LYS  25           2HB      LYS  25   6.538  11.692  -1.711
  159    HG2  LYS  25           1HG      LYS  25   4.575  13.733  -2.651
  160    HG3  LYS  25           2HG      LYS  25   6.267  13.844  -3.141
  161    HD2  LYS  25           1HD      LYS  25   6.024  11.381  -3.823
  162    HD3  LYS  25           2HD      LYS  25   4.285  11.658  -3.700
  163    HE2  LYS  25           1HE      LYS  25   5.037  11.962  -5.990
  164    HE3  LYS  25           2HE      LYS  25   4.472  13.491  -5.318
  165    HZ1  LYS  25           3HZ      LYS  25   6.609  13.569  -6.616
  166    HZ2  LYS  25           1HZ      LYS  25   7.333  12.724  -5.340
  167    HZ3  LYS  25           2HZ      LYS  25   6.667  14.255  -5.071
  168    H    SER  26           H        SER  26   6.155  11.972   1.466
  169    HA   SER  26           HA       SER  26   6.895   9.265   1.468
  170    HB2  SER  26           1HB      SER  26   7.656   9.648   3.755
  171    HB3  SER  26           2HB      SER  26   8.082  11.028   2.744
  172    HG   SER  26           HG       SER  26   6.629  11.003   4.969
  173    H    GLY  27           H        GLY  27   4.265  10.965   3.134
  174    HA2  GLY  27           1HA      GLY  27   3.260   9.069   4.799
  175    HA3  GLY  27           2HA      GLY  27   2.233  10.147   3.866
  176    H    LEU  28           H        LEU  28   2.702   9.211   1.297
  177    HA   LEU  28           HA       LEU  28   1.081   6.833   1.322
  178    HB2  LEU  28           1HB      LEU  28   0.517   8.387  -0.339
  179    HB3  LEU  28           2HB      LEU  28   2.196   8.596  -0.833
  180    HG   LEU  28           HG       LEU  28   2.128   6.255  -1.729
  181   HD11  LEU  28          1HD1      LEU  28   0.127   5.625  -0.311
  182   HD12  LEU  28          2HD1      LEU  28   0.085   5.113  -1.998
  183   HD13  LEU  28          3HD1      LEU  28  -0.856   6.511  -1.477
  184   HD21  LEU  28          3HD2      LEU  28   1.841   7.344  -3.639
  185   HD22  LEU  28          1HD2      LEU  28   1.028   8.661  -2.793
  186   HD23  LEU  28          2HD2      LEU  28   0.094   7.291  -3.394
  187    H    HIS  29           H        HIS  29   4.378   7.675   0.344
  188    HA   HIS  29           HA       HIS  29   5.165   5.292  -0.816
  189    HB2  HIS  29           1HB      HIS  29   6.613   7.438   0.681
  190    HB3  HIS  29           2HB      HIS  29   7.476   5.958   0.273
  191    HD2  HIS  29           HD2      HIS  29   5.001   7.171  -2.422
  192    HE1  HIS  29           HE1      HIS  29   8.903   8.282  -3.662
  193    HE2  HIS  29           HE2      HIS  29   6.468   8.180  -4.298
  194    H    ILE  30           H        ILE  30   5.468   6.219   2.613
  195    HA   ILE  30           HA       ILE  30   6.479   3.733   3.480
  196    HB   ILE  30           HB       ILE  30   4.965   5.813   5.063
  197   HG12  ILE  30          1HG1      ILE  30   7.949   5.384   4.953
  198   HG13  ILE  30          2HG1      ILE  30   7.120   6.496   3.869
  199   HG21  ILE  30          1HG2      ILE  30   6.336   3.288   5.814
  200   HG22  ILE  30          2HG2      ILE  30   6.495   4.671   6.896
  201   HG23  ILE  30          3HG2      ILE  30   4.896   4.043   6.498
  202   HD11  ILE  30          3HD1      ILE  30   7.517   6.675   6.820
  203   HD12  ILE  30          1HD1      ILE  30   7.842   7.874   5.568
  204   HD13  ILE  30          2HD1      ILE  30   6.180   7.525   6.046
  205    H    HIS  31           H        HIS  31   3.190   5.082   3.532
  206    HA   HIS  31           HA       HIS  31   1.885   2.985   4.793
  207    HB2  HIS  31           1HB      HIS  31   0.657   4.976   4.431
  208    HB3  HIS  31           2HB      HIS  31   0.963   4.944   2.697
  209    HD1  HIS  31           HD1      HIS  31  -1.079   3.177   5.337
  210    HD2  HIS  31           HD2      HIS  31  -0.904   3.591   1.207
  211    HE1  HIS  31           HE1      HIS  31  -3.169   2.086   4.463
  212    H    GLN  32           H        GLN  32   2.649   3.403   1.360
  213    HA   GLN  32           HA       GLN  32   1.286   1.244   0.300
  214    HB2  GLN  32           1HB      GLN  32   3.890   2.537  -0.476
  215    HB3  GLN  32           2HB      GLN  32   3.211   1.205  -1.401
  216    HG2  GLN  32           1HG      GLN  32   1.476   3.543  -0.819
  217    HG3  GLN  32           2HG      GLN  32   2.741   3.714  -2.034
  218   HE21  GLN  32          1HE2      GLN  32  -0.360   2.533  -1.343
  219   HE22  GLN  32          2HE2      GLN  32  -0.661   1.748  -2.852
  220    H    GLN  33           H        GLN  33   4.627   1.299   1.535
  221    HA   GLN  33           HA       GLN  33   5.426  -1.257   1.095
  222    HB2  GLN  33           1HB      GLN  33   5.907   0.625   3.367
  223    HB3  GLN  33           2HB      GLN  33   6.518  -1.020   3.481
  224    HG2  GLN  33           1HG      GLN  33   7.118   0.813   1.177
  225    HG3  GLN  33           2HG      GLN  33   8.136   0.679   2.609
  226   HE21  GLN  33          1HE2      GLN  33   9.813  -0.585   2.330
  227   HE22  GLN  33          2HE2      GLN  33   9.884  -1.989   1.326
  228    H    SER  34           H        SER  34   3.270  -0.158   3.671
  229    HA   SER  34           HA       SER  34   3.057  -2.401   5.225
  230    HB2  SER  34           1HB      SER  34   0.802  -0.570   4.368
  231    HB3  SER  34           2HB      SER  34   0.748  -1.675   5.742
  232    HG   SER  34           HG       SER  34   2.861  -0.374   6.227
  233    H    HIS  35           H        HIS  35   1.478  -1.773   2.128
  234    HA   HIS  35           HA       HIS  35   0.010  -4.244   2.160
  235    HB2  HIS  35           1HB      HIS  35   0.535  -2.347  -0.137
  236    HB3  HIS  35           2HB      HIS  35  -0.665  -3.636  -0.112
  237    HD1  HIS  35           HD1      HIS  35  -1.874  -3.079   2.689
  238    HD2  HIS  35           HD2      HIS  35  -1.115  -0.172  -0.180
  239    HE1  HIS  35           HE1      HIS  35  -3.411  -1.168   3.246
  240    H    THR  36           H        THR  36   2.157  -5.385   2.656
  241    HA   THR  36           HA       THR  36   3.274  -6.341   0.107
  242    HB   THR  36           HB       THR  36   5.453  -6.705   1.354
  243    HG1  THR  36           HG1      THR  36   3.983  -5.251   3.257
  244   HG21  THR  36          3HG2      THR  36   5.684  -5.000  -0.148
  245   HG22  THR  36          1HG2      THR  36   5.890  -4.082   1.343
  246   HG23  THR  36          2HG2      THR  36   4.332  -4.084   0.516
  247    H    GLY  37           H        GLY  37   1.131  -7.541   1.431
  248    HA2  GLY  37           1HA      GLY  37   0.874  -9.961   1.482
  249    HA3  GLY  37           2HA      GLY  37   2.402 -10.044   2.346
  250    H    GLU  38           H        GLU  38  -0.978  -9.080   2.599
  251    HA   GLU  38           HA       GLU  38  -0.922  -8.450   5.359
  252    HB2  GLU  38           1HB      GLU  38  -2.707  -7.843   3.619
  253    HB3  GLU  38           2HB      GLU  38  -3.342  -9.461   3.881
  254    HG2  GLU  38           1HG      GLU  38  -3.711  -8.971   6.222
  255    HG3  GLU  38           2HG      GLU  38  -2.998  -7.371   6.019
  256    H    ARG  39           H        ARG  39   0.276 -10.193   6.279
  257    HA   ARG  39           HA       ARG  39   0.504 -12.144   7.426
  258    HB2  ARG  39           1HB      ARG  39  -2.511 -12.041   7.271
  259    HB3  ARG  39           2HB      ARG  39  -1.624 -13.229   8.218
  260    HG2  ARG  39           1HG      ARG  39  -0.581 -11.351   9.474
  261    HG3  ARG  39           2HG      ARG  39  -1.647 -10.246   8.605
  262    HD2  ARG  39           1HD      ARG  39  -2.647 -10.723  10.721
  263    HD3  ARG  39           2HD      ARG  39  -3.586 -11.547   9.478
  264    HE   ARG  39           HE       ARG  39  -2.911 -13.578  10.339
  265   HH11  ARG  39          1HH1      ARG  39  -1.125 -10.988  11.830
  266   HH12  ARG  39          2HH1      ARG  39  -0.452 -11.992  13.071
  267   HH21  ARG  39          1HH2      ARG  39  -2.030 -14.910  11.967
  268   HH22  ARG  39          2HH2      ARG  39  -0.967 -14.223  13.148
  269    H    HIS  40           H        HIS  40   0.814 -12.292   4.650
  270    HA   HIS  40           HA       HIS  40  -0.112 -15.040   4.140
  271    HB2  HIS  40           1HB      HIS  40  -1.400 -13.848   2.606
  272    HB3  HIS  40           2HB      HIS  40  -0.135 -12.657   2.318
  273    HD2  HIS  40           HD2      HIS  40  -0.278 -16.568   1.629
  274    HE1  HIS  40           HE1      HIS  40   1.302 -14.554  -1.754
  275    HE2  HIS  40           HE2      HIS  40   0.595 -16.774  -0.797
  276    H    SER  41           H        SER  41   1.383 -16.458   3.391
  277    HA   SER  41           HA       SER  41   3.855 -15.642   2.209
  278    HB2  SER  41           1HB      SER  41   5.372 -16.323   3.948
  279    HB3  SER  41           2HB      SER  41   4.247 -15.158   4.646
  280    HG   SER  41           HG       SER  41   3.121 -16.862   5.584
  281    H    GLY  42           H        GLY  42   5.337 -17.570   1.900
  282    HA2  GLY  42           1HA      GLY  42   3.671 -19.847   1.145
  283    HA3  GLY  42           2HA      GLY  42   5.318 -19.541   0.613
  284    HA   PRO  43           HA       PRO  43   6.839 -22.450   3.512
  285    HB2  PRO  43           1HB      PRO  43   9.221 -21.351   4.211
  286    HB3  PRO  43           2HB      PRO  43   8.928 -22.081   2.628
  287    HG2  PRO  43           1HG      PRO  43   8.896 -19.194   3.417
  288    HG3  PRO  43           2HG      PRO  43   9.595 -19.952   1.974
  289    HD2  PRO  43           1HD      PRO  43   7.203 -18.683   1.940
  290    HD3  PRO  43           2HD      PRO  43   7.559 -20.077   0.900
  291    H    SER  44           H        SER  44   7.742 -22.669   5.766
  292    HA   SER  44           HA       SER  44   7.539 -22.354   8.010
  293    HB2  SER  44           1HB      SER  44   7.488 -19.447   7.172
  294    HB3  SER  44           2HB      SER  44   7.598 -19.992   8.845
  295    HG   SER  44           HG       SER  44   9.478 -21.295   7.800
  296    H    SER  45           H        SER  45   5.226 -23.031   6.648
  297    HA   SER  45           HA       SER  45   3.128 -21.404   7.907
  298    HB2  SER  45           1HB      SER  45   2.777 -21.643   5.542
  299    HB3  SER  45           2HB      SER  45   3.025 -23.387   5.626
  300    HG   SER  45           HG       SER  45   0.961 -23.512   5.937
  301    H    GLY  46           H        GLY  46   2.322 -22.128   9.755
  302    HA2  GLY  46           1HA      GLY  46   1.558 -24.882  10.078
  303    HA3  GLY  46           2HA      GLY  46   2.934 -24.436  11.076
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1 -12.453   3.244   2.230
    2    HA2  GLY   1           1HA      GLY   1 -13.831   2.810   0.447
    3    HA3  GLY   1           2HA      GLY   1 -15.157   3.097   1.564
    4    H    SER   2           H        SER   2 -16.377   4.043  -0.123
    5    HA   SER   2           HA       SER   2 -15.540   6.796  -0.746
    6    HB2  SER   2           1HB      SER   2 -16.810   4.781  -2.607
    7    HB3  SER   2           2HB      SER   2 -16.733   6.507  -2.957
    8    HG   SER   2           HG       SER   2 -14.635   6.363  -3.303
    9    H    SER   3           H        SER   3 -17.120   6.125   1.435
   10    HA   SER   3           HA       SER   3 -19.853   6.815   0.607
   11    HB2  SER   3           1HB      SER   3 -20.559   6.044   2.809
   12    HB3  SER   3           2HB      SER   3 -19.576   4.802   2.033
   13    HG   SER   3           HG       SER   3 -17.865   5.361   3.334
   14    H    GLY   4           H        GLY   4 -17.970   8.854   0.464
   15    HA2  GLY   4           1HA      GLY   4 -19.016  11.076   1.377
   16    HA3  GLY   4           2HA      GLY   4 -18.352  10.463   2.884
   17    H    SER   5           H        SER   5 -16.420  11.218   3.404
   18    HA   SER   5           HA       SER   5 -14.546  12.554   3.175
   19    HB2  SER   5           1HB      SER   5 -13.721  10.251   2.968
   20    HB3  SER   5           2HB      SER   5 -13.985  10.304   1.226
   21    HG   SER   5           HG       SER   5 -11.814  10.749   1.746
   22    H    SER   6           H        SER   6 -16.578  13.645   1.623
   23    HA   SER   6           HA       SER   6 -15.122  14.527  -0.784
   24    HB2  SER   6           1HB      SER   6 -18.092  14.245  -0.305
   25    HB3  SER   6           2HB      SER   6 -17.417  15.121  -1.679
   26    HG   SER   6           HG       SER   6 -17.715  12.456  -1.323
   27    H    GLY   7           H        GLY   7 -14.049  16.152   0.459
   28    HA2  GLY   7           1HA      GLY   7 -15.727  18.530   0.825
   29    HA3  GLY   7           2HA      GLY   7 -14.726  18.004   2.169
   30    H    THR   8           H        THR   8 -14.740  20.452   0.394
   31    HA   THR   8           HA       THR   8 -12.746  20.711  -1.391
   32    HB   THR   8           HB       THR   8 -13.233  22.601   0.918
   33    HG1  THR   8           HG1      THR   8 -15.089  22.393  -0.298
   34   HG21  THR   8          3HG2      THR   8 -11.885  24.147  -0.056
   35   HG22  THR   8          1HG2      THR   8 -12.231  23.579  -1.689
   36   HG23  THR   8          2HG2      THR   8 -11.076  22.709  -0.678
   37    H    GLY   9           H        GLY   9 -10.918  19.506  -1.279
   38    HA2  GLY   9           1HA      GLY   9  -8.592  20.171  -0.291
   39    HA3  GLY   9           2HA      GLY   9  -9.332  19.575   1.187
   40    H    GLU  10           H        GLU  10  -9.466  18.365  -2.155
   41    HA   GLU  10           HA       GLU  10  -9.092  15.667  -1.268
   42    HB2  GLU  10           1HB      GLU  10  -9.420  16.996  -3.933
   43    HB3  GLU  10           2HB      GLU  10  -8.880  15.325  -3.854
   44    HG2  GLU  10           1HG      GLU  10 -11.347  16.214  -2.416
   45    HG3  GLU  10           2HG      GLU  10 -11.386  15.805  -4.130
   46    H    LYS  11           H        LYS  11  -7.109  15.373  -0.350
   47    HA   LYS  11           HA       LYS  11  -4.681  16.425  -0.993
   48    HB2  LYS  11           1HB      LYS  11  -5.379  13.651  -0.043
   49    HB3  LYS  11           2HB      LYS  11  -3.715  14.199  -0.198
   50    HG2  LYS  11           1HG      LYS  11  -3.990  15.834   1.476
   51    HG3  LYS  11           2HG      LYS  11  -5.748  15.670   1.452
   52    HD2  LYS  11           1HD      LYS  11  -5.201  13.183   2.103
   53    HD3  LYS  11           2HD      LYS  11  -3.685  13.890   2.667
   54    HE2  LYS  11           1HE      LYS  11  -4.744  15.189   4.273
   55    HE3  LYS  11           2HE      LYS  11  -6.303  15.107   3.454
   56    HZ1  LYS  11           3HZ      LYS  11  -6.366  12.715   4.039
   57    HZ2  LYS  11           1HZ      LYS  11  -6.387  13.738   5.386
   58    HZ3  LYS  11           2HZ      LYS  11  -4.964  12.929   4.961
   59    HA   PRO  12           HA       PRO  12  -3.626  15.045  -5.038
   60    HB2  PRO  12           1HB      PRO  12  -0.926  15.278  -4.884
   61    HB3  PRO  12           2HB      PRO  12  -2.005  16.673  -5.008
   62    HG2  PRO  12           1HG      PRO  12  -0.691  15.504  -2.586
   63    HG3  PRO  12           2HG      PRO  12  -0.877  17.206  -3.046
   64    HD2  PRO  12           1HD      PRO  12  -2.479  16.007  -1.223
   65    HD3  PRO  12           2HD      PRO  12  -3.052  17.303  -2.292
   66    H    TYR  13           H        TYR  13  -1.887  13.648  -2.286
   67    HA   TYR  13           HA       TYR  13  -1.230  11.270  -3.841
   68    HB2  TYR  13           1HB      TYR  13  -0.570  11.875  -0.953
   69    HB3  TYR  13           2HB      TYR  13   0.135  10.612  -1.957
   70    HD1  TYR  13           HD1      TYR  13   1.759  11.169  -3.701
   71    HD2  TYR  13           HD2      TYR  13   0.140  14.173  -1.159
   72    HE1  TYR  13           HE1      TYR  13   3.545  12.711  -4.395
   73    HE2  TYR  13           HE2      TYR  13   1.921  15.723  -1.847
   74    HH   TYR  13           HH       TYR  13   4.636  14.677  -3.745
   75    H    LYS  14           H        LYS  14  -1.780   9.146  -3.113
   76    HA   LYS  14           HA       LYS  14  -3.561   8.619  -0.996
   77    HB2  LYS  14           1HB      LYS  14  -5.081   9.888  -2.560
   78    HB3  LYS  14           2HB      LYS  14  -4.884   8.573  -3.711
   79    HG2  LYS  14           1HG      LYS  14  -5.648   7.130  -1.624
   80    HG3  LYS  14           2HG      LYS  14  -6.397   8.661  -1.164
   81    HD2  LYS  14           1HD      LYS  14  -7.344   8.693  -3.546
   82    HD3  LYS  14           2HD      LYS  14  -6.883   6.990  -3.614
   83    HE2  LYS  14           1HE      LYS  14  -9.025   6.778  -2.855
   84    HE3  LYS  14           2HE      LYS  14  -8.181   6.915  -1.314
   85    HZ1  LYS  14           3HZ      LYS  14 -10.138   8.344  -1.416
   86    HZ2  LYS  14           1HZ      LYS  14  -9.494   9.158  -2.753
   87    HZ3  LYS  14           2HZ      LYS  14  -8.724   9.257  -1.250
   88    H    CYS  15           H        CYS  15  -3.828   6.434  -0.667
   89    HA   CYS  15           HA       CYS  15  -2.034   4.708  -2.049
   90    HB2  CYS  15           1HB      CYS  15  -2.421   4.323   0.289
   91    HB3  CYS  15           2HB      CYS  15  -4.157   4.180   0.034
   92    H    SER  16           H        SER  16  -2.393   3.228  -3.612
   93    HA   SER  16           HA       SER  16  -5.097   3.154  -4.766
   94    HB2  SER  16           1HB      SER  16  -2.475   2.425  -6.091
   95    HB3  SER  16           2HB      SER  16  -4.050   2.553  -6.874
   96    HG   SER  16           HG       SER  16  -4.035   4.785  -6.323
   97    H    ASP  17           H        ASP  17  -4.502   1.561  -2.516
   98    HA   ASP  17           HA       ASP  17  -4.796  -1.107  -3.707
   99    HB2  ASP  17           1HB      ASP  17  -2.828  -0.225  -1.655
  100    HB3  ASP  17           2HB      ASP  17  -3.566  -1.810  -1.443
  101    H    CYS  18           H        CYS  18  -5.218   0.917  -0.830
  102    HA   CYS  18           HA       CYS  18  -7.572  -0.713  -0.131
  103    HB2  CYS  18           1HB      CYS  18  -7.196  -0.082   2.213
  104    HB3  CYS  18           2HB      CYS  18  -5.801  -0.926   1.548
  105    H    GLY  19           H        GLY  19  -6.187   2.560   0.021
  106    HA2  GLY  19           1HA      GLY  19  -7.651   4.306  -1.001
  107    HA3  GLY  19           2HA      GLY  19  -8.950   3.610  -0.043
  108    H    LYS  20           H        LYS  20  -5.771   5.160   0.254
  109    HA   LYS  20           HA       LYS  20  -6.775   6.579   2.615
  110    HB2  LYS  20           1HB      LYS  20  -5.437   4.673   3.419
  111    HB3  LYS  20           2HB      LYS  20  -4.074   5.227   2.454
  112    HG2  LYS  20           1HG      LYS  20  -3.703   7.077   3.817
  113    HG3  LYS  20           2HG      LYS  20  -5.315   6.992   4.530
  114    HD2  LYS  20           1HD      LYS  20  -4.688   4.882   5.636
  115    HD3  LYS  20           2HD      LYS  20  -3.066   5.023   4.956
  116    HE2  LYS  20           1HE      LYS  20  -3.085   5.807   7.250
  117    HE3  LYS  20           2HE      LYS  20  -2.769   7.149   6.151
  118    HZ1  LYS  20           3HZ      LYS  20  -4.545   7.293   8.090
  119    HZ2  LYS  20           1HZ      LYS  20  -5.550   6.666   6.882
  120    HZ3  LYS  20           2HZ      LYS  20  -4.736   8.127   6.631
  121    H    ALA  21           H        ALA  21  -6.714   8.657   2.084
  122    HA   ALA  21           HA       ALA  21  -4.922   9.678   0.086
  123    HB1  ALA  21           3HB      ALA  21  -5.982  11.864   0.628
  124    HB2  ALA  21           1HB      ALA  21  -7.132  10.597   0.200
  125    HB3  ALA  21           2HB      ALA  21  -6.908  11.052   1.890
  126    H    PHE  22           H        PHE  22  -3.166  11.005   0.345
  127    HA   PHE  22           HA       PHE  22  -2.266  11.507   3.102
  128    HB2  PHE  22           1HB      PHE  22  -0.510  10.636   0.797
  129    HB3  PHE  22           2HB      PHE  22   0.032  10.999   2.432
  130    HD1  PHE  22           HD1      PHE  22  -1.826   8.620   0.341
  131    HD2  PHE  22           HD2      PHE  22  -0.230   9.424   4.204
  132    HE1  PHE  22           HE1      PHE  22  -2.186   6.270   0.976
  133    HE2  PHE  22           HE2      PHE  22  -0.586   7.075   4.844
  134    HZ   PHE  22           HZ       PHE  22  -1.565   5.494   3.229
  135    H    THR  23           H        THR  23  -1.279  13.449   3.488
  136    HA   THR  23           HA       THR  23  -1.827  15.571   1.676
  137    HB   THR  23           HB       THR  23  -0.768  17.033   3.296
  138    HG1  THR  23           HG1      THR  23   0.709  16.315   4.642
  139   HG21  THR  23          3HG2      THR  23  -1.924  15.753   5.434
  140   HG22  THR  23          1HG2      THR  23  -2.757  15.031   4.058
  141   HG23  THR  23          2HG2      THR  23  -2.771  16.781   4.278
  142    H    ARG  24           H        ARG  24   1.075  13.770   2.537
  143    HA   ARG  24           HA       ARG  24   2.499  15.169   0.369
  144    HB2  ARG  24           1HB      ARG  24   3.804  13.981   2.818
  145    HB3  ARG  24           2HB      ARG  24   4.551  14.996   1.591
  146    HG2  ARG  24           1HG      ARG  24   2.263  16.066   3.171
  147    HG3  ARG  24           2HG      ARG  24   3.867  15.989   3.902
  148    HD2  ARG  24           1HD      ARG  24   3.141  17.386   1.329
  149    HD3  ARG  24           2HD      ARG  24   3.486  18.163   2.874
  150    HE   ARG  24           HE       ARG  24   5.736  16.776   2.435
  151   HH11  ARG  24          1HH1      ARG  24   3.882  18.903   0.396
  152   HH12  ARG  24          2HH1      ARG  24   5.256  19.443  -0.512
  153   HH21  ARG  24          1HH2      ARG  24   7.552  17.479   1.248
  154   HH22  ARG  24          2HH2      ARG  24   7.343  18.631  -0.027
  155    H    LYS  25           H        LYS  25   4.218  13.882  -0.656
  156    HA   LYS  25           HA       LYS  25   3.297  11.453  -1.630
  157    HB2  LYS  25           1HB      LYS  25   5.237  13.082  -2.409
  158    HB3  LYS  25           2HB      LYS  25   6.240  11.940  -1.524
  159    HG2  LYS  25           1HG      LYS  25   4.289  10.998  -3.589
  160    HG3  LYS  25           2HG      LYS  25   5.891  11.584  -4.042
  161    HD2  LYS  25           1HD      LYS  25   6.963   9.885  -2.770
  162    HD3  LYS  25           2HD      LYS  25   5.448   9.424  -1.990
  163    HE2  LYS  25           1HE      LYS  25   5.801   7.773  -3.612
  164    HE3  LYS  25           2HE      LYS  25   4.618   8.859  -4.339
  165    HZ1  LYS  25           3HZ      LYS  25   6.178   9.726  -5.784
  166    HZ2  LYS  25           1HZ      LYS  25   6.619   8.093  -5.729
  167    HZ3  LYS  25           2HZ      LYS  25   7.497   9.236  -4.845
  168    H    SER  26           H        SER  26   6.015  11.921   0.638
  169    HA   SER  26           HA       SER  26   6.668   9.372   1.244
  170    HB2  SER  26           1HB      SER  26   6.392  11.707   3.144
  171    HB3  SER  26           2HB      SER  26   7.157  10.181   3.589
  172    HG   SER  26           HG       SER  26   8.737  10.543   2.076
  173    H    GLY  27           H        GLY  27   4.233  11.172   3.143
  174    HA2  GLY  27           1HA      GLY  27   3.252   9.329   4.808
  175    HA3  GLY  27           2HA      GLY  27   2.181  10.414   3.935
  176    H    LEU  28           H        LEU  28   2.745   9.289   1.329
  177    HA   LEU  28           HA       LEU  28   0.961   7.006   1.501
  178    HB2  LEU  28           1HB      LEU  28   0.304   8.413  -0.203
  179    HB3  LEU  28           2HB      LEU  28   1.960   8.769  -0.687
  180    HG   LEU  28           HG       LEU  28   2.059   6.377  -1.550
  181   HD11  LEU  28          1HD1      LEU  28  -0.884   6.436  -1.807
  182   HD12  LEU  28          2HD1      LEU  28  -0.231   5.992  -0.231
  183   HD13  LEU  28          3HD1      LEU  28   0.219   5.067  -1.663
  184   HD21  LEU  28          3HD2      LEU  28   1.882   7.473  -3.470
  185   HD22  LEU  28          1HD2      LEU  28   0.979   8.766  -2.680
  186   HD23  LEU  28          2HD2      LEU  28   0.125   7.374  -3.346
  187    H    HIS  29           H        HIS  29   4.241   7.731   0.394
  188    HA   HIS  29           HA       HIS  29   4.931   5.318  -0.754
  189    HB2  HIS  29           1HB      HIS  29   6.279   7.568  -0.369
  190    HB3  HIS  29           2HB      HIS  29   6.936   6.672   0.997
  191    HD2  HIS  29           HD2      HIS  29   6.341   5.258  -2.649
  192    HE1  HIS  29           HE1      HIS  29  10.438   4.873  -1.619
  193    HE2  HIS  29           HE2      HIS  29   8.690   4.465  -3.385
  194    H    ILE  30           H        ILE  30   5.761   6.226   2.597
  195    HA   ILE  30           HA       ILE  30   6.628   3.800   3.508
  196    HB   ILE  30           HB       ILE  30   5.020   5.859   5.019
  197   HG12  ILE  30          1HG1      ILE  30   7.500   6.125   5.959
  198   HG13  ILE  30          2HG1      ILE  30   7.904   5.473   4.374
  199   HG21  ILE  30          1HG2      ILE  30   5.739   4.833   7.055
  200   HG22  ILE  30          2HG2      ILE  30   4.970   3.594   6.064
  201   HG23  ILE  30          3HG2      ILE  30   6.729   3.666   6.178
  202   HD11  ILE  30          3HD1      ILE  30   5.954   7.565   4.130
  203   HD12  ILE  30          1HD1      ILE  30   7.360   8.124   5.036
  204   HD13  ILE  30          2HD1      ILE  30   7.565   7.439   3.423
  205    H    HIS  31           H        HIS  31   3.271   4.955   3.428
  206    HA   HIS  31           HA       HIS  31   2.056   2.785   4.677
  207    HB2  HIS  31           1HB      HIS  31   0.854   4.852   4.194
  208    HB3  HIS  31           2HB      HIS  31   0.978   4.545   2.464
  209    HD1  HIS  31           HD1      HIS  31  -0.629   3.039   5.552
  210    HD2  HIS  31           HD2      HIS  31  -1.087   3.107   1.423
  211    HE1  HIS  31           HE1      HIS  31  -2.789   1.835   5.095
  212    H    GLN  32           H        GLN  32   2.672   3.314   1.213
  213    HA   GLN  32           HA       GLN  32   1.519   1.059   0.157
