*HEADER    TRANSCRIPTION                           28-MAR-07   2EMC              
*TITLE     SOLUTION STRUCTURE OF THE C2H2 TYPE ZINC FINGER (REGION 641-          
*TITLE    2 673) OF HUMAN ZINC FINGER PROTEIN 473                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER PROTEIN 473;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZF-C2H2;                                                   
*COMPND   5 SYNONYM: ZINC FINGER PROTEIN 100 HOMOLOG, ZFP-100;                   
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ZNF473;                                                        
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P070115-30;                               
*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    T.TOMIZAWA, N.TOCHIO, 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 2EMC    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
18 CYSS SG   201 ZN   ZN   2.19  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 CB   201 ZN   ZN   3.25  5.00E+00
18 CYSS CB   201 ZN   ZN   3.25  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
18 CYSS SG   201 ZN   ZN   2.39  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 CB   201 ZN   ZN   3.51  5.00E+00
18 CYSS CB   201 ZN   ZN   3.51  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
 10 GLU  HN     10 GLU  HG2     5.50 #SUP  0.91  #QF  0.67
 10 GLU  HN     10 GLU  HG3     5.50 #SUP  0.91  #QF  0.67
 27 HIS  HB2    28 LEU  HN      3.76 #SUP  0.91  #QF  0.81
 28 LEU  HN     29 SER  HA      5.48 #SUP  1.00
 17 GLU  HN     18 CYSS HA      5.50 #SUP  1.00
 17 GLU  HN     28 LEU  QD1     5.50 #SUP  0.92  #QF  0.92
 16 ASN  HN     17 GLU  HN      4.65 #SUP  0.97  #QF  0.97
 17 GLU  HN     35 HIS  HD2     5.06 #SUP  0.99  #QF  0.99
 15 CYSS HA     17 GLU  HN      4.05 #SUP  0.99  #QF  0.43
 17 GLU  HN     19 GLY  HA1     5.39 #SUP  1.00
 15 CYSS HB3    17 GLU  HN      4.39 #SUP  1.00
 16 ASN  QB     17 GLU  HN      3.65 #SUP  0.99  #QF  0.99
 17 GLU  HN     17 GLU  HG2     4.07 #SUP  1.00
 17 GLU  HN     17 GLU  QB      2.84 #SUP  0.99  #QF  0.99
 20 LYS  HD3    21 THR  HN      3.89 #SUP  0.98  #QF  0.98
 20 LYS  HB3    21 THR  HN      3.55 #SUP  1.00
 14 LYS  HA     21 THR  HN      5.28 #SUP  0.99  #QF  0.99
 27 HIS  HA     30 LYS  HN      4.13 #SUP  1.00
 29 SER  QB     30 LYS  HN      3.99 #SUP  0.98  #QF  0.98
 30 LYS  HN     30 LYS  HB2     2.92 #SUP  0.99  #QF  0.88
 30 LYS  HN     30 LYS  HG3     4.38 #SUP  0.56  #QF  0.56
 30 LYS  HN     33 LEU  QD1     4.84 #SUP  1.00
 28 LEU  HA     30 LYS  HN      4.99 #SUP  0.97  #QF  0.62
 30 LYS  HN     31 HIS  HB2     5.50 #SUP  0.99  #QF  0.99
 36 ALA  QB     38 GLU  HN      5.32 #SUP  0.81  #QF  0.81
 31 HIS  HN     32 GLN  HN      3.33 #SUP  1.00
 27 HIS  HA     31 HIS  HN      4.67 #SUP  0.95  #QF  0.95
 30 LYS  HG2    31 HIS  HN      4.73 #SUP  0.88  #QF  0.88
 22 PHE  HZ     31 HIS  HN      5.29 #SUP  1.00
 31 HIS  HN     31 HIS  HB3     2.91 #SUP  0.99  #QF  0.99
 31 HIS  HN     31 HIS  HB2     3.15 #SUP  1.00
 30 LYS  HB3    31 HIS  HN      3.33 #SUP  0.97  #QF  0.97
 28 LEU  QD1    31 HIS  HN      4.54 #SUP  0.99  #QF  0.99
 32 GLN  HN     33 LEU  HN      3.25 #SUP  1.00
 33 LEU  HN     34 ILE  HN      3.26 #SUP  1.00
 31 HIS  HA     33 LEU  HN      4.33 #SUP  0.83  #QF  0.83
 31 HIS  HB3    33 LEU  HN      5.50 #SUP  0.99  #QF  0.98
 33 LEU  HN     35 HIS  HB2     5.50 #SUP  0.99  #QF  0.98
 32 GLN  QG     33 LEU  HN      4.37 #SUP  1.00
 32 GLN  HB2    33 LEU  HN      3.88 #SUP  0.97  #QF  0.97
 33 LEU  HN     33 LEU  HG      2.77 #SUP  0.63  #QF  0.63
 33 LEU  HN     33 LEU  HB3     3.67 #SUP  1.00
 33 LEU  HN     33 LEU  QD2     3.68 #SUP  0.99  #QF  0.99
 33 LEU  HN     34 ILE  QG2     4.83 #SUP  1.00
 13 PHE  QB     24 HIS  HN      4.89 #SUP  0.71  #QF  0.71
 24 HIS  HN     24 HIS  HB2     3.77 #SUP  0.98  #QF  0.32
 22 PHE  HB3    24 HIS  HN      3.74 #SUP  0.59  #QF  0.59
 24 HIS  HN     27 HIS  HB2     3.81 #SUP  0.67  #QF  0.67
 24 HIS  HN     24 HIS  HB3     3.88 #SUP  0.99  #QF  0.99
 35 HIS  HN     36 ALA  HA      5.28 #SUP  1.00
 33 LEU  HA     35 HIS  HN      4.38 #SUP  1.00
 32 GLN  HA     35 HIS  HN      3.88 #SUP  1.00
 35 HIS  HN     35 HIS  HB2     3.18 #SUP  0.98  #QF  0.98
 32 GLN  HB3    35 HIS  HN      5.21 #SUP  0.90  #QF  0.90
 33 LEU  HB2    35 HIS  HN      5.47 #SUP  0.67  #QF  0.67
 35 HIS  HN     36 ALA  QB      4.27 #SUP  1.00
 34 ILE  HG12   35 HIS  HN      4.20 #SUP  1.00
 34 ILE  HG13   35 HIS  HN      4.18 #SUP  1.00
 34 ILE  QG2    35 HIS  HN      4.01 #SUP  1.00
 15 CYSS HN     20 LYS  HN      4.34 #SUP  1.00
 15 CYSS HN     21 THR  HB      5.50 #SUP  0.90  #QF  0.90
 15 CYSS HN     20 LYS  HB2     5.16 #SUP  0.99  #QF  0.99
 14 LYS  HN     15 CYSS HN      4.34 #SUP  1.00
 15 CYSS HN     22 PHE  QD      4.60 #SUP  1.00
 15 CYSS HN     22 PHE  QE      4.04 #SUP  0.99  #QF  0.99
 14 LYS  HA     15 CYSS HN      2.79 #SUP  0.97  #QF  0.97
 15 CYSS HN     19 GLY  HA1     5.16 #SUP  1.00
 14 LYS  QD     15 CYSS HN      5.08 #SUP  1.00
 14 LYS  QG     15 CYSS HN      3.30 #SUP  0.88  #QF  0.88
 36 ALA  QB     37 GLY  HN      4.34 #SUP  1.00
 36 ALA  HN     37 GLY  HN      4.65 #SUP  0.96  #QF  0.96
 13 PHE  HN     22 PHE  HN      3.91 #SUP  0.99  #QF  0.99
 13 PHE  HN     23 SER  HA      4.70 #SUP  0.98  #QF  0.98
 12 PRO  HD2    13 PHE  HN      3.69 #SUP  1.00
 11 HIS  HB3    13 PHE  HN      3.13 #SUP  0.94  #QF  0.36
 11 HIS  HB2    13 PHE  HN      4.62 #SUP  0.97  #QF  0.97
 12 PRO  HB2    13 PHE  HN      3.86 #SUP  0.93  #QF  0.93
 13 PHE  HN     21 THR  HA      5.04 #SUP  1.00
 13 PHE  HN     13 PHE  QD      3.42 #SUP  1.00
 32 GLN  HN     34 ILE  HN      4.87 #SUP  0.99  #QF  0.99
 34 ILE  HN     35 HIS  HD2     5.43 #SUP  1.00
 34 ILE  HN     35 HIS  HB2     4.81 #SUP  0.98  #QF  0.98
 33 LEU  HB2    34 ILE  HN      3.83 #SUP  0.98  #QF  0.98
 12 PRO  HG2    13 PHE  HN      3.14 #SUP  0.43  #QF  0.43
 33 LEU  HB3    34 ILE  HN      4.21 #SUP  0.99  #QF  0.99
 34 ILE  HN     34 ILE  HG12    3.37 #SUP  1.00
 15 CYSS HN     22 PHE  HN      5.16 #SUP  1.00
 21 THR  HN     22 PHE  HN      5.01 #SUP  0.99  #QF  0.99
 22 PHE  HN     22 PHE  QD      3.36 #SUP  0.99  #QF  0.99
 22 PHE  HN     22 PHE  QE      4.58 #SUP  1.00
 14 LYS  HA     22 PHE  HN      4.05 #SUP  0.98  #QF  0.98
 22 PHE  HN     22 PHE  HB3     4.06 #SUP  1.00
 22 PHE  HN     27 HIS  HB2     5.50 #SUP  0.90  #QF  0.90
 11 HIS  HB3    22 PHE  HN      4.02 #SUP  0.89  #QF  0.48
 13 PHE  QB     22 PHE  HN      4.16 #SUP  0.89  #QF  0.48
 11 HIS  HB2    22 PHE  HN      4.27 #SUP  0.99  #QF  0.99
 22 PHE  HN     22 PHE  HB2     3.53 #SUP  1.00
 14 LYS  HB2    22 PHE  HN      5.33 #SUP  0.99  #QF  0.99
 25 SER  HA     27 HIS  HN      4.62 #SUP  0.68  #QF  0.68
 27 HIS  HN     27 HIS  HB2     3.20 #SUP  0.84  #QF  0.84
 24 HIS  HB2    27 HIS  HN      3.73 #SUP  0.91  #QF  0.91
 24 HIS  HB3    27 HIS  HN      3.76 #SUP  0.94  #QF  0.94
 27 HIS  HN     28 LEU  HB3     4.71 #SUP  0.72  #QF  0.72
 27 HIS  HN     29 SER  HN      4.56 #SUP  0.97  #QF  0.97
 27 HIS  HN     28 LEU  HB2     5.34 #SUP  0.99  #QF  0.99
 30 LYS  HN     32 GLN  HN      4.72 #SUP  0.95  #QF  0.95
 31 HIS  HD2    32 GLN  HN      4.06 #SUP  1.00
 30 LYS  HA     32 GLN  HN      4.55 #SUP  0.98  #QF  0.98
 31 HIS  HB3    32 GLN  HN      3.49 #SUP  1.00
 32 GLN  HN     32 GLN  QG      3.08 #SUP  0.99  #QF  0.99
 32 GLN  HN     32 GLN  HB2     3.12 #SUP  0.99  #QF  0.99
 32 GLN  HN     33 LEU  HG      4.31 #SUP  0.63  #QF  0.63
 28 LEU  HG     32 GLN  HN      5.08 #SUP  0.99  #QF  0.99
 28 LEU  QD1    32 GLN  HN      4.12 #SUP  1.00
 29 SER  HN     31 HIS  HN      4.93 #SUP  0.85  #QF  0.85
 29 SER  HN     30 LYS  HN      3.52 #SUP  0.88  #QF  0.88
 28 LEU  HN     29 SER  HN      3.31 #SUP  0.98  #QF  0.98
 28 LEU  HB3    29 SER  HN      3.36 #SUP  0.99  #QF  0.99
 28 LEU  HG     29 SER  HN      4.11 #SUP  1.00
 28 LEU  HB2    29 SER  HN      3.87 #SUP  0.98  #QF  0.98
 13 PHE  HN     14 LYS  HN      4.42 #SUP  0.93  #QF  0.93
 13 PHE  QD     14 LYS  HN      4.56 #SUP  0.98  #QF  0.98
 13 PHE  QB     14 LYS  HN      3.72 #SUP  0.93  #QF  0.93
 14 LYS  HN     14 LYS  HB3     3.30 #SUP  0.99  #QF  0.99
 14 LYS  HN     14 LYS  HB2     3.45 #SUP  0.99  #QF  0.99
 14 LYS  HN     28 LEU  QD2     3.52 #SUP  0.91  #QF  0.91
 18 CYSS HN     35 HIS  HD2     5.21 #SUP  0.99  #QF  0.99
 18 CYSS HN     19 GLY  HA1     4.27 #SUP  0.97  #QF  0.97
 17 GLU  HN     18 CYSS HN      3.07 #SUP  1.00
 16 ASN  HA     18 CYSS HN      4.53 #SUP  0.88  #QF  0.88
 15 CYSS HB3    18 CYSS HN      3.46 #SUP  0.60  #QF  0.60
 18 CYSS HN     18 CYSS HB3     3.49 #SUP  0.97  #QF  0.97
 17 GLU  HG3    18 CYSS HN      4.78 #SUP  0.96  #QF  0.96
 17 GLU  HG2    18 CYSS HN      4.78 #SUP  1.00
 17 GLU  QB     18 CYSS HN      3.08 #SUP  0.99  #QF  0.99
 14 LYS  HN     21 THR  HA      5.19 #SUP  1.00
 17 GLU  HN     19 GLY  HN      3.96 #SUP  1.00
 19 GLY  HN     19 GLY  HA1     2.78 #SUP  0.99  #QF  0.99
 15 CYSS HB3    19 GLY  HN      3.49 #SUP  0.99  #QF  0.99
 19 GLY  HN     20 LYS  HB2     4.06 #SUP  0.49  #QF  0.49
 15 CYSS HN     19 GLY  HN      4.79 #SUP  1.00
 16 ASN  HA     19 GLY  HN      4.30 #SUP  0.96  #QF  0.96
 18 CYSS HB3    19 GLY  HN      4.01 #SUP  0.94  #QF  0.94
 14 LYS  QD     19 GLY  HN      5.50 #SUP  0.69  #QF  0.21
 14 LYS  QG     19 GLY  HN      4.82 #SUP  0.99  #QF  0.99
 16 ASN  QB     16 ASN  HD21    3.98 #SUP  0.98  #QF  0.98
 16 ASN  QB     16 ASN  HD22    3.98 #SUP  0.99  #QF  0.99
 20 LYS  HN     22 PHE  QE      4.94 #SUP  0.99  #QF  0.99
 20 LYS  HN     22 PHE  HZ      5.50 #SUP  1.00
 18 CYSS HA     20 LYS  HN      5.21 #SUP  0.97  #QF  0.97
 15 CYSS HA     20 LYS  HN      5.39 #SUP  0.91  #QF  0.91
 20 LYS  HN     20 LYS  HB2     3.11 #SUP  1.00
 20 LYS  HN     20 LYS  HB3     3.58 #SUP  1.00
 20 LYS  HN     20 LYS  HG2     4.17 #SUP  0.97  #QF  0.97
 15 CYSS HA     32 GLN  HE22    4.72 #SUP  0.95  #QF  0.95
 32 GLN  QG     32 GLN  HE22    3.80 #SUP  0.99  #QF  0.99
 28 LEU  HG     32 GLN  HE22    5.02 #SUP  0.96  #QF  0.96
 15 CYSS HA     32 GLN  HE21    4.72 #SUP  0.90  #QF  0.90
 32 GLN  QG     32 GLN  HE21    3.80 #SUP  1.00
 28 LEU  HG     32 GLN  HE21    5.02 #SUP  0.99  #QF  0.99
 28 LEU  QD1    32 GLN  HE21    4.18 #SUP  0.69  #QF  0.42
 33 LEU  HA     36 ALA  HN      4.15 #SUP  0.93  #QF  0.93
 35 HIS  HB3    36 ALA  HN      4.31 #SUP  0.99  #QF  0.99
 35 HIS  HB2    36 ALA  HN      4.00 #SUP  0.97  #QF  0.97
 36 ALA  HN     36 ALA  QB      3.05 #SUP  1.00
 33 LEU  QD2    36 ALA  HN      5.50 #SUP  0.95  #QF  0.86
 34 ILE  HG13   36 ALA  HN      5.50 #SUP  0.95  #QF  0.86
 35 HIS  HN     36 ALA  HN      3.15 #SUP  1.00
 34 ILE  HN     35 HIS  HN      3.18 #SUP  1.00
 18 CYSS HN     19 GLY  HN      2.83 #SUP  0.94  #QF  0.83
 19 GLY  HN     20 LYS  HN      3.04 #SUP  0.94  #QF  0.83
 11 HIS  HD2    23 SER  HA      4.66 #SUP  0.99  #QF  0.99
 10 GLU  HA     11 HIS  HD2     5.30 #SUP  0.85  #QF  0.68
 11 HIS  HD2    21 THR  QG2     5.50 #SUP  0.89  #QF  0.89
 24 HIS  HA     24 HIS  HD2     4.83 #SUP  0.99  #QF  0.99
 27 HIS  HA     27 HIS  HD2     3.47 #SUP  0.63  #QF  0.63
 24 HIS  HB2    27 HIS  HD2     5.45 #SUP  0.94  #QF  0.94
 26 ALA  QB     27 HIS  HD2     4.40 #SUP  0.91  #QF  0.91
 18 CYSS HA     35 HIS  HE1     4.50 #SUP  0.98  #QF  0.98
 18 CYSS HB2    35 HIS  HE1     3.78 #SUP  0.99  #QF  0.99
 18 CYSS HB3    35 HIS  HE1     3.14 #SUP  0.99  #QF  0.99
 17 GLU  QB     35 HIS  HE1     4.38 #SUP  0.87  #QF  0.77
 20 LYS  HB2    31 HIS  HE1     4.95 #SUP  0.87  #QF  0.77
 20 LYS  HD2    31 HIS  HE1     3.64 #SUP  0.71  #QF  0.50
 31 HIS  HE1    34 ILE  HG12    4.62 #SUP  0.99  #QF  0.99
 11 HIS  HB3    11 HIS  HE1     5.03 #SUP  0.86  #QF  0.86
 14 LYS  HA     22 PHE  QD      4.46 #SUP  1.00
 22 PHE  QD     27 HIS  HB3     3.41 #SUP  0.97  #QF  0.92
 22 PHE  QD     28 LEU  HB3     4.57 #SUP  1.00
 20 LYS  HD3    22 PHE  QD      5.41 #SUP  0.99  #QF  0.87
 22 PHE  QD     28 LEU  HG      5.50 #SUP  0.99  #QF  0.87
 22 PHE  QD     28 LEU  HB2     3.79 #SUP  0.98  #QF  0.98
 21 THR  HB     22 PHE  QD      4.87 #SUP  0.99  #QF  0.99
 13 PHE  QB     22 PHE  QD      4.00 #SUP  0.96  #QF  0.96
 13 PHE  QD     22 PHE  HN      5.20 #SUP  1.00
 13 PHE  HN     13 PHE  QE      4.80 #SUP  1.00
 13 PHE  QE     25 SER  HA      3.81 #SUP  0.79  #QF  0.79
 13 PHE  QE     28 LEU  QD2     4.43 #SUP  0.96  #QF  0.96
 13 PHE  QE     24 HIS  HA      4.12 #SUP  0.93  #QF  0.93
 13 PHE  QE     25 SER  HB2     4.35 #SUP  1.00
 13 PHE  QD     25 SER  HB3     4.95 #SUP  0.95  #QF  0.95
 13 PHE  QD     24 HIS  HA      4.27 #SUP  0.93  #QF  0.93
 12 PRO  HG3    13 PHE  QD      4.66 #SUP  0.99  #QF  0.99
 15 CYSS HN     21 THR  HA      3.74 #SUP  1.00
 21 THR  HA     22 PHE  QD      3.66 #SUP  1.00
 21 THR  HA     22 PHE  QE      4.38 #SUP  1.00
 14 LYS  HA     21 THR  HA      3.01 #SUP  0.98  #QF  0.98
 14 LYS  HB2    21 THR  HA      4.15 #SUP  1.00
 21 THR  HA     21 THR  QG2     3.00 #SUP  0.99  #QF  0.99
 21 THR  HA     22 PHE  HN      2.91 #SUP  1.00
 13 PHE  QB     21 THR  HA      4.51 #SUP  0.53  #QF  0.53
 11 HIS  HB2    21 THR  HA      4.35 #SUP  0.98  #QF  0.98
 21 THR  HA     22 PHE  HB2     4.96 #SUP  1.00
 21 THR  HN     22 PHE  QE      4.92 #SUP  0.98  #QF  0.91
 14 LYS  HA     22 PHE  QE      4.97 #SUP  1.00
 15 CYSS HB3    22 PHE  QE      3.85 #SUP  0.99  #QF  0.99
 22 PHE  QE     28 LEU  HA      4.23 #SUP  0.95  #QF  0.43
 22 PHE  QE     31 HIS  HB3     4.57 #SUP  0.95  #QF  0.43
 15 CYSS HB2    22 PHE  QE      3.40 #SUP  1.00  #QF  0.97
 20 LYS  HB2    22 PHE  QE      3.91 #SUP  0.94  #QF  0.94
 22 PHE  QE     28 LEU  HB2     4.47 #SUP  0.96  #QF  0.96
 22 PHE  QE     28 LEU  QD1     3.57 #SUP  0.99  #QF  0.99
 13 PHE  QD     13 PHE  HZ      3.81 #SUP  0.99  #QF  0.99
 13 PHE  HZ     24 HIS  HA      4.83 #SUP  0.96  #QF  0.96
 13 PHE  HZ     25 SER  HB3     4.48 #SUP  1.00
 13 PHE  HZ     25 SER  HB2     4.48 #SUP  1.00
 13 PHE  HZ     25 SER  HA      4.67 #SUP  0.96  #QF  0.96
 12 PRO  HB2    13 PHE  HZ      5.07 #SUP  0.99  #QF  0.99
 17 GLU  HA     18 CYSS HA      4.94 #SUP  0.96  #QF  0.84
 18 CYSS HA     19 GLY  HA2     5.30 #SUP  0.96  #QF  0.84
 18 CYSS HA     19 GLY  HA1     5.14 #SUP  0.99  #QF  0.99
 18 CYSS HA     18 CYSS HB2     2.85 #SUP  1.00
 18 CYSS HA     18 CYSS HB3     2.91 #SUP  1.00
 17 GLU  QB     18 CYSS HA      4.48 #SUP  1.00
 22 PHE  HZ     31 HIS  HE1     4.62 #SUP  1.00
 22 PHE  QD     22 PHE  HZ      4.15 #SUP  1.00
 22 PHE  HZ     31 HIS  HB3     4.06 #SUP  0.99  #QF  0.99
 22 PHE  HZ     31 HIS  HB2     3.71 #SUP  1.00
 20 LYS  HD3    22 PHE  HZ      3.71 #SUP  0.99  #QF  0.99
 20 LYS  HB3    22 PHE  HZ      3.88 #SUP  1.00
 17 GLU  HG3    35 HIS  HD2     4.94 #SUP  1.00
 17 GLU  HG2    35 HIS  HD2     4.94 #SUP  0.89  #QF  0.89
 35 HIS  HB3    35 HIS  HD2     3.86 #SUP  1.00
 35 HIS  HB2    35 HIS  HD2     3.24 #SUP  0.98  #QF  0.98
 32 GLN  HB3    35 HIS  HD2     4.59 #SUP  0.99  #QF  0.99
 32 GLN  QG     35 HIS  HD2     3.79 #SUP  0.99  #QF  0.99
 17 GLU  QB     35 HIS  HD2     3.75 #SUP  0.98  #QF  0.98
 34 ILE  HG12   35 HIS  HD2     4.90 #SUP  0.86  #QF  0.38
 15 CYSS HN     31 HIS  HD2     5.14 #SUP  1.00
 31 HIS  HN     31 HIS  HD2     4.83 #SUP  0.98  #QF  0.98
 31 HIS  HD2    35 HIS  HD2     3.75 #SUP  0.83  #QF  0.83
 22 PHE  HZ     31 HIS  HD2     4.49 #SUP  0.99  #QF  0.99
 15 CYSS HA     31 HIS  HD2     4.59 #SUP  1.00
 31 HIS  HD2    32 GLN  HA      3.56 #SUP  0.99  #QF  0.99
 15 CYSS HB3    31 HIS  HD2     4.17 #SUP  0.98  #QF  0.98
 31 HIS  HB3    31 HIS  HD2     3.45 #SUP  0.98  #QF  0.98
 15 CYSS HB2    31 HIS  HD2     2.94 #SUP  0.73  #QF  0.73
 31 HIS  HD2    32 GLN  HB2     5.50 #SUP  0.93  #QF  0.93
 20 LYS  HD3    31 HIS  HD2     5.50 #SUP  0.99  #QF  0.51
 28 LEU  HG     31 HIS  HD2     5.50 #SUP  0.99  #QF  0.51
 21 THR  HB     22 PHE  HN      3.15 #SUP  1.00
 13 PHE  HN     21 THR  HB      4.98 #SUP  0.99  #QF  0.99
 21 THR  HN     21 THR  HB      3.95 #SUP  1.00
 11 HIS  HD2    21 THR  HB      4.87 #SUP  0.96  #QF  0.96
 21 THR  HA     21 THR  HB      2.84 #SUP  1.00
 14 LYS  HA     21 THR  HB      4.15 #SUP  1.00
 11 HIS  HB2    21 THR  HB      3.26 #SUP  0.99  #QF  0.99
 14 LYS  HB2    21 THR  HB      4.45 #SUP  1.00
 28 LEU  QD1    29 SER  HN      4.49 #SUP  0.97  #QF  0.52
 22 PHE  HZ     28 LEU  QD1     4.77 #SUP  1.00
 14 LYS  HA     28 LEU  QD1     4.40 #SUP  1.00
 28 LEU  QD1    29 SER  QB      5.12 #SUP  0.97  #QF  0.97
 28 LEU  QD1    32 GLN  HA      4.66 #SUP  1.00
 15 CYSS HN     28 LEU  QD1     3.98 #SUP  1.00
 14 LYS  HN     28 LEU  QD1     4.37 #SUP  0.94  #QF  0.94
 28 LEU  QD1    32 GLN  HE22    4.18 #SUP  0.97  #QF  0.97
 22 PHE  QD     28 LEU  QD1     3.29 #SUP  1.00
 28 LEU  QD1    31 HIS  HD2     3.16 #SUP  0.65  #QF  0.65
 21 THR  HA     28 LEU  QD1     4.90 #SUP  1.00