  214    HB2  GLN  32           1HB      GLN  32   3.840   2.748  -0.618
  215    HB3  GLN  32           2HB      GLN  32   3.654   1.205  -1.441
  216    HG2  GLN  32           1HG      GLN  32   1.443   3.228  -1.250
  217    HG3  GLN  32           2HG      GLN  32   2.618   3.205  -2.564
  218   HE21  GLN  32          1HE2      GLN  32  -0.392   2.571  -2.142
  219   HE22  GLN  32          2HE2      GLN  32  -0.602   1.114  -3.045
  220    H    GLN  33           H        GLN  33   4.279   1.265   2.195
  221    HA   GLN  33           HA       GLN  33   5.257  -1.378   1.498
  222    HB2  GLN  33           1HB      GLN  33   6.147   0.628   3.573
  223    HB3  GLN  33           2HB      GLN  33   6.915  -0.935   3.327
  224    HG2  GLN  33           1HG      GLN  33   6.618   0.930   1.023
  225    HG3  GLN  33           2HG      GLN  33   7.886   1.210   2.216
  226   HE21  GLN  33          1HE2      GLN  33   8.841  -1.162   2.835
  227   HE22  GLN  33          2HE2      GLN  33   9.456  -1.994   1.451
  228    H    SER  34           H        SER  34   2.614  -1.405   2.391
  229    HA   SER  34           HA       SER  34   2.911  -2.876   4.923
  230    HB2  SER  34           1HB      SER  34   1.843  -0.779   5.484
  231    HB3  SER  34           2HB      SER  34   0.681  -0.972   4.171
  232    HG   SER  34           HG       SER  34   0.911  -2.857   6.266
  233    H    HIS  35           H        HIS  35   1.190  -2.458   1.890
  234    HA   HIS  35           HA       HIS  35  -0.307  -4.922   2.263
  235    HB2  HIS  35           1HB      HIS  35  -0.227  -3.296  -0.267
  236    HB3  HIS  35           2HB      HIS  35  -1.515  -4.340   0.327
  237    HD1  HIS  35           HD1      HIS  35  -2.802  -3.391   2.516
  238    HD2  HIS  35           HD2      HIS  35  -0.523  -0.665   0.362
  239    HE1  HIS  35           HE1      HIS  35  -3.611  -1.121   3.235
  240    H    THR  36           H        THR  36   2.441  -5.334   2.292
  241    HA   THR  36           HA       THR  36   2.712  -7.131   0.023
  242    HB   THR  36           HB       THR  36   3.769  -5.092  -0.815
  243    HG1  THR  36           HG1      THR  36   5.254  -7.392  -0.247
  244   HG21  THR  36          3HG2      THR  36   4.407  -4.430   1.656
  245   HG22  THR  36          1HG2      THR  36   5.378  -3.880   0.291
  246   HG23  THR  36          2HG2      THR  36   5.910  -5.259   1.253
  247    H    GLY  37           H        GLY  37   4.157  -8.842   0.379
  248    HA2  GLY  37           1HA      GLY  37   5.304  -8.974   3.097
  249    HA3  GLY  37           2HA      GLY  37   4.389 -10.315   2.426
  250    H    GLU  38           H        GLU  38   6.699 -11.114   3.212
  251    HA   GLU  38           HA       GLU  38   8.695 -10.811   1.111
  252    HB2  GLU  38           1HB      GLU  38   9.225 -10.812   3.611
  253    HB3  GLU  38           2HB      GLU  38   8.918 -12.542   3.568
  254    HG2  GLU  38           1HG      GLU  38  11.180 -12.508   3.293
  255    HG3  GLU  38           2HG      GLU  38  10.651 -12.498   1.611
  256    H    ARG  39           H        ARG  39   8.323 -12.001  -0.651
  257    HA   ARG  39           HA       ARG  39   6.813 -14.323  -0.828
  258    HB2  ARG  39           1HB      ARG  39   7.885 -12.735  -2.659
  259    HB3  ARG  39           2HB      ARG  39   9.137 -13.970  -2.666
  260    HG2  ARG  39           1HG      ARG  39   7.687 -14.624  -4.360
  261    HG3  ARG  39           2HG      ARG  39   7.224 -15.639  -2.994
  262    HD2  ARG  39           1HD      ARG  39   5.333 -14.259  -2.520
  263    HD3  ARG  39           2HD      ARG  39   5.860 -13.045  -3.685
  264    HE   ARG  39           HE       ARG  39   4.408 -15.452  -4.237
  265   HH11  ARG  39          1HH1      ARG  39   6.630 -13.114  -5.546
  266   HH12  ARG  39          2HH1      ARG  39   6.183 -13.416  -7.192
  267   HH21  ARG  39          1HH2      ARG  39   3.810 -15.859  -6.400
  268   HH22  ARG  39          2HH2      ARG  39   4.578 -14.978  -7.677
  269    H    HIS  40           H        HIS  40   7.266 -16.499  -0.791
  270    HA   HIS  40           HA       HIS  40   9.668 -17.246   0.676
  271    HB2  HIS  40           1HB      HIS  40   8.566 -19.445   0.911
  272    HB3  HIS  40           2HB      HIS  40   7.544 -18.128   1.478
  273    HD2  HIS  40           HD2      HIS  40   7.604 -20.843  -1.301
  274    HE1  HIS  40           HE1      HIS  40   3.919 -18.756  -1.559
  275    HE2  HIS  40           HE2      HIS  40   5.226 -20.772  -2.316
  276    H    SER  41           H        SER  41  10.257 -16.427  -1.886
  277    HA   SER  41           HA       SER  41  10.848 -18.951  -3.288
  278    HB2  SER  41           1HB      SER  41   9.450 -16.974  -4.369
  279    HB3  SER  41           2HB      SER  41  11.056 -16.314  -4.679
  280    HG   SER  41           HG       SER  41  10.554 -17.566  -6.422
  281    H    GLY  42           H        GLY  42  12.724 -19.308  -2.002
  282    HA2  GLY  42           1HA      GLY  42  15.021 -19.325  -1.805
  283    HA3  GLY  42           2HA      GLY  42  15.090 -18.171  -3.129
  284    HA   PRO  43           HA       PRO  43  14.437 -15.439   0.784
  285    HB2  PRO  43           1HB      PRO  43  14.261 -16.696   3.183
  286    HB3  PRO  43           2HB      PRO  43  12.853 -16.361   2.169
  287    HG2  PRO  43           1HG      PRO  43  14.407 -18.901   2.472
  288    HG3  PRO  43           2HG      PRO  43  12.651 -18.666   2.393
  289    HD2  PRO  43           1HD      PRO  43  14.108 -19.491   0.265
  290    HD3  PRO  43           2HD      PRO  43  12.652 -18.490   0.095
  291    H    SER  44           H        SER  44  15.772 -14.969   2.875
  292    HA   SER  44           HA       SER  44  18.494 -15.261   2.227
  293    HB2  SER  44           1HB      SER  44  17.218 -13.515   3.754
  294    HB3  SER  44           2HB      SER  44  17.676 -14.639   5.034
  295    HG   SER  44           HG       SER  44  19.866 -14.425   3.892
  296    H    SER  45           H        SER  45  20.138 -16.477   3.154
  297    HA   SER  45           HA       SER  45  19.404 -19.101   3.987
  298    HB2  SER  45           1HB      SER  45  21.881 -19.418   4.251
  299    HB3  SER  45           2HB      SER  45  21.398 -18.821   2.663
  300    HG   SER  45           HG       SER  45  23.175 -17.756   4.189
  301    H    GLY  46           H        GLY  46  21.091 -16.426   5.633
  302    HA2  GLY  46           1HA      GLY  46  21.172 -17.762   8.153
  303    HA3  GLY  46           2HA      GLY  46  21.506 -16.060   7.869
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -14.499  -2.865   0.646
    2    HA2  GLY   1           1HA      GLY   1 -12.177  -3.044  -0.871
    3    HA3  GLY   1           2HA      GLY   1 -13.511  -3.402  -1.957
    4    H    SER   2           H        SER   2 -15.461  -1.713  -1.261
    5    HA   SER   2           HA       SER   2 -14.296   0.880  -1.939
    6    HB2  SER   2           1HB      SER   2 -16.623   1.514  -2.522
    7    HB3  SER   2           2HB      SER   2 -16.081   0.081  -3.394
    8    HG   SER   2           HG       SER   2 -18.258   0.090  -2.300
    9    H    SER   3           H        SER   3 -16.515  -0.581   0.407
   10    HA   SER   3           HA       SER   3 -17.444   1.457   1.867
   11    HB2  SER   3           1HB      SER   3 -17.493  -1.090   2.367
   12    HB3  SER   3           2HB      SER   3 -16.057  -0.770   3.339
   13    HG   SER   3           HG       SER   3 -18.242   0.907   3.725
   14    H    GLY   4           H        GLY   4 -16.767   2.848   3.503
   15    HA2  GLY   4           1HA      GLY   4 -14.502   3.041   4.927
   16    HA3  GLY   4           2HA      GLY   4 -13.964   3.590   3.346
   17    H    SER   5           H        SER   5 -14.650   4.785   6.180
   18    HA   SER   5           HA       SER   5 -16.030   7.153   5.095
   19    HB2  SER   5           1HB      SER   5 -16.194   6.107   7.932
   20    HB3  SER   5           2HB      SER   5 -17.031   7.521   7.292
   21    HG   SER   5           HG       SER   5 -18.166   6.126   5.890
   22    H    SER   6           H        SER   6 -13.273   6.872   4.948
   23    HA   SER   6           HA       SER   6 -12.329   8.739   7.024
   24    HB2  SER   6           1HB      SER   6 -10.837   6.596   5.504
   25    HB3  SER   6           2HB      SER   6 -10.026   7.847   6.446
   26    HG   SER   6           HG       SER   6 -10.297   6.064   7.754
   27    H    GLY   7           H        GLY   7 -13.122  10.507   5.738
   28    HA2  GLY   7           1HA      GLY   7 -11.149  11.349   3.761
   29    HA3  GLY   7           2HA      GLY   7 -12.810  11.226   3.201
   30    H    THR   8           H        THR   8 -10.747  12.792   5.614
   31    HA   THR   8           HA       THR   8 -12.754  14.786   6.207
   32    HB   THR   8           HB       THR   8 -10.949  15.810   7.617
   33    HG1  THR   8           HG1      THR   8  -9.471  13.447   7.100
   34   HG21  THR   8          3HG2      THR   8 -10.768  13.701   9.139
   35   HG22  THR   8          1HG2      THR   8 -11.864  12.981   7.961
   36   HG23  THR   8          2HG2      THR   8 -12.347  14.429   8.845
   37    H    GLY   9           H        GLY   9 -12.065  14.733   3.476
   38    HA2  GLY   9           1HA      GLY   9 -12.062  17.051   2.414
   39    HA3  GLY   9           2HA      GLY   9 -10.479  17.200   3.161
   40    H    GLU  10           H        GLU  10 -10.107  17.652   0.743
   41    HA   GLU  10           HA       GLU  10  -9.719  15.157  -0.750
   42    HB2  GLU  10           1HB      GLU  10  -9.998  18.028  -1.527
   43    HB3  GLU  10           2HB      GLU  10  -9.099  16.952  -2.587
   44    HG2  GLU  10           1HG      GLU  10 -11.860  16.274  -1.641
   45    HG3  GLU  10           2HG      GLU  10 -11.585  17.298  -3.050
   46    H    LYS  11           H        LYS  11  -7.733  14.481  -1.445
   47    HA   LYS  11           HA       LYS  11  -5.404  16.087  -0.633
   48    HB2  LYS  11           1HB      LYS  11  -5.695  13.092  -0.330
   49    HB3  LYS  11           2HB      LYS  11  -4.252  14.025   0.045
   50    HG2  LYS  11           1HG      LYS  11  -5.952  15.329   1.603
   51    HG3  LYS  11           2HG      LYS  11  -6.800  13.783   1.538
   52    HD2  LYS  11           1HD      LYS  11  -4.852  12.626   2.362
   53    HD3  LYS  11           2HD      LYS  11  -3.896  14.108   2.289
   54    HE2  LYS  11           1HE      LYS  11  -4.558  13.712   4.568
   55    HE3  LYS  11           2HE      LYS  11  -5.423  15.121   3.955
   56    HZ1  LYS  11           3HZ      LYS  11  -6.868  12.696   3.520
   57    HZ2  LYS  11           1HZ      LYS  11  -7.366  14.124   4.279
   58    HZ3  LYS  11           2HZ      LYS  11  -6.539  12.941   5.161
   59    HA   PRO  12           HA       PRO  12  -4.013  15.475  -4.763
   60    HB2  PRO  12           1HB      PRO  12  -1.355  15.890  -4.393
   61    HB3  PRO  12           2HB      PRO  12  -2.545  17.197  -4.366
   62    HG2  PRO  12           1HG      PRO  12  -1.265  15.753  -2.077
   63    HG3  PRO  12           2HG      PRO  12  -1.575  17.488  -2.272
   64    HD2  PRO  12           1HD      PRO  12  -3.161  15.884  -0.775
   65    HD3  PRO  12           2HD      PRO  12  -3.788  17.289  -1.660
   66    H    TYR  13           H        TYR  13  -2.762  13.597  -2.113
   67    HA   TYR  13           HA       TYR  13  -1.837  11.550  -4.022
   68    HB2  TYR  13           1HB      TYR  13  -0.904  11.836  -1.165
   69    HB3  TYR  13           2HB      TYR  13  -0.209  10.827  -2.429
   70    HD1  TYR  13           HD1      TYR  13   0.586  12.187  -4.576
   71    HD2  TYR  13           HD2      TYR  13   0.149  13.828  -0.675
   72    HE1  TYR  13           HE1      TYR  13   2.144  13.996  -5.169
   73    HE2  TYR  13           HE2      TYR  13   1.704  15.643  -1.258
   74    HH   TYR  13           HH       TYR  13   3.780  15.590  -3.641
   75    H    LYS  14           H        LYS  14  -2.369   9.396  -3.631
   76    HA   LYS  14           HA       LYS  14  -3.862   8.568  -1.345
   77    HB2  LYS  14           1HB      LYS  14  -5.615   9.822  -2.552
   78    HB3  LYS  14           2HB      LYS  14  -5.359   8.803  -3.963
   79    HG2  LYS  14           1HG      LYS  14  -5.864   6.873  -2.248
   80    HG3  LYS  14           2HG      LYS  14  -6.684   8.173  -1.379
   81    HD2  LYS  14           1HD      LYS  14  -7.208   7.858  -4.294
   82    HD3  LYS  14           2HD      LYS  14  -7.946   6.708  -3.176
   83    HE2  LYS  14           1HE      LYS  14  -8.942   8.562  -1.930
   84    HE3  LYS  14           2HE      LYS  14  -8.197   9.712  -3.039
   85    HZ1  LYS  14           3HZ      LYS  14  -9.934   7.606  -4.122
   86    HZ2  LYS  14           1HZ      LYS  14  -9.626   9.159  -4.720
   87    HZ3  LYS  14           2HZ      LYS  14 -10.644   8.953  -3.385
   88    H    CYS  15           H        CYS  15  -3.711   6.411  -1.093
   89    HA   CYS  15           HA       CYS  15  -2.073   4.909  -2.849
   90    HB2  CYS  15           1HB      CYS  15  -2.034   4.349  -0.529
   91    HB3  CYS  15           2HB      CYS  15  -3.780   4.125  -0.488
   92    H    SER  16           H        SER  16  -2.557   3.598  -4.503
   93    HA   SER  16           HA       SER  16  -5.358   3.409  -5.309
   94    HB2  SER  16           1HB      SER  16  -3.620   4.198  -6.932
   95    HB3  SER  16           2HB      SER  16  -2.889   2.594  -6.860
   96    HG   SER  16           HG       SER  16  -4.263   2.597  -8.592
   97    H    ASP  17           H        ASP  17  -4.545   1.833  -3.096
   98    HA   ASP  17           HA       ASP  17  -4.887  -0.861  -4.234
   99    HB2  ASP  17           1HB      ASP  17  -2.585  -0.317  -3.184
  100    HB3  ASP  17           2HB      ASP  17  -3.436  -0.387  -1.643
  101    H    CYS  18           H        CYS  18  -5.303   1.134  -1.320
  102    HA   CYS  18           HA       CYS  18  -7.670  -0.490  -0.650
  103    HB2  CYS  18           1HB      CYS  18  -7.324   0.366   1.689
  104    HB3  CYS  18           2HB      CYS  18  -6.047  -0.692   1.100
  105    H    GLY  19           H        GLY  19  -6.360   2.817  -0.557
  106    HA2  GLY  19           1HA      GLY  19  -7.841   4.511  -1.636
  107    HA3  GLY  19           2HA      GLY  19  -9.143   3.802  -0.692
  108    H    LYS  20           H        LYS  20  -5.824   4.822   0.105
  109    HA   LYS  20           HA       LYS  20  -6.968   6.460   2.271
  110    HB2  LYS  20           1HB      LYS  20  -4.564   4.706   2.137
  111    HB3  LYS  20           2HB      LYS  20  -4.460   6.161   3.120
  112    HG2  LYS  20           1HG      LYS  20  -6.064   5.432   4.610
  113    HG3  LYS  20           2HG      LYS  20  -6.770   4.300   3.455
  114    HD2  LYS  20           1HD      LYS  20  -4.388   3.181   3.616
  115    HD3  LYS  20           2HD      LYS  20  -4.353   4.010   5.173
  116    HE2  LYS  20           1HE      LYS  20  -6.591   2.950   5.650
  117    HE3  LYS  20           2HE      LYS  20  -6.344   1.968   4.208
  118    HZ1  LYS  20           3HZ      LYS  20  -4.823   1.938   6.737
  119    HZ2  LYS  20           1HZ      LYS  20  -4.145   1.333   5.310
  120    HZ3  LYS  20           2HZ      LYS  20  -5.562   0.648   5.929
  121    H    ALA  21           H        ALA  21  -6.781   8.574   1.994
  122    HA   ALA  21           HA       ALA  21  -4.944   9.626   0.003
  123    HB1  ALA  21           3HB      ALA  21  -7.459  10.434   1.110
  124    HB2  ALA  21           1HB      ALA  21  -6.288  11.744   1.271
  125    HB3  ALA  21           2HB      ALA  21  -6.619  11.046  -0.315
  126    H    PHE  22           H        PHE  22  -3.150  10.802   0.404
  127    HA   PHE  22           HA       PHE  22  -2.493  11.343   3.226
  128    HB2  PHE  22           1HB      PHE  22  -0.497  10.719   1.046
  129    HB3  PHE  22           2HB      PHE  22  -0.187  10.851   2.774
  130    HD1  PHE  22           HD1      PHE  22  -1.568   8.755   0.115
  131    HD2  PHE  22           HD2      PHE  22  -0.754   9.058   4.282
  132    HE1  PHE  22           HE1      PHE  22  -1.943   6.336   0.361
  133    HE2  PHE  22           HE2      PHE  22  -1.127   6.640   4.535
  134    HZ   PHE  22           HZ       PHE  22  -1.722   5.275   2.573
  135    H    THR  23           H        THR  23  -0.947  13.129   3.550
  136    HA   THR  23           HA       THR  23  -1.642  15.362   1.809
  137    HB   THR  23           HB       THR  23  -0.787  16.808   3.545
  138    HG1  THR  23           HG1      THR  23   0.195  14.381   4.643
  139   HG21  THR  23          3HG2      THR  23  -2.072  15.338   5.536
  140   HG22  THR  23          1HG2      THR  23  -2.818  14.807   4.029
  141   HG23  THR  23          2HG2      THR  23  -2.807  16.519   4.452
  142    H    ARG  24           H        ARG  24   1.234  13.716   3.066
  143    HA   ARG  24           HA       ARG  24   2.869  15.210   1.129
  144    HB2  ARG  24           1HB      ARG  24   3.878  13.606   3.478
  145    HB3  ARG  24           2HB      ARG  24   4.771  14.769   2.506
  146    HG2  ARG  24           1HG      ARG  24   3.579  16.594   3.432
  147    HG3  ARG  24           2HG      ARG  24   2.402  15.522   4.193
  148    HD2  ARG  24           1HD      ARG  24   3.920  14.810   5.813
  149    HD3  ARG  24           2HD      ARG  24   5.314  15.341   4.873
  150    HE   ARG  24           HE       ARG  24   4.001  17.649   5.399
  151   HH11  ARG  24          1HH1      ARG  24   5.122  15.020   7.388
  152   HH12  ARG  24          2HH1      ARG  24   5.389  16.016   8.780
  153   HH21  ARG  24          1HH2      ARG  24   4.348  18.970   7.225
  154   HH22  ARG  24          2HH2      ARG  24   4.948  18.262   8.687
  155    H    LYS  25           H        LYS  25   4.519  14.052  -0.036
  156    HA   LYS  25           HA       LYS  25   3.608  11.746  -1.308
  157    HB2  LYS  25           1HB      LYS  25   6.373  12.939  -1.105
  158    HB3  LYS  25           2HB      LYS  25   6.005  11.553  -2.124
  159    HG2  LYS  25           1HG      LYS  25   4.398  14.049  -2.408
  160    HG3  LYS  25           2HG      LYS  25   6.011  13.959  -3.119
  161    HD2  LYS  25           1HD      LYS  25   4.044  11.759  -3.604
  162    HD3  LYS  25           2HD      LYS  25   3.926  13.262  -4.523
  163    HE2  LYS  25           1HE      LYS  25   6.293  12.977  -5.199
  164    HE3  LYS  25           2HE      LYS  25   6.312  11.423  -4.366
  165    HZ1  LYS  25           3HZ      LYS  25   5.919  11.132  -6.721
  166    HZ2  LYS  25           1HZ      LYS  25   4.567  12.147  -6.658
  167    HZ3  LYS  25           2HZ      LYS  25   4.549  10.663  -5.847
  168    H    SER  26           H        SER  26   6.227  12.047   1.095
  169    HA   SER  26           HA       SER  26   6.985   9.440   1.350
  170    HB2  SER  26           1HB      SER  26   6.809  11.695   3.308
  171    HB3  SER  26           2HB      SER  26   7.227  10.087   3.900
  172    HG   SER  26           HG       SER  26   9.156  10.836   3.349
  173    H    GLY  27           H        GLY  27   4.306  11.000   3.106
  174    HA2  GLY  27           1HA      GLY  27   3.401   9.029   4.718
  175    HA3  GLY  27           2HA      GLY  27   2.309  10.076   3.824
  176    H    LEU  28           H        LEU  28   2.672   9.244   1.243
  177    HA   LEU  28           HA       LEU  28   1.186   6.796   1.240
  178    HB2  LEU  28           1HB      LEU  28   0.539   8.328  -0.397
  179    HB3  LEU  28           2HB      LEU  28   2.202   8.651  -0.882
  180    HG   LEU  28           HG       LEU  28   2.316   6.430  -1.927
  181   HD11  LEU  28          1HD1      LEU  28   0.686   5.309  -0.466
  182   HD12  LEU  28          2HD1      LEU  28   0.328   5.073  -2.176
  183   HD13  LEU  28          3HD1      LEU  28  -0.611   6.228  -1.231
  184   HD21  LEU  28          3HD2      LEU  28   0.831   8.674  -2.798
  185   HD22  LEU  28          1HD2      LEU  28  -0.034   7.229  -3.323
  186   HD23  LEU  28          2HD2      LEU  28   1.655   7.459  -3.776
  187    H    HIS  29           H        HIS  29   4.424   7.763   0.157
  188    HA   HIS  29           HA       HIS  29   5.276   5.422  -1.016
  189    HB2  HIS  29           1HB      HIS  29   6.771   7.475   0.608
  190    HB3  HIS  29           2HB      HIS  29   7.589   6.115  -0.156
  191    HD2  HIS  29           HD2      HIS  29   6.277   6.179  -3.101
  192    HE1  HIS  29           HE1      HIS  29   7.402  10.269  -3.148
  193    HE2  HIS  29           HE2      HIS  29   6.631   8.307  -4.527
  194    H    ILE  30           H        ILE  30   5.394   6.291   2.426
  195    HA   ILE  30           HA       ILE  30   6.605   3.873   3.275
  196    HB   ILE  30           HB       ILE  30   4.893   5.776   4.879
  197   HG12  ILE  30          1HG1      ILE  30   7.906   5.675   4.720
  198   HG13  ILE  30          2HG1      ILE  30   6.934   6.748   3.719
  199   HG21  ILE  30          1HG2      ILE  30   7.040   4.074   6.046
  200   HG22  ILE  30          2HG2      ILE  30   5.583   4.724   6.796
  201   HG23  ILE  30          3HG2      ILE  30   5.471   3.351   5.695
  202   HD11  ILE  30          3HD1      ILE  30   6.075   7.849   5.695
  203   HD12  ILE  30          1HD1      ILE  30   6.976   6.740   6.728
  204   HD13  ILE  30          2HD1      ILE  30   7.838   7.875   5.689
  205    H    HIS  31           H        HIS  31   3.258   5.002   3.799
  206    HA   HIS  31           HA       HIS  31   2.079   2.818   4.828
  207    HB2  HIS  31           1HB      HIS  31   0.625   4.597   4.492
  208    HB3  HIS  31           2HB      HIS  31   1.096   4.797   2.807
  209    HD1  HIS  31           HD1      HIS  31  -0.882   2.394   4.977
  210    HD2  HIS  31           HD2      HIS  31  -0.596   3.632   1.022
  211    HE1  HIS  31           HE1      HIS  31  -2.789   1.273   3.782
  212    H    GLN  32           H        GLN  32   2.817   3.268   1.391
  213    HA   GLN  32           HA       GLN  32   1.633   1.124   0.226
  214    HB2  GLN  32           1HB      GLN  32   4.279   2.437  -0.237
  215    HB3  GLN  32           2HB      GLN  32   3.877   0.984  -1.143
  216    HG2  GLN  32           1HG      GLN  32   2.492   3.642  -1.172
  217    HG3  GLN  32           2HG      GLN  32   3.251   2.781  -2.509
  218   HE21  GLN  32          1HE2      GLN  32   2.125   1.226  -3.590
  219   HE22  GLN  32          2HE2      GLN  32   0.451   0.899  -3.320
  220    H    GLN  33           H        GLN  33   4.691   1.066   2.025
  221    HA   GLN  33           HA       GLN  33   5.483  -1.527   1.638
  222    HB2  GLN  33           1HB      GLN  33   6.735  -1.361   3.639
  223    HB3  GLN  33           2HB      GLN  33   6.639   0.275   2.999
  224    HG2  GLN  33           1HG      GLN  33   6.170   0.690   5.179
  225    HG3  GLN  33           2HG      GLN  33   4.537   0.406   4.577
  226   HE21  GLN  33          1HE2      GLN  33   7.285  -1.504   5.769
  227   HE22  GLN  33          2HE2      GLN  33   6.347  -2.524   6.801
  228    H    SER  34           H        SER  34   2.969  -0.335   3.798
  229    HA   SER  34           HA       SER  34   2.465  -2.553   5.342
  230    HB2  SER  34           1HB      SER  34   0.284  -1.680   5.718
  231    HB3  SER  34           2HB      SER  34   1.315  -0.279   5.429
  232    HG   SER  34           HG       SER  34  -0.283  -1.542   3.452
  233    H    HIS  35           H        HIS  35   1.521  -1.952   2.007
  234    HA   HIS  35           HA       HIS  35  -0.120  -4.295   1.805
  235    HB2  HIS  35           1HB      HIS  35   1.018  -2.419  -0.271
  236    HB3  HIS  35           2HB      HIS  35  -0.026  -3.781  -0.667
  237    HD1  HIS  35           HD1      HIS  35  -2.425  -3.669   0.780
  238    HD2  HIS  35           HD2      HIS  35  -0.367  -0.131   0.065
  239    HE1  HIS  35           HE1      HIS  35  -4.117  -1.834   1.083
  240    H    THR  36           H        THR  36   1.865  -5.477   2.846
  241    HA   THR  36           HA       THR  36   3.292  -6.791   0.636
  242    HB   THR  36           HB       THR  36   5.259  -7.069   2.190
  243    HG1  THR  36           HG1      THR  36   4.266  -4.845   3.612
  244   HG21  THR  36          3HG2      THR  36   4.387  -4.588   0.863
  245   HG22  THR  36          1HG2      THR  36   5.871  -5.519   0.664
  246   HG23  THR  36          2HG2      THR  36   5.706  -4.401   2.018
  247    H    GLY  37           H        GLY  37   1.633  -8.411   0.807
  248    HA2  GLY  37           1HA      GLY  37   1.172 -10.610   1.396
  249    HA3  GLY  37           2HA      GLY  37   2.345 -10.476   2.698
  250    H    GLU  38           H        GLU  38  -0.958 -10.408   1.845
  251    HA   GLU  38           HA       GLU  38  -1.713  -9.451   4.520
  252    HB2  GLU  38           1HB      GLU  38  -3.976  -9.174   3.590
  253    HB3  GLU  38           2HB      GLU  38  -2.779  -8.251   2.692
  254    HG2  GLU  38           1HG      GLU  38  -2.738 -10.404   1.183
  255    HG3  GLU  38           2HG      GLU  38  -4.344 -10.637   1.871
  256    H    ARG  39           H        ARG  39  -2.996 -10.676   5.872
  257    HA   ARG  39           HA       ARG  39  -3.701 -12.590   6.884
  258    HB2  ARG  39           1HB      ARG  39  -4.656 -12.938   4.059
  259    HB3  ARG  39           2HB      ARG  39  -4.927 -14.200   5.253
  260    HG2  ARG  39           1HG      ARG  39  -5.780 -11.353   5.683
  261    HG3  ARG  39           2HG      ARG  39  -6.808 -12.557   4.904
  262    HD2  ARG  39           1HD      ARG  39  -5.619 -12.808   7.665
  263    HD3  ARG  39           2HD      ARG  39  -7.274 -12.313   7.316
  264    HE   ARG  39           HE       ARG  39  -6.491 -14.871   6.215
  265   HH11  ARG  39          1HH1      ARG  39  -7.943 -13.166   8.880
  266   HH12  ARG  39          2HH1      ARG  39  -8.810 -14.549   9.462
  267   HH21  ARG  39          1HH2      ARG  39  -7.627 -16.699   6.971
  268   HH22  ARG  39          2HH2      ARG  39  -8.629 -16.558   8.376
  269    H    HIS  40           H        HIS  40  -0.990 -12.579   6.254