 15 CYSS HA     28 LEU  QD1     3.23 #SUP  0.95  #QF  0.95
 28 LEU  HA     28 LEU  QD1     3.03 #SUP  0.99  #QF  0.99
 22 PHE  HB2    28 LEU  QD1     4.53 #SUP  1.00
 33 LEU  HA     33 LEU  QD2     2.77 #SUP  1.00
 32 GLN  HB2    33 LEU  QD2     4.67 #SUP  0.74  #QF  0.74
 33 LEU  HB3    33 LEU  QD2     3.01 #SUP  0.95  #QF  0.95
 14 LYS  QG     19 GLY  HA2     4.55 #SUP  0.99  #QF  0.99
 14 LYS  QD     19 GLY  HA1     4.13 #SUP  0.98  #QF  0.98
 14 LYS  QG     19 GLY  HA1     3.59 #SUP  0.98  #QF  0.98
  7 GLY  QA      8 THR  QG2     4.65 #SUP  0.46  #QF  0.46
 21 THR  HN     21 THR  QG2     3.46 #SUP  0.99  #QF  0.99
 14 LYS  HA     21 THR  QG2     3.27 #SUP  0.94  #QF  0.94
 14 LYS  QE     21 THR  QG2     4.32 #SUP  0.33  #QF  0.33
 15 CYSS HN     21 THR  QG2     4.00 #SUP  0.97  #QF  0.97
 21 THR  QG2    22 PHE  HN      3.98 #SUP  1.00
 13 PHE  HN     21 THR  QG2     5.11 #SUP  0.94  #QF  0.94
 22 PHE  HB3    28 LEU  HN      4.44 #SUP  0.99  #QF  0.99
 22 PHE  HB3    27 HIS  HA      4.88 #SUP  0.98  #QF  0.98
 22 PHE  HB3    27 HIS  HB2     3.36 #SUP  0.97  #QF  0.90
 13 PHE  QB     22 PHE  HB3     4.28 #SUP  1.00
 22 PHE  HB3    28 LEU  HB2     4.53 #SUP  1.00
 22 PHE  HB3    28 LEU  QD1     5.50 #SUP  0.70  #QF  0.70
 13 PHE  HN     22 PHE  HB2     5.24 #SUP  1.00
 22 PHE  HB2    28 LEU  HN      4.44 #SUP  0.94  #QF  0.94
 22 PHE  HB2    27 HIS  HB2     3.68 #SUP  0.96  #QF  0.96
 13 PHE  QB     22 PHE  HB2     3.25 #SUP  0.99  #QF  0.99
 22 PHE  HB2    28 LEU  HB3     4.38 #SUP  1.00
 22 PHE  HB2    28 LEU  HB2     3.75 #SUP  0.99  #QF  0.99
 33 LEU  HN     36 ALA  QB      5.37 #SUP  0.99  #QF  0.99
 33 LEU  HA     36 ALA  QB      3.18 #SUP  0.70  #QF  0.70
 30 LYS  QE     33 LEU  QD1     5.03 #SUP  0.99  #QF  0.99
 30 LYS  HA     30 LYS  QE      5.50 #SUP  0.99  #QF  0.84
 14 LYS  QE     20 LYS  HN      5.03 #SUP  0.92  #QF  0.92
 14 LYS  QD     14 LYS  QE      3.00 #SUP  0.99  #QF  0.97
 14 LYS  QE     19 GLY  HA2     3.89 #SUP  1.00
 26 ALA  QB     29 SER  HN      5.24 #SUP  0.96  #QF  0.96
 26 ALA  QB     27 HIS  HE1     4.96 #SUP  1.00
 26 ALA  QB     27 HIS  HN      3.66 #SUP  0.97  #QF  0.97
 26 ALA  QB     27 HIS  HB2     4.71 #SUP  0.99  #QF  0.99
 24 HIS  HB2    26 ALA  QB      4.27 #SUP  0.98  #QF  0.98
 14 LYS  QE     19 GLY  HN      4.66 #SUP  1.00
 14 LYS  QE     16 ASN  HA      4.51 #SUP  0.89  #QF  0.89
 14 LYS  QE     19 GLY  HA1     3.54 #SUP  0.99  #QF  0.99
 14 LYS  QG     14 LYS  QE      3.09 #SUP  0.92  #QF  0.92
 33 LEU  HN     33 LEU  HB2     3.16 #SUP  0.99  #QF  0.99
 33 LEU  HB2    33 LEU  QD1     3.23 #SUP  0.91  #QF  0.91
 33 LEU  HB3    33 LEU  QD1     3.27 #SUP  0.95  #QF  0.95
 28 LEU  HN     28 LEU  HB3     3.34 #SUP  1.00
 25 SER  HB3    28 LEU  HB3     5.40 #SUP  0.97  #QF  0.97
 13 PHE  QB     28 LEU  HB3     3.78 #SUP  0.98  #QF  0.63
 28 LEU  HN     28 LEU  HB2     3.60 #SUP  1.00
 13 PHE  QB     28 LEU  HB2     3.44 #SUP  0.93  #QF  0.93
 34 ILE  QG2    35 HIS  HD2     5.11 #SUP  0.94  #QF  0.94
 31 HIS  HE1    34 ILE  QG2     4.78 #SUP  0.99  #QF  0.99
 34 ILE  HN     34 ILE  QG2     3.21 #SUP  1.00
 32 GLN  HA     34 ILE  QG2     5.09 #SUP  1.00
 32 GLN  HB2    34 ILE  QG2     5.50 #SUP  0.83  #QF  0.83
 33 LEU  HB2    34 ILE  QG2     4.51 #SUP  0.78  #QF  0.78
 33 LEU  HB3    34 ILE  QG2     4.49 #SUP  0.98  #QF  0.98
 13 PHE  QD     28 LEU  HB3     4.54 #SUP  0.93  #QF  0.47
 28 LEU  HB3    29 SER  HA      4.66 #SUP  0.98  #QF  0.98
 25 SER  HB2    28 LEU  HB3     5.40 #SUP  0.95  #QF  0.37
 27 HIS  HB2    28 LEU  HB3     5.50 #SUP  0.95  #QF  0.37
 13 PHE  HN     13 PHE  QB      3.31 #SUP  0.95  #QF  0.95
 13 PHE  QB     28 LEU  HG      4.64 #SUP  1.00
 12 PRO  HA     13 PHE  HN      3.47 #SUP  1.00
 12 PRO  HA     13 PHE  QD      5.31 #SUP  1.00
 33 LEU  HN     34 ILE  HA      5.35 #SUP  1.00
 39 ASN  HN     40 PRO  HA      5.10 #SUP  0.37  #QF  0.37
 34 ILE  HA     36 ALA  HN      4.67 #SUP  0.93  #QF  0.93
 34 ILE  HA     34 ILE  HB      2.79 #SUP  1.00
 33 LEU  HB3    34 ILE  HA      4.75 #SUP  1.00
 34 ILE  HA     34 ILE  HG13    3.69 #SUP  0.97  #QF  0.97
 34 ILE  HA     34 ILE  QG2     2.93 #SUP  0.99  #QF  0.99
 16 ASN  HA     16 ASN  QB      2.74 #SUP  0.89  #QF  0.89
 16 ASN  QB     17 GLU  HA      4.31 #SUP  0.99  #QF  0.99
 16 ASN  QB     17 GLU  QB      5.17 #SUP  1.00
 29 SER  HA     32 GLN  HB2     4.56 #SUP  0.88  #QF  0.88
 29 SER  HA     33 LEU  HG      5.15 #SUP  0.29  #QF  0.29
 28 LEU  HG     29 SER  HA      4.34 #SUP  0.97  #QF  0.97
 29 SER  HA     29 SER  QB      2.60 #SUP  0.98  #QF  0.98
 29 SER  HA     32 GLN  QG      4.74 #SUP  0.88  #QF  0.88
 31 HIS  HE1    34 ILE  QD1     3.19 #SUP  0.94  #QF  0.94
 34 ILE  HN     34 ILE  QD1     3.98 #SUP  1.00
 34 ILE  QD1    35 HIS  HN      4.79 #SUP  1.00
 34 ILE  HA     34 ILE  QD1     4.39 #SUP  1.00
 31 HIS  HB2    34 ILE  QD1     4.75 #SUP  0.93  #QF  0.93
 34 ILE  HB     34 ILE  QD1     3.05 #SUP  0.99  #QF  0.99
 29 SER  HN     29 SER  QB      3.24 #SUP  0.91  #QF  0.91
 28 LEU  HB3    29 SER  QB      4.49 #SUP  0.74  #QF  0.74
 28 LEU  HG     29 SER  QB      4.21 #SUP  0.92  #QF  0.92
 29 SER  QB     33 LEU  QD1     5.50 #SUP  0.89  #QF  0.86
 13 PHE  QE     25 SER  HB3     4.35 #SUP  1.00  #QF  0.99
 13 PHE  QD     25 SER  HB2     4.95 #SUP  1.00
  8 THR  HA      8 THR  QG2     3.36 #SUP  0.95  #QF  0.95
 34 ILE  HN     34 ILE  HB      3.81 #SUP  1.00
 34 ILE  HB     35 HIS  HN      4.22 #SUP  1.00
 25 SER  HA     29 SER  HN      4.23 #SUP  1.00
 13 PHE  QD     25 SER  HA      3.95 #SUP  0.91  #QF  0.91
 25 SER  HA     28 LEU  HN      3.88 #SUP  0.97  #QF  0.97
 25 SER  HA     28 LEU  HB3     3.37 #SUP  0.96  #QF  0.96
 25 SER  HA     28 LEU  HG      4.98 #SUP  1.00
 25 SER  HA     28 LEU  HB2     3.74 #SUP  0.78  #QF  0.78
 38 GLU  HA     38 GLU  HG3     4.10 #SUP  1.00
 10 GLU  HA     10 GLU  HG3     4.17 #SUP  1.00
 14 LYS  HB3    15 CYSS HN      4.45 #SUP  1.00
 14 LYS  HB3    21 THR  HA      4.90 #SUP  1.00
 14 LYS  HB3    14 LYS  QE      4.32 #SUP  0.99  #QF  0.99
 14 LYS  HB2    15 CYSS HN      4.54 #SUP  1.00
 14 LYS  HB2    14 LYS  QE      4.52 #SUP  0.99  #QF  0.99
 14 LYS  HB2    21 THR  QG2     3.45 #SUP  1.00  #QF  0.98
 13 PHE  QD     23 SER  HA      4.21 #SUP  0.98  #QF  0.85
 11 HIS  HB3    23 SER  HA      4.07 #SUP  0.99  #QF  0.99
 12 PRO  HG2    23 SER  HA      4.85 #SUP  1.00
 17 GLU  HN     17 GLU  HG3     4.07 #SUP  1.00
 17 GLU  HG3    35 HIS  HB3     5.11 #SUP  1.00
 16 ASN  QB     17 GLU  HG3     4.67 #SUP  0.79  #QF  0.79
 17 GLU  HG2    35 HIS  HB2     5.05 #SUP  1.00
 16 ASN  QB     17 GLU  HG2     4.67 #SUP  1.00
 28 LEU  HB3    32 GLN  QG      5.50 #SUP  0.96  #QF  0.62
 31 HIS  HN     32 GLN  HA      5.30 #SUP  1.00
 31 HIS  HA     32 GLN  HA      4.76 #SUP  0.84  #QF  0.84
 32 GLN  HA     33 LEU  HA      4.86 #SUP  0.99  #QF  0.99
 32 GLN  HA     35 HIS  HB3     5.22 #SUP  0.99  #QF  0.99
 32 GLN  HA     35 HIS  HB2     3.93 #SUP  1.00
 32 GLN  HA     36 ALA  QB      5.50 #SUP  0.92  #QF  0.92
 31 HIS  HD2    32 GLN  QG      3.56 #SUP  0.98  #QF  0.98
 15 CYSS HA     32 GLN  QG      5.01 #SUP  1.00
 29 SER  QB     32 GLN  QG      4.52 #SUP  1.00
 28 LEU  HA     32 GLN  QG      4.48 #SUP  0.93  #QF  0.86
 31 HIS  HB3    32 GLN  QG      4.83 #SUP  0.93  #QF  0.86
 28 LEU  HG     32 GLN  QG      3.69 #SUP  0.99  #QF  0.99
 28 LEU  QD1    32 GLN  QG      3.26 #SUP  0.98  #QF  0.98
 22 PHE  HZ     31 HIS  HA      5.11 #SUP  1.00
 31 HIS  HA     34 ILE  HB      5.17 #SUP  1.00
 32 GLN  HA     34 ILE  HN      4.15 #SUP  1.00
 32 GLN  HA     35 HIS  HD2     3.14 #SUP  1.00
 32 GLN  HA     32 GLN  QG      3.03 #SUP  1.00
 32 GLN  HA     34 ILE  HG12    5.03 #SUP  0.93  #QF  0.77
 31 HIS  HA     34 ILE  HN      4.15 #SUP  1.00
 31 HIS  HA     31 HIS  HD2     4.76 #SUP  0.70  #QF  0.70
 31 HIS  HA     31 HIS  HB2     2.86 #SUP  1.00
 30 LYS  HB3    31 HIS  HA      4.23 #SUP  0.97  #QF  0.97
 30 LYS  HG2    31 HIS  HA      4.81 #SUP  0.88  #QF  0.88
 31 HIS  HA     34 ILE  HG12    4.49 #SUP  0.99  #QF  0.99
 31 HIS  HA     34 ILE  QD1     4.08 #SUP  1.00
 31 HIS  HA     34 ILE  QG2     3.95 #SUP  0.99  #QF  0.99
 30 LYS  HA     33 LEU  HN      4.09 #SUP  0.92  #QF  0.92
 30 LYS  HA     30 LYS  HB2     2.68 #SUP  0.97  #QF  0.97
 30 LYS  HA     30 LYS  QD      4.04 #SUP  1.00
 17 GLU  HA     17 GLU  HG3     3.69 #SUP  0.99  #QF  0.99
 17 GLU  HA     17 GLU  HG2     3.69 #SUP  1.00
 17 GLU  HA     17 GLU  QB      2.79 #SUP  0.99  #QF  0.99
 20 LYS  HA     21 THR  HN      2.64 #SUP  0.98  #QF  0.98
 20 LYS  HA     21 THR  HA      4.57 #SUP  0.99  #QF  0.99
 20 LYS  HA     20 LYS  HG2     4.05 #SUP  1.00
 19 GLY  HA2    20 LYS  HA      4.73 #SUP  0.55  #QF  0.55
 28 LEU  HA     31 HIS  HN      3.91 #SUP  0.89  #QF  0.89
 22 PHE  QD     28 LEU  HA      3.93 #SUP  1.00
 28 LEU  HA     29 SER  QB      5.50 #SUP  0.99  #QF  0.70
 28 LEU  HA     31 HIS  HA      5.50 #SUP  0.99  #QF  0.70
 28 LEU  HA     31 HIS  HB2     4.16 #SUP  0.93  #QF  0.93
 22 PHE  HB2    28 LEU  HA      4.61 #SUP  1.00
 28 LEU  HA     28 LEU  HG      3.88 #SUP  1.00
 20 LYS  HB2    21 THR  HN      4.12 #SUP  1.00
 20 LYS  HB2    22 PHE  HZ      4.24 #SUP  1.00
 20 LYS  HB3    22 PHE  QE      3.92 #SUP  1.00
 32 GLN  HB2    33 LEU  HA      4.74 #SUP  0.77  #QF  0.77
 33 LEU  HA     33 LEU  HB3     2.87 #SUP  0.98  #QF  0.97
 24 HIS  HB2    27 HIS  HB2     4.74 #SUP  0.93  #QF  0.93
 24 HIS  HB3    27 HIS  HB2     4.71 #SUP  0.93  #QF  0.93
 24 HIS  HB3    25 SER  HA      5.02 #SUP  0.23  #QF  0.23
 24 HIS  HB3    26 ALA  QB      4.88 #SUP  0.99  #QF  0.99
 27 HIS  HA     30 LYS  HB3     3.68 #SUP  0.96  #QF  0.92
 26 ALA  QB     27 HIS  HA      4.79 #SUP  0.99  #QF  0.99
  9 LYS  HA      9 LYS  QG      3.68 #SUP  0.97  #QF  0.97
 10 GLU  HA     10 GLU  HG2     4.17 #SUP  0.91  #QF  0.77
 17 GLU  QB     18 CYSS HB2     5.11 #SUP  0.99  #QF  0.99
 30 LYS  HB2    31 HIS  HN      3.79 #SUP  0.99  #QF  0.99
 27 HIS  HA     30 LYS  HB2     3.74 #SUP  0.84  #QF  0.84
 30 LYS  HB2    33 LEU  QD1     4.76 #SUP  1.00
 30 LYS  HN     30 LYS  HB3     3.27 #SUP  0.99  #QF  0.99
 30 LYS  HB3    33 LEU  QD1     4.87 #SUP  1.00
 38 GLU  HA     38 GLU  HG2     4.10 #SUP  0.98  #QF  0.98
 12 PRO  HB3    13 PHE  HN      4.46 #SUP  1.00
 12 PRO  HB3    13 PHE  QE      5.19 #SUP  1.00
 12 PRO  HB3    13 PHE  QD      5.21 #SUP  1.00
 12 PRO  HB2    13 PHE  QE      4.53 #SUP  1.00
 12 PRO  HB2    13 PHE  QD      4.46 #SUP  1.00
 12 PRO  HB2    13 PHE  QB      4.96 #SUP  0.92  #QF  0.92
 22 PHE  QD     27 HIS  HB2     3.55 #SUP  0.91  #QF  0.91
 14 LYS  QD     16 ASN  HA      5.02 #SUP  0.99  #QF  0.99
 14 LYS  QG     16 ASN  HA      4.77 #SUP  0.91  #QF  0.91
 11 HIS  HB3    21 THR  HB      3.63 #SUP  1.00
 11 HIS  HB3    21 THR  QG2     4.92 #SUP  1.00
 11 HIS  HB3    12 PRO  HG2     4.32 #SUP  0.98  #QF  0.98
 11 HIS  HB2    23 SER  HA      4.71 #SUP  0.99  #QF  0.99
 11 HIS  HB2    12 PRO  HD2     4.17 #SUP  0.99  #QF  0.99
 11 HIS  HB2    14 LYS  HB2     4.98 #SUP  0.90  #QF  0.90
 11 HIS  HB2    21 THR  QG2     4.15 #SUP  0.99  #QF  0.99
 26 ALA  HA     30 LYS  HB2     5.13 #SUP  0.55  #QF  0.55
 26 ALA  HA     29 SER  HN      4.33 #SUP  0.89  #QF  0.89
 26 ALA  HA     30 LYS  HN      4.48 #SUP  0.83  #QF  0.83
 10 GLU  HB3    11 HIS  HN      5.28 #SUP  1.00
 10 GLU  HB2    11 HIS  HN      5.28 #SUP  1.00
 15 CYSS HN     15 CYSS HB3     3.02 #SUP  1.00
 15 CYSS HB3    20 LYS  HN      3.21 #SUP  0.99  #QF  0.99
 15 CYSS HB3    21 THR  HA      5.46 #SUP  1.00
 14 LYS  HA     15 CYSS HB3     4.72 #SUP  1.00
 15 CYSS HB3    19 GLY  HA2     4.89 #SUP  0.98  #QF  0.98
 15 CYSS HB3    19 GLY  HA1     4.53 #SUP  1.00
 15 CYSS HB3    20 LYS  HB2     4.01 #SUP  1.00
 15 CYSS HB3    20 LYS  HB3     4.37 #SUP  0.99  #QF  0.99
 15 CYSS HB3    28 LEU  QD1     3.68 #SUP  1.00
 15 CYSS HN     15 CYSS HB2     3.10 #SUP  1.00
 15 CYSS HB2    17 GLU  HN      4.78 #SUP  0.99  #QF  0.99
 15 CYSS HB2    19 GLY  HN      4.27 #SUP  1.00
 15 CYSS HB2    20 LYS  HN      3.64 #SUP  0.99  #QF  0.99
 15 CYSS HB2    22 PHE  QD      4.49 #SUP  1.00
 15 CYSS HB2    22 PHE  HZ      4.67 #SUP  1.00
 14 LYS  HA     15 CYSS HB2     4.59 #SUP  1.00
 15 CYSS HB2    19 GLY  HA1     5.50 #SUP  0.92  #QF  0.85
 15 CYSS HB2    32 GLN  HA      5.50 #SUP  0.92  #QF  0.85
 15 CYSS HB2    20 LYS  HB2     4.21 #SUP  1.00
 15 CYSS HB2    20 LYS  HB3     4.57 #SUP  0.99  #QF  0.99
 15 CYSS HB2    28 LEU  QD1     3.22 #SUP  0.98  #QF  0.98
 14 LYS  HA     14 LYS  QD      4.72 #SUP  1.00
 14 LYS  QD     19 GLY  HA2     5.19 #SUP  1.00
 14 LYS  HN     14 LYS  QD      5.12 #SUP  0.99  #QF  0.99
 17 GLU  QB     19 GLY  HN      4.71 #SUP  0.99  #QF  0.99
 17 GLU  QB     18 CYSS HB3     4.33 #SUP  1.00
 17 GLU  QB     35 HIS  HB3     4.57 #SUP  0.90  #QF  0.57
 20 LYS  HD2    21 THR  HN      5.00 #SUP  1.00
 20 LYS  HD2    22 PHE  HZ      4.43 #SUP  1.00
 20 LYS  HD2    22 PHE  QE      4.93 #SUP  1.00
 20 LYS  HA     20 LYS  HD2     4.74 #SUP  1.00
 20 LYS  HD3    22 PHE  QE      4.92 #SUP  1.00
 20 LYS  HA     20 LYS  HD3     4.51 #SUP  1.00
 20 LYS  HD3    31 HIS  HE1     4.38 #SUP  0.97  #QF  0.97
 30 LYS  HN     30 LYS  QD      4.77 #SUP  1.00
 27 HIS  HA     30 LYS  QD      4.69 #SUP  0.99  #QF  0.99
  9 LYS  HA      9 LYS  QD      4.53 #SUP  0.99  #QF  0.99
 35 HIS  HN     35 HIS  HB3     3.78 #SUP  1.00
 17 GLU  HG2    35 HIS  HB3     5.11 #SUP  1.00
 17 GLU  HG3    35 HIS  HB2     5.05 #SUP  0.66  #QF  0.66
 35 HIS  HB2    36 ALA  QB      4.68 #SUP  0.83  #QF  0.83
 28 LEU  HB2    31 HIS  HB3     5.01 #SUP  0.94  #QF  0.94
 28 LEU  QD1    31 HIS  HB3     3.91 #SUP  0.99  #QF  0.99
 30 LYS  HN     31 HIS  HB3     4.93 #SUP  0.97  #QF  0.97
 22 PHE  QD     31 HIS  HB3     4.76 #SUP  0.99  #QF  0.99
 31 HIS  HB2    32 GLN  HN      4.51 #SUP  1.00
 22 PHE  QD     31 HIS  HB2     4.81 #SUP  0.99  #QF  0.99
 22 PHE  QE     31 HIS  HB2     3.80 #SUP  0.83  #QF  0.83
 28 LEU  QD1    31 HIS  HB2     5.03 #SUP  1.00
 31 HIS  HN     32 GLN  HB2     4.81 #SUP  0.93  #QF  0.93
 32 GLN  HB2    35 HIS  HD2     5.49 #SUP  1.00
 30 LYS  HA     32 GLN  HB2     5.34 #SUP  1.00  #QF  0.92
 31 HIS  HB3    32 GLN  HB2     5.41 #SUP  0.90  #QF  0.90
 28 LEU  HG     32 GLN  HB2     5.01 #SUP  0.98  #QF  0.98
 28 LEU  QD1    32 GLN  HB2     4.51 #SUP  1.00
 32 GLN  HN     32 GLN  HB3     3.71 #SUP  1.00
 32 GLN  HB3    33 LEU  HN      4.27 #SUP  1.00
 31 HIS  HD2    32 GLN  HB3     5.50 #SUP  1.00
 32 GLN  HB3    33 LEU  HA      4.84 #SUP  1.00
 32 GLN  HB3    35 HIS  HB2     4.89 #SUP  1.00
 28 LEU  QD1    32 GLN  HB3     4.88 #SUP  1.00
 32 GLN  HB3    36 ALA  QB      5.17 #SUP  0.76  #QF  0.76
 28 LEU  HN     28 LEU  HG      4.67 #SUP  1.00
 39 ASN  HA     40 PRO  QG      4.97 #SUP  0.99  #QF  0.99
 12 PRO  HG3    13 PHE  HN      4.84 #SUP  1.00
 12 PRO  HG3    13 PHE  QE      4.63 #SUP  1.00
 12 PRO  HG2    13 PHE  QE      4.10 #SUP  1.00
 12 PRO  HG2    13 PHE  QD      3.89 #SUP  1.00
 12 PRO  HG2    13 PHE  QB      5.28 #SUP  0.98  #QF  0.90
 34 ILE  HA     34 ILE  HG12    3.85 #SUP  1.00
 31 HIS  HE1    34 ILE  HG13    4.83 #SUP  0.99  #QF  0.99
 34 ILE  HN     34 ILE  HG13    3.89 #SUP  1.00
 39 ASN  HA     40 PRO  HD3     3.22 #SUP  0.96  #QF  0.96
 12 PRO  HD3    13 PHE  HN      4.20 #SUP  1.00
 12 PRO  HD3    13 PHE  QD      4.85 #SUP  1.00
 39 ASN  HA     40 PRO  HD2     3.22 #SUP  0.96  #QF  0.96
 12 PRO  HD3    23 SER  HA      4.37 #SUP  0.99  #QF  0.89
 11 HIS  HB3    12 PRO  HD3     3.94 #SUP  0.99  #QF  0.99
 12 PRO  HD2    13 PHE  QE      4.54 #SUP  1.00
 12 PRO  HD2    13 PHE  QD      3.75 #SUP  1.00
 12 PRO  HD2    23 SER  HA      3.42 #SUP  0.86  #QF  0.86
 11 HIS  HB3    12 PRO  HD2     3.59 #SUP  0.99  #QF  0.99
 33 LEU  HG     34 ILE  HN      4.97 #SUP  1.00
 30 LYS  HA     33 LEU  HG      3.51 #SUP  1.00  #QF  0.87
 33 LEU  HA     33 LEU  HG      3.78 #SUP  1.00  #QF  0.87
 13 PHE  QD     28 LEU  QD2     3.50 #SUP  0.99  #QF  0.99
 28 LEU  HN     28 LEU  QD2     4.41 #SUP  0.99  #QF  0.99
 13 PHE  QB     28 LEU  QD2     2.98 #SUP  0.99  #QF  0.99
 15 CYSS HB2    28 LEU  QD2     4.84 #SUP  0.77  #QF  0.37
 28 LEU  QD2    32 GLN  QG      5.03 #SUP  0.77  #QF  0.37
 20 LYS  HN     20 LYS  HG3     4.17 #SUP  0.99  #QF  0.99
 20 LYS  HG3    21 THR  HN      4.80 #SUP  1.00
 20 LYS  HG3    22 PHE  HZ      5.02 #SUP  1.00
 20 LYS  HA     20 LYS  HG3     4.05 #SUP  1.00
 20 LYS  HG2    21 THR  HN      4.80 #SUP  1.00
 20 LYS  HG2    22 PHE  HZ      5.02 #SUP  1.00
 28 LEU  QD2    29 SER  HN      4.65 #SUP  0.99  #QF  0.99
 14 LYS  HA     28 LEU  QD2     5.07 #SUP  0.93  #QF  0.93
 15 CYSS HA     28 LEU  QD2     4.40 #SUP  0.87  #QF  0.87
 28 LEU  QD2    29 SER  QB      5.09 #SUP  0.99  #QF  0.99
 22 PHE  HB2    28 LEU  QD2     4.69 #SUP  1.00
 33 LEU  HN     33 LEU  QD1     4.03 #SUP  1.00
 30 LYS  HA     33 LEU  QD1     3.11 #SUP  1.00
 30 LYS  HN     30 LYS  HG2     4.73 #SUP  1.00
 30 LYS  HA     30 LYS  HG2     3.83 #SUP  1.00
 30 LYS  HG2    30 LYS  QE      4.23 #SUP  1.00
 30 LYS  HG2    30 LYS  QD      2.89 #SUP  0.99  #QF  0.99
 30 LYS  HG2    33 LEU  QD1     4.55 #SUP  0.99  #QF  0.99
 30 LYS  HA     30 LYS  HG3     3.89 #SUP  1.00
 30 LYS  HG3    33 LEU  QD1     4.73 #SUP  1.00
 14 LYS  HN     14 LYS  QG      4.75 #SUP  0.95  #QF  0.95
 14 LYS  HA     14 LYS  QG      3.71 #SUP  0.97  #QF  0.97
 14 LYS  QG     15 CYSS HA      4.86 #SUP  0.83  #QF  0.56
 14 LYS  QG     21 THR  HA      4.73 #SUP  0.99  #QF  0.99
 24 HIS  HD2    25 SER  HN      4.03 #SUP  0.61  #QF  0.61
 10 GLU  HN     10 GLU  QB      3.68 
 10 GLU  HN     10 GLU  QG      4.82 
 10 GLU  HA     10 GLU  QG      3.65 
 10 GLU  QB     11 HIS  HD2     4.94 
 11 HIS  HD2    23 SER  QB      5.34 
 13 PHE  QB     25 SER  QB      5.08 
 13 PHE  QD     25 SER  QB      4.15 
 13 PHE  QE     25 SER  QB      3.74 
 13 PHE  HZ     25 SER  QB      3.93 
 15 CYSS HA     32 GLN  QE2     4.02 
 17 GLU  HN     17 GLU  QG      3.49 
 17 GLU  QG     32 GLN  QG      5.09 
 17 GLU  QG     35 HIS  HB2     4.28 
 17 GLU  QG     35 HIS  HB3     4.38 
 17 GLU  QG     35 HIS  HD2     4.32 
 19 GLY  HN     20 LYS  QG      5.34 
 20 LYS  HN     20 LYS  QG      3.63 
 20 LYS  HA     20 LYS  QG      3.21 
 20 LYS  HA     20 LYS  QE      5.00 
 20 LYS  QG     20 LYS  QE      3.29 
 20 LYS  QG     21 THR  HN      4.05 
 20 LYS  QG     22 PHE  QE      4.81 
 20 LYS  QE     22 PHE  QE      4.99 
 25 SER  QB     28 LEU  HB3     4.59 
 25 SER  QB     28 LEU  QD2     4.72 
 28 LEU  HG     32 GLN  QE2     4.39 
 28 LEU  QD1    32 GLN  QE2     3.62 
 28 LEU  QD2    32 GLN  QE2     4.56 
 32 GLN  HB3    32 GLN  QE2     4.67 
 32 GLN  QG     32 GLN  QE2     3.10 
 36 ALA  QB     38 GLU  QG      4.43 
 38 GLU  HN     38 GLU  QB      3.48 
 38 GLU  HN     38 GLU  QG      4.07 
 38 GLU  HA     38 GLU  QG      3.50 
 39 ASN  QB     40 PRO  QD      3.82 
 42 GLY  QA     43 PRO  QD      2.96 
     14   LYS  PHI  -138.00     -78.00
     14   LYS  PSI    99.00     159.00
     15  CYSS  PHI  -113.00     -53.00
     15  CYSS  PSI   111.00     171.00
     22   PHE  PHI  -168.00    -108.00
     22   PHE  PSI   128.00     188.00
     25   SER  PHI   -86.00     -26.00
     25   SER  PSI   -69.00      -9.00
     26   ALA  PHI   -89.00     -29.00
     26   ALA  PSI   -69.00      -9.00
     27   HIS  PHI  -101.00     -41.00
     27   HIS  PSI   -67.00      -7.00
     28   LEU  PHI   -89.00     -29.00
     28   LEU  PSI   -77.00     -17.00
     29   SER  PHI   -89.00     -29.00
     29   SER  PSI   -70.00     -10.00
     30   LYS  PHI   -96.00     -36.00
     30   LYS  PSI   -69.00      -9.00
     31   HIS  PHI   -93.00     -33.00
     31   HIS  PSI   -74.00     -14.00
     32   GLN  PHI   -94.00     -34.00
     32   GLN  PSI   -70.00     -10.00
     33   LEU  PHI   -91.00     -31.00
     33   LEU  PSI   -74.00     -14.00
     34   ILE  PHI  -103.00     -43.00
     34   ILE  PSI   -57.00       3.00
     35   HIS  PHI  -123.00     -63.00
     35   HIS  PSI   -39.00      21.00

     15  CYSS CHI1  150.00     210.00
     18  CYSS CHI1   30.00      90.00
     31  HIS  CHI1  150.00     210.00
     35  HIS  CHI1  -90.00     -30.00  


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1H       GLY   1  -9.013 -19.937 -12.877
    2    HA2  GLY   1           1HA      GLY   1  -9.358 -22.048 -10.877
    3    HA3  GLY   1           2HA      GLY   1  -7.981 -20.965 -11.014
    4    H    SER   2           H        SER   2  -7.828 -19.474  -9.488
    5    HA   SER   2           HA       SER   2 -10.191 -18.126  -8.490
    6    HB2  SER   2           1HB      SER   2  -9.963 -18.726  -6.211
    7    HB3  SER   2           2HB      SER   2  -9.836 -20.246  -7.095
    8    HG   SER   2           HG       SER   2  -8.138 -20.308  -5.754
    9    H    SER   3           H        SER   3  -9.759 -16.126  -7.593
   10    HA   SER   3           HA       SER   3  -7.030 -15.157  -8.022
   11    HB2  SER   3           1HB      SER   3  -9.636 -13.664  -7.650
   12    HB3  SER   3           2HB      SER   3  -8.068 -12.894  -7.893
   13    HG   SER   3           HG       SER   3  -7.977 -13.729  -9.934
   14    H    GLY   4           H        GLY   4  -6.092 -15.988  -6.113
   15    HA2  GLY   4           1HA      GLY   4  -5.378 -14.666  -4.058
   16    HA3  GLY   4           2HA      GLY   4  -7.075 -14.771  -3.611
   17    H    SER   5           H        SER   5  -4.286 -16.810  -4.446
   18    HA   SER   5           HA       SER   5  -5.231 -19.253  -3.589
   19    HB2  SER   5           1HB      SER   5  -2.406 -18.210  -3.273
   20    HB3  SER   5           2HB      SER   5  -2.890 -19.906  -3.275
   21    HG   SER   5           HG       SER   5  -3.087 -19.856  -5.383
   22    H    SER   6           H        SER   6  -3.326 -16.947  -1.645
   23    HA   SER   6           HA       SER   6  -3.387 -18.291   0.766
   24    HB2  SER   6           1HB      SER   6  -3.012 -16.107   1.833
   25    HB3  SER   6           2HB      SER   6  -2.036 -16.273   0.374
   26    HG   SER   6           HG       SER   6  -4.012 -14.488   0.950
   27    H    GLY   7           H        GLY   7  -4.680 -18.051   2.663
   28    HA2  GLY   7           1HA      GLY   7  -7.503 -17.918   2.053
   29    HA3  GLY   7           2HA      GLY   7  -6.786 -18.358   3.596
   30    H    THR   8           H        THR   8  -5.439 -16.302   4.473
   31    HA   THR   8           HA       THR   8  -7.482 -14.302   4.931
   32    HB   THR   8           HB       THR   8  -5.819 -13.344   6.545
   33    HG1  THR   8           HG1      THR   8  -4.059 -14.587   5.227
   34   HG21  THR   8          3HG2      THR   8  -6.864 -16.130   6.695
   35   HG22  THR   8          1HG2      THR   8  -7.298 -14.712   7.648
   36   HG23  THR   8          2HG2      THR   8  -5.789 -15.565   7.973
   37    H    LYS   9           H        LYS   9  -6.297 -11.975   5.298
   38    HA   LYS   9           HA       LYS   9  -5.647 -10.084   4.209
   39    HB2  LYS   9           1HB      LYS   9  -3.607 -12.106   3.356
   40    HB3  LYS   9           2HB      LYS   9  -3.574 -10.493   2.656
   41    HG2  LYS   9           1HG      LYS   9  -3.080  -9.483   4.688
   42    HG3  LYS   9           2HG      LYS   9  -3.642 -10.871   5.624
   43    HD2  LYS   9           1HD      LYS   9  -1.254 -10.991   3.794
   44    HD3  LYS   9           2HD      LYS   9  -1.133 -10.546   5.498
   45    HE2  LYS   9           1HE      LYS   9  -2.478 -12.767   5.853
   46    HE3  LYS   9           2HE      LYS   9  -1.841 -13.168   4.259
   47    HZ1  LYS   9           3HZ      LYS   9   0.354 -13.034   5.038
   48    HZ2  LYS   9           1HZ      LYS   9  -0.478 -13.900   6.230
   49    HZ3  LYS   9           2HZ      LYS   9  -0.099 -12.270   6.478
   50    H    GLU  10           H        GLU  10  -7.864 -11.120   3.087
   51    HA   GLU  10           HA       GLU  10  -7.402 -11.044   0.184
   52    HB2  GLU  10           1HB      GLU  10  -9.461 -12.187  -0.108
   53    HB3  GLU  10           2HB      GLU  10  -8.623 -13.010   1.200
   54    HG2  GLU  10           1HG      GLU  10 -10.528 -10.849   1.907
   55    HG3  GLU  10           2HG      GLU  10 -11.180 -12.388   1.350
   56    H    HIS  11           H        HIS  11  -7.387  -8.681   1.866
   57    HA   HIS  11           HA       HIS  11  -9.897  -7.327   1.453
   58    HB2  HIS  11           1HB      HIS  11  -7.217  -6.250   2.356
   59    HB3  HIS  11           2HB      HIS  11  -8.742  -5.371   2.407
   60    HD1  HIS  11           HD1      HIS  11  -8.227  -5.193   5.024
   61    HD2  HIS  11           HD2      HIS  11  -9.081  -8.999   3.593
   62    HE1  HIS  11           HE1      HIS  11  -8.775  -6.568   7.057
   63    HA   PRO  12           HA       PRO  12  -9.129  -5.770  -2.588
   64    HB2  PRO  12           1HB      PRO  12 -10.720  -3.571  -2.525
   65    HB3  PRO  12           2HB      PRO  12 -11.358  -5.216  -2.638
   66    HG2  PRO  12           1HG      PRO  12 -11.106  -3.444  -0.239
   67    HG3  PRO  12           2HG      PRO  12 -12.456  -4.487  -0.722
   68    HD2  PRO  12           1HD      PRO  12 -10.661  -5.211   1.172
   69    HD3  PRO  12           2HD      PRO  12 -11.445  -6.388   0.099
   70    H    PHE  13           H        PHE  13  -8.223  -4.136   0.248
   71    HA   PHE  13           HA       PHE  13  -6.649  -2.204  -1.325
   72    HB2  PHE  13           1HB      PHE  13  -7.678  -1.785   1.488
   73    HB3  PHE  13           2HB      PHE  13  -6.827  -0.612   0.488
   74    HD1  PHE  13           HD2      PHE  13  -7.957   0.138  -1.673
   75    HD2  PHE  13           HD1      PHE  13  -9.996  -1.915   1.448
   76    HE1  PHE  13           HE2      PHE  13 -10.108   0.956  -2.545
   77    HE2  PHE  13           HE1      PHE  13 -12.150  -1.102   0.581
   78    HZ   PHE  13           HZ       PHE  13 -12.208   0.337  -1.417
   79    H    LYS  14           H        LYS  14  -4.527  -2.454  -1.174
   80    HA   LYS  14           HA       LYS  14  -3.379  -3.553   1.290
   81    HB2  LYS  14           1HB      LYS  14  -3.477  -5.476  -0.108
   82    HB3  LYS  14           2HB      LYS  14  -2.917  -4.574  -1.509
   83    HG2  LYS  14           1HG      LYS  14  -1.127  -4.732   0.853
   84    HG3  LYS  14           2HG      LYS  14  -1.320  -6.172  -0.150
   85    HD2  LYS  14           1HD      LYS  14  -0.834  -4.620  -2.133
   86    HD3  LYS  14           2HD      LYS  14  -0.259  -3.470  -0.924
   87    HE2  LYS  14           1HE      LYS  14   1.419  -4.992  -0.171
   88    HE3  LYS  14           2HE      LYS  14   0.748  -6.300  -1.144
   89    HZ1  LYS  14           3HZ      LYS  14   2.475  -5.606  -2.449
   90    HZ2  LYS  14           1HZ      LYS  14   2.338  -3.983  -1.991
   91    HZ3  LYS  14           2HZ      LYS  14   1.230  -4.650  -3.080
   92    H    CYS  15           H        CYS  15  -1.879  -2.212   2.022
   93    HA   CYS  15           HA       CYS  15  -0.922   0.005   0.582
   94    HB2  CYS  15           1HB      CYS  15  -1.023  -0.065   3.040
   95    HB3  CYS  15           2HB      CYS  15   0.239  -1.292   3.057
   96    H    ASN  16           H        ASN  16   0.878   0.360  -0.606
   97    HA   ASN  16           HA       ASN  16   2.476  -1.990  -1.303
   98    HB2  ASN  16           1HB      ASN  16   1.299  -0.369  -2.995
   99    HB3  ASN  16           2HB      ASN  16   2.706   0.649  -2.706
  100   HD21  ASN  16          1HD2      ASN  16   4.830  -0.663  -2.790
  101   HD22  ASN  16          2HD2      ASN  16   4.990  -1.708  -4.156
  102    H    GLU  17           H        GLU  17   2.644   0.828   0.567
  103    HA   GLU  17           HA       GLU  17   5.448   1.332   0.327
  104    HB2  GLU  17           1HB      GLU  17   3.625   2.132   2.597
  105    HB3  GLU  17           2HB      GLU  17   5.158   2.870   2.155
  106    HG2  GLU  17           1HG      GLU  17   4.031   3.399  -0.085
  107    HG3  GLU  17           2HG      GLU  17   2.521   3.035   0.750
  108    H    CYS  18           H        CYS  18   3.411  -0.466   2.584
  109    HA   CYS  18           HA       CYS  18   5.859  -1.600   3.774
  110    HB2  CYS  18           1HB      CYS  18   4.588  -1.931   5.849
  111    HB3  CYS  18           2HB      CYS  18   4.629  -0.231   5.391
  112    H    GLY  19           H        GLY  19   2.458  -2.268   2.979
  113    HA2  GLY  19           1HA      GLY  19   2.141  -4.308   1.579
  114    HA3  GLY  19           2HA      GLY  19   3.194  -5.120   2.728
  115    H    LYS  20           H        LYS  20   0.968  -2.811   3.975
  116    HA   LYS  20           HA       LYS  20  -0.374  -4.848   5.496
  117    HB2  LYS  20           1HB      LYS  20  -0.371  -1.874   5.420
  118    HB3  LYS  20           2HB      LYS  20  -1.791  -2.663   6.095
  119    HG2  LYS  20           1HG      LYS  20  -0.126  -3.972   7.545
  120    HG3  LYS  20           2HG      LYS  20   1.039  -2.735   7.068
  121    HD2  LYS  20           1HD      LYS  20  -0.193  -1.023   8.102
  122    HD3  LYS  20           2HD      LYS  20  -1.642  -2.023   8.223
  123    HE2  LYS  20           1HE      LYS  20  -0.485  -3.470   9.839
  124    HE3  LYS  20           2HE      LYS  20   0.937  -2.433   9.735
  125    HZ1  LYS  20           3HZ      LYS  20  -0.246  -0.645  10.702
  126    HZ2  LYS  20           1HZ      LYS  20  -0.558  -1.998  11.668
  127    HZ3  LYS  20           2HZ      LYS  20  -1.729  -1.449  10.578
  128    H    THR  21           H        THR  21  -2.894  -4.464   5.716
  129    HA   THR  21           HA       THR  21  -4.154  -4.035   3.123
  130    HB   THR  21           HB       THR  21  -5.384  -6.183   3.235
  131    HG1  THR  21           HG1      THR  21  -4.181  -7.782   4.670
  132   HG21  THR  21          3HG2      THR  21  -3.760  -7.383   2.136
  133   HG22  THR  21          1HG2      THR  21  -2.498  -6.937   3.284
  134   HG23  THR  21          2HG2      THR  21  -3.050  -5.770   2.082
  135    H    PHE  22           H        PHE  22  -6.206  -3.277   3.271
  136    HA   PHE  22           HA       PHE  22  -7.536  -3.374   5.887
  137    HB2  PHE  22           1HB      PHE  22  -7.479  -0.880   4.189
  138    HB3  PHE  22           2HB      PHE  22  -8.072  -1.050   5.838
  139    HD1  PHE  22           HD2      PHE  22  -4.959  -1.377   3.825
  140    HD2  PHE  22           HD1      PHE  22  -6.701  -0.485   7.605
  141    HE1  PHE  22           HE2      PHE  22  -2.750  -0.714   4.682
  142    HE2  PHE  22           HE1      PHE  22  -4.495   0.182   8.468
  143    HZ   PHE  22           HZ       PHE  22  -2.516   0.067   7.006
  144    H    SER  23           H        SER  23  -9.710  -3.659   5.824
  145    HA   SER  23           HA       SER  23 -10.911  -4.726   3.547
  146    HB2  SER  23           1HB      SER  23 -11.683  -5.090   5.895
  147    HB3  SER  23           2HB      SER  23 -12.339  -3.453   5.893
  148    HG   SER  23           HG       SER  23 -13.979  -4.125   4.761
  149    H    HIS  24           H        HIS  24 -11.258  -1.486   4.968
  150    HA   HIS  24           HA       HIS  24 -12.582  -0.606   2.495
  151    HB2  HIS  24           1HB      HIS  24 -12.724   0.296   5.337
  152    HB3  HIS  24           2HB      HIS  24 -13.004   1.484   4.067
  153    HD1  HIS  24           HD1      HIS  24 -14.982  -0.216   6.221
  154    HD2  HIS  24           HD2      HIS  24 -14.907  -0.175   2.068
  155    HE1  HIS  24           HE1      HIS  24 -17.272  -0.963   5.500
  156    H    SER  25           H        SER  25 -11.952   1.383   1.523
  157    HA   SER  25           HA       SER  25  -9.161   1.729   1.328
  158    HB2  SER  25           1HB      SER  25 -10.743   2.260  -0.503
  159    HB3  SER  25           2HB      SER  25 -11.349   3.624   0.436
  160    HG   SER  25           HG       SER  25  -8.957   3.331  -0.946
  161    H    ALA  26           H        ALA  26 -11.657   3.859   2.720
  162    HA   ALA  26           HA       ALA  26 -10.321   5.991   3.596
  163    HB1  ALA  26           3HB      ALA  26 -12.696   5.428   4.126
  164    HB2  ALA  26           1HB      ALA  26 -12.105   4.432   5.456
  165    HB3  ALA  26           2HB      ALA  26 -11.808   6.171   5.456
  166    H    HIS  27           H        HIS  27 -10.066   2.779   5.041
  167    HA   HIS  27           HA       HIS  27  -8.425   3.540   7.220
  168    HB2  HIS  27           1HB      HIS  27  -8.712   0.855   5.856
  169    HB3  HIS  27           2HB      HIS  27  -7.927   1.123   7.409
  170    HD1  HIS  27           HD1      HIS  27 -10.856  -0.274   6.324
  171    HD2  HIS  27           HD2      HIS  27 -10.096   2.780   9.036
  172    HE1  HIS  27           HE1      HIS  27 -12.894  -0.156   7.793
  173    H    LEU  28           H        LEU  28  -7.653   2.070   4.071
  174    HA   LEU  28           HA       LEU  28  -4.879   1.965   4.402
  175    HB2  LEU  28           1HB      LEU  28  -5.801   0.735   2.628
  176    HB3  LEU  28           2HB      LEU  28  -6.644   2.142   1.983
  177    HG   LEU  28           HG       LEU  28  -4.470   3.088   1.291
  178   HD11  LEU  28          1HD1      LEU  28  -3.441   1.130   3.022
  179   HD12  LEU  28          2HD1      LEU  28  -2.544   2.282   2.033
  180   HD13  LEU  28          3HD1      LEU  28  -2.925   0.682   1.396
  181   HD21  LEU  28          3HD2      LEU  28  -5.969   1.385  -0.047
  182   HD22  LEU  28          1HD2      LEU  28  -4.549   0.352   0.124
  183   HD23  LEU  28          2HD2      LEU  28  -4.408   1.918  -0.674
  184    H    SER  29           H        SER  29  -6.731   4.363   2.513
  185    HA   SER  29           HA       SER  29  -4.755   6.115   1.865