  270    HA   HIS  40           HA       HIS  40  -0.509 -15.404   5.567
  271    HB2  HIS  40           1HB      HIS  40   1.137 -12.946   5.002
  272    HB3  HIS  40           2HB      HIS  40   1.851 -14.556   4.991
  273    HD2  HIS  40           HD2      HIS  40  -0.035 -16.283   3.195
  274    HE1  HIS  40           HE1      HIS  40  -0.115 -13.043   0.457
  275    HE2  HIS  40           HE2      HIS  40  -0.635 -15.482   0.809
  276    H    SER  41           H        SER  41  -1.200 -14.670   8.154
  277    HA   SER  41           HA       SER  41   1.159 -14.287   9.750
  278    HB2  SER  41           1HB      SER  41  -1.330 -13.655  10.282
  279    HB3  SER  41           2HB      SER  41  -1.426 -15.313  10.873
  280    HG   SER  41           HG       SER  41  -0.778 -14.180  12.608
  281    H    GLY  42           H        GLY  42   2.613 -15.837  10.042
  282    HA2  GLY  42           1HA      GLY  42   1.670 -18.541  10.683
  283    HA3  GLY  42           2HA      GLY  42   2.820 -18.349   9.368
  284    HA   PRO  43           HA       PRO  43   5.282 -19.114  13.184
  285    HB2  PRO  43           1HB      PRO  43   7.097 -20.713  11.952
  286    HB3  PRO  43           2HB      PRO  43   5.563 -21.316  12.591
  287    HG2  PRO  43           1HG      PRO  43   6.293 -20.601   9.777
  288    HG3  PRO  43           2HG      PRO  43   5.374 -21.995  10.375
  289    HD2  PRO  43           1HD      PRO  43   4.180 -19.815   9.299
  290    HD3  PRO  43           2HD      PRO  43   3.427 -20.779  10.585
  291    H    SER  44           H        SER  44   7.649 -18.755  13.522
  292    HA   SER  44           HA       SER  44   8.444 -16.274  12.501
  293    HB2  SER  44           1HB      SER  44  10.025 -18.432  13.911
  294    HB3  SER  44           2HB      SER  44  10.677 -16.836  13.539
  295    HG   SER  44           HG       SER  44   9.729 -16.173  15.279
  296    H    SER  45           H        SER  45   9.408 -15.694  10.673
  297    HA   SER  45           HA       SER  45  11.012 -17.666   9.207
  298    HB2  SER  45           1HB      SER  45   8.843 -17.731   8.131
  299    HB3  SER  45           2HB      SER  45   8.799 -15.971   8.026
  300    HG   SER  45           HG       SER  45   9.730 -17.613   6.234
  301    H    GLY  46           H        GLY  46  12.975 -16.840   8.976
  302    HA2  GLY  46           1HA      GLY  46  13.479 -14.372   7.704
  303    HA3  GLY  46           2HA      GLY  46  13.674 -14.173   9.439
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -0.802  13.463  14.361
    2    HA2  GLY   1           1HA      GLY   1  -2.477  15.582  15.280
    3    HA3  GLY   1           2HA      GLY   1  -1.969  15.849  13.620
    4    H    SER   2           H        SER   2  -4.556  15.002  15.144
    5    HA   SER   2           HA       SER   2  -5.190  12.505  13.814
    6    HB2  SER   2           1HB      SER   2  -5.980  13.149  16.155
    7    HB3  SER   2           2HB      SER   2  -7.104  14.253  15.362
    8    HG   SER   2           HG       SER   2  -6.966  11.434  15.083
    9    H    SER   3           H        SER   3  -7.266  12.340  12.582
   10    HA   SER   3           HA       SER   3  -7.360  14.497  10.615
   11    HB2  SER   3           1HB      SER   3  -8.601  12.878   9.220
   12    HB3  SER   3           2HB      SER   3  -7.057  12.222   9.763
   13    HG   SER   3           HG       SER   3  -8.080  10.744  10.860
   14    H    GLY   4           H        GLY   4  -8.844  16.029  10.822
   15    HA2  GLY   4           1HA      GLY   4 -11.605  15.438  11.181
   16    HA3  GLY   4           2HA      GLY   4 -10.912  16.087  12.660
   17    H    SER   5           H        SER   5 -10.824  16.799   9.164
   18    HA   SER   5           HA       SER   5 -11.681  19.526   9.722
   19    HB2  SER   5           1HB      SER   5  -9.051  18.846   8.395
   20    HB3  SER   5           2HB      SER   5  -9.813  20.432   8.279
   21    HG   SER   5           HG       SER   5  -9.468  19.322  10.818
   22    H    SER   6           H        SER   6 -12.734  20.503   8.025
   23    HA   SER   6           HA       SER   6 -13.275  18.760   5.720
   24    HB2  SER   6           1HB      SER   6 -15.385  19.919   5.481
   25    HB3  SER   6           2HB      SER   6 -15.211  19.417   7.163
   26    HG   SER   6           HG       SER   6 -15.850  21.738   6.520
   27    H    GLY   7           H        GLY   7 -12.349  22.021   6.659
   28    HA2  GLY   7           1HA      GLY   7 -12.289  22.990   3.940
   29    HA3  GLY   7           2HA      GLY   7 -11.744  23.853   5.371
   30    H    THR   8           H        THR   8 -10.778  20.788   3.830
   31    HA   THR   8           HA       THR   8  -8.019  21.826   3.750
   32    HB   THR   8           HB       THR   8  -7.273  19.440   3.984
   33    HG1  THR   8           HG1      THR   8  -8.780  17.966   3.929
   34   HG21  THR   8          3HG2      THR   8  -7.430  19.413   6.355
   35   HG22  THR   8          1HG2      THR   8  -8.923  20.351   6.336
   36   HG23  THR   8          2HG2      THR   8  -7.398  21.110   5.879
   37    H    GLY   9           H        GLY   9 -10.573  20.141   2.101
   38    HA2  GLY   9           1HA      GLY   9 -10.839  19.956  -0.209
   39    HA3  GLY   9           2HA      GLY   9  -9.177  20.488  -0.418
   40    H    GLU  10           H        GLU  10  -9.605  18.623  -2.069
   41    HA   GLU  10           HA       GLU  10  -9.407  15.963  -0.999
   42    HB2  GLU  10           1HB      GLU  10 -10.535  16.495  -3.160
   43    HB3  GLU  10           2HB      GLU  10  -8.965  16.898  -3.838
   44    HG2  GLU  10           1HG      GLU  10  -9.599  14.677  -4.505
   45    HG3  GLU  10           2HG      GLU  10  -8.210  14.601  -3.422
   46    H    LYS  11           H        LYS  11  -7.630  14.724  -0.730
   47    HA   LYS  11           HA       LYS  11  -5.099  15.956  -0.500
   48    HB2  LYS  11           1HB      LYS  11  -5.941  13.057  -0.484
   49    HB3  LYS  11           2HB      LYS  11  -4.286  13.576  -0.193
   50    HG2  LYS  11           1HG      LYS  11  -6.505  14.724   1.438
   51    HG3  LYS  11           2HG      LYS  11  -5.878  13.116   1.805
   52    HD2  LYS  11           1HD      LYS  11  -3.811  13.916   2.427
   53    HD3  LYS  11           2HD      LYS  11  -3.958  15.369   1.434
   54    HE2  LYS  11           1HE      LYS  11  -5.226  16.476   3.006
   55    HE3  LYS  11           2HE      LYS  11  -5.815  14.984   3.737
   56    HZ1  LYS  11           3HZ      LYS  11  -3.521  16.543   4.408
   57    HZ2  LYS  11           1HZ      LYS  11  -3.111  14.924   4.135
   58    HZ3  LYS  11           2HZ      LYS  11  -4.282  15.317   5.290
   59    HA   PRO  12           HA       PRO  12  -3.478  15.648  -4.578
   60    HB2  PRO  12           1HB      PRO  12  -0.825  15.560  -4.006
   61    HB3  PRO  12           2HB      PRO  12  -1.792  17.032  -3.857
   62    HG2  PRO  12           1HG      PRO  12  -0.938  15.103  -1.733
   63    HG3  PRO  12           2HG      PRO  12  -0.954  16.876  -1.693
   64    HD2  PRO  12           1HD      PRO  12  -2.885  15.376  -0.531
   65    HD3  PRO  12           2HD      PRO  12  -3.211  16.971  -1.239
   66    H    TYR  13           H        TYR  13  -2.624  13.279  -2.146
   67    HA   TYR  13           HA       TYR  13  -2.061  11.341  -4.295
   68    HB2  TYR  13           1HB      TYR  13  -0.936  11.257  -1.491
   69    HB3  TYR  13           2HB      TYR  13  -0.514  10.202  -2.835
   70    HD1  TYR  13           HD1      TYR  13   0.715  11.173  -4.804
   71    HD2  TYR  13           HD2      TYR  13   0.150  13.333  -1.182
   72    HE1  TYR  13           HE1      TYR  13   2.534  12.703  -5.439
   73    HE2  TYR  13           HE2      TYR  13   1.967  14.869  -1.807
   74    HH   TYR  13           HH       TYR  13   3.296  14.964  -4.942
   75    H    LYS  14           H        LYS  14  -2.533   9.066  -3.683
   76    HA   LYS  14           HA       LYS  14  -4.274   8.478  -1.517
   77    HB2  LYS  14           1HB      LYS  14  -5.955   9.649  -2.739
   78    HB3  LYS  14           2HB      LYS  14  -5.494   8.871  -4.248
   79    HG2  LYS  14           1HG      LYS  14  -7.398   7.718  -3.701
   80    HG3  LYS  14           2HG      LYS  14  -6.154   6.682  -2.998
   81    HD2  LYS  14           1HD      LYS  14  -7.713   6.845  -1.286
   82    HD3  LYS  14           2HD      LYS  14  -6.534   8.087  -0.856
   83    HE2  LYS  14           1HE      LYS  14  -8.555   9.187  -0.584
   84    HE3  LYS  14           2HE      LYS  14  -8.068   9.671  -2.207
   85    HZ1  LYS  14           3HZ      LYS  14 -10.251   7.927  -1.365
   86    HZ2  LYS  14           1HZ      LYS  14  -9.465   7.530  -2.809
   87    HZ3  LYS  14           2HZ      LYS  14 -10.189   9.048  -2.630
   88    H    CYS  15           H        CYS  15  -4.292   6.332  -1.137
   89    HA   CYS  15           HA       CYS  15  -2.737   4.641  -2.888
   90    HB2  CYS  15           1HB      CYS  15  -2.248   4.198  -0.661
   91    HB3  CYS  15           2HB      CYS  15  -3.926   4.355  -0.155
   92    H    SER  16           H        SER  16  -3.577   3.537  -4.516
   93    HA   SER  16           HA       SER  16  -6.443   3.133  -4.692
   94    HB2  SER  16           1HB      SER  16  -4.174   2.570  -6.608
   95    HB3  SER  16           2HB      SER  16  -5.857   2.174  -6.957
   96    HG   SER  16           HG       SER  16  -6.337   4.407  -6.689
   97    H    ASP  17           H        ASP  17  -5.332   1.703  -2.589
   98    HA   ASP  17           HA       ASP  17  -5.623  -1.067  -3.549
   99    HB2  ASP  17           1HB      ASP  17  -4.017  -0.384  -1.103
  100    HB3  ASP  17           2HB      ASP  17  -3.959  -1.839  -2.094
  101    H    CYS  18           H        CYS  18  -5.852   0.990  -0.648
  102    HA   CYS  18           HA       CYS  18  -8.213  -0.582   0.155
  103    HB2  CYS  18           1HB      CYS  18  -7.602  -0.074   2.511
  104    HB3  CYS  18           2HB      CYS  18  -6.398  -1.059   1.686
  105    H    GLY  19           H        GLY  19  -6.614   2.585   0.409
  106    HA2  GLY  19           1HA      GLY  19  -8.236   4.392  -0.425
  107    HA3  GLY  19           2HA      GLY  19  -9.255   3.803   0.881
  108    H    LYS  20           H        LYS  20  -5.750   4.359   0.785
  109    HA   LYS  20           HA       LYS  20  -6.055   6.095   3.136
  110    HB2  LYS  20           1HB      LYS  20  -4.513   3.957   2.997
  111    HB3  LYS  20           2HB      LYS  20  -3.401   5.074   2.215
  112    HG2  LYS  20           1HG      LYS  20  -2.730   5.275   4.384
  113    HG3  LYS  20           2HG      LYS  20  -3.932   6.566   4.310
  114    HD2  LYS  20           1HD      LYS  20  -5.559   5.239   5.406
  115    HD3  LYS  20           2HD      LYS  20  -4.601   3.770   5.204
  116    HE2  LYS  20           1HE      LYS  20  -3.072   4.399   6.848
  117    HE3  LYS  20           2HE      LYS  20  -3.538   6.097   6.765
  118    HZ1  LYS  20           3HZ      LYS  20  -5.576   5.622   7.862
  119    HZ2  LYS  20           1HZ      LYS  20  -4.346   4.896   8.769
  120    HZ3  LYS  20           2HZ      LYS  20  -5.326   3.951   7.765
  121    H    ALA  21           H        ALA  21  -5.960   8.205   2.788
  122    HA   ALA  21           HA       ALA  21  -4.596   9.207   0.396
  123    HB1  ALA  21           3HB      ALA  21  -6.224  10.952   2.185
  124    HB2  ALA  21           1HB      ALA  21  -5.983  11.040   0.440
  125    HB3  ALA  21           2HB      ALA  21  -7.035   9.800   1.124
  126    H    PHE  22           H        PHE  22  -3.283  11.154   0.566
  127    HA   PHE  22           HA       PHE  22  -2.220  11.832   3.175
  128    HB2  PHE  22           1HB      PHE  22  -0.242  10.960   1.087
  129    HB3  PHE  22           2HB      PHE  22   0.000  11.165   2.819
  130    HD1  PHE  22           HD1      PHE  22  -1.541   9.010   0.251
  131    HD2  PHE  22           HD2      PHE  22  -0.375   9.390   4.327
  132    HE1  PHE  22           HE1      PHE  22  -1.935   6.605   0.584
  133    HE2  PHE  22           HE2      PHE  22  -0.767   6.985   4.667
  134    HZ   PHE  22           HZ       PHE  22  -1.548   5.589   2.794
  135    H    THR  23           H        THR  23  -0.704  13.661   3.072
  136    HA   THR  23           HA       THR  23  -1.453  15.464   0.887
  137    HB   THR  23           HB       THR  23  -1.837  16.184   3.255
  138    HG1  THR  23           HG1      THR  23  -1.497  17.694   1.498
  139   HG21  THR  23          3HG2      THR  23  -0.214  16.202   4.795
  140   HG22  THR  23          1HG2      THR  23   0.923  16.985   3.699
  141   HG23  THR  23          2HG2      THR  23   0.729  15.233   3.664
  142    H    ARG  24           H        ARG  24   1.226  13.729   2.171
  143    HA   ARG  24           HA       ARG  24   3.005  15.090   0.257
  144    HB2  ARG  24           1HB      ARG  24   3.725  13.979   2.976
  145    HB3  ARG  24           2HB      ARG  24   4.881  14.600   1.806
  146    HG2  ARG  24           1HG      ARG  24   2.643  16.360   2.665
  147    HG3  ARG  24           2HG      ARG  24   3.992  16.092   3.771
  148    HD2  ARG  24           1HD      ARG  24   5.424  16.636   1.635
  149    HD3  ARG  24           2HD      ARG  24   3.945  17.442   1.114
  150    HE   ARG  24           HE       ARG  24   4.505  19.138   2.518
  151   HH11  ARG  24          1HH1      ARG  24   5.896  16.198   3.759
  152   HH12  ARG  24          2HH1      ARG  24   6.662  16.975   5.105
  153   HH21  ARG  24          1HH2      ARG  24   5.508  20.172   4.286
  154   HH22  ARG  24          2HH2      ARG  24   6.440  19.235   5.404
  155    H    LYS  25           H        LYS  25   4.779  13.745  -0.551
  156    HA   LYS  25           HA       LYS  25   3.886  11.306  -1.577
  157    HB2  LYS  25           1HB      LYS  25   6.583  12.606  -1.386
  158    HB3  LYS  25           2HB      LYS  25   6.435  10.972  -2.018
  159    HG2  LYS  25           1HG      LYS  25   4.708  13.124  -3.141
  160    HG3  LYS  25           2HG      LYS  25   6.405  13.031  -3.621
  161    HD2  LYS  25           1HD      LYS  25   5.863  10.516  -4.038
  162    HD3  LYS  25           2HD      LYS  25   4.190  11.075  -4.087
  163    HE2  LYS  25           1HE      LYS  25   4.499  12.257  -6.019
  164    HE3  LYS  25           2HE      LYS  25   6.204  12.560  -5.689
  165    HZ1  LYS  25           3HZ      LYS  25   5.241  10.729  -7.438
  166    HZ2  LYS  25           1HZ      LYS  25   5.602   9.781  -6.084
  167    HZ3  LYS  25           2HZ      LYS  25   6.804  10.736  -6.792
  168    H    SER  26           H        SER  26   6.341  11.879   0.947
  169    HA   SER  26           HA       SER  26   6.955   9.300   1.619
  170    HB2  SER  26           1HB      SER  26   6.642  11.693   3.442
  171    HB3  SER  26           2HB      SER  26   7.382  10.172   3.940
  172    HG   SER  26           HG       SER  26   8.324  11.395   1.611
  173    H    GLY  27           H        GLY  27   4.370  11.246   3.128
  174    HA2  GLY  27           1HA      GLY  27   3.293   9.459   4.869
  175    HA3  GLY  27           2HA      GLY  27   2.313  10.582   3.939
  176    H    LEU  28           H        LEU  28   3.177   9.261   1.399
  177    HA   LEU  28           HA       LEU  28   1.201   7.113   1.489
  178    HB2  LEU  28           1HB      LEU  28   0.711   8.516  -0.276
  179    HB3  LEU  28           2HB      LEU  28   2.408   8.787  -0.666
  180    HG   LEU  28           HG       LEU  28   2.441   6.368  -1.470
  181   HD11  LEU  28          1HD1      LEU  28  -0.531   6.714  -1.674
  182   HD12  LEU  28          2HD1      LEU  28   0.217   5.894  -0.304
  183   HD13  LEU  28          3HD1      LEU  28   0.436   5.262  -1.936
  184   HD21  LEU  28          3HD2      LEU  28   1.099   7.077  -3.592
  185   HD22  LEU  28          1HD2      LEU  28   2.590   7.917  -3.166
  186   HD23  LEU  28          2HD2      LEU  28   1.029   8.645  -2.786
  187    H    HIS  29           H        HIS  29   4.541   7.677   0.423
  188    HA   HIS  29           HA       HIS  29   5.190   5.207  -0.579
  189    HB2  HIS  29           1HB      HIS  29   6.751   7.305   0.864
  190    HB3  HIS  29           2HB      HIS  29   7.519   5.751   0.556
  191    HD2  HIS  29           HD2      HIS  29   6.310   5.364  -2.526
  192    HE1  HIS  29           HE1      HIS  29   8.404   8.981  -3.250
  193    HE2  HIS  29           HE2      HIS  29   7.247   7.003  -4.294
  194    H    ILE  30           H        ILE  30   5.405   6.230   2.824
  195    HA   ILE  30           HA       ILE  30   6.330   3.814   3.874
  196    HB   ILE  30           HB       ILE  30   4.597   5.921   5.167
  197   HG12  ILE  30          1HG1      ILE  30   7.560   5.399   5.461
  198   HG13  ILE  30          2HG1      ILE  30   6.884   6.585   4.349
  199   HG21  ILE  30          1HG2      ILE  30   4.446   3.690   6.270
  200   HG22  ILE  30          2HG2      ILE  30   6.187   3.759   6.536
  201   HG23  ILE  30          3HG2      ILE  30   5.132   4.954   7.290
  202   HD11  ILE  30          3HD1      ILE  30   7.579   7.739   6.295
  203   HD12  ILE  30          1HD1      ILE  30   5.816   7.686   6.324
  204   HD13  ILE  30          2HD1      ILE  30   6.748   6.594   7.349
  205    H    HIS  31           H        HIS  31   3.041   4.934   3.240
  206    HA   HIS  31           HA       HIS  31   1.730   2.736   4.463
  207    HB2  HIS  31           1HB      HIS  31   0.534   4.806   4.072
  208    HB3  HIS  31           2HB      HIS  31   0.793   4.670   2.335
  209    HD1  HIS  31           HD1      HIS  31  -1.033   2.861   5.126
  210    HD2  HIS  31           HD2      HIS  31  -1.183   3.355   1.004
  211    HE1  HIS  31           HE1      HIS  31  -3.145   1.713   4.388
  212    H    GLN  32           H        GLN  32   2.956   3.341   1.228
  213    HA   GLN  32           HA       GLN  32   1.708   1.224  -0.113
  214    HB2  GLN  32           1HB      GLN  32   4.128   2.889  -0.572
  215    HB3  GLN  32           2HB      GLN  32   3.989   1.397  -1.493
  216    HG2  GLN  32           1HG      GLN  32   1.664   3.249  -1.412
  217    HG3  GLN  32           2HG      GLN  32   3.052   3.663  -2.417
  218   HE21  GLN  32          1HE2      GLN  32   0.158   2.046  -2.312
  219   HE22  GLN  32          2HE2      GLN  32   0.355   1.038  -3.701
  220    H    GLN  33           H        GLN  33   4.371   1.277   2.098
  221    HA   GLN  33           HA       GLN  33   5.302  -1.367   1.377
  222    HB2  GLN  33           1HB      GLN  33   6.078   0.530   3.594
  223    HB3  GLN  33           2HB      GLN  33   6.811  -1.053   3.367
  224    HG2  GLN  33           1HG      GLN  33   6.991   1.366   1.614
  225    HG3  GLN  33           2HG      GLN  33   8.290   0.438   2.361
  226   HE21  GLN  33          1HE2      GLN  33   6.115   0.691  -0.300
  227   HE22  GLN  33          2HE2      GLN  33   6.778  -0.595  -1.244
  228    H    SER  34           H        SER  34   2.555  -0.584   2.649
  229    HA   SER  34           HA       SER  34   2.625  -2.347   4.983
  230    HB2  SER  34           1HB      SER  34   0.464  -0.515   3.918
  231    HB3  SER  34           2HB      SER  34   0.284  -1.537   5.343
  232    HG   SER  34           HG       SER  34   2.088  -0.403   6.244
  233    H    HIS  35           H        HIS  35   1.225  -2.079   1.772
  234    HA   HIS  35           HA       HIS  35  -0.284  -4.540   2.088
  235    HB2  HIS  35           1HB      HIS  35   0.088  -2.874  -0.407
  236    HB3  HIS  35           2HB      HIS  35  -1.141  -4.103  -0.126
  237    HD1  HIS  35           HD1      HIS  35  -2.773  -3.454   2.039
  238    HD2  HIS  35           HD2      HIS  35  -0.811  -0.373   0.060
  239    HE1  HIS  35           HE1      HIS  35  -4.028  -1.360   2.644
  240    H    THR  36           H        THR  36   2.034  -5.455   2.570
  241    HA   THR  36           HA       THR  36   2.811  -6.912   0.174
  242    HB   THR  36           HB       THR  36   5.231  -6.535   0.586
  243    HG1  THR  36           HG1      THR  36   5.706  -4.620   1.900
  244   HG21  THR  36          3HG2      THR  36   3.816  -3.915   0.128
  245   HG22  THR  36          1HG2      THR  36   3.861  -5.203  -1.074
  246   HG23  THR  36          2HG2      THR  36   5.360  -4.447  -0.537
  247    H    GLY  37           H        GLY  37   2.475  -8.939   0.839
  248    HA2  GLY  37           1HA      GLY  37   3.015  -9.694   3.598
  249    HA3  GLY  37           2HA      GLY  37   2.252 -10.696   2.372
  250    H    GLU  38           H        GLU  38   5.039 -10.178   4.142
  251    HA   GLU  38           HA       GLU  38   6.652 -11.739   2.233
  252    HB2  GLU  38           1HB      GLU  38   7.373  -9.596   4.189
  253    HB3  GLU  38           2HB      GLU  38   8.564 -10.829   3.800
  254    HG2  GLU  38           1HG      GLU  38   8.704  -8.718   2.458
  255    HG3  GLU  38           2HG      GLU  38   8.610 -10.210   1.525
  256    H    ARG  39           H        ARG  39   8.219 -13.243   3.227
  257    HA   ARG  39           HA       ARG  39   7.153 -15.247   4.654
  258    HB2  ARG  39           1HB      ARG  39   9.980 -14.208   4.727
  259    HB3  ARG  39           2HB      ARG  39   9.508 -15.685   5.556
  260    HG2  ARG  39           1HG      ARG  39   8.985 -15.282   2.632
  261    HG3  ARG  39           2HG      ARG  39  10.524 -15.903   3.232
  262    HD2  ARG  39           1HD      ARG  39   9.603 -17.875   3.956
  263    HD3  ARG  39           2HD      ARG  39   8.006 -17.165   4.193
  264    HE   ARG  39           HE       ARG  39   8.734 -17.224   1.441
  265   HH11  ARG  39          1HH1      ARG  39   7.549 -19.193   4.056
  266   HH12  ARG  39          2HH1      ARG  39   6.732 -20.312   3.016
  267   HH21  ARG  39          1HH2      ARG  39   7.663 -18.691   0.062
  268   HH22  ARG  39          2HH2      ARG  39   6.798 -20.026   0.744
  269    H    HIS  40           H        HIS  40   6.174 -15.405   6.550
  270    HA   HIS  40           HA       HIS  40   6.623 -13.383   8.593
  271    HB2  HIS  40           1HB      HIS  40   4.689 -15.701   8.681
  272    HB3  HIS  40           2HB      HIS  40   4.652 -14.238   9.661
  273    HD2  HIS  40           HD2      HIS  40   4.194 -15.108   5.823
  274    HE1  HIS  40           HE1      HIS  40   1.849 -11.715   6.817
  275    HE2  HIS  40           HE2      HIS  40   2.416 -13.402   5.035
  276    H    SER  41           H        SER  41   8.885 -14.810   8.348
  277    HA   SER  41           HA       SER  41  10.319 -16.322   9.330
  278    HB2  SER  41           1HB      SER  41  10.119 -14.341  10.897
  279    HB3  SER  41           2HB      SER  41   8.999 -15.309  11.854
  280    HG   SER  41           HG       SER  41  11.649 -16.089  11.202
  281    H    GLY  42           H        GLY  42   8.011 -17.648   8.478
  282    HA2  GLY  42           1HA      GLY  42   7.907 -19.794  10.481
  283    HA3  GLY  42           2HA      GLY  42   6.396 -19.144   9.861
  284    HA   PRO  43           HA       PRO  43   8.405 -21.164   5.991
  285    HB2  PRO  43           1HB      PRO  43  10.881 -22.247   6.255
  286    HB3  PRO  43           2HB      PRO  43  10.614 -20.556   5.812
  287    HG2  PRO  43           1HG      PRO  43  11.289 -21.731   8.481
  288    HG3  PRO  43           2HG      PRO  43  11.937 -20.276   7.703
  289    HD2  PRO  43           1HD      PRO  43  10.029 -20.175   9.621
  290    HD3  PRO  43           2HD      PRO  43  10.117 -18.994   8.299
  291    H    SER  44           H        SER  44   7.010 -22.850   6.052
  292    HA   SER  44           HA       SER  44   7.466 -25.074   7.870
  293    HB2  SER  44           1HB      SER  44   5.314 -25.933   6.941
  294    HB3  SER  44           2HB      SER  44   5.177 -24.315   7.629
  295    HG   SER  44           HG       SER  44   5.371 -25.010   4.886
  296    H    SER  45           H        SER  45   8.581 -24.201   4.896
  297    HA   SER  45           HA       SER  45   8.788 -26.989   3.969
  298    HB2  SER  45           1HB      SER  45   9.000 -24.405   2.405
  299    HB3  SER  45           2HB      SER  45   9.272 -26.011   1.727
  300    HG   SER  45           HG       SER  45   7.198 -26.217   1.546
  301    H    GLY  46           H        GLY  46  10.707 -24.050   3.364
  302    HA2  GLY  46           1HA      GLY  46  13.144 -25.628   3.647
  303    HA3  GLY  46           2HA      GLY  46  13.032 -23.984   3.037
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -25.711  18.691  18.537
    2    HA2  GLY   1           1HA      GLY   1 -24.805  17.482  16.099
    3    HA3  GLY   1           2HA      GLY   1 -25.474  19.086  15.836
    4    H    SER   2           H        SER   2 -22.869  18.607  15.201
    5    HA   SER   2           HA       SER   2 -21.381  19.935  17.371
    6    HB2  SER   2           1HB      SER   2 -19.399  18.830  16.684
    7    HB3  SER   2           2HB      SER   2 -20.650  17.587  16.664
    8    HG   SER   2           HG       SER   2 -19.706  17.346  14.736
    9    H    SER   3           H        SER   3 -19.395  21.146  16.425
   10    HA   SER   3           HA       SER   3 -20.354  22.774  14.165
   11    HB2  SER   3           1HB      SER   3 -18.559  23.579  16.468
   12    HB3  SER   3           2HB      SER   3 -19.032  24.627  15.131
   13    HG   SER   3           HG       SER   3 -20.740  25.059  16.257
   14    H    GLY   4           H        GLY   4 -18.499  23.928  13.003
   15    HA2  GLY   4           1HA      GLY   4 -16.295  23.897  12.148
   16    HA3  GLY   4           2HA      GLY   4 -16.053  22.324  12.894
   17    H    SER   5           H        SER   5 -17.634  24.001  10.221
   18    HA   SER   5           HA       SER   5 -18.305  21.547   8.868
   19    HB2  SER   5           1HB      SER   5 -19.518  23.854   8.740
   20    HB3  SER   5           2HB      SER   5 -18.288  24.239   7.536
   21    HG   SER   5           HG       SER   5 -19.770  21.852   7.355
   22    H    SER   6           H        SER   6 -16.681  20.356   8.096