  186    HB2  SER  29           1HB      SER  29  -6.432   7.848   1.725
  187    HB3  SER  29           2HB      SER  29  -7.171   6.323   1.234
  188    HG   SER  29           HG       SER  29  -7.842   7.966   3.264
  189    H    LYS  30           H        LYS  30  -6.503   5.986   4.945
  190    HA   LYS  30           HA       LYS  30  -5.200   8.217   6.110
  191    HB2  LYS  30           1HB      LYS  30  -7.380   6.949   6.813
  192    HB3  LYS  30           2HB      LYS  30  -6.276   5.949   7.748
  193    HG2  LYS  30           1HG      LYS  30  -5.733   7.648   9.187
  194    HG3  LYS  30           2HG      LYS  30  -6.113   8.910   8.013
  195    HD2  LYS  30           1HD      LYS  30  -7.859   9.055   9.550
  196    HD3  LYS  30           2HD      LYS  30  -8.545   8.088   8.242
  197    HE2  LYS  30           1HE      LYS  30  -8.046   6.046   9.500
  198    HE3  LYS  30           2HE      LYS  30  -7.364   7.016  10.804
  199    HZ1  LYS  30           3HZ      LYS  30  -9.652   8.128  10.838
  200    HZ2  LYS  30           1HZ      LYS  30  -9.514   6.579  11.503
  201    HZ3  LYS  30           2HZ      LYS  30 -10.181   6.782   9.962
  202    H    HIS  31           H        HIS  31  -4.585   4.732   6.213
  203    HA   HIS  31           HA       HIS  31  -2.436   4.871   8.058
  204    HB2  HIS  31           1HB      HIS  31  -3.303   2.735   7.924
  205    HB3  HIS  31           2HB      HIS  31  -3.492   2.808   6.174
  206    HD1  HIS  31           HD1      HIS  31  -0.990   2.029   8.842
  207    HD2  HIS  31           HD2      HIS  31  -1.256   2.012   4.696
  208    HE1  HIS  31           HE1      HIS  31   1.042   0.783   8.043
  209    H    GLN  32           H        GLN  32  -2.694   5.757   4.804
  210    HA   GLN  32           HA       GLN  32   0.023   5.225   4.042
  211    HB2  GLN  32           1HB      GLN  32  -2.202   6.829   2.795
  212    HB3  GLN  32           2HB      GLN  32  -0.587   6.769   2.100
  213    HG2  GLN  32           1HG      GLN  32  -0.925   4.194   2.222
  214    HG3  GLN  32           2HG      GLN  32  -2.635   4.614   2.319
  215   HE21  GLN  32          1HE2      GLN  32  -0.447   3.590   0.244
  216   HE22  GLN  32          2HE2      GLN  32  -0.979   4.351  -1.212
  217    H    LEU  33           H        LEU  33  -1.773   7.962   5.316
  218    HA   LEU  33           HA       LEU  33   0.063  10.002   4.877
  219    HB2  LEU  33           1HB      LEU  33  -1.769   9.612   7.239
  220    HB3  LEU  33           2HB      LEU  33  -0.973  11.123   6.805
  221    HG   LEU  33           HG       LEU  33  -2.879   9.755   4.930
  222   HD11  LEU  33          1HD1      LEU  33  -3.484  11.065   7.448
  223   HD12  LEU  33          2HD1      LEU  33  -4.529  10.135   6.375
  224   HD13  LEU  33          3HD1      LEU  33  -4.261  11.851   6.074
  225   HD21  LEU  33          3HD2      LEU  33  -2.706  11.611   3.673
  226   HD22  LEU  33          1HD2      LEU  33  -1.187  11.833   4.542
  227   HD23  LEU  33          2HD2      LEU  33  -2.639  12.681   5.074
  228    H    ILE  34           H        ILE  34   0.226   7.316   7.015
  229    HA   ILE  34           HA       ILE  34   2.062   8.418   8.897
  230    HB   ILE  34           HB       ILE  34   2.179   6.320   9.863
  231   HG12  ILE  34          1HG1      ILE  34   1.748   5.247   7.082
  232   HG13  ILE  34          2HG1      ILE  34   3.124   4.997   8.151
  233   HG21  ILE  34          1HG2      ILE  34  -0.403   5.975   8.373
  234   HG22  ILE  34          2HG2      ILE  34  -0.024   5.542  10.039
  235   HG23  ILE  34          3HG2      ILE  34  -0.187   7.238   9.583
  236   HD11  ILE  34          3HD1      ILE  34   1.716   3.003   7.923
  237   HD12  ILE  34          1HD1      ILE  34   1.796   3.586   9.586
  238   HD13  ILE  34          2HD1      ILE  34   0.361   3.900   8.609
  239    H    HIS  35           H        HIS  35   2.367   6.841   5.799
  240    HA   HIS  35           HA       HIS  35   5.179   6.330   6.028
  241    HB2  HIS  35           1HB      HIS  35   3.212   6.233   3.753
  242    HB3  HIS  35           2HB      HIS  35   4.938   6.016   3.478
  243    HD1  HIS  35           HD1      HIS  35   5.981   4.035   5.175
  244    HD2  HIS  35           HD2      HIS  35   1.949   3.891   4.182
  245    HE1  HIS  35           HE1      HIS  35   5.262   1.666   5.622
  246    H    ALA  36           H        ALA  36   3.205   8.992   5.025
  247    HA   ALA  36           HA       ALA  36   5.396  10.350   3.685
  248    HB1  ALA  36           3HB      ALA  36   2.991  11.917   4.223
  249    HB2  ALA  36           1HB      ALA  36   3.826  11.603   2.702
  250    HB3  ALA  36           2HB      ALA  36   2.683  10.421   3.341
  251    H    GLY  37           H        GLY  37   6.230   9.886   6.182
  252    HA2  GLY  37           1HA      GLY  37   6.803  10.824   8.223
  253    HA3  GLY  37           2HA      GLY  37   7.166  12.201   7.193
  254    H    GLU  38           H        GLU  38   4.815  10.759   9.344
  255    HA   GLU  38           HA       GLU  38   3.553  13.405   9.618
  256    HB2  GLU  38           1HB      GLU  38   2.293  10.745   9.172
  257    HB3  GLU  38           2HB      GLU  38   1.485  11.852  10.274
  258    HG2  GLU  38           1HG      GLU  38   2.280  12.585   7.470
  259    HG3  GLU  38           2HG      GLU  38   0.700  11.937   7.904
  260    H    ASN  39           H        ASN  39   5.685  12.392  11.180
  261    HA   ASN  39           HA       ASN  39   4.670  12.834  13.777
  262    HB2  ASN  39           1HB      ASN  39   5.368  10.538  14.685
  263    HB3  ASN  39           2HB      ASN  39   3.836  10.628  13.821
  264   HD21  ASN  39          1HD2      ASN  39   3.939   8.410  13.388
  265   HD22  ASN  39          2HD2      ASN  39   4.988   7.774  12.170
  266    HA   PRO  40           HA       PRO  40   8.898  13.899  14.344
  267    HB2  PRO  40           1HB      PRO  40   9.022  13.880  17.056
  268    HB3  PRO  40           2HB      PRO  40   8.195  15.147  16.141
  269    HG2  PRO  40           1HG      PRO  40   7.047  12.751  17.522
  270    HG3  PRO  40           2HG      PRO  40   6.450  14.421  17.496
  271    HD2  PRO  40           1HD      PRO  40   5.399  12.475  15.935
  272    HD3  PRO  40           2HD      PRO  40   5.473  14.173  15.424
  273    H    SER  41           H        SER  41  10.580  12.610  13.978
  274    HA   SER  41           HA       SER  41  10.657   9.876  14.660
  275    HB2  SER  41           1HB      SER  41  12.949   9.912  13.817
  276    HB3  SER  41           2HB      SER  41  11.903  10.854  12.754
  277    HG   SER  41           HG       SER  41  13.502  11.963  14.820
  278    H    GLY  42           H        GLY  42  12.929   9.124  15.730
  279    HA2  GLY  42           1HA      GLY  42  13.930  10.566  17.922
  280    HA3  GLY  42           2HA      GLY  42  12.611   9.553  18.489
  281    HA   PRO  43           HA       PRO  43  15.441   6.235  18.960
  282    HB2  PRO  43           1HB      PRO  43  13.761   4.120  18.683
  283    HB3  PRO  43           2HB      PRO  43  13.775   5.155  20.117
  284    HG2  PRO  43           1HG      PRO  43  11.927   5.206  17.762
  285    HG3  PRO  43           2HG      PRO  43  11.547   5.365  19.487
  286    HD2  PRO  43           1HD      PRO  43  11.710   7.499  17.828
  287    HD3  PRO  43           2HD      PRO  43  12.154   7.588  19.544
  288    H    SER  44           H        SER  44  13.753   6.789  16.053
  289    HA   SER  44           HA       SER  44  14.407   4.588  14.489
  290    HB2  SER  44           1HB      SER  44  12.892   6.328  13.700
  291    HB3  SER  44           2HB      SER  44  14.212   7.497  13.671
  292    HG   SER  44           HG       SER  44  14.526   6.830  11.712
  293    H    SER  45           H        SER  45  16.099   4.188  13.009
  294    HA   SER  45           HA       SER  45  18.456   5.828  12.979
  295    HB2  SER  45           1HB      SER  45  18.413   3.244  14.526
  296    HB3  SER  45           2HB      SER  45  19.905   3.871  13.826
  297    HG   SER  45           HG       SER  45  18.590   4.658  16.059
  298    H    GLY  46           H        GLY  46  18.838   5.791  10.862
  299    HA2  GLY  46           1HA      GLY  46  18.296   3.395   9.303
  300    HA3  GLY  46           2HA      GLY  46  18.762   4.968   8.673
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  12.428 -21.674  14.502
    2    HA2  GLY   1           1HA      GLY   1  10.443 -22.648  13.847
    3    HA3  GLY   1           2HA      GLY   1   9.935 -22.625  15.529
    4    H    SER   2           H        SER   2   9.610 -20.190  16.297
    5    HA   SER   2           HA       SER   2   7.912 -18.626  16.248
    6    HB2  SER   2           1HB      SER   2  10.021 -17.637  15.157
    7    HB3  SER   2           2HB      SER   2   9.173 -17.844  13.624
    8    HG   SER   2           HG       SER   2   7.471 -16.554  14.536
    9    H    SER   3           H        SER   3   6.908 -21.016  15.277
   10    HA   SER   3           HA       SER   3   5.760 -21.048  12.770
   11    HB2  SER   3           1HB      SER   3   5.572 -23.008  14.096
   12    HB3  SER   3           2HB      SER   3   4.774 -22.137  15.406
   13    HG   SER   3           HG       SER   3   3.731 -23.157  13.056
   14    H    GLY   4           H        GLY   4   4.664 -19.447  11.837
   15    HA2  GLY   4           1HA      GLY   4   2.184 -18.548  12.992
   16    HA3  GLY   4           2HA      GLY   4   3.418 -17.298  12.953
   17    H    SER   5           H        SER   5   0.782 -18.177  11.410
   18    HA   SER   5           HA       SER   5   1.846 -17.479   8.750
   19    HB2  SER   5           1HB      SER   5   0.873 -19.803   8.973
   20    HB3  SER   5           2HB      SER   5  -0.688 -19.043   9.277
   21    HG   SER   5           HG       SER   5   0.894 -18.924   6.934
   22    H    SER   6           H        SER   6   1.569 -15.279   8.888
   23    HA   SER   6           HA       SER   6  -0.559 -13.892   9.984
   24    HB2  SER   6           1HB      SER   6   1.346 -13.245   7.748
   25    HB3  SER   6           2HB      SER   6   0.068 -12.116   8.198
   26    HG   SER   6           HG       SER   6   1.631 -13.154  10.254
   27    H    GLY   7           H        GLY   7  -2.650 -14.170   9.570
   28    HA2  GLY   7           1HA      GLY   7  -3.486 -14.830   6.831
   29    HA3  GLY   7           2HA      GLY   7  -4.447 -15.071   8.283
   30    H    THR   8           H        THR   8  -6.246 -13.978   7.557
   31    HA   THR   8           HA       THR   8  -7.549 -12.215   6.871
   32    HB   THR   8           HB       THR   8  -7.327 -10.213   8.297
   33    HG1  THR   8           HG1      THR   8  -5.581 -10.496   9.982
   34   HG21  THR   8          3HG2      THR   8  -8.580 -11.685   9.489
   35   HG22  THR   8          1HG2      THR   8  -7.171 -11.664  10.549
   36   HG23  THR   8          2HG2      THR   8  -7.375 -12.968   9.378
   37    H    LYS   9           H        LYS   9  -5.700 -12.583   4.947
   38    HA   LYS   9           HA       LYS   9  -4.891  -9.837   4.243
   39    HB2  LYS   9           1HB      LYS   9  -3.459 -12.446   3.808
   40    HB3  LYS   9           2HB      LYS   9  -3.129 -11.048   2.792
   41    HG2  LYS   9           1HG      LYS   9  -2.834  -9.867   5.140
   42    HG3  LYS   9           2HG      LYS   9  -2.478 -11.521   5.646
   43    HD2  LYS   9           1HD      LYS   9  -1.148 -10.241   3.271
   44    HD3  LYS   9           2HD      LYS   9  -0.505 -10.091   4.908
   45    HE2  LYS   9           1HE      LYS   9   0.647 -11.930   4.173
   46    HE3  LYS   9           2HE      LYS   9  -0.758 -12.704   4.903
   47    HZ1  LYS   9           3HZ      LYS   9  -1.751 -12.580   2.575
   48    HZ2  LYS   9           1HZ      LYS   9  -0.537 -13.727   2.844
   49    HZ3  LYS   9           2HZ      LYS   9  -0.174 -12.285   2.039
   50    H    GLU  10           H        GLU  10  -7.394 -10.549   3.604
   51    HA   GLU  10           HA       GLU  10  -7.233 -11.076   0.711
   52    HB2  GLU  10           1HB      GLU  10  -9.078 -12.209   2.766
   53    HB3  GLU  10           2HB      GLU  10  -9.708 -11.910   1.152
   54    HG2  GLU  10           1HG      GLU  10  -7.838 -13.287   0.247
   55    HG3  GLU  10           2HG      GLU  10  -7.411 -13.696   1.907
   56    H    HIS  11           H        HIS  11  -7.228  -8.556   2.240
   57    HA   HIS  11           HA       HIS  11  -9.830  -7.377   1.789
   58    HB2  HIS  11           1HB      HIS  11  -7.246  -6.015   2.571
   59    HB3  HIS  11           2HB      HIS  11  -8.871  -5.350   2.708
   60    HD1  HIS  11           HD1      HIS  11  -7.759  -5.154   5.279
   61    HD2  HIS  11           HD2      HIS  11  -9.103  -8.859   3.965
   62    HE1  HIS  11           HE1      HIS  11  -8.105  -6.520   7.361
   63    HA   PRO  12           HA       PRO  12  -9.143  -5.972  -2.320
   64    HB2  PRO  12           1HB      PRO  12 -10.804  -3.825  -2.350
   65    HB3  PRO  12           2HB      PRO  12 -11.390  -5.493  -2.377
   66    HG2  PRO  12           1HG      PRO  12 -11.177  -3.597  -0.070
   67    HG3  PRO  12           2HG      PRO  12 -12.497  -4.705  -0.490
   68    HD2  PRO  12           1HD      PRO  12 -10.666  -5.277   1.421
   69    HD3  PRO  12           2HD      PRO  12 -11.419  -6.530   0.415
   70    H    PHE  13           H        PHE  13  -8.209  -4.224   0.416
   71    HA   PHE  13           HA       PHE  13  -6.724  -2.311  -1.261
   72    HB2  PHE  13           1HB      PHE  13  -7.781  -1.779   1.523
   73    HB3  PHE  13           2HB      PHE  13  -6.928  -0.638   0.489
   74    HD1  PHE  13           HD2      PHE  13  -8.026   0.104  -1.652
   75    HD2  PHE  13           HD1      PHE  13 -10.101  -2.043   1.380
   76    HE1  PHE  13           HE2      PHE  13 -10.171   0.855  -2.594
   77    HE2  PHE  13           HE1      PHE  13 -12.250  -1.297   0.443
   78    HZ   PHE  13           HZ       PHE  13 -12.287   0.155  -1.546
   79    H    LYS  14           H        LYS  14  -4.590  -2.441  -1.080
   80    HA   LYS  14           HA       LYS  14  -3.419  -3.439   1.418
   81    HB2  LYS  14           1HB      LYS  14  -3.544  -5.323  -0.175
   82    HB3  LYS  14           2HB      LYS  14  -2.625  -4.384  -1.344
   83    HG2  LYS  14           1HG      LYS  14  -0.908  -4.255   0.669
   84    HG3  LYS  14           2HG      LYS  14  -1.726  -5.751   1.126
   85    HD2  LYS  14           1HD      LYS  14  -1.324  -6.507  -1.277
   86    HD3  LYS  14           2HD      LYS  14  -0.213  -5.140  -1.400
   87    HE2  LYS  14           1HE      LYS  14   1.240  -6.029   0.198
   88    HE3  LYS  14           2HE      LYS  14   0.018  -7.130   0.831
   89    HZ1  LYS  14           3HZ      LYS  14   1.796  -8.163  -0.582
   90    HZ2  LYS  14           1HZ      LYS  14   1.118  -7.363  -1.910
   91    HZ3  LYS  14           2HZ      LYS  14   0.208  -8.505  -1.057
   92    H    CYS  15           H        CYS  15  -1.746  -2.259   2.105
   93    HA   CYS  15           HA       CYS  15  -0.961   0.083   0.691
   94    HB2  CYS  15           1HB      CYS  15  -1.032  -0.020   3.153
   95    HB3  CYS  15           2HB      CYS  15   0.279  -1.195   3.137
   96    H    ASN  16           H        ASN  16   0.740   0.457  -0.603
   97    HA   ASN  16           HA       ASN  16   2.410  -1.820  -1.329
   98    HB2  ASN  16           1HB      ASN  16   1.307  -0.515  -3.116
   99    HB3  ASN  16           2HB      ASN  16   2.198   0.916  -2.606
  100   HD21  ASN  16          1HD2      ASN  16   2.748   0.693  -4.977
  101   HD22  ASN  16          2HD2      ASN  16   4.176  -0.204  -5.354
  102    H    GLU  17           H        GLU  17   2.553   0.937   0.624
  103    HA   GLU  17           HA       GLU  17   5.349   1.493   0.361
  104    HB2  GLU  17           1HB      GLU  17   3.541   2.216   2.670
  105    HB3  GLU  17           2HB      GLU  17   5.056   2.988   2.222
  106    HG2  GLU  17           1HG      GLU  17   3.889   3.546   0.009
  107    HG3  GLU  17           2HG      GLU  17   2.398   3.141   0.857
  108    H    CYS  18           H        CYS  18   3.380  -0.563   2.398
  109    HA   CYS  18           HA       CYS  18   5.846  -1.659   3.572
  110    HB2  CYS  18           1HB      CYS  18   4.621  -2.042   5.681
  111    HB3  CYS  18           2HB      CYS  18   4.727  -0.331   5.282
  112    H    GLY  19           H        GLY  19   2.430  -2.247   2.810
  113    HA2  GLY  19           1HA      GLY  19   2.020  -4.249   1.406
  114    HA3  GLY  19           2HA      GLY  19   3.110  -5.106   2.485
  115    H    LYS  20           H        LYS  20   0.956  -2.809   3.880
  116    HA   LYS  20           HA       LYS  20  -0.319  -4.848   5.439
  117    HB2  LYS  20           1HB      LYS  20  -0.379  -1.875   5.328
  118    HB3  LYS  20           2HB      LYS  20  -1.756  -2.685   6.063
  119    HG2  LYS  20           1HG      LYS  20   0.009  -3.947   7.453
  120    HG3  LYS  20           2HG      LYS  20   1.103  -2.660   6.940
  121    HD2  LYS  20           1HD      LYS  20  -0.056  -1.034   8.100
  122    HD3  LYS  20           2HD      LYS  20  -1.561  -1.956   8.096
  123    HE2  LYS  20           1HE      LYS  20   0.875  -2.843   9.619
  124    HE3  LYS  20           2HE      LYS  20  -0.332  -1.763  10.314
  125    HZ1  LYS  20           3HZ      LYS  20  -1.715  -3.452  10.661
  126    HZ2  LYS  20           1HZ      LYS  20  -0.414  -4.484  10.339
  127    HZ3  LYS  20           2HZ      LYS  20  -1.498  -4.080   9.105
  128    H    THR  21           H        THR  21  -2.873  -4.317   5.743
  129    HA   THR  21           HA       THR  21  -4.186  -4.056   3.159
  130    HB   THR  21           HB       THR  21  -5.412  -6.162   3.358
  131    HG1  THR  21           HG1      THR  21  -4.812  -6.144   5.811
  132   HG21  THR  21          3HG2      THR  21  -3.469  -6.296   1.995
  133   HG22  THR  21          1HG2      THR  21  -3.465  -7.738   3.009
  134   HG23  THR  21          2HG2      THR  21  -2.406  -6.382   3.399
  135    H    PHE  22           H        PHE  22  -6.343  -3.475   3.295
  136    HA   PHE  22           HA       PHE  22  -7.589  -3.342   5.931
  137    HB2  PHE  22           1HB      PHE  22  -7.588  -0.885   4.197
  138    HB3  PHE  22           2HB      PHE  22  -7.983  -1.025   5.907
  139    HD1  PHE  22           HD2      PHE  22  -5.128  -1.459   3.556
  140    HD2  PHE  22           HD1      PHE  22  -6.412  -0.418   7.478
  141    HE1  PHE  22           HE2      PHE  22  -2.825  -0.814   4.135
  142    HE2  PHE  22           HE1      PHE  22  -4.112   0.230   8.063
  143    HZ   PHE  22           HZ       PHE  22  -2.315   0.031   6.391
  144    H    SER  23           H        SER  23  -9.769  -3.572   5.889
  145    HA   SER  23           HA       SER  23 -11.019  -4.684   3.670
  146    HB2  SER  23           1HB      SER  23 -11.832  -4.941   5.993
  147    HB3  SER  23           2HB      SER  23 -12.345  -3.253   5.988
  148    HG   SER  23           HG       SER  23 -13.958  -4.966   5.448
  149    H    HIS  24           H        HIS  24 -11.374  -1.384   4.966
  150    HA   HIS  24           HA       HIS  24 -12.607  -0.578   2.426
  151    HB2  HIS  24           1HB      HIS  24 -12.764   0.440   5.225
  152    HB3  HIS  24           2HB      HIS  24 -12.971   1.596   3.912
  153    HD1  HIS  24           HD1      HIS  24 -14.686  -1.130   5.720
  154    HD2  HIS  24           HD2      HIS  24 -15.271   1.128   2.282
  155    HE1  HIS  24           HE1      HIS  24 -17.084  -1.513   5.064
  156    H    SER  25           H        SER  25 -11.933   1.386   1.402
  157    HA   SER  25           HA       SER  25  -9.137   1.633   1.171
  158    HB2  SER  25           1HB      SER  25 -10.801   2.199  -0.618
  159    HB3  SER  25           2HB      SER  25 -11.211   3.654   0.290
  160    HG   SER  25           HG       SER  25  -8.758   2.985  -0.947
  161    H    ALA  26           H        ALA  26 -11.540   3.846   2.594
  162    HA   ALA  26           HA       ALA  26 -10.089   5.945   3.410
  163    HB1  ALA  26           3HB      ALA  26 -11.899   4.571   5.375
  164    HB2  ALA  26           1HB      ALA  26 -11.608   6.298   5.167
  165    HB3  ALA  26           2HB      ALA  26 -12.515   5.403   3.947
  166    H    HIS  27           H        HIS  27 -10.025   2.754   4.929
  167    HA   HIS  27           HA       HIS  27  -8.366   3.449   7.105
  168    HB2  HIS  27           1HB      HIS  27  -8.812   0.792   5.734
  169    HB3  HIS  27           2HB      HIS  27  -7.926   0.989   7.243
  170    HD1  HIS  27           HD1      HIS  27 -11.035  -0.138   6.242
  171    HD2  HIS  27           HD2      HIS  27  -9.853   2.658   9.080
  172    HE1  HIS  27           HE1      HIS  27 -12.965   0.052   7.843
  173    H    LEU  28           H        LEU  28  -7.655   2.180   3.876
  174    HA   LEU  28           HA       LEU  28  -4.873   1.881   4.261
  175    HB2  LEU  28           1HB      LEU  28  -5.760   0.711   2.455
  176    HB3  LEU  28           2HB      LEU  28  -6.642   2.115   1.858
  177    HG   LEU  28           HG       LEU  28  -4.488   3.119   1.161
  178   HD11  LEU  28          1HD1      LEU  28  -2.625   2.326   2.074
  179   HD12  LEU  28          2HD1      LEU  28  -2.800   0.918   1.026
  180   HD13  LEU  28          3HD1      LEU  28  -3.448   0.883   2.666
  181   HD21  LEU  28          3HD2      LEU  28  -4.472   2.029  -0.847
  182   HD22  LEU  28          1HD2      LEU  28  -6.007   1.448  -0.201
  183   HD23  LEU  28          2HD2      LEU  28  -4.569   0.430  -0.108
  184    H    SER  29           H        SER  29  -6.658   4.399   2.467
  185    HA   SER  29           HA       SER  29  -4.568   6.082   1.881
  186    HB2  SER  29           1HB      SER  29  -6.189   7.855   1.653
  187    HB3  SER  29           2HB      SER  29  -6.944   6.352   1.122
  188    HG   SER  29           HG       SER  29  -8.281   7.615   2.527
  189    H    LYS  30           H        LYS  30  -6.423   5.883   4.881
  190    HA   LYS  30           HA       LYS  30  -5.213   8.112   6.143
  191    HB2  LYS  30           1HB      LYS  30  -7.370   6.698   6.736
  192    HB3  LYS  30           2HB      LYS  30  -6.236   5.806   7.742
  193    HG2  LYS  30           1HG      LYS  30  -5.611   7.919   8.853
  194    HG3  LYS  30           2HG      LYS  30  -6.835   8.753   7.893
  195    HD2  LYS  30           1HD      LYS  30  -8.013   8.336   9.820
  196    HD3  LYS  30           2HD      LYS  30  -8.414   6.900   8.875
  197    HE2  LYS  30           1HE      LYS  30  -7.840   5.968  10.900
  198    HE3  LYS  30           2HE      LYS  30  -6.304   5.898  10.037
  199    HZ1  LYS  30           3HZ      LYS  30  -5.402   7.535  11.317
  200    HZ2  LYS  30           1HZ      LYS  30  -6.452   6.850  12.454
  201    HZ3  LYS  30           2HZ      LYS  30  -6.888   8.273  11.650
  202    H    HIS  31           H        HIS  31  -4.520   4.639   6.197
  203    HA   HIS  31           HA       HIS  31  -2.405   4.817   8.087
  204    HB2  HIS  31           1HB      HIS  31  -3.213   2.665   7.970
  205    HB3  HIS  31           2HB      HIS  31  -3.436   2.728   6.224
  206    HD1  HIS  31           HD1      HIS  31  -0.897   1.954   8.849
  207    HD2  HIS  31           HD2      HIS  31  -1.192   2.001   4.706
  208    HE1  HIS  31           HE1      HIS  31   1.144   0.745   8.016
  209    H    GLN  32           H        GLN  32  -2.635   5.689   4.830
  210    HA   GLN  32           HA       GLN  32   0.110   5.196   4.121
  211    HB2  GLN  32           1HB      GLN  32  -2.151   6.680   2.797
  212    HB3  GLN  32           2HB      GLN  32  -0.520   6.701   2.140
  213    HG2  GLN  32           1HG      GLN  32  -0.709   4.118   2.275
  214    HG3  GLN  32           2HG      GLN  32  -2.442   4.430   2.354
  215   HE21  GLN  32          1HE2      GLN  32  -1.625   2.994   0.292
  216   HE22  GLN  32          2HE2      GLN  32  -1.629   3.914  -1.170
  217    H    LEU  33           H        LEU  33  -1.773   7.875   5.364
  218    HA   LEU  33           HA       LEU  33   0.015   9.967   4.893
  219    HB2  LEU  33           1HB      LEU  33  -1.855   9.596   7.228
  220    HB3  LEU  33           2HB      LEU  33  -1.105  11.116   6.744
  221    HG   LEU  33           HG       LEU  33  -2.943   9.600   4.912
  222   HD11  LEU  33          1HD1      LEU  33  -4.781  10.942   5.692
  223   HD12  LEU  33          2HD1      LEU  33  -3.740  11.761   6.855
  224   HD13  LEU  33          3HD1      LEU  33  -4.102  10.046   7.051
  225   HD21  LEU  33          3HD2      LEU  33  -1.497  12.134   4.872
  226   HD22  LEU  33          1HD2      LEU  33  -3.208  12.292   4.475
  227   HD23  LEU  33          2HD2      LEU  33  -2.185  11.198   3.544
  228    H    ILE  34           H        ILE  34   0.261   7.299   7.004
  229    HA   ILE  34           HA       ILE  34   2.005   8.506   8.932
  230    HB   ILE  34           HB       ILE  34   2.131   6.444   9.967
  231   HG12  ILE  34          1HG1      ILE  34   1.757   5.257   7.221
  232   HG13  ILE  34          2HG1      ILE  34   3.148   5.109   8.289
  233   HG21  ILE  34          1HG2      ILE  34  -0.410   6.046   8.411
  234   HG22  ILE  34          2HG2      ILE  34  -0.065   5.591  10.079
  235   HG23  ILE  34          3HG2      ILE  34  -0.235   7.292   9.647
  236   HD11  ILE  34          3HD1      ILE  34   0.536   3.692   8.366
  237   HD12  ILE  34          1HD1      ILE  34   2.173   3.057   8.531
  238   HD13  ILE  34          2HD1      ILE  34   1.428   3.936   9.867
  239    H    HIS  35           H        HIS  35   2.397   6.777   5.915
  240    HA   HIS  35           HA       HIS  35   5.191   6.291   6.188
  241    HB2  HIS  35           1HB      HIS  35   3.263   6.224   3.885
  242    HB3  HIS  35           2HB      HIS  35   4.993   6.044   3.610
  243    HD1  HIS  35           HD1      HIS  35   6.071   4.047   5.263
  244    HD2  HIS  35           HD2      HIS  35   2.041   3.852   4.270
  245    HE1  HIS  35           HE1      HIS  35   5.394   1.658   5.662
  246    H    ALA  36           H        ALA  36   3.258   8.913   4.889
  247    HA   ALA  36           HA       ALA  36   5.593  10.285   3.835
  248    HB1  ALA  36           3HB      ALA  36   3.190  11.881   3.889
  249    HB2  ALA  36           1HB      ALA  36   4.143  11.326   2.512
  250    HB3  ALA  36           2HB      ALA  36   2.885  10.291   3.190
  251    H    GLY  37           H        GLY  37   6.882  11.101   5.392
  252    HA2  GLY  37           1HA      GLY  37   5.609  12.604   7.587
  253    HA3  GLY  37           2HA      GLY  37   7.208  11.879   7.662
  254    H    GLU  38           H        GLU  38   5.442  14.693   7.029
  255    HA   GLU  38           HA       GLU  38   7.699  15.969   5.657
  256    HB2  GLU  38           1HB      GLU  38   4.828  16.812   6.045
  257    HB3  GLU  38           2HB      GLU  38   6.055  17.878   5.375
  258    HG2  GLU  38           1HG      GLU  38   6.446  15.913   3.708
  259    HG3  GLU  38           2HG      GLU  38   4.823  15.434   4.200
  260    H    ASN  39           H        ASN  39   9.012  16.013   7.572
  261    HA   ASN  39           HA       ASN  39   8.811  18.460   8.992
  262    HB2  ASN  39           1HB      ASN  39   8.711  17.327  11.294
  263    HB3  ASN  39           2HB      ASN  39   7.200  17.473  10.400
  264   HD21  ASN  39          1HD2      ASN  39   6.888  15.724  12.168
  265   HD22  ASN  39          2HD2      ASN  39   7.103  14.098  11.626
  266    HA   PRO  40           HA       PRO  40  13.127  17.761   9.390
  267    HB2  PRO  40           1HB      PRO  40  13.701  19.254  11.582
  268    HB3  PRO  40           2HB      PRO  40  13.305  19.965  10.013
  269    HG2  PRO  40           1HG      PRO  40  11.554  19.565  12.408
  270    HG3  PRO  40           2HG      PRO  40  11.679  20.972  11.336
  271    HD2  PRO  40           1HD      PRO  40   9.684  19.153  11.125
  272    HD3  PRO  40           2HD      PRO  40  10.341  20.018   9.720
  273    H    SER  41           H        SER  41  13.623  15.693   9.920
  274    HA   SER  41           HA       SER  41  13.108  14.718  12.619
  275    HB2  SER  41           1HB      SER  41  12.536  13.125  10.962
  276    HB3  SER  41           2HB      SER  41  14.035  13.392  10.074
  277    HG   SER  41           HG       SER  41  14.298  11.517  11.209
  278    H    GLY  42           H        GLY  42  15.897  14.817  10.389
  279    HA2  GLY  42           1HA      GLY  42  17.727  15.972  12.091
  280    HA3  GLY  42           2HA      GLY  42  17.780  14.255  12.462
  281    HA   PRO  43           HA       PRO  43  20.375  13.396   9.038
  282    HB2  PRO  43           1HB      PRO  43  19.211  11.301   7.763
  283    HB3  PRO  43           2HB      PRO  43  19.993  11.151   9.341
  284    HG2  PRO  43           1HG      PRO  43  17.085  11.423   8.686
  285    HG3  PRO  43           2HG      PRO  43  17.871  10.355   9.862
  286    HD2  PRO  43           1HD      PRO  43  16.649  12.662  10.580
  287    HD3  PRO  43           2HD      PRO  43  18.067  12.025  11.439
  288    H    SER  44           H        SER  44  20.446  13.023   6.589
  289    HA   SER  44           HA       SER  44  18.375  14.671   5.291
  290    HB2  SER  44           1HB      SER  44  21.342  14.575   4.696
  291    HB3  SER  44           2HB      SER  44  20.154  15.469   3.748
  292    HG   SER  44           HG       SER  44  20.625  17.003   5.118
  293    H    SER  45           H        SER  45  20.951  12.321   4.540
  294    HA   SER  45           HA       SER  45  19.270  11.275   2.370
  295    HB2  SER  45           1HB      SER  45  22.218  10.816   2.886
  296    HB3  SER  45           2HB      SER  45  21.311  10.276   1.473
  297    HG   SER  45           HG       SER  45  21.379  12.233   0.671
  298    H    GLY  46           H        GLY  46  17.961   9.735   3.166
  299    HA2  GLY  46           1HA      GLY  46  17.267   7.816   4.223
  300    HA3  GLY  46           2HA      GLY  46  18.851   7.194   3.787
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1   4.473 -17.420  23.416
    2    HA2  GLY   1           1HA      GLY   1   4.089 -18.126  20.719
    3    HA3  GLY   1           2HA      GLY   1   2.819 -17.676  21.846
    4    H    SER   2           H        SER   2   4.468 -16.806  19.058
    5    HA   SER   2           HA       SER   2   3.252 -14.127  19.139
    6    HB2  SER   2           1HB      SER   2   5.612 -13.760  19.416
    7    HB3  SER   2           2HB      SER   2   5.994 -14.871  18.101
    8    HG   SER   2           HG       SER   2   5.443 -13.388  16.661
    9    H    SER   3           H        SER   3   1.473 -14.882  17.965
   10    HA   SER   3           HA       SER   3   1.735 -16.303  15.511
   11    HB2  SER   3           1HB      SER   3  -0.612 -14.712  16.576
   12    HB3  SER   3           2HB      SER   3  -0.670 -15.863  15.241
   13    HG   SER   3           HG       SER   3  -0.872 -16.342  17.856
   14    H    GLY   4           H        GLY   4   1.384 -15.561  13.388
   15    HA2  GLY   4           1HA      GLY   4   1.755 -12.648  13.045
   16    HA3  GLY   4           2HA      GLY   4   2.606 -13.831  12.062
   17    H    SER   5           H        SER   5   1.100 -15.407  10.889
   18    HA   SER   5           HA       SER   5  -0.752 -13.815   9.359
   19    HB2  SER   5           1HB      SER   5   0.810 -15.517   8.351
   20    HB3  SER   5           2HB      SER   5  -0.186 -16.774   9.084
   21    HG   SER   5           HG       SER   5  -0.926 -16.462   7.016
   22    H    SER   6           H        SER   6  -2.959 -14.381   8.962
   23    HA   SER   6           HA       SER   6  -4.225 -15.627  11.304
   24    HB2  SER   6           1HB      SER   6  -5.447 -13.758   9.259
   25    HB3  SER   6           2HB      SER   6  -6.221 -14.346  10.730
   26    HG   SER   6           HG       SER   6  -3.770 -12.976  10.878
   27    H    GLY   7           H        GLY   7  -4.891 -15.261   7.812
   28    HA2  GLY   7           1HA      GLY   7  -4.998 -17.334   6.475
   29    HA3  GLY   7           2HA      GLY   7  -5.850 -18.057   7.832
   30    H    THR   8           H        THR   8  -6.789 -17.978   5.151
   31    HA   THR   8           HA       THR   8  -8.502 -17.177   3.815
   32    HB   THR   8           HB       THR   8  -9.548 -18.866   5.261
   33    HG1  THR   8           HG1      THR   8 -11.199 -18.265   4.082
   34   HG21  THR   8          3HG2      THR   8  -9.397 -18.216   7.458
   35   HG22  THR   8          1HG2      THR   8 -11.065 -17.759   7.115
   36   HG23  THR   8          2HG2      THR   8  -9.795 -16.535   7.103
   37    H    LYS   9           H        LYS   9  -7.095 -14.972   4.588
   38    HA   LYS   9           HA       LYS   9  -9.240 -13.002   4.960
   39    HB2  LYS   9           1HB      LYS   9  -6.694 -13.255   6.510
   40    HB3  LYS   9           2HB      LYS   9  -7.345 -11.652   6.197
   41    HG2  LYS   9           1HG      LYS   9  -8.963 -13.848   7.456
   42    HG3  LYS   9           2HG      LYS   9  -7.989 -12.710   8.390
   43    HD2  LYS   9           1HD      LYS   9  -9.314 -10.939   6.941
   44    HD3  LYS   9           2HD      LYS   9 -10.487 -12.254   6.836
   45    HE2  LYS   9           1HE      LYS   9 -10.394 -12.410   9.336
   46    HE3  LYS   9           2HE      LYS   9  -9.415 -10.944   9.329