   23    HA   SER   6           HA       SER   6 -14.514  21.727   6.644
   24    HB2  SER   6           1HB      SER   6 -14.551  19.199   8.274
   25    HB3  SER   6           2HB      SER   6 -13.304  19.468   7.056
   26    HG   SER   6           HG       SER   6 -13.231  21.653   8.304
   27    H    GLY   7           H        GLY   7 -15.252  21.757   4.575
   28    HA2  GLY   7           1HA      GLY   7 -15.874  19.129   3.374
   29    HA3  GLY   7           2HA      GLY   7 -16.728  20.595   2.918
   30    H    THR   8           H        THR   8 -13.263  20.011   3.442
   31    HA   THR   8           HA       THR   8 -12.763  20.406   0.591
   32    HB   THR   8           HB       THR   8 -12.649  22.662   1.629
   33    HG1  THR   8           HG1      THR   8 -10.487  21.396   0.387
   34   HG21  THR   8          3HG2      THR   8 -10.749  23.170   3.119
   35   HG22  THR   8          1HG2      THR   8 -10.366  21.451   3.194
   36   HG23  THR   8          2HG2      THR   8 -11.890  22.045   3.854
   37    H    GLY   9           H        GLY   9 -11.049  19.268  -0.160
   38    HA2  GLY   9           1HA      GLY   9  -8.952  18.363   1.614
   39    HA3  GLY   9           2HA      GLY   9 -10.023  17.085   1.058
   40    H    GLU  10           H        GLU  10 -10.351  17.038  -1.379
   41    HA   GLU  10           HA       GLU  10  -9.258  16.385  -3.301
   42    HB2  GLU  10           1HB      GLU  10  -8.398  18.333  -4.558
   43    HB3  GLU  10           2HB      GLU  10  -9.963  18.643  -3.820
   44    HG2  GLU  10           1HG      GLU  10  -8.858  19.852  -2.000
   45    HG3  GLU  10           2HG      GLU  10  -7.298  19.561  -2.767
   46    H    LYS  11           H        LYS  11  -7.750  15.555  -1.154
   47    HA   LYS  11           HA       LYS  11  -5.164  16.332  -0.843
   48    HB2  LYS  11           1HB      LYS  11  -6.517  13.684  -0.783
   49    HB3  LYS  11           2HB      LYS  11  -4.758  13.690  -0.791
   50    HG2  LYS  11           1HG      LYS  11  -5.400  13.614   1.469
   51    HG3  LYS  11           2HG      LYS  11  -4.879  15.274   1.172
   52    HD2  LYS  11           1HD      LYS  11  -6.850  15.544   2.378
   53    HD3  LYS  11           2HD      LYS  11  -7.375  15.735   0.703
   54    HE2  LYS  11           1HE      LYS  11  -7.437  13.025   1.946
   55    HE3  LYS  11           2HE      LYS  11  -8.694  14.187   2.366
   56    HZ1  LYS  11           3HZ      LYS  11  -9.627  13.182   0.562
   57    HZ2  LYS  11           1HZ      LYS  11  -8.147  12.889  -0.203
   58    HZ3  LYS  11           2HZ      LYS  11  -8.814  14.443  -0.218
   59    HA   PRO  12           HA       PRO  12  -3.133  15.953  -4.730
   60    HB2  PRO  12           1HB      PRO  12  -0.574  15.699  -3.859
   61    HB3  PRO  12           2HB      PRO  12  -1.459  17.229  -3.811
   62    HG2  PRO  12           1HG      PRO  12  -0.975  15.251  -1.617
   63    HG3  PRO  12           2HG      PRO  12  -0.886  17.021  -1.567
   64    HD2  PRO  12           1HD      PRO  12  -3.027  15.644  -0.644
   65    HD3  PRO  12           2HD      PRO  12  -3.171  17.256  -1.373
   66    H    TYR  13           H        TYR  13  -2.220  13.627  -2.201
   67    HA   TYR  13           HA       TYR  13  -1.690  11.632  -4.295
   68    HB2  TYR  13           1HB      TYR  13  -0.940  11.391  -1.384
   69    HB3  TYR  13           2HB      TYR  13  -0.310  10.472  -2.746
   70    HD1  TYR  13           HD1      TYR  13   1.118  11.688  -4.458
   71    HD2  TYR  13           HD2      TYR  13   0.099  13.382  -0.690
   72    HE1  TYR  13           HE1      TYR  13   2.977  13.283  -4.678
   73    HE2  TYR  13           HE2      TYR  13   1.954  14.982  -0.901
   74    HH   TYR  13           HH       TYR  13   4.246  14.797  -3.571
   75    H    LYS  14           H        LYS  14  -2.271   9.351  -3.674
   76    HA   LYS  14           HA       LYS  14  -4.316   8.862  -1.770
   77    HB2  LYS  14           1HB      LYS  14  -5.615  10.155  -3.455
   78    HB3  LYS  14           2HB      LYS  14  -5.212   8.936  -4.657
   79    HG2  LYS  14           1HG      LYS  14  -7.329   8.310  -3.986
   80    HG3  LYS  14           2HG      LYS  14  -6.293   7.277  -2.998
   81    HD2  LYS  14           1HD      LYS  14  -6.704   8.494  -1.067
   82    HD3  LYS  14           2HD      LYS  14  -7.192   9.936  -1.960
   83    HE2  LYS  14           1HE      LYS  14  -8.751   7.356  -1.828
   84    HE3  LYS  14           2HE      LYS  14  -9.090   8.797  -0.870
   85    HZ1  LYS  14           3HZ      LYS  14  -9.810   8.211  -3.565
   86    HZ2  LYS  14           1HZ      LYS  14  -8.985   9.685  -3.458
   87    HZ3  LYS  14           2HZ      LYS  14 -10.384   9.430  -2.542
   88    H    CYS  15           H        CYS  15  -4.159   6.785  -1.242
   89    HA   CYS  15           HA       CYS  15  -2.514   5.006  -2.748
   90    HB2  CYS  15           1HB      CYS  15  -2.506   4.805  -0.359
   91    HB3  CYS  15           2HB      CYS  15  -4.254   4.599  -0.313
   92    H    SER  16           H        SER  16  -3.250   4.298  -4.659
   93    HA   SER  16           HA       SER  16  -6.038   3.691  -5.083
   94    HB2  SER  16           1HB      SER  16  -5.331   3.121  -7.377
   95    HB3  SER  16           2HB      SER  16  -4.719   4.700  -6.886
   96    HG   SER  16           HG       SER  16  -3.149   3.315  -7.928
   97    H    ASP  17           H        ASP  17  -5.085   2.121  -3.042
   98    HA   ASP  17           HA       ASP  17  -5.140  -0.550  -4.276
   99    HB2  ASP  17           1HB      ASP  17  -2.867   0.126  -3.331
  100    HB3  ASP  17           2HB      ASP  17  -3.623   0.062  -1.742
  101    H    CYS  18           H        CYS  18  -5.595   1.216  -1.216
  102    HA   CYS  18           HA       CYS  18  -7.834  -0.604  -0.611
  103    HB2  CYS  18           1HB      CYS  18  -7.419  -0.135   1.768
  104    HB3  CYS  18           2HB      CYS  18  -6.003  -0.838   0.994
  105    H    GLY  19           H        GLY  19  -6.671   2.737  -0.360
  106    HA2  GLY  19           1HA      GLY  19  -8.349   4.406  -1.177
  107    HA3  GLY  19           2HA      GLY  19  -9.489   3.594  -0.114
  108    H    LYS  20           H        LYS  20  -6.234   5.040   0.092
  109    HA   LYS  20           HA       LYS  20  -7.150   6.556   2.433
  110    HB2  LYS  20           1HB      LYS  20  -5.790   4.430   2.995
  111    HB3  LYS  20           2HB      LYS  20  -4.410   5.319   2.366
  112    HG2  LYS  20           1HG      LYS  20  -4.799   7.082   4.020
  113    HG3  LYS  20           2HG      LYS  20  -6.167   6.169   4.660
  114    HD2  LYS  20           1HD      LYS  20  -4.641   4.309   5.196
  115    HD3  LYS  20           2HD      LYS  20  -3.284   5.273   4.608
  116    HE2  LYS  20           1HE      LYS  20  -5.076   6.400   6.710
  117    HE3  LYS  20           2HE      LYS  20  -3.872   5.196   7.164
  118    HZ1  LYS  20           3HZ      LYS  20  -2.579   7.036   5.549
  119    HZ2  LYS  20           1HZ      LYS  20  -2.392   6.822   7.217
  120    HZ3  LYS  20           2HZ      LYS  20  -3.511   7.945   6.629
  121    H    ALA  21           H        ALA  21  -6.766   8.650   2.185
  122    HA   ALA  21           HA       ALA  21  -4.881   9.518   0.129
  123    HB1  ALA  21           3HB      ALA  21  -5.945  11.702   0.339
  124    HB2  ALA  21           1HB      ALA  21  -7.145  10.438   0.069
  125    HB3  ALA  21           2HB      ALA  21  -6.918  11.108   1.685
  126    H    PHE  22           H        PHE  22  -3.352  11.211   0.536
  127    HA   PHE  22           HA       PHE  22  -2.629  11.604   3.352
  128    HB2  PHE  22           1HB      PHE  22  -0.650  10.861   1.187
  129    HB3  PHE  22           2HB      PHE  22  -0.275  11.184   2.877
  130    HD1  PHE  22           HD1      PHE  22  -2.303   8.920   0.731
  131    HD2  PHE  22           HD2      PHE  22  -0.171   9.433   4.379
  132    HE1  PHE  22           HE1      PHE  22  -2.627   6.537   1.251
  133    HE2  PHE  22           HE2      PHE  22  -0.491   7.051   4.905
  134    HZ   PHE  22           HZ       PHE  22  -1.720   5.600   3.340
  135    H    THR  23           H        THR  23  -0.811  13.302   3.499
  136    HA   THR  23           HA       THR  23  -1.594  15.544   1.778
  137    HB   THR  23           HB       THR  23  -0.080  15.588   4.397
  138    HG1  THR  23           HG1      THR  23  -2.256  16.665   4.926
  139   HG21  THR  23          3HG2      THR  23  -0.493  17.579   2.364
  140   HG22  THR  23          1HG2      THR  23   0.432  17.690   3.861
  141   HG23  THR  23          2HG2      THR  23  -1.292  18.064   3.860
  142    H    ARG  24           H        ARG  24   1.240  13.794   2.952
  143    HA   ARG  24           HA       ARG  24   2.917  15.307   1.070
  144    HB2  ARG  24           1HB      ARG  24   3.699  13.591   3.434
  145    HB3  ARG  24           2HB      ARG  24   4.830  14.411   2.366
  146    HG2  ARG  24           1HG      ARG  24   2.728  16.019   3.724
  147    HG3  ARG  24           2HG      ARG  24   4.117  15.462   4.659
  148    HD2  ARG  24           1HD      ARG  24   5.616  16.711   3.427
  149    HD3  ARG  24           2HD      ARG  24   4.555  16.785   2.020
  150    HE   ARG  24           HE       ARG  24   4.594  18.585   4.260
  151   HH11  ARG  24          1HH1      ARG  24   2.672  17.281   1.667
  152   HH12  ARG  24          2HH1      ARG  24   1.599  18.640   1.605
  153   HH21  ARG  24          1HH2      ARG  24   3.188  20.380   4.188
  154   HH22  ARG  24          2HH2      ARG  24   1.894  20.402   3.038
  155    H    LYS  25           H        LYS  25   4.799  13.919   0.194
  156    HA   LYS  25           HA       LYS  25   3.634  11.801  -1.339
  157    HB2  LYS  25           1HB      LYS  25   5.275  13.250  -2.368
  158    HB3  LYS  25           2HB      LYS  25   6.471  12.824  -1.151
  159    HG2  LYS  25           1HG      LYS  25   7.165  11.474  -2.836
  160    HG3  LYS  25           2HG      LYS  25   6.004  10.387  -2.071
  161    HD2  LYS  25           1HD      LYS  25   5.012  12.235  -4.178
  162    HD3  LYS  25           2HD      LYS  25   5.982  10.848  -4.681
  163    HE2  LYS  25           1HE      LYS  25   4.439   9.375  -3.419
  164    HE3  LYS  25           2HE      LYS  25   3.443  10.782  -3.052
  165    HZ1  LYS  25           3HZ      LYS  25   2.633   9.490  -4.965
  166    HZ2  LYS  25           1HZ      LYS  25   4.065   9.836  -5.796
  167    HZ3  LYS  25           2HZ      LYS  25   3.008  11.087  -5.376
  168    H    SER  26           H        SER  26   6.316  11.918   1.007
  169    HA   SER  26           HA       SER  26   6.898   9.219   1.112
  170    HB2  SER  26           1HB      SER  26   8.324  10.811   2.224
  171    HB3  SER  26           2HB      SER  26   7.019  11.298   3.307
  172    HG   SER  26           HG       SER  26   7.371   9.593   4.506
  173    H    GLY  27           H        GLY  27   4.524  11.031   3.041
  174    HA2  GLY  27           1HA      GLY  27   3.618   9.197   4.810
  175    HA3  GLY  27           2HA      GLY  27   2.535  10.288   3.959
  176    H    LEU  28           H        LEU  28   2.802   9.256   1.363
  177    HA   LEU  28           HA       LEU  28   1.087   6.950   1.594
  178    HB2  LEU  28           1HB      LEU  28   0.438   8.480  -0.058
  179    HB3  LEU  28           2HB      LEU  28   2.075   8.618  -0.695
  180    HG   LEU  28           HG       LEU  28   1.878   6.303  -1.567
  181   HD11  LEU  28          1HD1      LEU  28  -0.403   5.337  -1.715
  182   HD12  LEU  28          2HD1      LEU  28  -0.962   6.580  -0.597
  183   HD13  LEU  28          3HD1      LEU  28   0.235   5.396  -0.071
  184   HD21  LEU  28          3HD2      LEU  28  -0.345   8.085  -2.544
  185   HD22  LEU  28          1HD2      LEU  28   0.559   6.882  -3.464
  186   HD23  LEU  28          2HD2      LEU  28   1.359   8.353  -2.911
  187    H    HIS  29           H        HIS  29   4.288   7.644   0.228
  188    HA   HIS  29           HA       HIS  29   4.903   5.217  -0.901
  189    HB2  HIS  29           1HB      HIS  29   6.595   7.261   0.507
  190    HB3  HIS  29           2HB      HIS  29   7.316   5.779  -0.115
  191    HD2  HIS  29           HD2      HIS  29   4.579   7.336  -2.349
  192    HE1  HIS  29           HE1      HIS  29   8.345   8.309  -4.043
  193    HE2  HIS  29           HE2      HIS  29   5.845   8.402  -4.337
  194    H    ILE  30           H        ILE  30   5.387   6.175   2.491
  195    HA   ILE  30           HA       ILE  30   6.452   3.705   3.343
  196    HB   ILE  30           HB       ILE  30   4.986   5.797   4.957
  197   HG12  ILE  30          1HG1      ILE  30   7.962   5.355   4.674
  198   HG13  ILE  30          2HG1      ILE  30   7.062   6.529   3.719
  199   HG21  ILE  30          1HG2      ILE  30   6.794   3.563   5.871
  200   HG22  ILE  30          2HG2      ILE  30   6.081   4.806   6.898
  201   HG23  ILE  30          3HG2      ILE  30   5.045   3.631   6.087
  202   HD11  ILE  30          3HD1      ILE  30   6.627   7.872   5.564
  203   HD12  ILE  30          1HD1      ILE  30   6.985   6.580   6.709
  204   HD13  ILE  30          2HD1      ILE  30   8.292   7.344   5.804
  205    H    HIS  31           H        HIS  31   3.154   5.022   3.464
  206    HA   HIS  31           HA       HIS  31   1.895   2.965   4.820
  207    HB2  HIS  31           1HB      HIS  31   0.552   4.828   4.445
  208    HB3  HIS  31           2HB      HIS  31   0.974   4.915   2.738
  209    HD1  HIS  31           HD1      HIS  31  -0.908   2.509   5.016
  210    HD2  HIS  31           HD2      HIS  31  -1.010   4.017   1.146
  211    HE1  HIS  31           HE1      HIS  31  -2.963   1.515   3.961
  212    H    GLN  32           H        GLN  32   2.866   3.153   1.453
  213    HA   GLN  32           HA       GLN  32   1.429   0.960   0.464
  214    HB2  GLN  32           1HB      GLN  32   3.906   2.402  -0.373
  215    HB3  GLN  32           2HB      GLN  32   3.523   0.869  -1.145
  216    HG2  GLN  32           1HG      GLN  32   1.594   3.168  -0.997
  217    HG3  GLN  32           2HG      GLN  32   2.717   2.924  -2.334
  218   HE21  GLN  32          1HE2      GLN  32   1.398   2.404  -3.961
  219   HE22  GLN  32          2HE2      GLN  32   0.294   1.075  -3.957
  220    H    GLN  33           H        GLN  33   4.742   1.131   1.752
  221    HA   GLN  33           HA       GLN  33   5.732  -1.324   1.436
  222    HB2  GLN  33           1HB      GLN  33   5.717   0.400   3.893
  223    HB3  GLN  33           2HB      GLN  33   6.537  -1.156   3.899
  224    HG2  GLN  33           1HG      GLN  33   7.121   0.826   1.746
  225    HG3  GLN  33           2HG      GLN  33   7.853   1.007   3.340
  226   HE21  GLN  33          1HE2      GLN  33   8.053  -0.494   0.338
  227   HE22  GLN  33          2HE2      GLN  33   9.313  -1.619   0.700
  228    H    SER  34           H        SER  34   3.471  -0.554   4.084
  229    HA   SER  34           HA       SER  34   3.183  -3.004   5.241
  230    HB2  SER  34           1HB      SER  34   1.029  -2.303   6.022
  231    HB3  SER  34           2HB      SER  34   2.030  -0.856   5.911
  232    HG   SER  34           HG       SER  34   0.720  -0.092   4.462
  233    H    HIS  35           H        HIS  35   1.290  -1.818   2.466
  234    HA   HIS  35           HA       HIS  35  -0.285  -4.028   2.006
  235    HB2  HIS  35           1HB      HIS  35   0.918  -2.005   0.134
  236    HB3  HIS  35           2HB      HIS  35  -0.102  -3.307  -0.472
  237    HD1  HIS  35           HD1      HIS  35  -2.486  -3.406   1.133
  238    HD2  HIS  35           HD2      HIS  35  -0.554   0.217   0.499
  239    HE1  HIS  35           HE1      HIS  35  -4.218  -1.635   1.569
  240    H    THR  36           H        THR  36   3.100  -3.563   1.275
  241    HA   THR  36           HA       THR  36   3.249  -6.028  -0.262
  242    HB   THR  36           HB       THR  36   5.419  -4.080   0.542
  243    HG1  THR  36           HG1      THR  36   5.282  -3.730  -1.848
  244   HG21  THR  36          3HG2      THR  36   6.073  -6.530   0.118
  245   HG22  THR  36          1HG2      THR  36   6.930  -5.283  -0.785
  246   HG23  THR  36          2HG2      THR  36   5.648  -6.211  -1.563
  247    H    GLY  37           H        GLY  37   2.681  -7.549   1.354
  248    HA2  GLY  37           1HA      GLY  37   4.789  -8.799   2.654
  249    HA3  GLY  37           2HA      GLY  37   4.038  -7.744   3.842
  250    H    GLU  38           H        GLU  38   2.175  -8.362   4.813
  251    HA   GLU  38           HA       GLU  38   0.950 -10.868   3.863
  252    HB2  GLU  38           1HB      GLU  38   2.288 -11.113   5.967
  253    HB3  GLU  38           2HB      GLU  38   1.185  -9.984   6.742
  254    HG2  GLU  38           1HG      GLU  38  -0.676 -11.568   6.159
  255    HG3  GLU  38           2HG      GLU  38   0.565 -12.722   5.675
  256    H    ARG  39           H        ARG  39   0.261  -8.173   6.101
  257    HA   ARG  39           HA       ARG  39  -2.558  -8.376   5.717
  258    HB2  ARG  39           1HB      ARG  39  -0.926  -6.132   6.921
  259    HB3  ARG  39           2HB      ARG  39  -2.671  -6.313   7.051
  260    HG2  ARG  39           1HG      ARG  39  -2.349  -8.419   8.269
  261    HG3  ARG  39           2HG      ARG  39  -0.602  -8.194   8.166
  262    HD2  ARG  39           1HD      ARG  39  -2.249  -5.994   9.305
  263    HD3  ARG  39           2HD      ARG  39  -1.979  -7.432  10.289
  264    HE   ARG  39           HE       ARG  39  -0.037  -5.425   9.567
  265   HH11  ARG  39          1HH1      ARG  39  -0.552  -8.683  10.679
  266   HH12  ARG  39          2HH1      ARG  39   1.013  -8.821  11.407
  267   HH21  ARG  39          1HH2      ARG  39   2.028  -5.594  10.522
  268   HH22  ARG  39          2HH2      ARG  39   2.480  -7.063  11.318
  269    H    HIS  40           H        HIS  40  -2.735  -8.250   3.416
  270    HA   HIS  40           HA       HIS  40  -2.636  -5.480   2.429
  271    HB2  HIS  40           1HB      HIS  40  -1.895  -6.233   0.256
  272    HB3  HIS  40           2HB      HIS  40  -0.773  -6.835   1.474
  273    HD2  HIS  40           HD2      HIS  40  -1.686  -8.244  -1.582
  274    HE1  HIS  40           HE1      HIS  40  -2.612 -11.456   1.030
  275    HE2  HIS  40           HE2      HIS  40  -2.098 -10.787  -1.343
  276    H    SER  41           H        SER  41  -4.882  -6.629   3.580
  277    HA   SER  41           HA       SER  41  -6.763  -6.384   1.423
  278    HB2  SER  41           1HB      SER  41  -7.777  -8.538   1.547
  279    HB3  SER  41           2HB      SER  41  -6.045  -8.824   1.380
  280    HG   SER  41           HG       SER  41  -6.147  -9.869   3.186
  281    H    GLY  42           H        GLY  42  -9.035  -6.481   2.225
  282    HA2  GLY  42           1HA      GLY  42  -9.426  -6.289   5.086
  283    HA3  GLY  42           2HA      GLY  42  -9.587  -4.762   4.231
  284    HA   PRO  43           HA       PRO  43 -13.822  -5.728   3.580
  285    HB2  PRO  43           1HB      PRO  43 -14.322  -4.108   1.459
  286    HB3  PRO  43           2HB      PRO  43 -14.105  -3.498   3.104
  287    HG2  PRO  43           1HG      PRO  43 -12.142  -3.595   0.847
  288    HG3  PRO  43           2HG      PRO  43 -12.454  -2.287   2.003
  289    HD2  PRO  43           1HD      PRO  43 -10.358  -3.984   2.254
  290    HD3  PRO  43           2HD      PRO  43 -11.186  -3.275   3.655
  291    H    SER  44           H        SER  44 -15.220  -6.845   2.178
  292    HA   SER  44           HA       SER  44 -13.844  -8.279   0.010
  293    HB2  SER  44           1HB      SER  44 -16.064  -9.034   1.882
  294    HB3  SER  44           2HB      SER  44 -15.913  -9.851   0.326
  295    HG   SER  44           HG       SER  44 -13.540  -9.971   1.170
  296    H    SER  45           H        SER  45 -15.232  -8.931  -1.843
  297    HA   SER  45           HA       SER  45 -16.630  -6.614  -2.842
  298    HB2  SER  45           1HB      SER  45 -16.614  -7.708  -4.961
  299    HB3  SER  45           2HB      SER  45 -15.062  -8.075  -4.208
  300    HG   SER  45           HG       SER  45 -17.325  -9.783  -4.110
  301    H    GLY  46           H        GLY  46 -18.787  -6.418  -3.297
  302    HA2  GLY  46           1HA      GLY  46 -20.561  -8.147  -1.820
  303    HA3  GLY  46           2HA      GLY  46 -21.016  -6.716  -2.732
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -32.522  18.977 -10.898
    2    HA2  GLY   1           1HA      GLY   1 -30.665  17.249 -10.187
    3    HA3  GLY   1           2HA      GLY   1 -29.999  17.755 -11.732
    4    H    SER   2           H        SER   2 -31.114  19.011  -8.608
    5    HA   SER   2           HA       SER   2 -29.678  21.491  -8.971
    6    HB2  SER   2           1HB      SER   2 -31.876  21.232  -7.701
    7    HB3  SER   2           2HB      SER   2 -30.928  20.498  -6.408
    8    HG   SER   2           HG       SER   2 -29.885  22.396  -6.083
    9    H    SER   3           H        SER   3 -27.928  19.387  -9.211
   10    HA   SER   3           HA       SER   3 -26.458  19.345  -6.664
   11    HB2  SER   3           1HB      SER   3 -27.080  17.159  -7.801
   12    HB3  SER   3           2HB      SER   3 -25.935  17.593  -9.070
   13    HG   SER   3           HG       SER   3 -24.901  16.319  -7.534
   14    H    GLY   4           H        GLY   4 -25.016  20.940  -6.542
   15    HA2  GLY   4           1HA      GLY   4 -22.928  21.135  -8.510
   16    HA3  GLY   4           2HA      GLY   4 -23.998  22.528  -8.510
   17    H    SER   5           H        SER   5 -21.951  20.562  -6.381
   18    HA   SER   5           HA       SER   5 -21.435  22.994  -4.797
   19    HB2  SER   5           1HB      SER   5 -21.564  20.106  -3.914
   20    HB3  SER   5           2HB      SER   5 -20.899  21.395  -2.910
   21    HG   SER   5           HG       SER   5 -23.426  21.799  -4.013
   22    H    SER   6           H        SER   6 -19.466  23.766  -5.106
   23    HA   SER   6           HA       SER   6 -17.395  22.178  -6.311
   24    HB2  SER   6           1HB      SER   6 -17.809  24.658  -6.731
   25    HB3  SER   6           2HB      SER   6 -17.080  24.949  -5.152
   26    HG   SER   6           HG       SER   6 -15.671  23.320  -6.912
   27    H    GLY   7           H        GLY   7 -15.869  21.040  -5.309
   28    HA2  GLY   7           1HA      GLY   7 -15.243  21.703  -2.503
   29    HA3  GLY   7           2HA      GLY   7 -15.568  20.043  -2.981
   30    H    THR   8           H        THR   8 -13.355  22.753  -3.389
   31    HA   THR   8           HA       THR   8 -11.386  21.099  -4.727
   32    HB   THR   8           HB       THR   8  -9.962  23.156  -4.633
   33    HG1  THR   8           HG1      THR   8 -11.263  25.102  -4.044
   34   HG21  THR   8          3HG2      THR   8 -10.880  23.734  -6.583
   35   HG22  THR   8          1HG2      THR   8 -12.341  24.321  -5.790
   36   HG23  THR   8          2HG2      THR   8 -12.194  22.617  -6.218
   37    H    GLY   9           H        GLY   9 -12.016  20.066  -2.229
   38    HA2  GLY   9           1HA      GLY   9  -9.527  20.613  -0.730
   39    HA3  GLY   9           2HA      GLY   9 -11.057  20.293   0.074
   40    H    GLU  10           H        GLU  10  -8.764  18.841  -2.222
   41    HA   GLU  10           HA       GLU  10  -9.261  16.250  -0.923
   42    HB2  GLU  10           1HB      GLU  10 -10.469  16.205  -3.022
   43    HB3  GLU  10           2HB      GLU  10  -9.049  16.767  -3.893
   44    HG2  GLU  10           1HG      GLU  10  -7.920  14.634  -3.029
   45    HG3  GLU  10           2HG      GLU  10  -9.554  14.088  -2.658
   46    H    LYS  11           H        LYS  11  -7.494  14.920  -0.684
   47    HA   LYS  11           HA       LYS  11  -4.965  16.126  -0.507
   48    HB2  LYS  11           1HB      LYS  11  -5.992  13.331  -0.290
   49    HB3  LYS  11           2HB      LYS  11  -4.255  13.576  -0.423
   50    HG2  LYS  11           1HG      LYS  11  -4.735  13.456   1.879
   51    HG3  LYS  11           2HG      LYS  11  -4.446  15.162   1.526
   52    HD2  LYS  11           1HD      LYS  11  -6.350  15.234   2.848
   53    HD3  LYS  11           2HD      LYS  11  -7.017  15.277   1.214
   54    HE2  LYS  11           1HE      LYS  11  -7.747  13.076   1.320
   55    HE3  LYS  11           2HE      LYS  11  -6.629  12.664   2.619
   56    HZ1  LYS  11           3HZ      LYS  11  -7.946  13.786   4.186
   57    HZ2  LYS  11           1HZ      LYS  11  -9.041  12.898   3.250
   58    HZ3  LYS  11           2HZ      LYS  11  -8.869  14.561   3.000
   59    HA   PRO  12           HA       PRO  12  -3.298  15.799  -4.560
   60    HB2  PRO  12           1HB      PRO  12  -0.657  15.552  -3.980
   61    HB3  PRO  12           2HB      PRO  12  -1.543  17.071  -3.796
   62    HG2  PRO  12           1HG      PRO  12  -0.807  15.043  -1.720
   63    HG3  PRO  12           2HG      PRO  12  -0.727  16.812  -1.634
   64    HD2  PRO  12           1HD      PRO  12  -2.743  15.389  -0.520
   65    HD3  PRO  12           2HD      PRO  12  -2.979  17.018  -1.186
   66    H    TYR  13           H        TYR  13  -2.596  13.323  -2.190
   67    HA   TYR  13           HA       TYR  13  -2.095  11.420  -4.385
   68    HB2  TYR  13           1HB      TYR  13  -1.107  11.054  -1.561
   69    HB3  TYR  13           2HB      TYR  13  -0.595  10.202  -3.014
   70    HD1  TYR  13           HD1      TYR  13   0.772  11.420  -4.727
   71    HD2  TYR  13           HD2      TYR  13  -0.072  13.080  -0.902
   72    HE1  TYR  13           HE1      TYR  13   2.621  13.016  -5.018
   73    HE2  TYR  13           HE2      TYR  13   1.773  14.682  -1.183
   74    HH   TYR  13           HH       TYR  13   3.253  15.548  -2.636
   75    H    LYS  14           H        LYS  14  -2.558   9.088  -3.612
   76    HA   LYS  14           HA       LYS  14  -4.508   8.636  -1.617
   77    HB2  LYS  14           1HB      LYS  14  -5.817   9.921  -3.399
   78    HB3  LYS  14           2HB      LYS  14  -5.629   8.495  -4.412
   79    HG2  LYS  14           1HG      LYS  14  -6.621   7.283  -2.290
   80    HG3  LYS  14           2HG      LYS  14  -7.276   8.892  -1.975
   81    HD2  LYS  14           1HD      LYS  14  -7.959   8.720  -4.524
   82    HD3  LYS  14           2HD      LYS  14  -7.871   6.990  -4.185
   83    HE2  LYS  14           1HE      LYS  14 -10.108   7.596  -3.776
   84    HE3  LYS  14           2HE      LYS  14  -9.361   7.455  -2.185
   85    HZ1  LYS  14           3HZ      LYS  14  -9.259  10.095  -3.379
   86    HZ2  LYS  14           1HZ      LYS  14  -9.597   9.638  -1.786
   87    HZ3  LYS  14           2HZ      LYS  14 -10.807   9.553  -2.965
   88    H    CYS  15           H        CYS  15  -4.381   6.555  -1.078
   89    HA   CYS  15           HA       CYS  15  -2.926   4.740  -2.812
   90    HB2  CYS  15           1HB      CYS  15  -2.292   4.694  -0.505
   91    HB3  CYS  15           2HB      CYS  15  -3.963   4.498   0.014
   92    H    SER  16           H        SER  16  -3.851   3.345  -4.149
   93    HA   SER  16           HA       SER  16  -6.729   2.994  -4.096
   94    HB2  SER  16           1HB      SER  16  -6.471   1.942  -6.254
   95    HB3  SER  16           2HB      SER  16  -5.468   3.392  -6.227
   96    HG   SER  16           HG       SER  16  -4.605   0.714  -5.853
   97    H    ASP  17           H        ASP  17  -3.833   1.153  -3.431
   98    HA   ASP  17           HA       ASP  17  -4.615  -1.440  -3.486
   99    HB2  ASP  17           1HB      ASP  17  -2.388  -0.688  -2.742
  100    HB3  ASP  17           2HB      ASP  17  -3.087  -0.141  -1.220
  101    H    CYS  18           H        CYS  18  -5.086   0.673  -0.648
  102    HA   CYS  18           HA       CYS  18  -7.263  -1.116   0.206
  103    HB2  CYS  18           1HB      CYS  18  -6.867  -0.365   2.472
  104    HB3  CYS  18           2HB      CYS  18  -5.345  -0.912   1.776
  105    H    GLY  19           H        GLY  19  -6.314   2.268  -0.181
  106    HA2  GLY  19           1HA      GLY  19  -8.020   3.737  -1.179
  107    HA3  GLY  19           2HA      GLY  19  -9.183   2.972  -0.107
  108    H    LYS  20           H        LYS  20  -6.071   4.701   0.099
  109    HA   LYS  20           HA       LYS  20  -7.200   6.236   2.345
  110    HB2  LYS  20           1HB      LYS  20  -4.572   4.841   2.103
  111    HB3  LYS  20           2HB      LYS  20  -4.638   6.348   3.007
  112    HG2  LYS  20           1HG      LYS  20  -6.521   5.314   4.340
  113    HG3  LYS  20           2HG      LYS  20  -6.095   3.783   3.570
  114    HD2  LYS  20           1HD      LYS  20  -4.014   3.699   4.610
  115    HD3  LYS  20           2HD      LYS  20  -4.008   5.430   4.952
  116    HE2  LYS  20           1HE      LYS  20  -4.417   4.433   7.027
  117    HE3  LYS  20           2HE      LYS  20  -6.009   4.948   6.472
  118    HZ1  LYS  20           3HZ      LYS  20  -4.888   2.214   6.533
  119    HZ2  LYS  20           1HZ      LYS  20  -6.225   2.602   5.571
  120    HZ3  LYS  20           2HZ      LYS  20  -6.309   2.785   7.250
  121    H    ALA  21           H        ALA  21  -5.675   8.228   2.764
  122    HA   ALA  21           HA       ALA  21  -4.761   9.381   0.230
  123    HB1  ALA  21           3HB      ALA  21  -6.988  10.192   0.339
  124    HB2  ALA  21           1HB      ALA  21  -6.827  10.600   2.047
  125    HB3  ALA  21           2HB      ALA  21  -5.939  11.522   0.832
  126    H    PHE  22           H        PHE  22  -3.319  11.166   0.467
  127    HA   PHE  22           HA       PHE  22  -2.362  11.779   3.148
  128    HB2  PHE  22           1HB      PHE  22  -0.436  10.811   1.033
  129    HB3  PHE  22           2HB      PHE  22  -0.083  11.178   2.718
  130    HD1  PHE  22           HD1      PHE  22  -1.804   8.812   0.471
  131    HD2  PHE  22           HD2      PHE  22  -0.388   9.565   4.414
  132    HE1  PHE  22           HE1      PHE  22  -2.205   6.457   1.061
  133    HE2  PHE  22           HE2      PHE  22  -0.786   7.212   5.010
  134    HZ   PHE  22           HZ       PHE  22  -1.695   5.654   3.333
  135    H    THR  23           H        THR  23  -0.783  13.566   3.147
  136    HA   THR  23           HA       THR  23  -1.416  15.458   0.995
  137    HB   THR  23           HB       THR  23  -1.971  16.233   3.240
  138    HG1  THR  23           HG1      THR  23  -0.348  18.108   3.183
  139   HG21  THR  23          3HG2      THR  23   0.581  16.742   4.351
  140   HG22  THR  23          1HG2      THR  23   0.537  15.037   3.905
  141   HG23  THR  23          2HG2      THR  23  -0.692  15.698   4.983
  142    H    ARG  24           H        ARG  24   1.215  13.776   2.526
  143    HA   ARG  24           HA       ARG  24   3.110  15.155   0.739
  144    HB2  ARG  24           1HB      ARG  24   3.738  13.746   3.339
  145    HB3  ARG  24           2HB      ARG  24   4.867  14.647   2.335
  146    HG2  ARG  24           1HG      ARG  24   2.459  16.057   3.352
  147    HG3  ARG  24           2HG      ARG  24   3.772  15.708   4.479
  148    HD2  ARG  24           1HD      ARG  24   4.465  17.741   3.713
  149    HD3  ARG  24           2HD      ARG  24   5.238  16.701   2.517
  150    HE   ARG  24           HE       ARG  24   2.778  17.292   1.465
  151   HH11  ARG  24          1HH1      ARG  24   5.522  19.126   2.572
  152   HH12  ARG  24          2HH1      ARG  24   5.250  20.440   1.476
  153   HH21  ARG  24          1HH2      ARG  24   2.410  19.016   0.017
  154   HH22  ARG  24          2HH2      ARG  24   3.479  20.377   0.024
  155    H    LYS  25           H        LYS  25   4.907  13.829  -0.055
  156    HA   LYS  25           HA       LYS  25   4.030  11.495  -1.317
  157    HB2  LYS  25           1HB      LYS  25   6.762  12.663  -0.848
  158    HB3  LYS  25           2HB      LYS  25   6.558  11.133  -1.691
  159    HG2  LYS  25           1HG      LYS  25   5.089  13.588  -2.572
  160    HG3  LYS  25           2HG      LYS  25   6.752  13.281  -3.078
  161    HD2  LYS  25           1HD      LYS  25   5.737  10.907  -3.678
  162    HD3  LYS  25           2HD      LYS  25   4.246  11.846  -3.789
  163    HE2  LYS  25           1HE      LYS  25   6.813  12.442  -5.259
  164    HE3  LYS  25           2HE      LYS  25   5.392  11.665  -5.955
  165    HZ1  LYS  25           3HZ      LYS  25   4.484  13.636  -6.320
  166    HZ2  LYS  25           1HZ      LYS  25   5.915  14.375  -5.804
  167    HZ3  LYS  25           2HZ      LYS  25   4.664  14.093  -4.702
  168    H    SER  26           H        SER  26   6.544  11.720   1.208
  169    HA   SER  26           HA       SER  26   7.031   9.146   1.772
  170    HB2  SER  26           1HB      SER  26   7.759  11.330   3.023
  171    HB3  SER  26           2HB      SER  26   6.429  10.929   4.109
  172    HG   SER  26           HG       SER  26   7.589   8.712   3.979
  173    H    GLY  27           H        GLY  27   4.354  10.927   3.329
  174    HA2  GLY  27           1HA      GLY  27   3.152   9.052   4.825
  175    HA3  GLY  27           2HA      GLY  27   2.220  10.168   3.838
  176    H    LEU  28           H        LEU  28   2.889   9.217   1.294
  177    HA   LEU  28           HA       LEU  28   1.208   6.866   1.205
  178    HB2  LEU  28           1HB      LEU  28   0.755   8.530  -0.422
  179    HB3  LEU  28           2HB      LEU  28   2.448   8.612  -0.906
  180    HG   LEU  28           HG       LEU  28   2.205   6.275  -1.795
  181   HD11  LEU  28          1HD1      LEU  28   0.276   5.558  -0.538
  182   HD12  LEU  28          2HD1      LEU  28  -0.095   5.510  -2.261
  183   HD13  LEU  28          3HD1      LEU  28  -0.711   6.828  -1.263
  184   HD21  LEU  28          3HD2      LEU  28   2.213   7.775  -3.510
  185   HD22  LEU  28          1HD2      LEU  28   0.843   8.684  -2.871
  186   HD23  LEU  28          2HD2      LEU  28   0.574   7.147  -3.692
  187    H    HIS  29           H        HIS  29   4.540   7.723   0.364
  188    HA   HIS  29           HA       HIS  29   5.361   5.356  -0.810
  189    HB2  HIS  29           1HB      HIS  29   6.851   7.342   0.901
  190    HB3  HIS  29           2HB      HIS  29   7.652   5.965   0.150
  191    HD2  HIS  29           HD2      HIS  29   5.002   7.701  -2.051
  192    HE1  HIS  29           HE1      HIS  29   8.822   8.989  -3.371
  193    HE2  HIS  29           HE2      HIS  29   6.343   9.039  -3.811
  194    H    ILE  30           H        ILE  30   5.701   6.237   2.632
  195    HA   ILE  30           HA       ILE  30   6.637   3.739   3.492
  196    HB   ILE  30           HB       ILE  30   5.080   5.793   5.066
  197   HG12  ILE  30          1HG1      ILE  30   8.052   5.399   5.175
  198   HG13  ILE  30          2HG1      ILE  30   7.344   6.375   3.892
  199   HG21  ILE  30          1HG2      ILE  30   5.863   4.746   7.043
  200   HG22  ILE  30          2HG2      ILE  30   5.181   3.472   6.034
  201   HG23  ILE  30          3HG2      ILE  30   6.930   3.675   6.134
  202   HD11  ILE  30          3HD1      ILE  30   6.861   6.873   6.815
  203   HD12  ILE  30          1HD1      ILE  30   8.142   7.648   5.882
  204   HD13  ILE  30          2HD1      ILE  30   6.452   7.921   5.457
  205    H    HIS  31           H        HIS  31   3.343   5.085   3.516
  206    HA   HIS  31           HA       HIS  31   2.000   2.992   4.712
  207    HB2  HIS  31           1HB      HIS  31   0.817   5.013   4.255
  208    HB3  HIS  31           2HB      HIS  31   1.126   4.881   2.526
  209    HD1  HIS  31           HD1      HIS  31  -0.547   2.613   5.098
  210    HD2  HIS  31           HD2      HIS  31  -1.132   4.125   1.273
  211    HE1  HIS  31           HE1      HIS  31  -2.740   1.654   4.325
  212    H    GLN  32           H        GLN  32   2.361   3.476   1.193
  213    HA   GLN  32           HA       GLN  32   1.223   1.201   0.244
  214    HB2  GLN  32           1HB      GLN  32   3.583   2.789  -0.677
  215    HB3  GLN  32           2HB      GLN  32   3.186   1.290  -1.506
  216    HG2  GLN  32           1HG      GLN  32   0.781   2.363  -1.567
  217    HG3  GLN  32           2HG      GLN  32   1.701   3.858  -1.405
  218   HE21  GLN  32          1HE2      GLN  32   0.404   1.732  -3.557
  219   HE22  GLN  32          2HE2      GLN  32   1.350   2.119  -4.949
  220    H    GLN  33           H        GLN  33   4.238   1.469   1.960
  221    HA   GLN  33           HA       GLN  33   5.068  -1.230   1.331
  222    HB2  GLN  33           1HB      GLN  33   6.190   0.831   3.235
  223    HB3  GLN  33           2HB      GLN  33   6.912  -0.747   2.947
  224    HG2  GLN  33           1HG      GLN  33   6.522   1.424   0.900
  225    HG3  GLN  33           2HG      GLN  33   8.042   0.983   1.677
  226   HE21  GLN  33          1HE2      GLN  33   6.994   0.936  -1.166
  227   HE22  GLN  33          2HE2      GLN  33   7.387  -0.649  -1.730
  228    H    SER  34           H        SER  34   2.521  -1.146   2.488
  229    HA   SER  34           HA       SER  34   3.044  -2.502   5.049
  230    HB2  SER  34           1HB      SER  34   2.028  -0.314   5.501
  231    HB3  SER  34           2HB      SER  34   0.692  -0.701   4.416
  232    HG   SER  34           HG       SER  34  -0.131  -2.031   5.872
  233    H    HIS  35           H        HIS  35   1.113  -2.263   2.136
  234    HA   HIS  35           HA       HIS  35  -0.490  -4.577   2.768
  235    HB2  HIS  35           1HB      HIS  35  -0.232  -3.291   0.055
  236    HB3  HIS  35           2HB      HIS  35  -1.592  -4.201   0.705
  237    HD1  HIS  35           HD1      HIS  35  -2.324  -2.830   3.208
  238    HD2  HIS  35           HD2      HIS  35  -1.009  -0.718  -0.119
  239    HE1  HIS  35           HE1      HIS  35  -3.193  -0.490   3.510
  240    H    THR  36           H        THR  36   2.142  -5.279   2.981
  241    HA   THR  36           HA       THR  36   3.501  -6.244   0.800
  242    HB   THR  36           HB       THR  36   4.421  -8.011   2.311
  243    HG1  THR  36           HG1      THR  36   2.384  -6.989   4.000
  244   HG21  THR  36          3HG2      THR  36   4.936  -6.099   4.189
  245   HG22  THR  36          1HG2      THR  36   4.424  -5.120   2.815
  246   HG23  THR  36          2HG2      THR  36   5.773  -6.243   2.644
  247    H    GLY  37           H        GLY  37   0.985  -7.943   2.664
  248    HA2  GLY  37           1HA      GLY  37   0.977 -10.368   1.354
  249    HA3  GLY  37           2HA      GLY  37  -0.458  -9.620   2.041
  250    H    GLU  38           H        GLU  38   0.373 -11.121  -0.579
  251    HA   GLU  38           HA       GLU  38  -1.047  -9.273  -2.383
  252    HB2  GLU  38           1HB      GLU  38   1.478  -9.953  -2.795
  253    HB3  GLU  38           2HB      GLU  38   0.744 -11.401  -3.469
  254    HG2  GLU  38           1HG      GLU  38  -0.698  -9.738  -4.830
  255    HG3  GLU  38           2HG      GLU  38   0.561  -8.576  -4.415
  256    H    ARG  39           H        ARG  39  -2.517 -10.189  -3.873
  257    HA   ARG  39           HA       ARG  39  -3.846 -12.545  -2.858
  258    HB2  ARG  39           1HB      ARG  39  -4.515 -10.741  -5.191
  259    HB3  ARG  39           2HB      ARG  39  -5.542 -12.036  -4.589
  260    HG2  ARG  39           1HG      ARG  39  -5.418 -10.780  -2.339
  261    HG3  ARG  39           2HG      ARG  39  -4.869  -9.417  -3.316
  262    HD2  ARG  39           1HD      ARG  39  -7.391 -10.952  -3.901
  263    HD3  ARG  39           2HD      ARG  39  -7.352  -9.530  -2.860
  264    HE   ARG  39           HE       ARG  39  -7.252  -9.571  -5.713
  265   HH11  ARG  39          1HH1      ARG  39  -6.211  -7.822  -2.889
  266   HH12  ARG  39          2HH1      ARG  39  -6.077  -6.306  -3.717
  267   HH21  ARG  39          1HH2      ARG  39  -7.079  -7.582  -6.814
  268   HH22  ARG  39          2HH2      ARG  39  -6.572  -6.170  -5.950
  269    H    HIS  40           H        HIS  40  -2.690 -11.571  -6.093
  270    HA   HIS  40           HA       HIS  40  -2.712 -14.317  -6.991
  271    HB2  HIS  40           1HB      HIS  40  -1.913 -11.727  -8.323
  272    HB3  HIS  40           2HB      HIS  40  -1.782 -13.295  -9.115
  273    HD2  HIS  40           HD2      HIS  40  -4.669 -11.039  -7.632
  274    HE1  HIS  40           HE1      HIS  40  -6.248 -13.573 -10.647
  275    HE2  HIS  40           HE2      HIS  40  -6.714 -11.642  -9.098
  276    H    SER  41           H        SER  41  -0.669 -14.954  -8.360
  277    HA   SER  41           HA       SER  41   1.868 -14.098  -7.380
  278    HB2  SER  41           1HB      SER  41   2.521 -16.042  -6.131
  279    HB3  SER  41           2HB      SER  41   0.996 -15.474  -5.453
  280    HG   SER  41           HG       SER  41   0.964 -17.725  -5.767
  281    H    GLY  42           H        GLY  42   3.508 -14.751  -8.703
  282    HA2  GLY  42           1HA      GLY  42   3.739 -17.034 -10.209
  283    HA3  GLY  42           2HA      GLY  42   2.771 -15.950 -11.197
  284    HA   PRO  43           HA       PRO  43   7.393 -15.176 -11.761
  285    HB2  PRO  43           1HB      PRO  43   7.534 -15.934 -14.363
  286    HB3  PRO  43           2HB      PRO  43   7.787 -17.056 -13.021
  287    HG2  PRO  43           1HG      PRO  43   5.338 -16.613 -14.685
  288    HG3  PRO  43           2HG      PRO  43   6.055 -18.138 -14.134
  289    HD2  PRO  43           1HD      PRO  43   3.915 -17.012 -12.916
  290    HD3  PRO  43           2HD      PRO  43   5.127 -17.962 -12.031
  291    H    SER  44           H        SER  44   6.910 -12.966 -11.609
  292    HA   SER  44           HA       SER  44   5.352 -11.416 -13.247
  293    HB2  SER  44           1HB      SER  44   6.553  -9.530 -12.460
  294    HB3  SER  44           2HB      SER  44   6.670 -10.721 -11.164
  295    HG   SER  44           HG       SER  44   8.693  -9.759 -11.633
  296    H    SER  45           H        SER  45   5.715 -10.154 -15.099
  297    HA   SER  45           HA       SER  45   7.178 -11.430 -17.150
  298    HB2  SER  45           1HB      SER  45   5.119 -10.005 -17.460
  299    HB3  SER  45           2HB      SER  45   6.138  -8.590 -17.193
  300    HG   SER  45           HG       SER  45   6.991 -10.435 -19.095
  301    H    GLY  46           H        GLY  46   7.751  -8.413 -15.357
  302    HA2  GLY  46           1HA      GLY  46  10.313  -8.030 -16.665
  303    HA3  GLY  46           2HA      GLY  46   9.592  -6.984 -15.450
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -14.884  14.872 -23.122
    2    HA2  GLY   1           1HA      GLY   1 -15.849  12.921 -21.510
    3    HA3  GLY   1           2HA      GLY   1 -14.414  12.177 -22.198
    4    H    SER   2           H        SER   2 -15.642  14.544 -19.993
    5    HA   SER   2           HA       SER   2 -12.898  15.000 -19.019
    6    HB2  SER   2           1HB      SER   2 -13.539  17.088 -19.927
    7    HB3  SER   2           2HB      SER   2 -15.180  16.952 -19.295
    8    HG   SER   2           HG       SER   2 -12.819  17.266 -17.746
    9    H    SER   3           H        SER   3 -13.004  13.404 -17.455
   10    HA   SER   3           HA       SER   3 -14.824  13.986 -15.217
   11    HB2  SER   3           1HB      SER   3 -14.974  11.530 -14.796
   12    HB3  SER   3           2HB      SER   3 -15.704  12.018 -16.325
   13    HG   SER   3           HG       SER   3 -14.325  10.798 -17.322
   14    H    GLY   4           H        GLY   4 -12.235  14.979 -15.420
   15    HA2  GLY   4           1HA      GLY   4 -11.116  14.469 -12.981
   16    HA3  GLY   4           2HA      GLY   4 -10.382  13.272 -14.038
   17    H    SER   5           H        SER   5 -10.708  16.692 -13.358
   18    HA   SER   5           HA       SER   5  -8.637  17.335 -15.319
   19    HB2  SER   5           1HB      SER   5 -10.685  18.750 -15.190
   20    HB3  SER   5           2HB      SER   5 -10.228  19.206 -13.549
   21    HG   SER   5           HG       SER   5  -9.521  20.444 -15.676
   22    H    SER   6           H        SER   6  -6.854  18.763 -14.663
   23    HA   SER   6           HA       SER   6  -5.674  17.802 -12.195
   24    HB2  SER   6           1HB      SER   6  -4.223  17.802 -14.105
   25    HB3  SER   6           2HB      SER   6  -4.596  19.489 -14.461
   26    HG   SER   6           HG       SER   6  -3.554  18.932 -11.943
   27    H    GLY   7           H        GLY   7  -6.178  18.817 -10.366
   28    HA2  GLY   7           1HA      GLY   7  -5.445  21.071  -9.325
   29    HA3  GLY   7           2HA      GLY   7  -6.642  21.721 -10.436
   30    H    THR   8           H        THR   8  -7.264  22.461  -8.100
   31    HA   THR   8           HA       THR   8  -8.706  22.359  -6.333
   32    HB   THR   8           HB       THR   8 -10.434  20.448  -7.851
   33    HG1  THR   8           HG1      THR   8 -10.202  21.698  -9.553
   34   HG21  THR   8          3HG2      THR   8 -12.122  22.257  -7.132
   35   HG22  THR   8          1HG2      THR   8 -10.829  22.846  -6.088
   36   HG23  THR   8          2HG2      THR   8 -11.448  21.207  -5.885
   37    H    GLY   9           H        GLY   9  -6.656  20.712  -5.829
   38    HA2  GLY   9           1HA      GLY   9  -7.935  18.616  -4.271
   39    HA3  GLY   9           2HA      GLY   9  -6.795  18.065  -5.489
   40    H    GLU  10           H        GLU  10  -6.924  18.255  -2.388
   41    HA   GLU  10           HA       GLU  10  -4.362  19.623  -1.964
   42    HB2  GLU  10           1HB      GLU  10  -6.472  18.678  -0.020
   43    HB3  GLU  10           2HB      GLU  10  -4.923  19.351   0.471
   44    HG2  GLU  10           1HG      GLU  10  -5.575  21.389  -0.928
   45    HG3  GLU  10           2HG      GLU  10  -7.204  20.714  -0.911
   46    H    LYS  11           H        LYS  11  -5.949  16.510  -1.731
   47    HA   LYS  11           HA       LYS  11  -3.374  15.293  -0.975
   48    HB2  LYS  11           1HB      LYS  11  -6.183  14.274  -0.517
   49    HB3  LYS  11           2HB      LYS  11  -4.719  13.378  -0.134
   50    HG2  LYS  11           1HG      LYS  11  -4.122  14.878   1.576
   51    HG3  LYS  11           2HG      LYS  11  -5.294  16.083   1.035
   52    HD2  LYS  11           1HD      LYS  11  -5.994  13.366   2.148
   53    HD3  LYS  11           2HD      LYS  11  -6.018  14.872   3.068
   54    HE2  LYS  11           1HE      LYS  11  -7.581  15.683   1.138
   55    HE3  LYS  11           2HE      LYS  11  -7.820  13.958   0.866
   56    HZ1  LYS  11           3HZ      LYS  11  -9.407  15.185   2.439
   57    HZ2  LYS  11           1HZ      LYS  11  -8.142  15.111   3.561
   58    HZ3  LYS  11           2HZ      LYS  11  -8.797  13.685   2.930
   59    HA   PRO  12           HA       PRO  12  -4.228  14.004  -5.336
   60    HB2  PRO  12           1HB      PRO  12  -1.646  14.236  -6.144
   61    HB3  PRO  12           2HB      PRO  12  -2.777  15.595  -6.139
   62    HG2  PRO  12           1HG      PRO  12  -0.672  14.875  -4.136
   63    HG3  PRO  12           2HG      PRO  12  -1.090  16.466  -4.797
   64    HD2  PRO  12           1HD      PRO  12  -1.929  15.635  -2.360
   65    HD3  PRO  12           2HD      PRO  12  -2.893  16.720  -3.383
   66    H    TYR  13           H        TYR  13  -2.167  12.951  -2.781
   67    HA   TYR  13           HA       TYR  13  -1.501  10.461  -4.166
   68    HB2  TYR  13           1HB      TYR  13  -0.634  11.185  -1.378
   69    HB3  TYR  13           2HB      TYR  13   0.141  10.094  -2.522
   70    HD1  TYR  13           HD1      TYR  13   0.531  11.534  -4.917
   71    HD2  TYR  13           HD2      TYR  13   0.694  13.010  -0.930
   72    HE1  TYR  13           HE1      TYR  13   2.009  13.354  -5.658
   73    HE2  TYR  13           HE2      TYR  13   2.172  14.836  -1.660
   74    HH   TYR  13           HH       TYR  13   3.752  14.857  -4.598
   75    H    LYS  14           H        LYS  14  -2.811   8.784  -3.969
   76    HA   LYS  14           HA       LYS  14  -4.094   8.259  -1.390
   77    HB2  LYS  14           1HB      LYS  14  -5.637   9.475  -3.075
   78    HB3  LYS  14           2HB      LYS  14  -5.659   7.943  -3.938
   79    HG2  LYS  14           1HG      LYS  14  -6.311   6.991  -1.579
   80    HG3  LYS  14           2HG      LYS  14  -6.831   8.655  -1.299
   81    HD2  LYS  14           1HD      LYS  14  -8.190   8.519  -3.377
   82    HD3  LYS  14           2HD      LYS  14  -7.749   6.815  -3.508
   83    HE2  LYS  14           1HE      LYS  14  -9.762   6.646  -2.424
   84    HE3  LYS  14           2HE      LYS  14  -8.660   6.717  -1.049
   85    HZ1  LYS  14           3HZ      LYS  14 -10.775   8.438  -1.650
   86    HZ2  LYS  14           1HZ      LYS  14  -9.346   9.334  -1.784
   87    HZ3  LYS  14           2HZ      LYS  14  -9.702   8.521  -0.345
   88    H    CYS  15           H        CYS  15  -4.171   6.142  -0.846
   89    HA   CYS  15           HA       CYS  15  -2.692   4.288  -2.465
   90    HB2  CYS  15           1HB      CYS  15  -2.547   4.326   0.016
   91    HB3  CYS  15           2HB      CYS  15  -4.221   3.788   0.097
   92    H    SER  16           H        SER  16  -3.566   3.269  -4.135
   93    HA   SER  16           HA       SER  16  -6.425   2.897  -4.337
   94    HB2  SER  16           1HB      SER  16  -5.896   1.944  -6.566
   95    HB3  SER  16           2HB      SER  16  -5.176   3.537  -6.332
   96    HG   SER  16           HG       SER  16  -3.930   1.008  -6.328
   97    H    ASP  17           H        ASP  17  -5.472   1.514  -2.160
   98    HA   ASP  17           HA       ASP  17  -5.916  -1.264  -3.008
   99    HB2  ASP  17           1HB      ASP  17  -3.897  -0.358  -0.943
  100    HB3  ASP  17           2HB      ASP  17  -4.302  -2.034  -1.304
  101    H    CYS  18           H        CYS  18  -5.935   1.051  -0.325
  102    HA   CYS  18           HA       CYS  18  -8.113  -0.511   0.902
  103    HB2  CYS  18           1HB      CYS  18  -7.412   0.615   3.051
  104    HB3  CYS  18           2HB      CYS  18  -6.252  -0.537   2.396
  105    H    GLY  19           H        GLY  19  -6.850   2.796   0.506
  106    HA2  GLY  19           1HA      GLY  19  -8.498   4.377  -0.512
  107    HA3  GLY  19           2HA      GLY  19  -9.640   3.757   0.671
  108    H    LYS  20           H        LYS  20  -6.302   5.017   0.727
  109    HA   LYS  20           HA       LYS  20  -7.150   6.867   2.855
  110    HB2  LYS  20           1HB      LYS  20  -4.864   4.963   2.783
  111    HB3  LYS  20           2HB      LYS  20  -4.586   6.533   3.526
  112    HG2  LYS  20           1HG      LYS  20  -6.098   6.140   5.232
  113    HG3  LYS  20           2HG      LYS  20  -6.950   4.889   4.324
  114    HD2  LYS  20           1HD      LYS  20  -5.008   3.411   4.550
  115    HD3  LYS  20           2HD      LYS  20  -4.163   4.663   5.464
  116    HE2  LYS  20           1HE      LYS  20  -5.548   4.429   7.307
  117    HE3  LYS  20           2HE      LYS  20  -6.848   3.702   6.365
  118    HZ1  LYS  20           3HZ      LYS  20  -4.739   2.433   7.763
  119    HZ2  LYS  20           1HZ      LYS  20  -4.685   2.002   6.128
  120    HZ3  LYS  20           2HZ      LYS  20  -6.095   1.741   7.025
  121    H    ALA  21           H        ALA  21  -6.598   8.943   2.571
  122    HA   ALA  21           HA       ALA  21  -4.872   9.586   0.277
  123    HB1  ALA  21           3HB      ALA  21  -7.080  11.147   1.598
  124    HB2  ALA  21           1HB      ALA  21  -5.993  11.832   0.391
  125    HB3  ALA  21           2HB      ALA  21  -7.048  10.484  -0.036
  126    H    PHE  22           H        PHE  22  -3.227  11.100   0.466
  127    HA   PHE  22           HA       PHE  22  -2.615  12.076   3.166
  128    HB2  PHE  22           1HB      PHE  22  -0.590  10.799   1.317
  129    HB3  PHE  22           2HB      PHE  22  -0.270  11.459   2.917
  130    HD1  PHE  22           HD1      PHE  22  -2.428   8.924   1.242
  131    HD2  PHE  22           HD2      PHE  22  -0.224  10.025   4.712
  132    HE1  PHE  22           HE1      PHE  22  -2.905   6.725   2.237
  133    HE2  PHE  22           HE2      PHE  22  -0.696   7.827   5.713
  134    HZ   PHE  22           HZ       PHE  22  -2.038   6.174   4.476
  135    H    THR  23           H        THR  23  -0.642  13.641   3.003