   47    HZ1  LYS   9           3HZ      LYS   9 -11.223  -9.705   9.092
   48    HZ2  LYS   9           1HZ      LYS   9 -12.158 -11.091   9.353
   49    HZ3  LYS   9           2HZ      LYS   9 -11.774 -10.615   7.777
   50    H    GLU  10           H        GLU  10  -9.321 -11.816   3.177
   51    HA   GLU  10           HA       GLU  10  -6.835 -10.777   2.044
   52    HB2  GLU  10           1HB      GLU  10  -7.603 -12.892   0.820
   53    HB3  GLU  10           2HB      GLU  10  -8.960 -11.932   0.248
   54    HG2  GLU  10           1HG      GLU  10  -7.559 -10.485  -0.969
   55    HG3  GLU  10           2HG      GLU  10  -6.111 -11.088  -0.164
   56    H    HIS  11           H        HIS  11  -7.001  -8.658   1.784
   57    HA   HIS  11           HA       HIS  11  -9.687  -7.480   1.535
   58    HB2  HIS  11           1HB      HIS  11  -7.215  -5.988   2.392
   59    HB3  HIS  11           2HB      HIS  11  -8.902  -5.545   2.642
   60    HD1  HIS  11           HD1      HIS  11  -7.028  -5.601   5.033
   61    HD2  HIS  11           HD2      HIS  11  -9.293  -8.867   3.825
   62    HE1  HIS  11           HE1      HIS  11  -7.260  -7.050   7.075
   63    HA   PRO  12           HA       PRO  12  -8.711  -6.092  -2.524
   64    HB2  PRO  12           1HB      PRO  12 -10.425  -3.993  -2.693
   65    HB3  PRO  12           2HB      PRO  12 -10.958  -5.677  -2.762
   66    HG2  PRO  12           1HG      PRO  12 -10.985  -3.774  -0.451
   67    HG3  PRO  12           2HG      PRO  12 -12.234  -4.920  -0.971
   68    HD2  PRO  12           1HD      PRO  12 -10.546  -5.438   1.082
   69    HD3  PRO  12           2HD      PRO  12 -11.181  -6.713   0.023
   70    H    PHE  13           H        PHE  13  -8.242  -4.162   0.273
   71    HA   PHE  13           HA       PHE  13  -6.677  -2.212  -1.286
   72    HB2  PHE  13           1HB      PHE  13  -7.927  -1.883   1.450
   73    HB3  PHE  13           2HB      PHE  13  -6.970  -0.666   0.613
   74    HD1  PHE  13           HD2      PHE  13  -7.852   0.428  -1.408
   75    HD2  PHE  13           HD1      PHE  13 -10.205  -2.272   0.893
   76    HE1  PHE  13           HE2      PHE  13  -9.887   1.277  -2.499
   77    HE2  PHE  13           HE1      PHE  13 -12.244  -1.427  -0.195
   78    HZ   PHE  13           HZ       PHE  13 -12.086   0.350  -1.893
   79    H    LYS  14           H        LYS  14  -4.563  -2.512  -1.174
   80    HA   LYS  14           HA       LYS  14  -3.398  -3.444   1.362
   81    HB2  LYS  14           1HB      LYS  14  -3.507  -5.248  -0.407
   82    HB3  LYS  14           2HB      LYS  14  -2.396  -4.276  -1.362
   83    HG2  LYS  14           1HG      LYS  14  -0.982  -4.363   0.876
   84    HG3  LYS  14           2HG      LYS  14  -1.910  -5.848   1.102
   85    HD2  LYS  14           1HD      LYS  14  -0.066  -6.629  -0.040
   86    HD3  LYS  14           2HD      LYS  14  -1.194  -6.329  -1.364
   87    HE2  LYS  14           1HE      LYS  14   0.613  -4.123  -0.517
   88    HE3  LYS  14           2HE      LYS  14   1.302  -5.460  -1.437
   89    HZ1  LYS  14           3HZ      LYS  14  -0.766  -3.525  -2.259
   90    HZ2  LYS  14           1HZ      LYS  14  -0.654  -5.032  -3.020
   91    HZ3  LYS  14           2HZ      LYS  14   0.658  -3.966  -3.060
   92    H    CYS  15           H        CYS  15  -1.754  -2.248   2.095
   93    HA   CYS  15           HA       CYS  15  -0.998   0.134   0.717
   94    HB2  CYS  15           1HB      CYS  15  -1.159  -0.044   3.197
   95    HB3  CYS  15           2HB      CYS  15   0.254  -1.095   3.181
   96    H    ASN  16           H        ASN  16   0.476   0.303  -0.826
   97    HA   ASN  16           HA       ASN  16   2.296  -1.852  -1.392
   98    HB2  ASN  16           1HB      ASN  16   1.190  -0.532  -3.184
   99    HB3  ASN  16           2HB      ASN  16   2.110   0.882  -2.677
  100   HD21  ASN  16          1HD2      ASN  16   2.670  -2.520  -3.523
  101   HD22  ASN  16          2HD2      ASN  16   4.077  -2.225  -4.482
  102    H    GLU  17           H        GLU  17   2.374   0.843   0.617
  103    HA   GLU  17           HA       GLU  17   5.148   1.500   0.379
  104    HB2  GLU  17           1HB      GLU  17   3.365   2.060   2.746
  105    HB3  GLU  17           2HB      GLU  17   4.811   2.933   2.260
  106    HG2  GLU  17           1HG      GLU  17   3.404   3.336   0.065
  107    HG3  GLU  17           2HG      GLU  17   2.057   3.063   1.168
  108    H    CYS  18           H        CYS  18   3.229  -0.525   2.548
  109    HA   CYS  18           HA       CYS  18   5.743  -1.690   3.551
  110    HB2  CYS  18           1HB      CYS  18   4.590  -2.094   5.708
  111    HB3  CYS  18           2HB      CYS  18   4.739  -0.381   5.331
  112    H    GLY  19           H        GLY  19   2.317  -2.228   2.842
  113    HA2  GLY  19           1HA      GLY  19   1.912  -4.255   1.445
  114    HA3  GLY  19           2HA      GLY  19   2.920  -5.112   2.602
  115    H    LYS  20           H        LYS  20   1.023  -2.791   4.124
  116    HA   LYS  20           HA       LYS  20  -0.464  -4.705   5.572
  117    HB2  LYS  20           1HB      LYS  20  -0.404  -1.736   5.394
  118    HB3  LYS  20           2HB      LYS  20  -1.835  -2.472   6.103
  119    HG2  LYS  20           1HG      LYS  20  -0.009  -3.805   7.485
  120    HG3  LYS  20           2HG      LYS  20   0.950  -2.370   7.113
  121    HD2  LYS  20           1HD      LYS  20  -0.623  -0.940   8.176
  122    HD3  LYS  20           2HD      LYS  20  -1.812  -2.238   8.307
  123    HE2  LYS  20           1HE      LYS  20   0.048  -3.419   9.700
  124    HE3  LYS  20           2HE      LYS  20   0.690  -1.787   9.879
  125    HZ1  LYS  20           3HZ      LYS  20  -2.030  -1.642  10.401
  126    HZ2  LYS  20           1HZ      LYS  20  -0.758  -1.480  11.506
  127    HZ3  LYS  20           2HZ      LYS  20  -1.463  -2.995  11.242
  128    H    THR  21           H        THR  21  -2.932  -4.471   5.777
  129    HA   THR  21           HA       THR  21  -4.218  -4.044   3.181
  130    HB   THR  21           HB       THR  21  -5.423  -6.160   3.293
  131    HG1  THR  21           HG1      THR  21  -5.139  -7.569   4.940
  132   HG21  THR  21          3HG2      THR  21  -3.057  -7.587   3.436
  133   HG22  THR  21          1HG2      THR  21  -2.536  -5.960   3.000
  134   HG23  THR  21          2HG2      THR  21  -3.716  -6.806   1.998
  135    H    PHE  22           H        PHE  22  -6.389  -3.497   3.285
  136    HA   PHE  22           HA       PHE  22  -7.660  -3.390   5.915
  137    HB2  PHE  22           1HB      PHE  22  -7.697  -0.963   4.135
  138    HB3  PHE  22           2HB      PHE  22  -8.145  -1.083   5.833
  139    HD1  PHE  22           HD2      PHE  22  -5.254  -1.260   3.520
  140    HD2  PHE  22           HD1      PHE  22  -6.593  -0.628   7.510
  141    HE1  PHE  22           HE2      PHE  22  -2.990  -0.543   4.162
  142    HE2  PHE  22           HE1      PHE  22  -4.331   0.091   8.159
  143    HZ   PHE  22           HZ       PHE  22  -2.525   0.133   6.484
  144    H    SER  23           H        SER  23  -9.812  -3.750   5.866
  145    HA   SER  23           HA       SER  23 -11.007  -4.844   3.585
  146    HB2  SER  23           1HB      SER  23 -13.136  -4.684   4.889
  147    HB3  SER  23           2HB      SER  23 -11.813  -5.423   5.791
  148    HG   SER  23           HG       SER  23 -11.533  -2.996   6.416
  149    H    HIS  24           H        HIS  24 -10.786  -1.572   4.700
  150    HA   HIS  24           HA       HIS  24 -12.437  -0.717   2.415
  151    HB2  HIS  24           1HB      HIS  24 -12.504   0.158   5.259
  152    HB3  HIS  24           2HB      HIS  24 -12.736   1.394   4.027
  153    HD1  HIS  24           HD1      HIS  24 -14.969   0.452   6.029
  154    HD2  HIS  24           HD2      HIS  24 -14.534  -0.846   2.107
  155    HE1  HIS  24           HE1      HIS  24 -17.246  -0.353   5.331
  156    H    SER  25           H        SER  25 -11.897   1.444   1.590
  157    HA   SER  25           HA       SER  25  -9.079   1.709   1.235
  158    HB2  SER  25           1HB      SER  25  -9.591   3.433  -0.322
  159    HB3  SER  25           2HB      SER  25 -10.888   2.249  -0.478
  160    HG   SER  25           HG       SER  25 -11.635   4.439  -0.350
  161    H    ALA  26           H        ALA  26 -11.527   3.896   2.633
  162    HA   ALA  26           HA       ALA  26 -10.141   6.003   3.483
  163    HB1  ALA  26           3HB      ALA  26 -11.984   4.476   5.316
  164    HB2  ALA  26           1HB      ALA  26 -11.589   6.193   5.404
  165    HB3  ALA  26           2HB      ALA  26 -12.509   5.567   4.034
  166    H    HIS  27           H        HIS  27  -9.984   2.815   5.010
  167    HA   HIS  27           HA       HIS  27  -8.315   3.550   7.161
  168    HB2  HIS  27           1HB      HIS  27  -8.606   0.865   5.799
  169    HB3  HIS  27           2HB      HIS  27  -7.855   1.136   7.368
  170    HD1  HIS  27           HD1      HIS  27 -10.765  -0.254   6.224
  171    HD2  HIS  27           HD2      HIS  27 -10.054   2.812   8.936
  172    HE1  HIS  27           HE1      HIS  27 -12.836  -0.119   7.644
  173    H    LEU  28           H        LEU  28  -7.576   2.174   3.970
  174    HA   LEU  28           HA       LEU  28  -4.799   1.982   4.306
  175    HB2  LEU  28           1HB      LEU  28  -5.805   0.827   2.503
  176    HB3  LEU  28           2HB      LEU  28  -6.528   2.304   1.868
  177    HG   LEU  28           HG       LEU  28  -4.300   3.104   1.221
  178   HD11  LEU  28          1HD1      LEU  28  -2.472   2.242   2.124
  179   HD12  LEU  28          2HD1      LEU  28  -2.815   0.698   1.344
  180   HD13  LEU  28          3HD1      LEU  28  -3.439   1.027   2.960
  181   HD21  LEU  28          3HD2      LEU  28  -5.448   0.568   0.196
  182   HD22  LEU  28          1HD2      LEU  28  -3.855   1.042  -0.392
  183   HD23  LEU  28          2HD2      LEU  28  -5.231   2.124  -0.608
  184    H    SER  29           H        SER  29  -6.600   4.466   2.480
  185    HA   SER  29           HA       SER  29  -4.551   6.191   1.922
  186    HB2  SER  29           1HB      SER  29  -6.928   6.434   1.166
  187    HB3  SER  29           2HB      SER  29  -7.323   7.068   2.763
  188    HG   SER  29           HG       SER  29  -5.196   8.252   1.412
  189    H    LYS  30           H        LYS  30  -6.385   5.937   4.929
  190    HA   LYS  30           HA       LYS  30  -5.184   8.180   6.193
  191    HB2  LYS  30           1HB      LYS  30  -7.356   6.777   6.770
  192    HB3  LYS  30           2HB      LYS  30  -6.234   5.886   7.790
  193    HG2  LYS  30           1HG      LYS  30  -5.626   7.966   8.929
  194    HG3  LYS  30           2HG      LYS  30  -6.771   8.848   7.916
  195    HD2  LYS  30           1HD      LYS  30  -7.906   8.446   9.941
  196    HD3  LYS  30           2HD      LYS  30  -8.546   7.258   8.803
  197    HE2  LYS  30           1HE      LYS  30  -7.028   5.569   9.726
  198    HE3  LYS  30           2HE      LYS  30  -6.400   6.759  10.865
  199    HZ1  LYS  30           3HZ      LYS  30  -9.285   6.174  10.788
  200    HZ2  LYS  30           1HZ      LYS  30  -8.349   6.767  12.067
  201    HZ3  LYS  30           2HZ      LYS  30  -8.237   5.139  11.620
  202    H    HIS  31           H        HIS  31  -4.515   4.703   6.244
  203    HA   HIS  31           HA       HIS  31  -2.398   4.885   8.143
  204    HB2  HIS  31           1HB      HIS  31  -3.257   2.746   8.073
  205    HB3  HIS  31           2HB      HIS  31  -3.461   2.770   6.323
  206    HD1  HIS  31           HD1      HIS  31  -0.945   2.049   8.993
  207    HD2  HIS  31           HD2      HIS  31  -1.232   1.939   4.849
  208    HE1  HIS  31           HE1      HIS  31   1.080   0.778   8.212
  209    H    GLN  32           H        GLN  32  -2.633   5.687   4.868
  210    HA   GLN  32           HA       GLN  32   0.102   5.135   4.159
  211    HB2  GLN  32           1HB      GLN  32  -2.140   6.619   2.804
  212    HB3  GLN  32           2HB      GLN  32  -0.513   6.588   2.140
  213    HG2  GLN  32           1HG      GLN  32  -0.808   3.989   2.424
  214    HG3  GLN  32           2HG      GLN  32  -2.519   4.409   2.357
  215   HE21  GLN  32          1HE2      GLN  32  -0.282   3.186   0.521
  216   HE22  GLN  32          2HE2      GLN  32  -0.649   3.893  -1.013
  217    H    LEU  33           H        LEU  33  -1.745   7.879   5.319
  218    HA   LEU  33           HA       LEU  33   0.073   9.929   4.792
  219    HB2  LEU  33           1HB      LEU  33  -1.828   9.630   7.113
  220    HB3  LEU  33           2HB      LEU  33  -1.020  11.126   6.651
  221    HG   LEU  33           HG       LEU  33  -2.821   9.700   4.725
  222   HD11  LEU  33          1HD1      LEU  33  -3.927  11.904   6.362
  223   HD12  LEU  33          2HD1      LEU  33  -3.807  10.316   7.121
  224   HD13  LEU  33          3HD1      LEU  33  -4.732  10.514   5.632
  225   HD21  LEU  33          3HD2      LEU  33  -3.126  12.022   3.902
  226   HD22  LEU  33          1HD2      LEU  33  -1.460  11.453   3.804
  227   HD23  LEU  33          2HD2      LEU  33  -1.939  12.560   5.091
  228    H    ILE  34           H        ILE  34   0.311   7.306   6.945
  229    HA   ILE  34           HA       ILE  34   2.075   8.552   8.841
  230    HB   ILE  34           HB       ILE  34   2.160   6.529   9.950
  231   HG12  ILE  34          1HG1      ILE  34   1.760   5.247   7.250
  232   HG13  ILE  34          2HG1      ILE  34   3.151   5.115   8.321
  233   HG21  ILE  34          1HG2      ILE  34  -0.380   6.024   8.445
  234   HG22  ILE  34          2HG2      ILE  34  -0.040   5.797  10.159
  235   HG23  ILE  34          3HG2      ILE  34  -0.210   7.425   9.503
  236   HD11  ILE  34          3HD1      ILE  34   1.400   4.040   9.943
  237   HD12  ILE  34          1HD1      ILE  34   0.523   3.738   8.444
  238   HD13  ILE  34          2HD1      ILE  34   2.151   3.094   8.658
  239    H    HIS  35           H        HIS  35   2.408   6.814   5.841
  240    HA   HIS  35           HA       HIS  35   5.204   6.259   6.133
  241    HB2  HIS  35           1HB      HIS  35   3.254   6.107   3.851
  242    HB3  HIS  35           2HB      HIS  35   4.980   5.893   3.573
  243    HD1  HIS  35           HD1      HIS  35   6.049   3.956   5.293
  244    HD2  HIS  35           HD2      HIS  35   2.002   3.777   4.372
  245    HE1  HIS  35           HE1      HIS  35   5.346   1.598   5.811
  246    H    ALA  36           H        ALA  36   3.280   8.841   4.747
  247    HA   ALA  36           HA       ALA  36   5.525  10.124   3.477
  248    HB1  ALA  36           3HB      ALA  36   3.308  11.898   3.838
  249    HB2  ALA  36           1HB      ALA  36   3.934  11.183   2.352
  250    HB3  ALA  36           2HB      ALA  36   2.725  10.321   3.306
  251    H    GLY  37           H        GLY  37   3.484  10.804   6.317
  252    HA2  GLY  37           1HA      GLY  37   3.824  12.171   8.132
  253    HA3  GLY  37           2HA      GLY  37   5.505  11.678   7.987
  254    H    GLU  38           H        GLU  38   3.126  14.067   6.960
  255    HA   GLU  38           HA       GLU  38   5.321  15.857   6.170
  256    HB2  GLU  38           1HB      GLU  38   3.655  17.136   4.938
  257    HB3  GLU  38           2HB      GLU  38   3.614  15.448   4.449
  258    HG2  GLU  38           1HG      GLU  38   1.711  15.205   6.147
  259    HG3  GLU  38           2HG      GLU  38   1.644  16.966   6.114
  260    H    ASN  39           H        ASN  39   5.961  17.084   7.820
  261    HA   ASN  39           HA       ASN  39   4.094  18.859   9.090
  262    HB2  ASN  39           1HB      ASN  39   5.642  17.113  10.982
  263    HB3  ASN  39           2HB      ASN  39   4.228  18.112  11.304
  264   HD21  ASN  39          1HD2      ASN  39   2.237  17.262  11.084
  265   HD22  ASN  39          2HD2      ASN  39   1.922  15.631  10.610
  266    HA   PRO  40           HA       PRO  40   7.699  21.380   9.126
  267    HB2  PRO  40           1HB      PRO  40   6.943  23.215  10.978
  268    HB3  PRO  40           2HB      PRO  40   6.270  23.165   9.345
  269    HG2  PRO  40           1HG      PRO  40   5.125  22.104  11.899
  270    HG3  PRO  40           2HG      PRO  40   4.316  22.992  10.595
  271    HD2  PRO  40           1HD      PRO  40   4.141  20.303  10.852
  272    HD3  PRO  40           2HD      PRO  40   4.110  21.115   9.274
  273    H    SER  41           H        SER  41   6.725  19.488  11.751
  274    HA   SER  41           HA       SER  41   9.167  20.166  13.253
  275    HB2  SER  41           1HB      SER  41   7.155  20.592  14.563
  276    HB3  SER  41           2HB      SER  41   6.579  18.954  14.256