  136    HA   THR  23           HA       THR  23  -0.971  15.320   0.603
  137    HB   THR  23           HB       THR  23  -0.340  16.595   3.229
  138    HG1  THR  23           HG1      THR  23  -2.821  16.863   3.216
  139   HG21  THR  23          3HG2      THR  23  -0.258  18.118   1.470
  140   HG22  THR  23          1HG2      THR  23  -1.888  18.341   2.104
  141   HG23  THR  23          2HG2      THR  23  -1.633  17.387   0.643
  142    H    ARG  24           H        ARG  24   1.098  13.312   1.784
  143    HA   ARG  24           HA       ARG  24   3.416  14.927   1.029
  144    HB2  ARG  24           1HB      ARG  24   2.979  13.596   3.659
  145    HB3  ARG  24           2HB      ARG  24   4.597  13.551   2.974
  146    HG2  ARG  24           1HG      ARG  24   4.694  15.952   2.910
  147    HG3  ARG  24           2HG      ARG  24   3.013  16.068   3.435
  148    HD2  ARG  24           1HD      ARG  24   5.130  14.701   5.075
  149    HD3  ARG  24           2HD      ARG  24   4.799  16.428   5.207
  150    HE   ARG  24           HE       ARG  24   3.226  14.287   6.266
  151   HH11  ARG  24          1HH1      ARG  24   3.108  17.546   5.048
  152   HH12  ARG  24          2HH1      ARG  24   1.672  17.961   5.924
  153   HH21  ARG  24          1HH2      ARG  24   1.335  14.821   7.425
  154   HH22  ARG  24          2HH2      ARG  24   0.665  16.410   7.277
  155    H    LYS  25           H        LYS  25   4.739  13.879  -0.317
  156    HA   LYS  25           HA       LYS  25   4.144  11.523  -1.564
  157    HB2  LYS  25           1HB      LYS  25   6.656  13.075  -1.200
  158    HB3  LYS  25           2HB      LYS  25   6.799  11.447  -1.851
  159    HG2  LYS  25           1HG      LYS  25   4.875  13.413  -3.031
  160    HG3  LYS  25           2HG      LYS  25   6.581  13.416  -3.484
  161    HD2  LYS  25           1HD      LYS  25   6.116  10.825  -3.801
  162    HD3  LYS  25           2HD      LYS  25   4.465  11.402  -4.038
  163    HE2  LYS  25           1HE      LYS  25   6.835  12.527  -5.515
  164    HE3  LYS  25           2HE      LYS  25   5.871  11.183  -6.124
  165    HZ1  LYS  25           3HZ      LYS  25   4.917  13.029  -7.111
  166    HZ2  LYS  25           1HZ      LYS  25   5.076  13.996  -5.731
  167    HZ3  LYS  25           2HZ      LYS  25   3.908  12.773  -5.777
  168    H    SER  26           H        SER  26   6.227  11.953   1.273
  169    HA   SER  26           HA       SER  26   6.945   9.219   1.505
  170    HB2  SER  26           1HB      SER  26   7.618   9.882   3.847
  171    HB3  SER  26           2HB      SER  26   8.341  10.855   2.566
  172    HG   SER  26           HG       SER  26   7.599  12.339   3.956
  173    H    GLY  27           H        GLY  27   4.542  11.214   3.217
  174    HA2  GLY  27           1HA      GLY  27   3.502   9.510   5.036
  175    HA3  GLY  27           2HA      GLY  27   2.489  10.583   4.081
  176    H    LEU  28           H        LEU  28   2.876   9.374   1.557
  177    HA   LEU  28           HA       LEU  28   1.117   7.089   1.879
  178    HB2  LEU  28           1HB      LEU  28   0.432   8.592   0.206
  179    HB3  LEU  28           2HB      LEU  28   2.053   8.696  -0.477
  180    HG   LEU  28           HG       LEU  28   1.807   6.334  -1.242
  181   HD11  LEU  28          1HD1      LEU  28  -0.040   5.091  -0.890
  182   HD12  LEU  28          2HD1      LEU  28  -1.124   6.480  -0.958
  183   HD13  LEU  28          3HD1      LEU  28  -0.215   6.142   0.515
  184   HD21  LEU  28          3HD2      LEU  28  -0.415   8.039  -2.324
  185   HD22  LEU  28          1HD2      LEU  28   0.619   6.896  -3.181
  186   HD23  LEU  28          2HD2      LEU  28   1.282   8.427  -2.607
  187    H    HIS  29           H        HIS  29   4.206   7.775   0.242
  188    HA   HIS  29           HA       HIS  29   4.845   5.329  -0.761
  189    HB2  HIS  29           1HB      HIS  29   6.469   7.543   0.390
  190    HB3  HIS  29           2HB      HIS  29   7.283   6.012   0.081
  191    HD2  HIS  29           HD2      HIS  29   5.307   5.676  -2.783
  192    HE1  HIS  29           HE1      HIS  29   7.881   8.821  -3.998
  193    HE2  HIS  29           HE2      HIS  29   6.195   7.106  -4.746
  194    H    ILE  30           H        ILE  30   5.335   6.397   2.588
  195    HA   ILE  30           HA       ILE  30   6.576   4.067   3.531
  196    HB   ILE  30           HB       ILE  30   4.825   6.001   5.053
  197   HG12  ILE  30          1HG1      ILE  30   7.830   5.939   5.057
  198   HG13  ILE  30          2HG1      ILE  30   6.953   6.817   3.809
  199   HG21  ILE  30          1HG2      ILE  30   6.829   3.982   6.051
  200   HG22  ILE  30          2HG2      ILE  30   5.995   5.176   7.044
  201   HG23  ILE  30          3HG2      ILE  30   5.078   3.898   6.245
  202   HD11  ILE  30          3HD1      ILE  30   6.505   8.508   5.178
  203   HD12  ILE  30          1HD1      ILE  30   6.020   7.433   6.490
  204   HD13  ILE  30          2HD1      ILE  30   7.725   7.809   6.242
  205    H    HIS  31           H        HIS  31   3.150   5.018   3.556
  206    HA   HIS  31           HA       HIS  31   2.167   2.724   4.836
  207    HB2  HIS  31           1HB      HIS  31   0.705   4.574   4.706
  208    HB3  HIS  31           2HB      HIS  31   0.907   4.717   2.962
  209    HD1  HIS  31           HD1      HIS  31  -0.670   2.387   5.504
  210    HD2  HIS  31           HD2      HIS  31  -0.992   3.427   1.495
  211    HE1  HIS  31           HE1      HIS  31  -2.706   1.177   4.656
  212    H    GLN  32           H        GLN  32   2.221   3.502   1.354
  213    HA   GLN  32           HA       GLN  32   1.157   1.281   0.252
  214    HB2  GLN  32           1HB      GLN  32   3.568   2.861  -0.615
  215    HB3  GLN  32           2HB      GLN  32   2.923   1.548  -1.589
  216    HG2  GLN  32           1HG      GLN  32   0.672   2.898  -1.246
  217    HG3  GLN  32           2HG      GLN  32   1.804   4.233  -1.038
  218   HE21  GLN  32          1HE2      GLN  32   0.520   1.873  -3.234
  219   HE22  GLN  32          2HE2      GLN  32   1.167   2.564  -4.679
  220    H    GLN  33           H        GLN  33   4.180   1.471   1.952
  221    HA   GLN  33           HA       GLN  33   5.110  -1.112   1.066
  222    HB2  GLN  33           1HB      GLN  33   6.094   0.812   3.172
  223    HB3  GLN  33           2HB      GLN  33   6.859  -0.740   2.860
  224    HG2  GLN  33           1HG      GLN  33   6.443   1.194   0.626
  225    HG3  GLN  33           2HG      GLN  33   7.785   1.408   1.748
  226   HE21  GLN  33          1HE2      GLN  33   7.024   0.209  -1.156
  227   HE22  GLN  33          2HE2      GLN  33   8.201  -1.048  -1.297
  228    H    SER  34           H        SER  34   2.549  -1.316   2.113
  229    HA   SER  34           HA       SER  34   3.056  -2.911   4.534
  230    HB2  SER  34           1HB      SER  34   0.867  -0.916   4.020
  231    HB3  SER  34           2HB      SER  34   0.612  -2.256   5.138
  232    HG   SER  34           HG       SER  34   2.461  -1.522   6.290
  233    H    HIS  35           H        HIS  35   0.953  -2.361   1.741
  234    HA   HIS  35           HA       HIS  35  -0.383  -4.889   2.013
  235    HB2  HIS  35           1HB      HIS  35  -0.327  -3.131  -0.440
  236    HB3  HIS  35           2HB      HIS  35  -1.556  -4.307   0.016
  237    HD1  HIS  35           HD1      HIS  35  -2.553  -3.582   2.625
  238    HD2  HIS  35           HD2      HIS  35  -1.259  -0.645  -0.013
  239    HE1  HIS  35           HE1      HIS  35  -3.654  -1.456   3.394
  240    H    THR  36           H        THR  36   2.242  -3.596   0.046
  241    HA   THR  36           HA       THR  36   2.616  -5.496  -1.858
  242    HB   THR  36           HB       THR  36   4.767  -4.183  -0.187
  243    HG1  THR  36           HG1      THR  36   4.853  -2.806  -2.075
  244   HG21  THR  36          3HG2      THR  36   6.323  -4.746  -1.938
  245   HG22  THR  36          1HG2      THR  36   5.044  -5.495  -2.893
  246   HG23  THR  36          2HG2      THR  36   5.555  -6.229  -1.373
  247    H    GLY  37           H        GLY  37   2.316  -7.627  -1.548
  248    HA2  GLY  37           1HA      GLY  37   4.002  -9.474  -0.810
  249    HA3  GLY  37           2HA      GLY  37   3.542  -8.910   0.790
  250    H    GLU  38           H        GLU  38   2.687 -10.861  -1.894
  251    HA   GLU  38           HA       GLU  38   0.524 -12.040  -0.376
  252    HB2  GLU  38           1HB      GLU  38   0.078 -10.543  -2.941
  253    HB3  GLU  38           2HB      GLU  38  -0.958 -11.894  -2.504
  254    HG2  GLU  38           1HG      GLU  38  -1.351 -10.688  -0.306
  255    HG3  GLU  38           2HG      GLU  38  -0.596  -9.288  -1.066
  256    H    ARG  39           H        ARG  39   0.976 -14.132  -0.457
  257    HA   ARG  39           HA       ARG  39   2.743 -15.494  -1.944
  258    HB2  ARG  39           1HB      ARG  39   0.102 -16.318  -0.810
  259    HB3  ARG  39           2HB      ARG  39   1.001 -17.462  -1.797
  260    HG2  ARG  39           1HG      ARG  39   2.897 -17.310  -0.292
  261    HG3  ARG  39           2HG      ARG  39   2.047 -16.106   0.679
  262    HD2  ARG  39           1HD      ARG  39   0.213 -17.914   0.889
  263    HD3  ARG  39           2HD      ARG  39   1.475 -19.029   0.367
  264    HE   ARG  39           HE       ARG  39   2.602 -17.632   2.424
  265   HH11  ARG  39          1HH1      ARG  39  -0.276 -19.551   2.032
  266   HH12  ARG  39          2HH1      ARG  39  -0.306 -20.079   3.682
  267   HH21  ARG  39          1HH2      ARG  39   2.574 -18.321   4.598
  268   HH22  ARG  39          2HH2      ARG  39   1.316 -19.379   5.140
  269    H    HIS  40           H        HIS  40   3.001 -16.232  -3.974
  270    HA   HIS  40           HA       HIS  40   1.705 -15.151  -6.135
  271    HB2  HIS  40           1HB      HIS  40   3.859 -16.416  -6.201
  272    HB3  HIS  40           2HB      HIS  40   2.938 -17.912  -6.075
  273    HD2  HIS  40           HD2      HIS  40   2.968 -14.873  -8.628
  274    HE1  HIS  40           HE1      HIS  40   2.262 -18.503 -10.708
  275    HE2  HIS  40           HE2      HIS  40   2.666 -16.026 -10.924
  276    H    SER  41           H        SER  41  -0.290 -15.313  -6.891
  277    HA   SER  41           HA       SER  41  -2.012 -17.471  -5.986
  278    HB2  SER  41           1HB      SER  41  -2.832 -15.136  -5.963
  279    HB3  SER  41           2HB      SER  41  -2.659 -15.071  -7.717
  280    HG   SER  41           HG       SER  41  -4.232 -17.049  -6.456
  281    H    GLY  42           H        GLY  42  -0.819 -16.140  -9.054
  282    HA2  GLY  42           1HA      GLY  42  -0.255 -17.407 -10.951
  283    HA3  GLY  42           2HA      GLY  42  -1.117 -18.776 -10.265
  284    HA   PRO  43           HA       PRO  43  -4.455 -15.863 -12.232
  285    HB2  PRO  43           1HB      PRO  43  -3.513 -13.892 -13.844
  286    HB3  PRO  43           2HB      PRO  43  -3.797 -13.665 -12.115
  287    HG2  PRO  43           1HG      PRO  43  -1.233 -14.218 -13.556
  288    HG3  PRO  43           2HG      PRO  43  -1.551 -13.076 -12.237
  289    HD2  PRO  43           1HD      PRO  43  -0.394 -15.490 -11.828
  290    HD3  PRO  43           2HD      PRO  43  -1.444 -14.718 -10.623
  291    H    SER  44           H        SER  44  -4.790 -17.762 -13.423
  292    HA   SER  44           HA       SER  44  -3.335 -18.242 -15.866
  293    HB2  SER  44           1HB      SER  44  -4.320 -20.020 -14.283
  294    HB3  SER  44           2HB      SER  44  -5.869 -19.650 -15.040
  295    HG   SER  44           HG       SER  44  -4.403 -19.979 -17.066
  296    H    SER  45           H        SER  45  -6.745 -17.559 -15.080
  297    HA   SER  45           HA       SER  45  -7.098 -16.590 -17.838
  298    HB2  SER  45           1HB      SER  45  -8.968 -17.887 -15.882
  299    HB3  SER  45           2HB      SER  45  -9.613 -16.842 -17.149
  300    HG   SER  45           HG       SER  45  -9.155 -19.308 -17.453
  301    H    GLY  46           H        GLY  46  -7.694 -14.528 -18.214
  302    HA2  GLY  46           1HA      GLY  46  -7.340 -12.552 -16.272
  303    HA3  GLY  46           2HA      GLY  46  -8.142 -12.313 -17.817
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -33.969  10.513   5.105
    2    HA2  GLY   1           1HA      GLY   1 -31.820   9.042   4.619
    3    HA3  GLY   1           2HA      GLY   1 -32.687   8.813   3.107
    4    H    SER   2           H        SER   2 -30.536  10.772   4.815
    5    HA   SER   2           HA       SER   2 -30.859  12.953   2.860
    6    HB2  SER   2           1HB      SER   2 -29.766  14.420   4.494
    7    HB3  SER   2           2HB      SER   2 -31.194  13.661   5.198
    8    HG   SER   2           HG       SER   2 -28.741  13.613   6.131
    9    H    SER   3           H        SER   3 -29.402  12.908   1.296
   10    HA   SER   3           HA       SER   3 -27.007  11.365   1.463
   11    HB2  SER   3           1HB      SER   3 -28.431  11.937  -0.629
   12    HB3  SER   3           2HB      SER   3 -27.516  13.444  -0.651
   13    HG   SER   3           HG       SER   3 -26.199  12.218  -1.783
   14    H    GLY   4           H        GLY   4 -27.506  14.867   0.953
   15    HA2  GLY   4           1HA      GLY   4 -26.236  16.676   1.570
   16    HA3  GLY   4           2HA      GLY   4 -25.637  15.681   2.889
   17    H    SER   5           H        SER   5 -25.024  16.901  -0.294
   18    HA   SER   5           HA       SER   5 -22.458  15.490  -0.417
   19    HB2  SER   5           1HB      SER   5 -23.624  15.301  -2.473
   20    HB3  SER   5           2HB      SER   5 -24.066  17.009  -2.469
   21    HG   SER   5           HG       SER   5 -21.473  15.911  -2.824
   22    H    SER   6           H        SER   6 -20.772  16.484   0.449
   23    HA   SER   6           HA       SER   6 -20.315  19.303  -0.114
   24    HB2  SER   6           1HB      SER   6 -20.726  18.177   2.641
   25    HB3  SER   6           2HB      SER   6 -19.666  19.565   2.397
   26    HG   SER   6           HG       SER   6 -21.420  20.705   2.390
   27    H    GLY   7           H        GLY   7 -18.103  19.947   0.941
   28    HA2  GLY   7           1HA      GLY   7 -15.883  19.336   1.485
   29    HA3  GLY   7           2HA      GLY   7 -16.238  17.690   0.982
   30    H    THR   8           H        THR   8 -15.030  20.755   0.040
   31    HA   THR   8           HA       THR   8 -14.729  19.821  -2.738
   32    HB   THR   8           HB       THR   8 -14.394  22.170  -3.371
   33    HG1  THR   8           HG1      THR   8 -14.480  22.496  -0.597
   34   HG21  THR   8          3HG2      THR   8 -16.855  22.641  -1.967
   35   HG22  THR   8          1HG2      THR   8 -16.803  20.976  -2.545
   36   HG23  THR   8          2HG2      THR   8 -16.597  22.311  -3.679
   37    H    GLY   9           H        GLY   9 -12.785  18.970  -3.094
   38    HA2  GLY   9           1HA      GLY   9 -10.425  19.694  -3.458
   39    HA3  GLY   9           2HA      GLY   9 -10.458  20.242  -1.789
   40    H    GLU  10           H        GLU  10  -8.917  18.121  -3.402
   41    HA   GLU  10           HA       GLU  10  -9.230  15.994  -1.393
   42    HB2  GLU  10           1HB      GLU  10  -8.864  14.294  -3.054
   43    HB3  GLU  10           2HB      GLU  10 -10.195  15.312  -3.586
   44    HG2  GLU  10           1HG      GLU  10  -8.625  16.531  -5.053
   45    HG3  GLU  10           2HG      GLU  10  -7.356  15.405  -4.575
   46    H    LYS  11           H        LYS  11  -7.269  14.594  -1.230
   47    HA   LYS  11           HA       LYS  11  -4.951  16.241  -0.923
   48    HB2  LYS  11           1HB      LYS  11  -5.038  13.235  -0.705
   49    HB3  LYS  11           2HB      LYS  11  -3.925  14.345   0.084
   50    HG2  LYS  11           1HG      LYS  11  -6.827  14.608   0.665
   51    HG3  LYS  11           2HG      LYS  11  -5.940  13.260   1.379
   52    HD2  LYS  11           1HD      LYS  11  -4.743  15.976   1.563
   53    HD3  LYS  11           2HD      LYS  11  -6.131  15.610   2.591
   54    HE2  LYS  11           1HE      LYS  11  -4.801  13.465   3.187
   55    HE3  LYS  11           2HE      LYS  11  -3.415  14.348   2.552
   56    HZ1  LYS  11           3HZ      LYS  11  -4.918  15.967   4.335
   57    HZ2  LYS  11           1HZ      LYS  11  -3.286  15.525   4.410
   58    HZ3  LYS  11           2HZ      LYS  11  -4.466  14.522   5.090
   59    HA   PRO  12           HA       PRO  12  -2.993  15.599  -4.809
   60    HB2  PRO  12           1HB      PRO  12  -0.402  15.944  -4.075
   61    HB3  PRO  12           2HB      PRO  12  -1.552  17.281  -4.198
   62    HG2  PRO  12           1HG      PRO  12  -0.633  15.791  -1.770
   63    HG3  PRO  12           2HG      PRO  12  -0.871  17.535  -1.989
   64    HD2  PRO  12           1HD      PRO  12  -2.686  15.962  -0.738
   65    HD3  PRO  12           2HD      PRO  12  -3.151  17.389  -1.687
   66    H    TYR  13           H        TYR  13  -2.695  13.481  -2.213
   67    HA   TYR  13           HA       TYR  13  -1.571  11.428  -3.958
   68    HB2  TYR  13           1HB      TYR  13  -0.517  11.867  -1.159
   69    HB3  TYR  13           2HB      TYR  13   0.039  10.673  -2.327
   70    HD1  TYR  13           HD1      TYR  13   1.168  11.494  -4.443
   71    HD2  TYR  13           HD2      TYR  13   0.407  14.029  -1.112
   72    HE1  TYR  13           HE1      TYR  13   2.847  13.086  -5.279
   73    HE2  TYR  13           HE2      TYR  13   2.083  15.628  -1.939
   74    HH   TYR  13           HH       TYR  13   3.861  15.031  -4.957
   75    H    LYS  14           H        LYS  14  -2.106   9.291  -3.347
   76    HA   LYS  14           HA       LYS  14  -3.520   8.604  -1.013
   77    HB2  LYS  14           1HB      LYS  14  -5.272  10.014  -2.048
   78    HB3  LYS  14           2HB      LYS  14  -5.254   8.970  -3.464
   79    HG2  LYS  14           1HG      LYS  14  -5.722   7.110  -1.637
   80    HG3  LYS  14           2HG      LYS  14  -6.382   8.496  -0.764
   81    HD2  LYS  14           1HD      LYS  14  -7.157   8.139  -3.612
   82    HD3  LYS  14           2HD      LYS  14  -7.863   7.047  -2.418
   83    HE2  LYS  14           1HE      LYS  14  -7.861   9.989  -1.906
   84    HE3  LYS  14           2HE      LYS  14  -9.043   9.305  -3.021
   85    HZ1  LYS  14           3HZ      LYS  14 -10.020   9.360  -0.877
   86    HZ2  LYS  14           1HZ      LYS  14  -8.673   8.632  -0.156
   87    HZ3  LYS  14           2HZ      LYS  14  -9.660   7.740  -1.201
   88    H    CYS  15           H        CYS  15  -4.045   6.388  -0.924
   89    HA   CYS  15           HA       CYS  15  -2.632   4.793  -2.908
   90    HB2  CYS  15           1HB      CYS  15  -2.031   4.090  -0.776
   91    HB3  CYS  15           2HB      CYS  15  -3.658   4.301  -0.137
   92    H    SER  16           H        SER  16  -3.589   2.816  -3.759
   93    HA   SER  16           HA       SER  16  -6.448   3.194  -4.329
   94    HB2  SER  16           1HB      SER  16  -4.225   1.870  -5.876
   95    HB3  SER  16           2HB      SER  16  -5.921   1.593  -6.268
   96    HG   SER  16           HG       SER  16  -5.057   3.307  -7.492
   97    H    ASP  17           H        ASP  17  -4.057   0.855  -3.258
   98    HA   ASP  17           HA       ASP  17  -5.409  -1.508  -3.282
   99    HB2  ASP  17           1HB      ASP  17  -3.134  -1.353  -2.456
  100    HB3  ASP  17           2HB      ASP  17  -3.667  -0.417  -1.063
  101    H    CYS  18           H        CYS  18  -5.512   0.804  -0.565
  102    HA   CYS  18           HA       CYS  18  -8.072  -0.403   0.245
  103    HB2  CYS  18           1HB      CYS  18  -7.611   0.569   2.482
  104    HB3  CYS  18           2HB      CYS  18  -6.378  -0.579   1.971
  105    H    GLY  19           H        GLY  19  -6.383   2.692  -0.156
  106    HA2  GLY  19           1HA      GLY  19  -7.624   4.451  -1.342
  107    HA3  GLY  19           2HA      GLY  19  -9.033   3.976  -0.407
  108    H    LYS  20           H        LYS  20  -5.659   4.647   0.510
  109    HA   LYS  20           HA       LYS  20  -6.677   6.457   2.585
  110    HB2  LYS  20           1HB      LYS  20  -5.056   4.444   3.010
  111    HB3  LYS  20           2HB      LYS  20  -3.825   5.551   2.416
  112    HG2  LYS  20           1HG      LYS  20  -4.094   7.009   4.204
  113    HG3  LYS  20           2HG      LYS  20  -5.686   6.365   4.614
  114    HD2  LYS  20           1HD      LYS  20  -3.195   4.694   4.807
  115    HD3  LYS  20           2HD      LYS  20  -3.730   5.729   6.133
  116    HE2  LYS  20           1HE      LYS  20  -6.017   4.502   5.742
  117    HE3  LYS  20           2HE      LYS  20  -4.991   3.273   5.004
  118    HZ1  LYS  20           3HZ      LYS  20  -4.380   4.334   7.688
  119    HZ2  LYS  20           1HZ      LYS  20  -3.911   2.864   6.995
  120    HZ3  LYS  20           2HZ      LYS  20  -5.512   3.094   7.488
  121    H    ALA  21           H        ALA  21  -6.636   8.552   2.145
  122    HA   ALA  21           HA       ALA  21  -4.907   9.584   0.052
  123    HB1  ALA  21           3HB      ALA  21  -6.327  11.354  -0.100
  124    HB2  ALA  21           1HB      ALA  21  -7.430  10.185   0.627
  125    HB3  ALA  21           2HB      ALA  21  -6.639  11.397   1.635
  126    H    PHE  22           H        PHE  22  -3.177  10.893   0.335
  127    HA   PHE  22           HA       PHE  22  -2.531  11.752   3.072
  128    HB2  PHE  22           1HB      PHE  22  -0.466  10.709   1.133
  129    HB3  PHE  22           2HB      PHE  22  -0.252  11.076   2.841
  130    HD1  PHE  22           HD2      PHE  22  -1.307   9.612   4.551
  131    HD2  PHE  22           HD1      PHE  22  -1.260   8.608   0.416
  132    HE1  PHE  22           HE2      PHE  22  -1.812   7.271   5.117
  133    HE2  PHE  22           HE1      PHE  22  -1.766   6.266   0.975
  134    HZ   PHE  22           HZ       PHE  22  -2.041   5.594   3.328
  135    H    THR  23           H        THR  23  -1.081  13.573   3.202
  136    HA   THR  23           HA       THR  23  -1.519  15.438   1.009
  137    HB   THR  23           HB       THR  23  -0.555  15.784   3.841
  138    HG1  THR  23           HG1      THR  23  -2.869  16.323   2.374
  139   HG21  THR  23          3HG2      THR  23   0.064  17.436   1.547
  140   HG22  THR  23          1HG2      THR  23   0.642  17.560   3.208
  141   HG23  THR  23          2HG2      THR  23  -0.879  18.323   2.744
  142    H    ARG  24           H        ARG  24   1.162  13.986   2.807
  143    HA   ARG  24           HA       ARG  24   3.114  15.295   1.091
  144    HB2  ARG  24           1HB      ARG  24   3.514  13.341   3.364
  145    HB3  ARG  24           2HB      ARG  24   4.786  14.231   2.538
  146    HG2  ARG  24           1HG      ARG  24   3.870  16.331   3.350
  147    HG3  ARG  24           2HG      ARG  24   2.553  15.462   4.141
  148    HD2  ARG  24           1HD      ARG  24   5.449  14.926   4.751
  149    HD3  ARG  24           2HD      ARG  24   4.512  16.152   5.604
  150    HE   ARG  24           HE       ARG  24   4.281  13.280   5.867
  151   HH11  ARG  24          1HH1      ARG  24   2.821  16.387   6.443
  152   HH12  ARG  24          2HH1      ARG  24   1.795  15.815   7.717
  153   HH21  ARG  24          1HH2      ARG  24   2.936  12.514   7.542
  154   HH22  ARG  24          2HH2      ARG  24   1.862  13.611   8.342
  155    H    LYS  25           H        LYS  25   5.013  13.747   0.434
  156    HA   LYS  25           HA       LYS  25   3.850  11.800  -1.354
  157    HB2  LYS  25           1HB      LYS  25   6.727  12.634  -0.936
  158    HB3  LYS  25           2HB      LYS  25   6.159  11.571  -2.217
  159    HG2  LYS  25           1HG      LYS  25   6.365  13.646  -3.245
  160    HG3  LYS  25           2HG      LYS  25   4.639  13.511  -2.901
  161    HD2  LYS  25           1HD      LYS  25   4.723  15.073  -1.200
  162    HD3  LYS  25           2HD      LYS  25   6.445  14.817  -0.910
  163    HE2  LYS  25           1HE      LYS  25   5.611  15.902  -3.549
  164    HE3  LYS  25           2HE      LYS  25   5.537  16.974  -2.151
  165    HZ1  LYS  25           3HZ      LYS  25   7.905  15.616  -3.289
  166    HZ2  LYS  25           1HZ      LYS  25   7.911  16.256  -1.723
  167    HZ3  LYS  25           2HZ      LYS  25   7.658  17.272  -3.051
  168    H    SER  26           H        SER  26   6.149  11.778   1.350
  169    HA   SER  26           HA       SER  26   6.756   9.055   1.329
  170    HB2  SER  26           1HB      SER  26   6.847  11.214   3.387
  171    HB3  SER  26           2HB      SER  26   7.023   9.546   3.930
  172    HG   SER  26           HG       SER  26   9.041  10.475   3.421
  173    H    GLY  27           H        GLY  27   4.266  10.786   3.202
  174    HA2  GLY  27           1HA      GLY  27   3.129   8.898   4.720
  175    HA3  GLY  27           2HA      GLY  27   2.149  10.028   3.797
  176    H    LEU  28           H        LEU  28   2.669   9.109   1.211
  177    HA   LEU  28           HA       LEU  28   0.943   6.807   1.156
  178    HB2  LEU  28           1HB      LEU  28   0.518   8.431  -0.494
  179    HB3  LEU  28           2HB      LEU  28   2.216   8.518  -0.957
  180    HG   LEU  28           HG       LEU  28   1.982   6.173  -1.846
  181   HD11  LEU  28          1HD1      LEU  28  -0.887   6.741  -1.174
  182   HD12  LEU  28          2HD1      LEU  28   0.084   5.325  -0.772
  183   HD13  LEU  28          3HD1      LEU  28  -0.432   5.596  -2.437
  184   HD21  LEU  28          3HD2      LEU  28   2.057   7.835  -3.471
  185   HD22  LEU  28          1HD2      LEU  28   0.507   8.521  -2.982
  186   HD23  LEU  28          2HD2      LEU  28   0.558   6.979  -3.837
  187    H    HIS  29           H        HIS  29   4.280   7.515   0.172
  188    HA   HIS  29           HA       HIS  29   4.967   5.070  -0.923
  189    HB2  HIS  29           1HB      HIS  29   6.640   7.015   0.672
  190    HB3  HIS  29           2HB      HIS  29   7.314   5.629  -0.181
  191    HD2  HIS  29           HD2      HIS  29   4.556   7.596  -2.053