  277    HG   SER  41           HG       SER  41   9.108  19.224  15.389
  278    H    GLY  42           H        GLY  42  10.497  18.507  13.989
  279    HA2  GLY  42           1HA      GLY  42   9.823  15.749  13.374
  280    HA3  GLY  42           2HA      GLY  42  11.143  16.426  12.432
  281    HA   PRO  43           HA       PRO  43  13.026  14.535  16.184
  282    HB2  PRO  43           1HB      PRO  43  15.178  13.535  14.863
  283    HB3  PRO  43           2HB      PRO  43  13.635  12.680  14.972
  284    HG2  PRO  43           1HG      PRO  43  14.727  14.339  12.733
  285    HG3  PRO  43           2HG      PRO  43  13.879  12.783  12.662
  286    HD2  PRO  43           1HD      PRO  43  12.647  15.139  12.148
  287    HD3  PRO  43           2HD      PRO  43  11.804  13.761  12.885
  288    H    SER  44           H        SER  44  15.421  14.749  16.881
  289    HA   SER  44           HA       SER  44  16.082  17.338  17.349
  290    HB2  SER  44           1HB      SER  44  17.191  15.402  18.420
  291    HB3  SER  44           2HB      SER  44  18.080  15.100  16.927
  292    HG   SER  44           HG       SER  44  18.211  17.478  18.474
  293    H    SER  45           H        SER  45  17.422  18.901  16.445
  294    HA   SER  45           HA       SER  45  17.561  18.840  13.561
  295    HB2  SER  45           1HB      SER  45  16.926  20.862  15.027
  296    HB3  SER  45           2HB      SER  45  18.658  21.032  15.314
  297    HG   SER  45           HG       SER  45  17.180  21.475  13.001
  298    H    GLY  46           H        GLY  46  19.952  19.517  16.129
  299    HA2  GLY  46           1HA      GLY  46  21.978  18.202  14.436
  300    HA3  GLY  46           2HA      GLY  46  22.303  19.767  15.166
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1   4.946 -22.518  10.349
    2    HA2  GLY   1           1HA      GLY   1   5.096 -19.613  10.423
    3    HA3  GLY   1           2HA      GLY   1   5.779 -20.375   8.993
    4    H    SER   2           H        SER   2   3.682 -18.587   8.805
    5    HA   SER   2           HA       SER   2   1.340 -20.292   8.288
    6    HB2  SER   2           1HB      SER   2  -0.018 -18.318   8.418
    7    HB3  SER   2           2HB      SER   2   1.071 -18.292   9.805
    8    HG   SER   2           HG       SER   2   2.356 -16.798   8.719
    9    H    SER   3           H        SER   3   3.374 -17.767   6.863
   10    HA   SER   3           HA       SER   3   2.093 -18.077   4.276
   11    HB2  SER   3           1HB      SER   3   2.852 -15.843   5.172
   12    HB3  SER   3           2HB      SER   3   4.513 -16.396   4.959
   13    HG   SER   3           HG       SER   3   2.559 -16.217   2.907
   14    H    GLY   4           H        GLY   4   3.037 -18.934   2.446
   15    HA2  GLY   4           1HA      GLY   4   5.753 -19.943   2.532
   16    HA3  GLY   4           2HA      GLY   4   4.510 -21.186   2.517
   17    H    SER   5           H        SER   5   3.195 -21.434   0.674
   18    HA   SER   5           HA       SER   5   4.499 -21.103  -1.777
   19    HB2  SER   5           1HB      SER   5   1.604 -21.684  -1.131
   20    HB3  SER   5           2HB      SER   5   2.250 -21.707  -2.772
   21    HG   SER   5           HG       SER   5   3.904 -23.188  -1.570
   22    H    SER   6           H        SER   6   1.523 -19.470  -0.671
   23    HA   SER   6           HA       SER   6   2.319 -17.139  -2.286
   24    HB2  SER   6           1HB      SER   6   0.108 -16.823  -3.070
   25    HB3  SER   6           2HB      SER   6   0.412 -18.550  -3.257
   26    HG   SER   6           HG       SER   6  -0.896 -18.979  -1.578
   27    H    GLY   7           H        GLY   7   1.568 -15.088  -1.524
   28    HA2  GLY   7           1HA      GLY   7   1.846 -14.692   1.222
   29    HA3  GLY   7           2HA      GLY   7   1.163 -13.521   0.103
   30    H    THR   8           H        THR   8   0.078 -13.300   2.424
   31    HA   THR   8           HA       THR   8  -2.470 -14.774   2.265
   32    HB   THR   8           HB       THR   8  -2.656 -14.553   4.731
   33    HG1  THR   8           HG1      THR   8  -0.367 -14.178   5.661
   34   HG21  THR   8          3HG2      THR   8  -1.952 -16.677   4.158
   35   HG22  THR   8          1HG2      THR   8  -0.638 -16.151   5.210
   36   HG23  THR   8          2HG2      THR   8  -0.439 -16.102   3.458
   37    H    LYS   9           H        LYS   9  -3.359 -13.071   1.013
   38    HA   LYS   9           HA       LYS   9  -4.276 -10.834   2.643
   39    HB2  LYS   9           1HB      LYS   9  -3.805  -9.229   0.788
   40    HB3  LYS   9           2HB      LYS   9  -2.362  -9.867   1.563
   41    HG2  LYS   9           1HG      LYS   9  -3.378 -11.258  -0.855
   42    HG3  LYS   9           2HG      LYS   9  -2.575  -9.699  -1.058
   43    HD2  LYS   9           1HD      LYS   9  -1.317 -11.844   0.609
   44    HD3  LYS   9           2HD      LYS   9  -1.169 -11.879  -1.150
   45    HE2  LYS   9           1HE      LYS   9  -0.441  -9.387  -0.839
   46    HE3  LYS   9           2HE      LYS   9  -0.094  -9.899   0.812
   47    HZ1  LYS   9           3HZ      LYS   9   1.673 -11.091   0.158
   48    HZ2  LYS   9           1HZ      LYS   9   1.633 -10.104  -1.216
   49    HZ3  LYS   9           2HZ      LYS   9   0.932 -11.642  -1.260
   50    H    GLU  10           H        GLU  10  -6.329 -10.198   2.185
   51    HA   GLU  10           HA       GLU  10  -7.604 -11.323  -0.215
   52    HB2  GLU  10           1HB      GLU  10  -8.303 -12.763   1.555
   53    HB3  GLU  10           2HB      GLU  10  -8.623 -11.403   2.622
   54    HG2  GLU  10           1HG      GLU  10 -10.727 -12.128   1.928
   55    HG3  GLU  10           2HG      GLU  10 -10.398 -10.703   0.945
   56    H    HIS  11           H        HIS  11  -7.695  -8.894   2.344
   57    HA   HIS  11           HA       HIS  11  -9.821  -7.343   1.652
   58    HB2  HIS  11           1HB      HIS  11  -7.079  -6.327   2.430
   59    HB3  HIS  11           2HB      HIS  11  -8.579  -5.410   2.535
   60    HD1  HIS  11           HD1      HIS  11  -7.844  -5.249   5.130
   61    HD2  HIS  11           HD2      HIS  11  -9.058  -8.983   3.773
   62    HE1  HIS  11           HE1      HIS  11  -8.363  -6.580   7.200
   63    HA   PRO  12           HA       PRO  12  -9.166  -5.876  -2.445
   64    HB2  PRO  12           1HB      PRO  12 -10.726  -3.655  -2.364
   65    HB3  PRO  12           2HB      PRO  12 -11.389  -5.293  -2.430
   66    HG2  PRO  12           1HG      PRO  12 -11.034  -3.486  -0.069
   67    HG3  PRO  12           2HG      PRO  12 -12.413  -4.518  -0.491
   68    HD2  PRO  12           1HD      PRO  12 -10.566  -5.237   1.354
   69    HD3  PRO  12           2HD      PRO  12 -11.400  -6.420   0.328
   70    H    PHE  13           H        PHE  13  -8.222  -4.139   0.343
   71    HA   PHE  13           HA       PHE  13  -6.608  -2.317  -1.317
   72    HB2  PHE  13           1HB      PHE  13  -7.714  -1.745   1.440
   73    HB3  PHE  13           2HB      PHE  13  -6.754  -0.646   0.457
   74    HD1  PHE  13           HD2      PHE  13  -7.713   0.316  -1.610
   75    HD2  PHE  13           HD1      PHE  13 -10.042  -2.003   1.094
   76    HE1  PHE  13           HE2      PHE  13  -9.770   1.202  -2.628
   77    HE2  PHE  13           HE1      PHE  13 -12.103  -1.122   0.079
   78    HZ   PHE  13           HZ       PHE  13 -11.969   0.484  -1.783
   79    H    LYS  14           H        LYS  14  -4.494  -2.608  -1.139
   80    HA   LYS  14           HA       LYS  14  -3.395  -3.617   1.391
   81    HB2  LYS  14           1HB      LYS  14  -3.449  -5.574   0.055
   82    HB3  LYS  14           2HB      LYS  14  -2.900  -4.708  -1.374
   83    HG2  LYS  14           1HG      LYS  14  -1.104  -4.776   0.989
   84    HG3  LYS  14           2HG      LYS  14  -1.284  -6.247   0.029
   85    HD2  LYS  14           1HD      LYS  14  -0.865  -4.646  -1.987
   86    HD3  LYS  14           2HD      LYS  14  -0.164  -3.589  -0.760
   87    HE2  LYS  14           1HE      LYS  14   1.216  -5.613  -0.050
   88    HE3  LYS  14           2HE      LYS  14   0.697  -6.356  -1.562
   89    HZ1  LYS  14           3HZ      LYS  14   2.146  -5.145  -2.708
   90    HZ2  LYS  14           1HZ      LYS  14   2.850  -4.715  -1.231
   91    HZ3  LYS  14           2HZ      LYS  14   1.695  -3.705  -1.943
   92    H    CYS  15           H        CYS  15  -1.996  -2.174   2.126
   93    HA   CYS  15           HA       CYS  15  -0.999  -0.001   0.703
   94    HB2  CYS  15           1HB      CYS  15  -1.064  -0.076   3.151
   95    HB3  CYS  15           2HB      CYS  15   0.168  -1.334   3.156
   96    H    ASN  16           H        ASN  16   0.689   0.317  -0.616
   97    HA   ASN  16           HA       ASN  16   2.331  -1.998  -1.303
   98    HB2  ASN  16           1HB      ASN  16   1.811   0.645  -2.657
   99    HB3  ASN  16           2HB      ASN  16   3.084  -0.445  -3.198
  100   HD21  ASN  16          1HD2      ASN  16  -0.311   0.132  -3.022
  101   HD22  ASN  16          2HD2      ASN  16  -0.802  -1.176  -4.038
  102    H    GLU  17           H        GLU  17   2.504   0.836   0.541
  103    HA   GLU  17           HA       GLU  17   5.279   1.414   0.220
  104    HB2  GLU  17           1HB      GLU  17   3.480   2.113   2.546
  105    HB3  GLU  17           2HB      GLU  17   5.010   2.876   2.137
  106    HG2  GLU  17           1HG      GLU  17   3.773   3.347  -0.140
  107    HG3  GLU  17           2HG      GLU  17   2.342   3.174   0.874
  108    H    CYS  18           H        CYS  18   3.416  -0.689   2.303
  109    HA   CYS  18           HA       CYS  18   5.929  -1.791   3.347
  110    HB2  CYS  18           1HB      CYS  18   4.899  -2.065   5.568
  111    HB3  CYS  18           2HB      CYS  18   5.004  -0.370   5.104
  112    H    GLY  19           H        GLY  19   2.445  -2.268   2.887
  113    HA2  GLY  19           1HA      GLY  19   1.989  -4.358   1.538
  114    HA3  GLY  19           2HA      GLY  19   2.947  -5.176   2.764
  115    H    LYS  20           H        LYS  20   1.133  -2.675   4.094
  116    HA   LYS  20           HA       LYS  20  -0.396  -4.344   5.730
  117    HB2  LYS  20           1HB      LYS  20  -0.633  -1.437   4.989
  118    HB3  LYS  20           2HB      LYS  20  -1.790  -2.199   6.072
  119    HG2  LYS  20           1HG      LYS  20   1.093  -2.534   6.680
  120    HG3  LYS  20           2HG      LYS  20   0.364  -0.952   6.962
  121    HD2  LYS  20           1HD      LYS  20  -0.054  -1.915   8.987
  122    HD3  LYS  20           2HD      LYS  20  -1.503  -2.436   8.124
  123    HE2  LYS  20           1HE      LYS  20   0.908  -4.166   7.975
  124    HE3  LYS  20           2HE      LYS  20   0.013  -4.130   9.493
  125    HZ1  LYS  20           3HZ      LYS  20  -1.648  -4.419   7.155
  126    HZ2  LYS  20           1HZ      LYS  20  -1.668  -5.281   8.612
  127    HZ3  LYS  20           2HZ      LYS  20  -0.577  -5.708   7.392
  128    H    THR  21           H        THR  21  -2.860  -4.200   5.847
  129    HA   THR  21           HA       THR  21  -4.144  -4.133   3.227
  130    HB   THR  21           HB       THR  21  -5.254  -6.334   3.650
  131    HG1  THR  21           HG1      THR  21  -4.974  -6.969   5.669
  132   HG21  THR  21          3HG2      THR  21  -3.101  -7.696   3.206
  133   HG22  THR  21          1HG2      THR  21  -2.291  -6.130   3.228
  134   HG23  THR  21          2HG2      THR  21  -3.563  -6.449   2.048
  135    H    PHE  22           H        PHE  22  -6.220  -3.454   3.301
  136    HA   PHE  22           HA       PHE  22  -7.642  -3.473   5.855
  137    HB2  PHE  22           1HB      PHE  22  -7.502  -0.957   4.199
  138    HB3  PHE  22           2HB      PHE  22  -8.141  -1.150   5.828
  139    HD1  PHE  22           HD2      PHE  22  -4.962  -1.540   3.923
  140    HD2  PHE  22           HD1      PHE  22  -6.829  -0.533   7.613
  141    HE1  PHE  22           HE2      PHE  22  -2.775  -0.896   4.849
  142    HE2  PHE  22           HE1      PHE  22  -4.645   0.113   8.545
  143    HZ   PHE  22           HZ       PHE  22  -2.615  -0.069   7.163
  144    H    SER  23           H        SER  23  -9.825  -3.691   5.673
  145    HA   SER  23           HA       SER  23 -10.901  -4.735   3.313
  146    HB2  SER  23           1HB      SER  23 -11.733  -4.924   5.773
  147    HB3  SER  23           2HB      SER  23 -12.637  -3.454   5.407
  148    HG   SER  23           HG       SER  23 -13.223  -4.877   3.418
  149    H    HIS  24           H        HIS  24 -11.347  -1.525   4.782
  150    HA   HIS  24           HA       HIS  24 -12.539  -0.593   2.265
  151    HB2  HIS  24           1HB      HIS  24 -12.776   0.253   5.112
  152    HB3  HIS  24           2HB      HIS  24 -12.939   1.495   3.874
  153    HD1  HIS  24           HD1      HIS  24 -15.261   0.450   5.770
  154    HD2  HIS  24           HD2      HIS  24 -14.640  -0.649   1.812
  155    HE1  HIS  24           HE1      HIS  24 -17.499  -0.333   4.931
  156    H    SER  25           H        SER  25 -11.875   1.455   1.387
  157    HA   SER  25           HA       SER  25  -9.060   1.736   1.264
  158    HB2  SER  25           1HB      SER  25  -9.463   3.538  -0.268
  159    HB3  SER  25           2HB      SER  25 -10.689   2.309  -0.576
  160    HG   SER  25           HG       SER  25 -11.668   4.328  -0.483
  161    H    ALA  26           H        ALA  26 -11.583   3.849   2.627
  162    HA   ALA  26           HA       ALA  26 -10.251   5.972   3.555
  163    HB1  ALA  26           3HB      ALA  26 -12.132   4.395   5.304
  164    HB2  ALA  26           1HB      ALA  26 -11.780   6.120   5.403
  165    HB3  ALA  26           2HB      ALA  26 -12.638   5.473   4.004
  166    H    HIS  27           H        HIS  27 -10.063   2.738   4.957
  167    HA   HIS  27           HA       HIS  27  -8.496   3.453   7.205
  168    HB2  HIS  27           1HB      HIS  27  -8.694   0.787   5.788
  169    HB3  HIS  27           2HB      HIS  27  -8.038   1.047   7.402
  170    HD1  HIS  27           HD1      HIS  27 -10.861  -0.361   6.068
  171    HD2  HIS  27           HD2      HIS  27 -10.344   2.663   8.869
  172    HE1  HIS  27           HE1      HIS  27 -13.010  -0.277   7.370
  173    H    LEU  28           H        LEU  28  -7.643   2.148   4.013
  174    HA   LEU  28           HA       LEU  28  -4.871   1.991   4.449
  175    HB2  LEU  28           1HB      LEU  28  -5.783   0.810   2.618
  176    HB3  LEU  28           2HB      LEU  28  -6.531   2.264   1.959
  177    HG   LEU  28           HG       LEU  28  -4.288   3.130   1.401
  178   HD11  LEU  28          1HD1      LEU  28  -2.348   2.087   1.907
  179   HD12  LEU  28          2HD1      LEU  28  -3.053   0.475   1.786
  180   HD13  LEU  28          3HD1      LEU  28  -3.313   1.443   3.236
  181   HD21  LEU  28          3HD2      LEU  28  -3.804   1.435  -0.396
  182   HD22  LEU  28          1HD2      LEU  28  -5.460   2.039  -0.348
  183   HD23  LEU  28          2HD2      LEU  28  -5.085   0.443   0.302
  184    H    SER  29           H        SER  29  -6.613   4.411   2.484
  185    HA   SER  29           HA       SER  29  -4.640   6.181   1.963
  186    HB2  SER  29           1HB      SER  29  -7.021   6.429   1.261
  187    HB3  SER  29           2HB      SER  29  -7.404   7.004   2.883
  188    HG   SER  29           HG       SER  29  -5.776   8.223   0.921
  189    H    LYS  30           H        LYS  30  -6.381   5.879   5.019
  190    HA   LYS  30           HA       LYS  30  -5.192   8.122   6.279
  191    HB2  LYS  30           1HB      LYS  30  -7.300   6.722   6.934
  192    HB3  LYS  30           2HB      LYS  30  -6.144   5.726   7.809
  193    HG2  LYS  30           1HG      LYS  30  -5.600   7.432   9.285
  194    HG3  LYS  30           2HG      LYS  30  -6.214   8.690   8.210
  195    HD2  LYS  30           1HD      LYS  30  -8.497   7.450   8.574
  196    HD3  LYS  30           2HD      LYS  30  -7.700   6.846  10.028
  197    HE2  LYS  30           1HE      LYS  30  -7.474   8.981  10.935
  198    HE3  LYS  30           2HE      LYS  30  -7.696   9.770   9.375
  199    HZ1  LYS  30           3HZ      LYS  30  -9.610   9.493  11.248
  200    HZ2  LYS  30           1HZ      LYS  30  -9.950   8.189  10.225
  201    HZ3  LYS  30           2HZ      LYS  30  -9.904   9.761   9.604
  202    H    HIS  31           H        HIS  31  -4.469   4.643   6.404
  203    HA   HIS  31           HA       HIS  31  -2.261   4.888   8.159
  204    HB2  HIS  31           1HB      HIS  31  -3.085   2.728   8.097
  205    HB3  HIS  31           2HB      HIS  31  -3.306   2.750   6.350
  206    HD1  HIS  31           HD1      HIS  31  -0.729   2.127   8.990