  192    HE1  HIS  29           HE1      HIS  29   8.299   8.660  -3.743
  193    HE2  HIS  29           HE2      HIS  29   5.798   8.898  -3.912
  194    H    ILE  30           H        ILE  30   5.337   6.093   2.470
  195    HA   ILE  30           HA       ILE  30   6.287   3.612   3.411
  196    HB   ILE  30           HB       ILE  30   4.828   5.775   4.933
  197   HG12  ILE  30          1HG1      ILE  30   7.801   5.266   4.795
  198   HG13  ILE  30          2HG1      ILE  30   6.979   6.397   3.726
  199   HG21  ILE  30          1HG2      ILE  30   6.188   4.725   6.856
  200   HG22  ILE  30          2HG2      ILE  30   4.716   3.915   6.320
  201   HG23  ILE  30          3HG2      ILE  30   6.292   3.313   5.805
  202   HD11  ILE  30          3HD1      ILE  30   7.808   6.706   6.486
  203   HD12  ILE  30          1HD1      ILE  30   7.399   7.925   5.279
  204   HD13  ILE  30          2HD1      ILE  30   6.123   7.157   6.225
  205    H    HIS  31           H        HIS  31   3.031   4.999   3.263
  206    HA   HIS  31           HA       HIS  31   1.680   2.976   4.645
  207    HB2  HIS  31           1HB      HIS  31   0.391   4.874   4.299
  208    HB3  HIS  31           2HB      HIS  31   0.870   5.017   2.610
  209    HD1  HIS  31           HD1      HIS  31  -1.440   3.045   4.845
  210    HD2  HIS  31           HD2      HIS  31  -0.800   3.777   0.805
  211    HE1  HIS  31           HE1      HIS  31  -3.415   2.038   3.658
  212    H    GLN  32           H        GLN  32   2.618   3.245   1.260
  213    HA   GLN  32           HA       GLN  32   1.175   0.976   0.356
  214    HB2  GLN  32           1HB      GLN  32   3.390   2.657  -0.740
  215    HB3  GLN  32           2HB      GLN  32   3.029   1.119  -1.511
  216    HG2  GLN  32           1HG      GLN  32   0.598   1.977  -1.563
  217    HG3  GLN  32           2HG      GLN  32   1.321   3.559  -1.282
  218   HE21  GLN  32          1HE2      GLN  32   0.668   1.102  -3.552
  219   HE22  GLN  32          2HE2      GLN  32   1.414   1.845  -4.921
  220    H    GLN  33           H        GLN  33   4.431   1.450   1.612
  221    HA   GLN  33           HA       GLN  33   5.182  -1.298   1.128
  222    HB2  GLN  33           1HB      GLN  33   6.573   0.952   2.586
  223    HB3  GLN  33           2HB      GLN  33   7.263  -0.651   2.366
  224    HG2  GLN  33           1HG      GLN  33   6.467   1.210   0.139
  225    HG3  GLN  33           2HG      GLN  33   8.107   0.991   0.746
  226   HE21  GLN  33          1HE2      GLN  33   5.631  -0.233  -1.268
  227   HE22  GLN  33          2HE2      GLN  33   6.492  -1.598  -1.884
  228    H    SER  34           H        SER  34   2.861  -1.003   2.730
  229    HA   SER  34           HA       SER  34   3.830  -2.210   5.232
  230    HB2  SER  34           1HB      SER  34   2.389  -0.969   6.563
  231    HB3  SER  34           2HB      SER  34   2.848   0.225   5.349
  232    HG   SER  34           HG       SER  34   0.909  -0.242   4.253
  233    H    HIS  35           H        HIS  35   1.118  -1.856   2.980
  234    HA   HIS  35           HA       HIS  35  -0.686  -3.666   3.866
  235    HB2  HIS  35           1HB      HIS  35   0.264  -3.196   1.040
  236    HB3  HIS  35           2HB      HIS  35  -1.120  -4.216   1.421
  237    HD1  HIS  35           HD1      HIS  35  -2.549  -2.528   3.505
  238    HD2  HIS  35           HD2      HIS  35  -0.888  -0.957   0.036
  239    HE1  HIS  35           HE1      HIS  35  -3.772  -0.369   3.092
  240    H    THR  36           H        THR  36   2.429  -4.378   2.426
  241    HA   THR  36           HA       THR  36   2.285  -6.999   1.741
  242    HB   THR  36           HB       THR  36   4.638  -7.257   2.535
  243    HG1  THR  36           HG1      THR  36   4.087  -4.697   3.644
  244   HG21  THR  36          3HG2      THR  36   4.834  -4.633   1.301
  245   HG22  THR  36          1HG2      THR  36   3.644  -5.659   0.502
  246   HG23  THR  36          2HG2      THR  36   5.310  -6.211   0.675
  247    H    GLY  37           H        GLY  37   1.183  -8.544   2.782
  248    HA2  GLY  37           1HA      GLY  37   2.065  -9.319   5.436
  249    HA3  GLY  37           2HA      GLY  37   0.389  -8.801   5.331
  250    H    GLU  38           H        GLU  38  -0.910  -9.925   3.581
  251    HA   GLU  38           HA       GLU  38  -0.852 -12.706   4.055
  252    HB2  GLU  38           1HB      GLU  38  -2.928 -11.549   3.541
  253    HB3  GLU  38           2HB      GLU  38  -2.323 -11.114   1.949
  254    HG2  GLU  38           1HG      GLU  38  -3.678 -12.903   1.472
  255    HG3  GLU  38           2HG      GLU  38  -2.099 -13.673   1.613
  256    H    ARG  39           H        ARG  39  -0.321 -14.432   2.716
  257    HA   ARG  39           HA       ARG  39   1.987 -14.171   1.162
  258    HB2  ARG  39           1HB      ARG  39  -0.067 -16.367   1.363
  259    HB3  ARG  39           2HB      ARG  39   1.364 -16.511   0.352
  260    HG2  ARG  39           1HG      ARG  39   1.444 -15.961   3.309
  261    HG3  ARG  39           2HG      ARG  39   1.567 -17.569   2.593
  262    HD2  ARG  39           1HD      ARG  39   3.426 -15.264   2.020
  263    HD3  ARG  39           2HD      ARG  39   3.766 -16.585   3.136
  264    HE   ARG  39           HE       ARG  39   3.271 -17.918   0.880
  265   HH11  ARG  39          1HH1      ARG  39   5.247 -15.119   1.497
  266   HH12  ARG  39          2HH1      ARG  39   6.376 -15.476   0.232
  267   HH21  ARG  39          1HH2      ARG  39   4.750 -18.398  -0.789
  268   HH22  ARG  39          2HH2      ARG  39   6.092 -17.341  -1.068
  269    H    HIS  40           H        HIS  40   2.325 -14.448  -1.097
  270    HA   HIS  40           HA       HIS  40   1.901 -14.181  -3.324
  271    HB2  HIS  40           1HB      HIS  40  -0.210 -15.604  -2.607
  272    HB3  HIS  40           2HB      HIS  40  -1.056 -14.088  -2.903
  273    HD2  HIS  40           HD2      HIS  40  -2.272 -15.407  -5.135
  274    HE1  HIS  40           HE1      HIS  40   1.260 -15.329  -7.483
  275    HE2  HIS  40           HE2      HIS  40  -1.239 -15.639  -7.495
  276    H    SER  41           H        SER  41   2.405 -11.978  -1.716
  277    HA   SER  41           HA       SER  41   0.520  -9.880  -2.194
  278    HB2  SER  41           1HB      SER  41   2.193  -8.410  -1.222
  279    HB3  SER  41           2HB      SER  41   2.094  -9.888  -0.266
  280    HG   SER  41           HG       SER  41   4.050  -9.260  -2.226
  281    H    GLY  42           H        GLY  42   0.214  -8.835  -4.040
  282    HA2  GLY  42           1HA      GLY  42   1.129  -7.406  -5.768
  283    HA3  GLY  42           2HA      GLY  42   2.515  -8.484  -5.852
  284    HA   PRO  43           HA       PRO  43  -1.133 -10.858  -7.963
  285    HB2  PRO  43           1HB      PRO  43  -3.425  -9.460  -8.367
  286    HB3  PRO  43           2HB      PRO  43  -3.124 -10.411  -6.908
  287    HG2  PRO  43           1HG      PRO  43  -2.841  -7.462  -7.339
  288    HG3  PRO  43           2HG      PRO  43  -3.537  -8.329  -5.957
  289    HD2  PRO  43           1HD      PRO  43  -1.030  -7.305  -5.922
  290    HD3  PRO  43           2HD      PRO  43  -1.471  -8.781  -5.040
  291    H    SER  44           H        SER  44  -0.758  -7.410  -8.554
  292    HA   SER  44           HA       SER  44  -0.510  -7.994 -11.428
  293    HB2  SER  44           1HB      SER  44  -1.976  -5.701 -10.118
  294    HB3  SER  44           2HB      SER  44  -1.473  -5.664 -11.808
  295    HG   SER  44           HG       SER  44  -3.636  -6.434 -11.493
  296    H    SER  45           H        SER  45   1.460  -7.539 -12.121
  297    HA   SER  45           HA       SER  45   2.875  -5.232 -10.970
  298    HB2  SER  45           1HB      SER  45   3.718  -7.406 -10.021
  299    HB3  SER  45           2HB      SER  45   4.211  -7.860 -11.652
  300    HG   SER  45           HG       SER  45   5.982  -6.932 -10.776
  301    H    GLY  46           H        GLY  46   2.965  -3.819 -12.598
  302    HA2  GLY  46           1HA      GLY  46   4.595  -3.811 -14.703
  303    HA3  GLY  46           2HA      GLY  46   3.255  -4.751 -15.343
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -28.561  14.135 -10.546
    2    HA2  GLY   1           1HA      GLY   1 -25.889  14.541 -10.150
    3    HA3  GLY   1           2HA      GLY   1 -27.120  15.681  -9.629
    4    H    SER   2           H        SER   2 -24.974  15.773  -8.153
    5    HA   SER   2           HA       SER   2 -25.736  14.373  -5.685
    6    HB2  SER   2           1HB      SER   2 -22.943  14.642  -6.813
    7    HB3  SER   2           2HB      SER   2 -23.284  14.152  -5.153
    8    HG   SER   2           HG       SER   2 -23.675  12.767  -7.542
    9    H    SER   3           H        SER   3 -26.504  16.953  -6.343
   10    HA   SER   3           HA       SER   3 -26.529  19.094  -5.569
   11    HB2  SER   3           1HB      SER   3 -26.488  17.571  -3.399
   12    HB3  SER   3           2HB      SER   3 -24.908  18.323  -3.180
   13    HG   SER   3           HG       SER   3 -26.114  20.371  -3.529
   14    H    GLY   4           H        GLY   4 -24.507  18.578  -7.389
   15    HA2  GLY   4           1HA      GLY   4 -22.788  19.900  -8.244
   16    HA3  GLY   4           2HA      GLY   4 -22.635  20.673  -6.674
   17    H    SER   5           H        SER   5 -20.308  20.291  -7.593
   18    HA   SER   5           HA       SER   5 -19.083  17.817  -7.609
   19    HB2  SER   5           1HB      SER   5 -18.102  20.575  -6.950
   20    HB3  SER   5           2HB      SER   5 -17.025  19.191  -6.761
   21    HG   SER   5           HG       SER   5 -17.941  18.764  -9.063
   22    H    SER   6           H        SER   6 -18.013  16.561  -6.082
   23    HA   SER   6           HA       SER   6 -18.760  17.109  -3.283
   24    HB2  SER   6           1HB      SER   6 -18.496  14.484  -4.755
   25    HB3  SER   6           2HB      SER   6 -18.601  14.593  -2.998
   26    HG   SER   6           HG       SER   6 -20.668  14.861  -3.187
   27    H    GLY   7           H        GLY   7 -16.909  18.149  -2.628
   28    HA2  GLY   7           1HA      GLY   7 -14.877  17.148  -1.388
   29    HA3  GLY   7           2HA      GLY   7 -14.356  16.738  -3.016
   30    H    THR   8           H        THR   8 -14.322  19.078  -0.592
   31    HA   THR   8           HA       THR   8 -13.534  21.200  -2.467
   32    HB   THR   8           HB       THR   8 -15.266  21.900  -0.932
   33    HG1  THR   8           HG1      THR   8 -14.088  23.649   0.082
   34   HG21  THR   8          3HG2      THR   8 -13.946  21.959   1.566
   35   HG22  THR   8          1HG2      THR   8 -13.790  20.318   0.940
   36   HG23  THR   8          2HG2      THR   8 -15.387  21.046   1.121
   37    H    GLY   9           H        GLY   9 -11.446  20.255  -2.852
   38    HA2  GLY   9           1HA      GLY   9  -9.164  20.822  -2.435
   39    HA3  GLY   9           2HA      GLY   9  -9.543  20.947  -0.723
   40    H    GLU  10           H        GLU  10  -9.661  18.499  -3.316
   41    HA   GLU  10           HA       GLU  10  -9.284  16.340  -1.478
   42    HB2  GLU  10           1HB      GLU  10  -9.078  16.415  -4.494
   43    HB3  GLU  10           2HB      GLU  10  -9.075  14.952  -3.520
   44    HG2  GLU  10           1HG      GLU  10 -11.324  16.924  -3.822
   45    HG3  GLU  10           2HG      GLU  10 -11.259  15.275  -4.441
   46    H    LYS  11           H        LYS  11  -7.476  14.892  -1.428
   47    HA   LYS  11           HA       LYS  11  -4.957  16.297  -1.494
   48    HB2  LYS  11           1HB      LYS  11  -5.879  13.622  -0.516
   49    HB3  LYS  11           2HB      LYS  11  -4.159  13.908  -0.747
   50    HG2  LYS  11           1HG      LYS  11  -4.434  14.449   1.467
   51    HG3  LYS  11           2HG      LYS  11  -4.589  16.028   0.694
   52    HD2  LYS  11           1HD      LYS  11  -6.950  15.995   0.894
   53    HD3  LYS  11           2HD      LYS  11  -6.959  14.284   1.328
   54    HE2  LYS  11           1HE      LYS  11  -7.224  15.239   3.394
   55    HE3  LYS  11           2HE      LYS  11  -5.467  15.112   3.324
   56    HZ1  LYS  11           3HZ      LYS  11  -7.088  17.435   3.522
   57    HZ2  LYS  11           1HZ      LYS  11  -6.079  17.533   2.168
   58    HZ3  LYS  11           2HZ      LYS  11  -5.413  17.282   3.702
   59    HA   PRO  12           HA       PRO  12  -3.491  14.909  -5.396
   60    HB2  PRO  12           1HB      PRO  12  -0.821  14.823  -4.915
   61    HB3  PRO  12           2HB      PRO  12  -1.718  16.336  -5.089
   62    HG2  PRO  12           1HG      PRO  12  -0.846  14.928  -2.596
   63    HG3  PRO  12           2HG      PRO  12  -0.787  16.657  -2.983
   64    HD2  PRO  12           1HD      PRO  12  -2.722  15.578  -1.427
   65    HD3  PRO  12           2HD      PRO  12  -3.015  16.974  -2.484
   66    H    TYR  13           H        TYR  13  -2.099  13.241  -2.580
   67    HA   TYR  13           HA       TYR  13  -1.638  10.848  -4.175
   68    HB2  TYR  13           1HB      TYR  13  -1.110  11.188  -1.225
   69    HB3  TYR  13           2HB      TYR  13  -0.397  10.012  -2.322
   70    HD1  TYR  13           HD1      TYR  13   1.090  10.931  -4.216
   71    HD2  TYR  13           HD2      TYR  13  -0.016  13.202  -0.793
   72    HE1  TYR  13           HE1      TYR  13   2.984  12.448  -4.618
   73    HE2  TYR  13           HE2      TYR  13   1.874  14.726  -1.186
   74    HH   TYR  13           HH       TYR  13   4.179  14.528  -2.382
   75    H    LYS  14           H        LYS  14  -2.562   8.833  -3.720
   76    HA   LYS  14           HA       LYS  14  -4.512   8.463  -1.673
   77    HB2  LYS  14           1HB      LYS  14  -5.872   9.826  -3.168
   78    HB3  LYS  14           2HB      LYS  14  -5.491   8.765  -4.518
   79    HG2  LYS  14           1HG      LYS  14  -7.661   8.187  -3.814
   80    HG3  LYS  14           2HG      LYS  14  -6.598   6.909  -3.220
   81    HD2  LYS  14           1HD      LYS  14  -6.515   8.450  -1.079
   82    HD3  LYS  14           2HD      LYS  14  -8.055   9.030  -1.718
   83    HE2  LYS  14           1HE      LYS  14  -7.408   6.124  -1.253
   84    HE3  LYS  14           2HE      LYS  14  -8.238   7.146  -0.081
   85    HZ1  LYS  14           3HZ      LYS  14  -9.440   7.302  -2.662
   86    HZ2  LYS  14           1HZ      LYS  14 -10.142   6.919  -1.172
   87    HZ3  LYS  14           2HZ      LYS  14  -9.405   5.708  -2.095
   88    H    CYS  15           H        CYS  15  -4.099   6.439  -1.108
   89    HA   CYS  15           HA       CYS  15  -2.874   4.550  -2.838
   90    HB2  CYS  15           1HB      CYS  15  -2.415   4.359  -0.510
   91    HB3  CYS  15           2HB      CYS  15  -4.128   4.314  -0.105
   92    H    SER  16           H        SER  16  -3.703   2.817  -3.925
   93    HA   SER  16           HA       SER  16  -6.618   2.800  -4.259
   94    HB2  SER  16           1HB      SER  16  -5.569   3.084  -6.358
   95    HB3  SER  16           2HB      SER  16  -4.346   1.863  -6.006
   96    HG   SER  16           HG       SER  16  -6.818   1.570  -7.085
   97    H    ASP  17           H        ASP  17  -3.992   0.951  -3.038
   98    HA   ASP  17           HA       ASP  17  -4.956  -1.653  -3.246
   99    HB2  ASP  17           1HB      ASP  17  -2.698  -0.685  -2.295
  100    HB3  ASP  17           2HB      ASP  17  -3.548  -0.780  -0.754
  101    H    CYS  18           H        CYS  18  -5.346   0.617  -0.522
  102    HA   CYS  18           HA       CYS  18  -7.685  -0.961   0.330
  103    HB2  CYS  18           1HB      CYS  18  -7.274  -0.107   2.600
  104    HB3  CYS  18           2HB      CYS  18  -5.883  -0.992   1.984
  105    H    GLY  19           H        GLY  19  -6.374   2.338   0.134
  106    HA2  GLY  19           1HA      GLY  19  -7.868   3.978  -0.976
  107    HA3  GLY  19           2HA      GLY  19  -9.162   3.314   0.010
  108    H    LYS  20           H        LYS  20  -6.047   4.994   0.217
  109    HA   LYS  20           HA       LYS  20  -7.108   6.499   2.502
  110    HB2  LYS  20           1HB      LYS  20  -5.405   4.539   3.021
  111    HB3  LYS  20           2HB      LYS  20  -4.220   5.736   2.516
  112    HG2  LYS  20           1HG      LYS  20  -4.713   7.156   4.285
  113    HG3  LYS  20           2HG      LYS  20  -6.281   6.401   4.580
  114    HD2  LYS  20           1HD      LYS  20  -5.346   4.583   5.667
  115    HD3  LYS  20           2HD      LYS  20  -3.771   4.807   4.901
  116    HE2  LYS  20           1HE      LYS  20  -3.461   6.867   6.228
  117    HE3  LYS  20           2HE      LYS  20  -4.998   6.555   7.032
  118    HZ1  LYS  20           3HZ      LYS  20  -2.439   5.474   7.594
  119    HZ2  LYS  20           1HZ      LYS  20  -3.538   4.230   7.268
  120    HZ3  LYS  20           2HZ      LYS  20  -3.869   5.352   8.489
  121    H    ALA  21           H        ALA  21  -6.452   8.625   2.633
  122    HA   ALA  21           HA       ALA  21  -4.977   9.627   0.292
  123    HB1  ALA  21           3HB      ALA  21  -7.457  10.323   1.029
  124    HB2  ALA  21           1HB      ALA  21  -6.534  11.515   1.945
  125    HB3  ALA  21           2HB      ALA  21  -6.355  11.417   0.193
  126    H    PHE  22           H        PHE  22  -3.384  11.215   0.549
  127    HA   PHE  22           HA       PHE  22  -2.517  11.799   3.287
  128    HB2  PHE  22           1HB      PHE  22  -0.528  10.982   1.177
  129    HB3  PHE  22           2HB      PHE  22  -0.279  11.131   2.913
  130    HD1  PHE  22           HD2      PHE  22  -1.284   9.447   4.444
  131    HD2  PHE  22           HD1      PHE  22  -1.311   8.978   0.214
  132    HE1  PHE  22           HE2      PHE  22  -1.750   7.046   4.716
  133    HE2  PHE  22           HE1      PHE  22  -1.778   6.577   0.479
  134    HZ   PHE  22           HZ       PHE  22  -1.997   5.608   2.732
  135    H    THR  23           H        THR  23  -0.672  13.457   3.233
  136    HA   THR  23           HA       THR  23  -1.348  15.494   1.217
  137    HB   THR  23           HB       THR  23  -0.115  15.963   3.936
  138    HG1  THR  23           HG1      THR  23  -2.134  15.427   4.475
  139   HG21  THR  23          3HG2      THR  23  -0.182  17.604   1.726
  140   HG22  THR  23          1HG2      THR  23   0.003  18.136   3.396
  141   HG23  THR  23          2HG2      THR  23  -1.593  18.124   2.647
  142    H    ARG  24           H        ARG  24   1.303  13.907   2.908
  143    HA   ARG  24           HA       ARG  24   3.249  15.315   1.233
  144    HB2  ARG  24           1HB      ARG  24   3.722  13.438   3.556
  145    HB3  ARG  24           2HB      ARG  24   4.943  14.398   2.730
  146    HG2  ARG  24           1HG      ARG  24   4.012  16.430   3.555
  147    HG3  ARG  24           2HG      ARG  24   2.600  15.586   4.194
  148    HD2  ARG  24           1HD      ARG  24   5.308  14.765   5.124
  149    HD3  ARG  24           2HD      ARG  24   4.614  16.259   5.752
  150    HE   ARG  24           HE       ARG  24   2.617  14.514   6.138
  151   HH11  ARG  24          1HH1      ARG  24   6.017  14.352   6.869
  152   HH12  ARG  24          2HH1      ARG  24   5.804  13.330   8.252
  153   HH21  ARG  24          1HH2      ARG  24   2.323  13.168   7.956
  154   HH22  ARG  24          2HH2      ARG  24   3.703  12.657   8.869
  155    H    LYS  25           H        LYS  25   5.067  13.990   0.351
  156    HA   LYS  25           HA       LYS  25   4.029  11.916  -1.294
  157    HB2  LYS  25           1HB      LYS  25   5.770  13.331  -2.157
  158    HB3  LYS  25           2HB      LYS  25   6.842  12.910  -0.829
  159    HG2  LYS  25           1HG      LYS  25   7.691  11.601  -2.496
  160    HG3  LYS  25           2HG      LYS  25   6.544  10.481  -1.757
  161    HD2  LYS  25           1HD      LYS  25   6.113  10.273  -4.037
  162    HD3  LYS  25           2HD      LYS  25   4.867  11.396  -3.486
  163    HE2  LYS  25           1HE      LYS  25   7.467  12.465  -4.490
  164    HE3  LYS  25           2HE      LYS  25   6.261  11.902  -5.646
  165    HZ1  LYS  25           3HZ      LYS  25   5.415  13.940  -5.456
  166    HZ2  LYS  25           1HZ      LYS  25   6.291  14.290  -4.052
  167    HZ3  LYS  25           2HZ      LYS  25   4.826  13.452  -3.947
  168    H    SER  26           H        SER  26   6.468  11.908   1.305
  169    HA   SER  26           HA       SER  26   6.974   9.179   1.357
  170    HB2  SER  26           1HB      SER  26   7.175  11.364   3.392
  171    HB3  SER  26           2HB      SER  26   7.411   9.694   3.906
  172    HG   SER  26           HG       SER  26   9.394  10.479   3.311
  173    H    GLY  27           H        GLY  27   4.599  11.023   3.268
  174    HA2  GLY  27           1HA      GLY  27   3.488   9.208   4.895
  175    HA3  GLY  27           2HA      GLY  27   2.496  10.333   3.979
  176    H    LEU  28           H        LEU  28   2.981   9.280   1.396
  177    HA   LEU  28           HA       LEU  28   1.165   7.040   1.477
  178    HB2  LEU  28           1HB      LEU  28   0.654   8.494  -0.245
  179    HB3  LEU  28           2HB      LEU  28   2.347   8.752  -0.664
  180    HG   LEU  28           HG       LEU  28   2.337   6.355  -1.521
  181   HD11  LEU  28          1HD1      LEU  28   0.172   5.822  -0.318
  182   HD12  LEU  28          2HD1      LEU  28   0.288   5.298  -1.997
  183   HD13  LEU  28          3HD1      LEU  28  -0.642   6.739  -1.586
  184   HD21  LEU  28          3HD2      LEU  28   2.387   7.608  -3.366
  185   HD22  LEU  28          1HD2      LEU  28   1.257   8.786  -2.697
  186   HD23  LEU  28          2HD2      LEU  28   0.649   7.322  -3.471
  187    H    HIS  29           H        HIS  29   4.421   7.606   0.142
  188    HA   HIS  29           HA       HIS  29   5.042   5.144  -0.830
  189    HB2  HIS  29           1HB      HIS  29   6.475   7.352  -0.524
  190    HB3  HIS  29           2HB      HIS  29   7.112   6.472   0.863
  191    HD2  HIS  29           HD2      HIS  29   6.526   5.273  -2.878
  192    HE1  HIS  29           HE1      HIS  29  10.448   4.249  -1.625
  193    HE2  HIS  29           HE2      HIS  29   8.796   4.216  -3.526
  194    H    ILE  30           H        ILE  30   5.600   6.159   2.544
  195    HA   ILE  30           HA       ILE  30   6.469   3.676   3.492
  196    HB   ILE  30           HB       ILE  30   4.991   5.803   5.046
  197   HG12  ILE  30          1HG1      ILE  30   7.977   5.431   4.832
  198   HG13  ILE  30          2HG1      ILE  30   7.083   6.512   3.769
  199   HG21  ILE  30          1HG2      ILE  30   5.664   3.261   5.844
  200   HG22  ILE  30          2HG2      ILE  30   7.017   4.231   6.426
  201   HG23  ILE  30          3HG2      ILE  30   5.370   4.634   6.911
  202   HD11  ILE  30          3HD1      ILE  30   7.610   6.742   6.694
  203   HD12  ILE  30          1HD1      ILE  30   7.832   7.934   5.413
  204   HD13  ILE  30          2HD1      ILE  30   6.209   7.540   5.980
  205    H    HIS  31           H        HIS  31   3.230   5.023   3.167
  206    HA   HIS  31           HA       HIS  31   1.860   3.019   4.606
  207    HB2  HIS  31           1HB      HIS  31   0.678   5.027   4.199
  208    HB3  HIS  31           2HB      HIS  31   1.003   4.963   2.469
  209    HD1  HIS  31           HD1      HIS  31  -1.084   3.239   5.109
  210    HD2  HIS  31           HD2      HIS  31  -0.900   3.671   0.981
  211    HE1  HIS  31           HE1      HIS  31  -3.194   2.191   4.228
  212    H    GLN  32           H        GLN  32   2.902   3.265   1.261
  213    HA   GLN  32           HA       GLN  32   1.437   1.019   0.316
  214    HB2  GLN  32           1HB      GLN  32   3.830   2.504  -0.757
  215    HB3  GLN  32           2HB      GLN  32   3.120   1.129  -1.593
  216    HG2  GLN  32           1HG      GLN  32   0.912   2.508  -1.352
  217    HG3  GLN  32           2HG      GLN  32   2.024   3.862  -1.165
  218   HE21  GLN  32          1HE2      GLN  32   0.517   1.724  -3.330
  219   HE22  GLN  32          2HE2      GLN  32   1.286   2.268  -4.777
  220    H    GLN  33           H        GLN  33   4.268   1.347   2.186
  221    HA   GLN  33           HA       GLN  33   5.579  -1.060   1.409
  222    HB2  GLN  33           1HB      GLN  33   5.802   0.627   3.904
  223    HB3  GLN  33           2HB      GLN  33   6.840  -0.749   3.553
  224    HG2  GLN  33           1HG      GLN  33   7.525   0.412   1.450
  225    HG3  GLN  33           2HG      GLN  33   6.633   1.824   2.014
  226   HE21  GLN  33          1HE2      GLN  33   9.446  -0.143   2.423
  227   HE22  GLN  33          2HE2      GLN  33  10.276   0.903   3.520
  228    H    SER  34           H        SER  34   2.795  -0.434   3.219
  229    HA   SER  34           HA       SER  34   2.997  -2.957   4.700
  230    HB2  SER  34           1HB      SER  34   1.026  -0.672   4.945
  231    HB3  SER  34           2HB      SER  34   0.984  -2.143   5.918
  232    HG   SER  34           HG       SER  34   3.200  -1.549   6.536
  233    H    HIS  35           H        HIS  35   2.480  -2.666   1.771
  234    HA   HIS  35           HA       HIS  35  -0.088  -4.111   1.694
  235    HB2  HIS  35           1HB      HIS  35   1.034  -2.083  -0.231
  236    HB3  HIS  35           2HB      HIS  35  -0.211  -3.230  -0.718
  237    HD1  HIS  35           HD1      HIS  35  -1.955  -3.126   1.846
  238    HD2  HIS  35           HD2      HIS  35  -0.454   0.205  -0.132
  239    HE1  HIS  35           HE1      HIS  35  -3.472  -1.224   2.484
  240    H    THR  36           H        THR  36   2.561  -5.212   2.054
  241    HA   THR  36           HA       THR  36   3.811  -6.189  -0.191
  242    HB   THR  36           HB       THR  36   4.510  -8.133   1.174
  243    HG1  THR  36           HG1      THR  36   2.766  -7.033   3.146
  244   HG21  THR  36          3HG2      THR  36   6.025  -6.628   1.837
  245   HG22  THR  36          1HG2      THR  36   5.036  -6.400   3.278
  246   HG23  THR  36          2HG2      THR  36   4.825  -5.337   1.887
  247    H    GLY  37           H        GLY  37   1.088  -7.688   1.556
  248    HA2  GLY  37           1HA      GLY  37  -0.261  -8.579  -0.710
  249    HA3  GLY  37           2HA      GLY  37   0.815  -9.879  -0.219
  250    H    GLU  38           H        GLU  38  -2.221  -8.541   0.178
  251    HA   GLU  38           HA       GLU  38  -2.610  -9.917   2.752
  252    HB2  GLU  38           1HB      GLU  38  -3.115  -7.380   2.453
  253    HB3  GLU  38           2HB      GLU  38  -4.557  -7.937   1.615
  254    HG2  GLU  38           1HG      GLU  38  -5.512  -8.771   3.512
  255    HG3  GLU  38           2HG      GLU  38  -3.962  -9.066   4.296
  256    H    ARG  39           H        ARG  39  -2.774 -11.940   1.579
  257    HA   ARG  39           HA       ARG  39  -5.451 -12.690   1.090
  258    HB2  ARG  39           1HB      ARG  39  -5.222 -11.581  -1.028
  259    HB3  ARG  39           2HB      ARG  39  -3.677 -12.365  -1.330
  260    HG2  ARG  39           1HG      ARG  39  -5.253 -13.478  -2.675
  261    HG3  ARG  39           2HG      ARG  39  -4.923 -14.557  -1.319
  262    HD2  ARG  39           1HD      ARG  39  -7.294 -14.515  -1.733
  263    HD3  ARG  39           2HD      ARG  39  -6.961 -13.707  -0.202
  264    HE   ARG  39           HE       ARG  39  -7.000 -11.658  -1.945
  265   HH11  ARG  39          1HH1      ARG  39  -9.199 -14.293  -1.361
  266   HH12  ARG  39          2HH1      ARG  39 -10.604 -13.397  -1.835
  267   HH21  ARG  39          1HH2      ARG  39  -8.842 -10.468  -2.572
  268   HH22  ARG  39          2HH2      ARG  39 -10.400 -11.222  -2.524
  269    H    HIS  40           H        HIS  40  -5.669 -14.837   1.380
  270    HA   HIS  40           HA       HIS  40  -5.082 -16.953   1.998
  271    HB2  HIS  40           1HB      HIS  40  -3.099 -16.629  -0.263
  272    HB3  HIS  40           2HB      HIS  40  -3.660 -18.155   0.413
  273    HD2  HIS  40           HD2      HIS  40  -6.900 -17.450   0.351
  274    HE1  HIS  40           HE1      HIS  40  -6.222 -16.965  -3.808
  275    HE2  HIS  40           HE2      HIS  40  -7.955 -17.236  -2.000
  276    H    SER  41           H        SER  41  -3.806 -14.892   3.476
  277    HA   SER  41           HA       SER  41  -1.029 -15.374   3.784
  278    HB2  SER  41           1HB      SER  41  -2.539 -13.361   4.575
  279    HB3  SER  41           2HB      SER  41  -2.688 -14.325   6.045
  280    HG   SER  41           HG       SER  41  -0.581 -14.087   6.441
  281    H    GLY  42           H        GLY  42  -0.414 -17.425   4.210
  282    HA2  GLY  42           1HA      GLY  42   0.163 -18.909   6.024
  283    HA3  GLY  42           2HA      GLY  42  -1.421 -18.600   6.719
  284    HA   PRO  43           HA       PRO  43  -1.905 -21.650   2.955
  285    HB2  PRO  43           1HB      PRO  43   0.346 -23.048   2.364
  286    HB3  PRO  43           2HB      PRO  43  -0.073 -21.523   1.574
  287    HG2  PRO  43           1HG      PRO  43   1.828 -22.027   3.831
  288    HG3  PRO  43           2HG      PRO  43   2.027 -20.981   2.413
  289    HD2  PRO  43           1HD      PRO  43   1.342 -20.018   4.850
  290    HD3  PRO  43           2HD      PRO  43   0.778 -19.278   3.338
  291    H    SER  44           H        SER  44  -2.801 -23.566   3.458
  292    HA   SER  44           HA       SER  44  -1.480 -25.336   5.368
  293    HB2  SER  44           1HB      SER  44  -2.976 -23.847   6.692
  294    HB3  SER  44           2HB      SER  44  -4.343 -24.422   5.738
  295    HG   SER  44           HG       SER  44  -2.872 -25.719   7.714
  296    H    SER  45           H        SER  45  -1.921 -27.479   5.064
  297    HA   SER  45           HA       SER  45  -2.308 -29.255   3.637
  298    HB2  SER  45           1HB      SER  45  -4.980 -28.213   4.537
  299    HB3  SER  45           2HB      SER  45  -4.879 -29.638   3.504
  300    HG   SER  45           HG       SER  45  -4.856 -30.308   5.633
  301    H    GLY  46           H        GLY  46  -1.595 -27.110   2.069
  302    HA2  GLY  46           1HA      GLY  46  -2.325 -27.808  -0.465
  303    HA3  GLY  46           2HA      GLY  46  -3.544 -26.635   0.010
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -13.509  -8.707  -2.576
    2    HA2  GLY   1           1HA      GLY   1 -11.775  -7.447  -1.045
    3    HA3  GLY   1           2HA      GLY   1 -11.320  -6.765  -2.600
    4    H    SER   2           H        SER   2 -12.782  -5.866   0.025
    5    HA   SER   2           HA       SER   2 -15.001  -4.494  -1.344
    6    HB2  SER   2           1HB      SER   2 -16.055  -4.277   0.881
    7    HB3  SER   2           2HB      SER   2 -15.783  -5.965   0.449
    8    HG   SER   2           HG       SER   2 -15.128  -5.550   2.587
    9    H    SER   3           H        SER   3 -15.373  -2.289  -0.861
   10    HA   SER   3           HA       SER   3 -13.572  -0.797   0.790
   11    HB2  SER   3           1HB      SER   3 -12.420   0.452  -0.898
   12    HB3  SER   3           2HB      SER   3 -12.207  -1.254  -1.290
   13    HG   SER   3           HG       SER   3 -12.836   0.200  -3.066
   14    H    GLY   4           H        GLY   4 -14.046   1.538   0.740
   15    HA2  GLY   4           1HA      GLY   4 -16.449   2.388  -0.633
   16    HA3  GLY   4           2HA      GLY   4 -16.636   2.203   1.105
   17    H    SER   5           H        SER   5 -17.078   4.640  -0.006
   18    HA   SER   5           HA       SER   5 -15.076   6.239   1.318
   19    HB2  SER   5           1HB      SER   5 -15.372   6.232  -1.668
   20    HB3  SER   5           2HB      SER   5 -14.933   7.724  -0.836
   21    HG   SER   5           HG       SER   5 -13.050   6.668  -1.361
   22    H    SER   6           H        SER   6 -15.989   7.978   2.226
   23    HA   SER   6           HA       SER   6 -18.798   8.372   2.026
   24    HB2  SER   6           1HB      SER   6 -16.606   9.908   3.422
   25    HB3  SER   6           2HB      SER   6 -18.300  10.393   3.498
   26    HG   SER   6           HG       SER   6 -18.556   8.939   4.975
   27    H    GLY   7           H        GLY   7 -16.010  10.377   1.071
   28    HA2  GLY   7           1HA      GLY   7 -16.592  11.244  -1.344
   29    HA3  GLY   7           2HA      GLY   7 -17.805  12.132  -0.434
   30    H    THR   8           H        THR   8 -14.430  11.383   0.374
   31    HA   THR   8           HA       THR   8 -13.840  14.264   0.291
   32    HB   THR   8           HB       THR   8 -12.453  14.000   2.342
   33    HG1  THR   8           HG1      THR   8 -12.398  12.122   3.397
   34   HG21  THR   8          3HG2      THR   8 -14.351  13.931   3.931
   35   HG22  THR   8          1HG2      THR   8 -15.390  13.355   2.627
   36   HG23  THR   8          2HG2      THR   8 -14.668  14.962   2.536
   37    H    GLY   9           H        GLY   9 -12.691  14.034  -1.635
   38    HA2  GLY   9           1HA      GLY   9 -10.149  12.554  -1.361
   39    HA3  GLY   9           2HA      GLY   9 -11.069  12.541  -2.858
   40    H    GLU  10           H        GLU  10 -10.282  15.203  -0.637
   41    HA   GLU  10           HA       GLU  10  -9.648  16.952  -2.798
   42    HB2  GLU  10           1HB      GLU  10  -9.077  18.571  -1.075
   43    HB3  GLU  10           2HB      GLU  10 -10.587  17.764  -0.672
   44    HG2  GLU  10           1HG      GLU  10  -9.176  16.213   0.775
   45    HG3  GLU  10           2HG      GLU  10  -7.884  17.395   0.569
   46    H    LYS  11           H        LYS  11  -7.738  15.160  -0.423
   47    HA   LYS  11           HA       LYS  11  -5.224  16.173  -0.882
   48    HB2  LYS  11           1HB      LYS  11  -6.175  13.405  -0.203
   49    HB3  LYS  11           2HB      LYS  11  -4.462  13.739  -0.413
   50    HG2  LYS  11           1HG      LYS  11  -4.335  15.020   1.479
   51    HG3  LYS  11           2HG      LYS  11  -6.041  15.468   1.422
   52    HD2  LYS  11           1HD      LYS  11  -6.544  13.034   1.944
   53    HD3  LYS  11           2HD      LYS  11  -4.826  12.861   2.310
   54    HE2  LYS  11           1HE      LYS  11  -5.963  13.278   4.364
   55    HE3  LYS  11           2HE      LYS  11  -5.073  14.740   3.942
   56    HZ1  LYS  11           3HZ      LYS  11  -7.008  15.765   4.284
   57    HZ2  LYS  11           1HZ      LYS  11  -7.906  14.333   4.211
   58    HZ3  LYS  11           2HZ      LYS  11  -7.484  15.140   2.786
   59    HA   PRO  12           HA       PRO  12  -4.210  15.214  -5.056
   60    HB2  PRO  12           1HB      PRO  12  -1.502  15.246  -4.862
   61    HB3  PRO  12           2HB      PRO  12  -2.485  16.714  -4.825
   62    HG2  PRO  12           1HG      PRO  12  -1.283  15.182  -2.552
   63    HG3  PRO  12           2HG      PRO  12  -1.350  16.935  -2.807
   64    HD2  PRO  12           1HD      PRO  12  -3.052  15.638  -1.148
   65    HD3  PRO  12           2HD      PRO  12  -3.525  17.088  -2.058
   66    H    TYR  13           H        TYR  13  -2.425  13.434  -2.544
   67    HA   TYR  13           HA       TYR  13  -1.992  11.201  -4.353
   68    HB2  TYR  13           1HB      TYR  13  -1.259  11.384  -1.428
   69    HB3  TYR  13           2HB      TYR  13  -0.609  10.270  -2.625
   70    HD1  TYR  13           HD1      TYR  13   1.034  11.019  -4.262
   71    HD2  TYR  13           HD2      TYR  13  -0.505  13.685  -1.325
   72    HE1  TYR  13           HE1      TYR  13   2.859  12.596  -4.745
   73    HE2  TYR  13           HE2      TYR  13   1.315  15.270  -1.800
   74    HH   TYR  13           HH       TYR  13   3.307  15.527  -2.837
   75    H    LYS  14           H        LYS  14  -2.595   9.015  -3.763
   76    HA   LYS  14           HA       LYS  14  -4.482   8.469  -1.717
   77    HB2  LYS  14           1HB      LYS  14  -6.013   9.705  -3.134
   78    HB3  LYS  14           2HB      LYS  14  -5.550   8.743  -4.532
   79    HG2  LYS  14           1HG      LYS  14  -7.525   7.749  -3.955
   80    HG3  LYS  14           2HG      LYS  14  -6.380   6.748  -3.057
   81    HD2  LYS  14           1HD      LYS  14  -6.855   7.894  -1.023
   82    HD3  LYS  14           2HD      LYS  14  -7.778   9.139  -1.868
   83    HE2  LYS  14           1HE      LYS  14  -9.277   7.175  -2.628
   84    HE3  LYS  14           2HE      LYS  14  -8.515   6.289  -1.308
   85    HZ1  LYS  14           3HZ      LYS  14 -10.631   7.395  -0.701
   86    HZ2  LYS  14           1HZ      LYS  14  -9.895   8.894  -0.972
   87    HZ3  LYS  14           2HZ      LYS  14  -9.320   7.879   0.253
   88    H    CYS  15           H        CYS  15  -3.642   6.553  -1.195
   89    HA   CYS  15           HA       CYS  15  -2.248   4.793  -2.771
   90    HB2  CYS  15           1HB      CYS  15  -2.516   4.691  -0.272
   91    HB3  CYS  15           2HB      CYS  15  -4.095   3.957  -0.529
   92    H    SER  16           H        SER  16  -2.828   3.892  -4.627
   93    HA   SER  16           HA       SER  16  -5.615   3.317  -5.195
   94    HB2  SER  16           1HB      SER  16  -3.084   3.269  -6.821
   95    HB3  SER  16           2HB      SER  16  -4.566   2.532  -7.432
   96    HG   SER  16           HG       SER  16  -4.338   5.221  -6.548
   97    H    ASP  17           H        ASP  17  -4.419   1.768  -3.115
   98    HA   ASP  17           HA       ASP  17  -4.548  -0.908  -4.342
   99    HB2  ASP  17           1HB      ASP  17  -2.802   0.047  -2.070
  100    HB3  ASP  17           2HB      ASP  17  -3.070  -1.657  -2.429
  101    H    CYS  18           H        CYS  18  -4.812   0.706  -1.169
  102    HA   CYS  18           HA       CYS  18  -6.982  -1.150  -0.484
  103    HB2  CYS  18           1HB      CYS  18  -6.580  -0.517   1.839
  104    HB3  CYS  18           2HB      CYS  18  -5.082  -1.052   1.084
  105    H    GLY  19           H        GLY  19  -6.140   2.300  -0.446
  106    HA2  GLY  19           1HA      GLY  19  -7.937   3.773  -1.351
  107    HA3  GLY  19           2HA      GLY  19  -9.032   2.893  -0.294
  108    H    LYS  20           H        LYS  20  -6.054   4.837  -0.177
  109    HA   LYS  20           HA       LYS  20  -7.152   6.264   2.127
  110    HB2  LYS  20           1HB      LYS  20  -5.794   4.584   3.175
  111    HB3  LYS  20           2HB      LYS  20  -4.463   4.892   2.068
  112    HG2  LYS  20           1HG      LYS  20  -3.909   6.904   3.098
  113    HG3  LYS  20           2HG      LYS  20  -5.480   7.036   3.893
  114    HD2  LYS  20           1HD      LYS  20  -3.767   4.693   4.544
  115    HD3  LYS  20           2HD      LYS  20  -3.314   6.265   5.206
  116    HE2  LYS  20           1HE      LYS  20  -6.118   5.232   5.446
  117    HE3  LYS  20           2HE      LYS  20  -4.868   4.738   6.587
  118    HZ1  LYS  20           3HZ      LYS  20  -4.873   7.558   6.212
  119    HZ2  LYS  20           1HZ      LYS  20  -5.026   6.666   7.642
  120    HZ3  LYS  20           2HZ      LYS  20  -6.395   7.014   6.712
  121    H    ALA  21           H        ALA  21  -6.414   8.375   2.357
  122    HA   ALA  21           HA       ALA  21  -4.900   9.400   0.049
  123    HB1  ALA  21           3HB      ALA  21  -7.090  10.327   0.078
  124    HB2  ALA  21           1HB      ALA  21  -6.968  10.720   1.794
  125    HB3  ALA  21           2HB      ALA  21  -5.984  11.591   0.617
  126    H    PHE  22           H        PHE  22  -3.360  11.078   0.387
  127    HA   PHE  22           HA       PHE  22  -2.465  11.487   3.144
  128    HB2  PHE  22           1HB      PHE  22  -0.567  10.704   0.926
  129    HB3  PHE  22           2HB      PHE  22  -0.169  10.961   2.621
  130    HD1  PHE  22           HD1      PHE  22  -2.246   8.816   0.405
  131    HD2  PHE  22           HD2      PHE  22  -0.129   9.168   4.081
  132    HE1  PHE  22           HE1      PHE  22  -2.630   6.427   0.852
  133    HE2  PHE  22           HE2      PHE  22  -0.509   6.780   4.533
  134    HZ   PHE  22           HZ       PHE  22  -1.760   5.405   2.917
  135    H    THR  23           H        THR  23  -0.471  13.085   3.036
  136    HA   THR  23           HA       THR  23  -1.215  15.248   1.174
  137    HB   THR  23           HB       THR  23  -0.208  15.459   4.016
  138    HG1  THR  23           HG1      THR  23  -2.553  16.669   3.063
  139   HG21  THR  23          3HG2      THR  23   0.828  17.281   3.048
  140   HG22  THR  23          1HG2      THR  23  -0.732  17.971   3.491
  141   HG23  THR  23          2HG2      THR  23  -0.426  17.479   1.825
  142    H    ARG  24           H        ARG  24   1.419  13.602   2.835
  143    HA   ARG  24           HA       ARG  24   3.354  15.036   1.149
  144    HB2  ARG  24           1HB      ARG  24   5.005  13.878   2.800
  145    HB3  ARG  24           2HB      ARG  24   4.100  15.291   3.327
  146    HG2  ARG  24           1HG      ARG  24   2.483  13.840   4.445
  147    HG3  ARG  24           2HG      ARG  24   3.396  12.424   3.919
  148    HD2  ARG  24           1HD      ARG  24   5.385  13.645   5.103
  149    HD3  ARG  24           2HD      ARG  24   4.094  14.489   5.957
  150    HE   ARG  24           HE       ARG  24   3.753  11.651   5.981
  151   HH11  ARG  24          1HH1      ARG  24   5.407  14.307   7.505
  152   HH12  ARG  24          2HH1      ARG  24   5.611  13.484   9.016
  153   HH21  ARG  24          1HH2      ARG  24   4.015  10.556   7.965
  154   HH22  ARG  24          2HH2      ARG  24   4.820  11.350   9.276
  155    H    LYS  25           H        LYS  25   4.888  13.908  -0.059
  156    HA   LYS  25           HA       LYS  25   4.042  11.594  -1.348
  157    HB2  LYS  25           1HB      LYS  25   5.805  13.303  -2.084
  158    HB3  LYS  25           2HB      LYS  25   6.939  12.384  -1.104
  159    HG2  LYS  25           1HG      LYS  25   7.269  11.471  -3.183
  160    HG3  LYS  25           2HG      LYS  25   6.085  10.359  -2.494
  161    HD2  LYS  25           1HD      LYS  25   4.301  11.749  -3.610
  162    HD3  LYS  25           2HD      LYS  25   5.600  12.591  -4.459
  163    HE2  LYS  25           1HE      LYS  25   6.363  10.223  -5.155
  164    HE3  LYS  25           2HE      LYS  25   4.738   9.729  -4.683
  165    HZ1  LYS  25           3HZ      LYS  25   5.593  11.053  -7.045
  166    HZ2  LYS  25           1HZ      LYS  25   4.401  11.958  -6.257
  167    HZ3  LYS  25           2HZ      LYS  25   4.093  10.354  -6.695
  168    H    SER  26           H        SER  26   6.403  11.970   1.277
  169    HA   SER  26           HA       SER  26   7.101   9.241   1.451
  170    HB2  SER  26           1HB      SER  26   8.035   9.831   3.659
  171    HB3  SER  26           2HB      SER  26   8.497  11.003   2.426
  172    HG   SER  26           HG       SER  26   6.235  11.391   4.072
  173    H    GLY  27           H        GLY  27   4.632  11.185   3.069
  174    HA2  GLY  27           1HA      GLY  27   3.759   9.486   5.036
  175    HA3  GLY  27           2HA      GLY  27   2.689  10.537   4.120
  176    H    LEU  28           H        LEU  28   2.989   9.318   1.588
  177    HA   LEU  28           HA       LEU  28   1.276   7.012   1.995
  178    HB2  LEU  28           1HB      LEU  28   0.473   8.437   0.334
  179    HB3  LEU  28           2HB      LEU  28   2.071   8.662  -0.374
  180    HG   LEU  28           HG       LEU  28   1.971   6.302  -1.179
  181   HD11  LEU  28          1HD1      LEU  28  -0.915   6.109  -1.004
  182   HD12  LEU  28          2HD1      LEU  28  -0.149   6.096   0.584
  183   HD13  LEU  28          3HD1      LEU  28   0.324   4.911  -0.632
  184   HD21  LEU  28          3HD2      LEU  28   1.480   7.586  -2.960
  185   HD22  LEU  28          1HD2      LEU  28   0.278   8.532  -2.081
  186   HD23  LEU  28          2HD2      LEU  28  -0.149   6.949  -2.731
  187    H    HIS  29           H        HIS  29   4.311   7.731   0.277
  188    HA   HIS  29           HA       HIS  29   4.963   5.325  -0.783
  189    HB2  HIS  29           1HB      HIS  29   6.619   7.459   0.498
  190    HB3  HIS  29           2HB      HIS  29   7.400   5.955   0.021
  191    HD2  HIS  29           HD2      HIS  29   4.645   7.316  -2.344
  192    HE1  HIS  29           HE1      HIS  29   8.416   8.083  -4.131
  193    HE2  HIS  29           HE2      HIS  29   5.916   8.190  -4.420
  194    H    ILE  30           H        ILE  30   5.500   6.280   2.598
  195    HA   ILE  30           HA       ILE  30   6.657   3.830   3.406
  196    HB   ILE  30           HB       ILE  30   5.203   5.887   5.074
  197   HG12  ILE  30          1HG1      ILE  30   8.178   5.561   4.944
  198   HG13  ILE  30          2HG1      ILE  30   7.351   6.464   3.679
  199   HG21  ILE  30          1HG2      ILE  30   6.029   4.870   6.991
  200   HG22  ILE  30          2HG2      ILE  30   5.543   3.501   5.994
  201   HG23  ILE  30          3HG2      ILE  30   7.244   3.953   6.101
  202   HD11  ILE  30          3HD1      ILE  30   8.119   8.011   5.306
  203   HD12  ILE  30          1HD1      ILE  30   6.366   7.899   5.464
  204   HD13  ILE  30          2HD1      ILE  30   7.411   7.072   6.620
  205    H    HIS  31           H        HIS  31   3.336   5.032   3.403
  206    HA   HIS  31           HA       HIS  31   2.177   2.914   4.849
  207    HB2  HIS  31           1HB      HIS  31   0.774   4.750   4.652
  208    HB3  HIS  31           2HB      HIS  31   1.140   4.977   2.944
  209    HD1  HIS  31           HD1      HIS  31  -0.939   2.830   5.240
  210    HD2  HIS  31           HD2      HIS  31  -0.564   3.698   1.194
  211    HE1  HIS  31           HE1      HIS  31  -2.930   1.762   4.135
  212    H    GLN  32           H        GLN  32   2.298   3.463   1.326
  213    HA   GLN  32           HA       GLN  32   1.058   1.297   0.333
  214    HB2  GLN  32           1HB      GLN  32   3.716   2.406  -0.581
  215    HB3  GLN  32           2HB      GLN  32   2.744   1.281  -1.520
  216    HG2  GLN  32           1HG      GLN  32   0.877   3.052  -1.248
  217    HG3  GLN  32           2HG      GLN  32   2.206   4.140  -0.851
  218   HE21  GLN  32          1HE2      GLN  32   1.348   1.692  -3.274
  219   HE22  GLN  32          2HE2      GLN  32   1.968   2.568  -4.628
  220    H    GLN  33           H        GLN  33   4.399   1.291   1.543
  221    HA   GLN  33           HA       GLN  33   5.234  -1.223   0.993
  222    HB2  GLN  33           1HB      GLN  33   5.552   0.243   3.616
  223    HB3  GLN  33           2HB      GLN  33   6.486  -1.172   3.148
  224    HG2  GLN  33           1HG      GLN  33   6.460   1.178   1.329
  225    HG3  GLN  33           2HG      GLN  33   7.413   1.261   2.810
  226   HE21  GLN  33          1HE2      GLN  33   8.571  -1.031   3.142
  227   HE22  GLN  33          2HE2      GLN  33   9.522  -1.509   1.781
  228    H    SER  34           H        SER  34   3.177  -0.329   3.753
  229    HA   SER  34           HA       SER  34   2.871  -2.585   5.145
  230    HB2  SER  34           1HB      SER  34   0.709  -0.717   4.174
  231    HB3  SER  34           2HB      SER  34   0.377  -2.028   5.306
  232    HG   SER  34           HG       SER  34   2.271  -0.997   6.494
  233    H    HIS  35           H        HIS  35   1.495  -2.037   1.941
  234    HA   HIS  35           HA       HIS  35   0.218  -4.624   1.872
  235    HB2  HIS  35           1HB      HIS  35   0.674  -2.803  -0.486
  236    HB3  HIS  35           2HB      HIS  35  -0.591  -4.009  -0.271
  237    HD1  HIS  35           HD1      HIS  35  -2.197  -3.366   1.957
  238    HD2  HIS  35           HD2      HIS  35  -0.241  -0.306  -0.060
  239    HE1  HIS  35           HE1      HIS  35  -3.433  -1.262   2.566
  240    H    THR  36           H        THR  36   2.778  -5.130   2.458
  241    HA   THR  36           HA       THR  36   3.954  -6.076  -0.074
  242    HB   THR  36           HB       THR  36   5.425  -4.474   1.009
  243    HG1  THR  36           HG1      THR  36   6.512  -7.048   1.518
  244   HG21  THR  36          3HG2      THR  36   5.740  -4.349   3.219
  245   HG22  THR  36          1HG2      THR  36   6.133  -6.064   3.332
  246   HG23  THR  36          2HG2      THR  36   4.450  -5.540   3.380
  247    H    GLY  37           H        GLY  37   2.659  -6.965   2.969
  248    HA2  GLY  37           1HA      GLY  37   3.263  -9.777   2.375
  249    HA3  GLY  37           2HA      GLY  37   3.659  -9.150   3.969
  250    H    GLU  38           H        GLU  38   0.887  -9.146   1.721
  251    HA   GLU  38           HA       GLU  38  -1.164  -8.693   3.442
  252    HB2  GLU  38           1HB      GLU  38  -1.189  -9.229   0.904
  253    HB3  GLU  38           2HB      GLU  38  -1.412 -10.896   1.415
  254    HG2  GLU  38           1HG      GLU  38  -3.525  -9.762   0.880
  255    HG3  GLU  38           2HG      GLU  38  -3.455 -10.333   2.546
  256    H    ARG  39           H        ARG  39   0.009 -11.967   2.635
  257    HA   ARG  39           HA       ARG  39  -0.063 -13.933   3.777
  258    HB2  ARG  39           1HB      ARG  39   1.173 -12.249   5.406
  259    HB3  ARG  39           2HB      ARG  39  -0.267 -12.497   6.384
  260    HG2  ARG  39           1HG      ARG  39   1.138 -14.891   5.329
  261    HG3  ARG  39           2HG      ARG  39   1.875 -14.001   6.663
  262    HD2  ARG  39           1HD      ARG  39  -0.905 -15.168   6.605
  263    HD3  ARG  39           2HD      ARG  39   0.473 -15.797   7.507
  264    HE   ARG  39           HE       ARG  39  -1.225 -13.613   8.250
  265   HH11  ARG  39          1HH1      ARG  39   1.968 -14.962   8.568
  266   HH12  ARG  39          2HH1      ARG  39   2.290 -14.178  10.079
  267   HH21  ARG  39          1HH2      ARG  39  -0.813 -12.575  10.239
  268   HH22  ARG  39          2HH2      ARG  39   0.707 -12.822  11.029
  269    H    HIS  40           H        HIS  40  -2.437 -13.454   2.786
  270    HA   HIS  40           HA       HIS  40  -4.233 -14.608   4.717
  271    HB2  HIS  40           1HB      HIS  40  -4.438 -12.165   5.166
  272    HB3  HIS  40           2HB      HIS  40  -4.956 -11.936   3.498
  273    HD2  HIS  40           HD2      HIS  40  -6.419 -12.906   6.908
  274    HE1  HIS  40           HE1      HIS  40  -9.470 -13.485   4.018
  275    HE2  HIS  40           HE2      HIS  40  -8.938 -13.295   6.473
  276    H    SER  41           H        SER  41  -5.168 -16.196   3.630
  277    HA   SER  41           HA       SER  41  -5.159 -16.407   0.823
  278    HB2  SER  41           1HB      SER  41  -5.258 -18.356   2.348
  279    HB3  SER  41           2HB      SER  41  -6.898 -17.899   2.804
  280    HG   SER  41           HG       SER  41  -7.216 -18.006   0.364
  281    H    GLY  42           H        GLY  42  -6.133 -14.659  -0.158
  282    HA2  GLY  42           1HA      GLY  42  -8.819 -14.785  -0.788
  283    HA3  GLY  42           2HA      GLY  42  -8.709 -13.685   0.578
  284    HA   PRO  43           HA       PRO  43  -6.193 -11.659  -3.034
  285    HB2  PRO  43           1HB      PRO  43  -6.492 -12.793  -5.483
  286    HB3  PRO  43           2HB      PRO  43  -5.215 -13.265  -4.355
  287    HG2  PRO  43           1HG      PRO  43  -7.839 -14.594  -4.910
  288    HG3  PRO  43           2HG      PRO  43  -6.238 -15.325  -4.694
  289    HD2  PRO  43           1HD      PRO  43  -8.094 -15.277  -2.724
  290    HD3  PRO  43           2HD      PRO  43  -6.351 -15.200  -2.396
  291    H    SER  44           H        SER  44  -6.896 -10.577  -5.229
  292    HA   SER  44           HA       SER  44  -9.648 -10.545  -5.900
  293    HB2  SER  44           1HB      SER  44  -9.622  -9.407  -3.613
  294    HB3  SER  44           2HB      SER  44  -8.757  -8.084  -4.395
  295    HG   SER  44           HG       SER  44 -11.374  -9.025  -4.912
  296    H    SER  45           H        SER  45 -10.171  -8.788  -7.439
  297    HA   SER  45           HA       SER  45  -7.931  -7.338  -8.572
  298    HB2  SER  45           1HB      SER  45  -8.120  -9.776  -9.559
  299    HB3  SER  45           2HB      SER  45  -9.435  -9.069 -10.497
  300    HG   SER  45           HG       SER  45  -7.766  -8.605 -11.748
  301    H    GLY  46           H        GLY  46  -8.574  -5.758 -10.151
  302    HA2  GLY  46           1HA      GLY  46  -9.973  -4.151 -11.007
  303    HA3  GLY  46           2HA      GLY  46 -11.249  -5.358 -10.958