  207    HD2  HIS  31           HD2      HIS  31  -1.085   1.960   4.854
  208    HE1  HIS  31           HE1      HIS  31   1.321   0.911   8.187
  209    H    GLN  32           H        GLN  32  -2.644   5.701   4.901
  210    HA   GLN  32           HA       GLN  32   0.068   5.226   4.073
  211    HB2  GLN  32           1HB      GLN  32  -2.237   6.723   2.836
  212    HB3  GLN  32           2HB      GLN  32  -0.643   6.666   2.096
  213    HG2  GLN  32           1HG      GLN  32  -0.993   4.063   2.424
  214    HG3  GLN  32           2HG      GLN  32  -2.689   4.542   2.370
  215   HE21  GLN  32          1HE2      GLN  32  -0.304   3.391   0.537
  216   HE22  GLN  32          2HE2      GLN  32  -0.743   4.036  -1.004
  217    H    LEU  33           H        LEU  33  -1.773   7.905   5.377
  218    HA   LEU  33           HA       LEU  33   0.009   9.991   4.807
  219    HB2  LEU  33           1HB      LEU  33  -1.850   9.659   7.157
  220    HB3  LEU  33           2HB      LEU  33  -1.068  11.166   6.687
  221    HG   LEU  33           HG       LEU  33  -2.979   9.683   4.894
  222   HD11  LEU  33          1HD1      LEU  33  -4.525  11.622   5.641
  223   HD12  LEU  33          2HD1      LEU  33  -3.496  11.665   7.071
  224   HD13  LEU  33          3HD1      LEU  33  -4.376  10.193   6.664
  225   HD21  LEU  33          3HD2      LEU  33  -2.760  11.400   3.455
  226   HD22  LEU  33          1HD2      LEU  33  -1.214  11.629   4.273
  227   HD23  LEU  33          2HD2      LEU  33  -2.611  12.599   4.741
  228    H    ILE  34           H        ILE  34   0.249   7.380   7.005
  229    HA   ILE  34           HA       ILE  34   2.030   8.610   8.873
  230    HB   ILE  34           HB       ILE  34   2.170   6.565   9.937
  231   HG12  ILE  34          1HG1      ILE  34   1.828   5.357   7.201
  232   HG13  ILE  34          2HG1      ILE  34   3.181   5.185   8.314
  233   HG21  ILE  34          1HG2      ILE  34  -0.224   7.415   9.520
  234   HG22  ILE  34          2HG2      ILE  34  -0.367   6.032   8.437
  235   HG23  ILE  34          3HG2      ILE  34  -0.011   5.780  10.145
  236   HD11  ILE  34          3HD1      ILE  34   1.805   3.836   9.794
  237   HD12  ILE  34          1HD1      ILE  34   0.431   4.029   8.706
  238   HD13  ILE  34          2HD1      ILE  34   1.862   3.146   8.173
  239    H    HIS  35           H        HIS  35   2.398   6.772   5.905
  240    HA   HIS  35           HA       HIS  35   5.190   6.314   6.141
  241    HB2  HIS  35           1HB      HIS  35   3.244   6.235   3.852
  242    HB3  HIS  35           2HB      HIS  35   4.971   6.034   3.572
  243    HD1  HIS  35           HD1      HIS  35   6.004   4.073   5.353
  244    HD2  HIS  35           HD2      HIS  35   2.030   3.854   4.162
  245    HE1  HIS  35           HE1      HIS  35   5.312   1.689   5.756
  246    H    ALA  36           H        ALA  36   3.260   8.968   4.955
  247    HA   ALA  36           HA       ALA  36   5.628  10.322   3.897
  248    HB1  ALA  36           3HB      ALA  36   4.228  11.193   2.415
  249    HB2  ALA  36           1HB      ALA  36   2.908  10.286   3.155
  250    HB3  ALA  36           2HB      ALA  36   3.271  11.923   3.705
  251    H    GLY  37           H        GLY  37   5.222  12.914   4.302
  252    HA2  GLY  37           1HA      GLY  37   5.550  14.593   5.831
  253    HA3  GLY  37           2HA      GLY  37   4.311  13.790   6.784
  254    H    GLU  38           H        GLU  38   7.649  12.930   5.870
  255    HA   GLU  38           HA       GLU  38   8.153  12.275   8.686
  256    HB2  GLU  38           1HB      GLU  38   9.746  11.529   6.226
  257    HB3  GLU  38           2HB      GLU  38  10.063  10.981   7.866
  258    HG2  GLU  38           1HG      GLU  38   7.780   9.940   7.851
  259    HG3  GLU  38           2HG      GLU  38   7.703  10.314   6.130
  260    H    ASN  39           H        ASN  39   9.850  13.768   5.925
  261    HA   ASN  39           HA       ASN  39  10.737  15.970   7.525
  262    HB2  ASN  39           1HB      ASN  39  12.563  13.682   6.977
  263    HB3  ASN  39           2HB      ASN  39  13.231  15.307   6.843
  264   HD21  ASN  39          1HD2      ASN  39  14.084  13.442   8.723
  265   HD22  ASN  39          2HD2      ASN  39  13.670  14.017  10.299
  266    HA   PRO  40           HA       PRO  40  10.920  17.892   3.583
  267    HB2  PRO  40           1HB      PRO  40  12.742  19.852   4.041
  268    HB3  PRO  40           2HB      PRO  40  11.102  19.891   4.700
  269    HG2  PRO  40           1HG      PRO  40  13.657  19.067   6.025
  270    HG3  PRO  40           2HG      PRO  40  12.334  20.058   6.666
  271    HD2  PRO  40           1HD      PRO  40  12.622  17.438   7.283
  272    HD3  PRO  40           2HD      PRO  40  11.034  18.222   7.167
  273    H    SER  41           H        SER  41  12.039  17.819   1.679
  274    HA   SER  41           HA       SER  41  14.791  16.770   1.790
  275    HB2  SER  41           1HB      SER  41  12.455  15.935   0.112
  276    HB3  SER  41           2HB      SER  41  14.086  15.770  -0.539
  277    HG   SER  41           HG       SER  41  13.273  13.902   0.626
  278    H    GLY  42           H        GLY  42  16.199  17.385   0.064
  279    HA2  GLY  42           1HA      GLY  42  15.485  20.012  -1.049
  280    HA3  GLY  42           2HA      GLY  42  17.120  19.415  -0.806
  281    HA   PRO  43           HA       PRO  43  15.280  18.488  -5.164
  282    HB2  PRO  43           1HB      PRO  43  15.908  20.761  -6.509
  283    HB3  PRO  43           2HB      PRO  43  14.349  20.515  -5.713
  284    HG2  PRO  43           1HG      PRO  43  16.749  22.025  -4.753
  285    HG3  PRO  43           2HG      PRO  43  15.036  22.474  -4.664
  286    HD2  PRO  43           1HD      PRO  43  16.384  21.447  -2.552
  287    HD3  PRO  43           2HD      PRO  43  14.654  21.147  -2.818
  288    H    SER  44           H        SER  44  16.598  17.659  -6.735
  289    HA   SER  44           HA       SER  44  19.319  17.301  -6.191
  290    HB2  SER  44           1HB      SER  44  19.435  16.381  -8.522
  291    HB3  SER  44           2HB      SER  44  18.134  15.696  -7.549
  292    HG   SER  44           HG       SER  44  16.721  17.213  -8.587
  293    H    SER  45           H        SER  45  21.141  17.900  -7.624
  294    HA   SER  45           HA       SER  45  21.726  20.526  -7.678
  295    HB2  SER  45           1HB      SER  45  23.159  18.471  -8.393
  296    HB3  SER  45           2HB      SER  45  22.603  18.861 -10.020
  297    HG   SER  45           HG       SER  45  23.925  20.659  -8.264
  298    H    GLY  46           H        GLY  46  20.410  22.108  -8.353
  299    HA2  GLY  46           1HA      GLY  46  20.118  23.220 -10.679
  300    HA3  GLY  46           2HA      GLY  46  19.083  21.828 -10.961
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1  16.414 -17.403   5.712
    2    HA2  GLY   1           1HA      GLY   1  17.896 -18.788   3.665
    3    HA3  GLY   1           2HA      GLY   1  16.675 -19.790   4.435
    4    H    SER   2           H        SER   2  15.548 -19.968   2.458
    5    HA   SER   2           HA       SER   2  13.865 -17.636   1.897
    6    HB2  SER   2           1HB      SER   2  15.762 -17.773   0.224
    7    HB3  SER   2           2HB      SER   2  15.072 -19.302  -0.318
    8    HG   SER   2           HG       SER   2  14.192 -16.714  -0.724
    9    H    SER   3           H        SER   3  11.832 -18.142   0.941
   10    HA   SER   3           HA       SER   3  11.101 -20.978   0.879
   11    HB2  SER   3           1HB      SER   3   9.155 -20.645   2.264
   12    HB3  SER   3           2HB      SER   3  10.558 -20.041   3.144
   13    HG   SER   3           HG       SER   3   8.365 -18.735   2.615
   14    H    GLY   4           H        GLY   4   8.627 -21.070   0.187
   15    HA2  GLY   4           1HA      GLY   4   8.400 -19.287  -2.157
   16    HA3  GLY   4           2HA      GLY   4   7.818 -20.945  -2.113
   17    H    SER   5           H        SER   5   6.402 -18.438  -2.739
   18    HA   SER   5           HA       SER   5   4.547 -18.142  -0.511
   19    HB2  SER   5           1HB      SER   5   5.487 -16.245  -2.072
   20    HB3  SER   5           2HB      SER   5   4.186 -16.760  -3.145
   21    HG   SER   5           HG       SER   5   2.967 -16.574  -0.939
   22    H    SER   6           H        SER   6   2.281 -18.443  -0.733
   23    HA   SER   6           HA       SER   6   1.616 -20.600  -2.597
   24    HB2  SER   6           1HB      SER   6   1.206 -20.699  -0.040
   25    HB3  SER   6           2HB      SER   6  -0.165 -19.640  -0.369
   26    HG   SER   6           HG       SER   6   0.049 -21.857  -2.006
   27    H    GLY   7           H        GLY   7  -0.054 -17.736  -1.263
   28    HA2  GLY   7           1HA      GLY   7  -0.797 -16.030  -2.894
   29    HA3  GLY   7           2HA      GLY   7  -1.278 -17.367  -3.928
   30    H    THR   8           H        THR   8  -1.890 -15.993  -0.706
   31    HA   THR   8           HA       THR   8  -4.578 -17.144  -0.743
   32    HB   THR   8           HB       THR   8  -3.204 -17.381   1.313
   33    HG1  THR   8           HG1      THR   8  -5.686 -16.921   1.152
   34   HG21  THR   8          3HG2      THR   8  -3.439 -14.376   1.346
   35   HG22  THR   8          1HG2      THR   8  -1.965 -15.343   1.350
   36   HG23  THR   8          2HG2      THR   8  -3.017 -15.332   2.766
   37    H    LYS   9           H        LYS   9  -6.446 -15.918  -0.614
   38    HA   LYS   9           HA       LYS   9  -6.425 -13.421  -1.927
   39    HB2  LYS   9           1HB      LYS   9  -8.523 -14.991  -0.461
   40    HB3  LYS   9           2HB      LYS   9  -8.868 -13.365  -1.034
   41    HG2  LYS   9           1HG      LYS   9  -9.654 -14.870  -2.682
   42    HG3  LYS   9           2HG      LYS   9  -8.186 -14.127  -3.322
   43    HD2  LYS   9           1HD      LYS   9  -8.052 -16.445  -3.819
   44    HD3  LYS   9           2HD      LYS   9  -6.933 -16.146  -2.487
   45    HE2  LYS   9           1HE      LYS   9  -8.590 -16.971  -0.899
   46    HE3  LYS   9           2HE      LYS   9  -9.734 -17.235  -2.215
   47    HZ1  LYS   9           3HZ      LYS   9  -8.079 -18.798  -3.179
   48    HZ2  LYS   9           1HZ      LYS   9  -8.718 -19.303  -1.696
   49    HZ3  LYS   9           2HZ      LYS   9  -7.162 -18.643  -1.767
   50    H    GLU  10           H        GLU  10  -6.728 -11.340  -1.183
   51    HA   GLU  10           HA       GLU  10  -6.782 -10.919   1.717
   52    HB2  GLU  10           1HB      GLU  10  -4.704  -9.898  -0.201
   53    HB3  GLU  10           2HB      GLU  10  -5.062  -9.038   1.290
   54    HG2  GLU  10           1HG      GLU  10  -4.174 -10.676   2.616
   55    HG3  GLU  10           2HG      GLU  10  -4.462 -11.947   1.428
   56    H    HIS  11           H        HIS  11  -7.200  -8.596   2.265
   57    HA   HIS  11           HA       HIS  11  -9.554  -7.679   1.219
   58    HB2  HIS  11           1HB      HIS  11  -7.315  -6.246   2.622
   59    HB3  HIS  11           2HB      HIS  11  -8.752  -5.374   2.095
   60    HD1  HIS  11           HD1      HIS  11 -11.073  -6.799   2.966
   61    HD2  HIS  11           HD2      HIS  11  -7.569  -7.014   5.188
   62    HE1  HIS  11           HE1      HIS  11 -11.782  -7.507   5.273
   63    HA   PRO  12           HA       PRO  12  -8.804  -5.795  -2.671
   64    HB2  PRO  12           1HB      PRO  12 -10.535  -3.704  -2.612
   65    HB3  PRO  12           2HB      PRO  12 -11.061  -5.383  -2.782
   66    HG2  PRO  12           1HG      PRO  12 -10.999  -3.655  -0.338
   67    HG3  PRO  12           2HG      PRO  12 -12.264  -4.771  -0.888
   68    HD2  PRO  12           1HD      PRO  12 -10.487  -5.424   1.048
   69    HD3  PRO  12           2HD      PRO  12 -11.159  -6.623  -0.075
   70    H    PHE  13           H        PHE  13  -8.133  -4.145   0.233
   71    HA   PHE  13           HA       PHE  13  -6.616  -2.097  -1.246
   72    HB2  PHE  13           1HB      PHE  13  -7.823  -1.807   1.513
   73    HB3  PHE  13           2HB      PHE  13  -6.953  -0.566   0.617
   74    HD1  PHE  13           HD2      PHE  13  -7.960   0.342  -1.491
   75    HD2  PHE  13           HD1      PHE  13 -10.120  -2.157   1.194
   76    HE1  PHE  13           HE2      PHE  13 -10.075   1.102  -2.491
   77    HE2  PHE  13           HE1      PHE  13 -12.239  -1.401   0.197
   78    HZ   PHE  13           HZ       PHE  13 -12.219   0.231  -1.646
   79    H    LYS  14           H        LYS  14  -4.550  -2.698  -1.214
   80    HA   LYS  14           HA       LYS  14  -3.393  -3.533   1.363
   81    HB2  LYS  14           1HB      LYS  14  -3.416  -5.521   0.088
   82    HB3  LYS  14           2HB      LYS  14  -2.940  -4.682  -1.383
   83    HG2  LYS  14           1HG      LYS  14  -1.062  -4.642   0.916
   84    HG3  LYS  14           2HG      LYS  14  -1.237  -6.141   0.001
   85    HD2  LYS  14           1HD      LYS  14  -0.901  -4.643  -2.076
   86    HD3  LYS  14           2HD      LYS  14  -0.266  -3.461  -0.930
   87    HE2  LYS  14           1HE      LYS  14   1.199  -5.444  -0.106
   88    HE3  LYS  14           2HE      LYS  14   0.809  -6.153  -1.672
   89    HZ1  LYS  14           3HZ      LYS  14   1.549  -3.710  -2.411
   90    HZ2  LYS  14           1HZ      LYS  14   2.626  -5.011  -2.299
   91    HZ3  LYS  14           2HZ      LYS  14   2.517  -3.893  -1.035
   92    H    CYS  15           H        CYS  15  -1.865  -2.199   2.052
   93    HA   CYS  15           HA       CYS  15  -0.946   0.003   0.561
   94    HB2  CYS  15           1HB      CYS  15  -1.027  -0.059   3.034
   95    HB3  CYS  15           2HB      CYS  15   0.289  -1.229   3.033
   96    H    ASN  16           H        ASN  16   0.806   0.331  -0.691
   97    HA   ASN  16           HA       ASN  16   2.416  -2.013  -1.364
   98    HB2  ASN  16           1HB      ASN  16   1.789   0.575  -2.730
   99    HB3  ASN  16           2HB      ASN  16   3.253  -0.294  -3.177
  100   HD21  ASN  16          1HD2      ASN  16  -0.231  -0.410  -3.074
  101   HD22  ASN  16          2HD2      ASN  16  -0.417  -1.690  -4.221
  102    H    GLU  17           H        GLU  17   2.602   0.768   0.534
  103    HA   GLU  17           HA       GLU  17   5.398   1.303   0.251
  104    HB2  GLU  17           1HB      GLU  17   3.576   2.058   2.540
  105    HB3  GLU  17           2HB      GLU  17   5.123   2.791   2.139
  106    HG2  GLU  17           1HG      GLU  17   4.060   3.419  -0.088
  107    HG3  GLU  17           2HG      GLU  17   2.523   2.997   0.664
  108    H    CYS  18           H        CYS  18   3.413  -0.503   2.557
  109    HA   CYS  18           HA       CYS  18   5.888  -1.673   3.650
  110    HB2  CYS  18           1HB      CYS  18   4.674  -2.004   5.769
  111    HB3  CYS  18           2HB      CYS  18   4.758  -0.302   5.326
  112    H    GLY  19           H        GLY  19   2.468  -2.280   2.916
  113    HA2  GLY  19           1HA      GLY  19   2.080  -4.318   1.542
  114    HA3  GLY  19           2HA      GLY  19   3.143  -5.147   2.670
  115    H    LYS  20           H        LYS  20   0.952  -2.789   3.916
  116    HA   LYS  20           HA       LYS  20  -0.384  -4.804   5.484
  117    HB2  LYS  20           1HB      LYS  20  -0.322  -1.831   5.409
  118    HB3  LYS  20           2HB      LYS  20  -1.745  -2.589   6.109
  119    HG2  LYS  20           1HG      LYS  20  -0.042  -3.946   7.503
  120    HG3  LYS  20           2HG      LYS  20   1.092  -2.675   7.042
  121    HD2  LYS  20           1HD      LYS  20  -0.212  -1.003   8.097
  122    HD3  LYS  20           2HD      LYS  20  -1.587  -2.094   8.286
  123    HE2  LYS  20           1HE      LYS  20  -0.645  -2.023  10.415
  124    HE3  LYS  20           2HE      LYS  20   0.001  -3.511   9.725
  125    HZ1  LYS  20           3HZ      LYS  20   1.567  -1.078   9.350
  126    HZ2  LYS  20           1HZ      LYS  20   2.084  -2.667   9.615
  127    HZ3  LYS  20           2HZ      LYS  20   1.528  -1.731  10.910
  128    H    THR  21           H        THR  21  -2.861  -4.524   5.736
  129    HA   THR  21           HA       THR  21  -4.170  -4.031   3.166
  130    HB   THR  21           HB       THR  21  -5.407  -6.143   3.265
  131    HG1  THR  21           HG1      THR  21  -3.638  -7.126   5.221
  132   HG21  THR  21          3HG2      THR  21  -3.107  -7.616   3.205
  133   HG22  THR  21          1HG2      THR  21  -2.499  -5.984   2.927
  134   HG23  THR  21          2HG2      THR  21  -3.729  -6.661   1.859
  135    H    PHE  22           H        PHE  22  -6.295  -3.391   3.315
  136    HA   PHE  22           HA       PHE  22  -7.552  -3.373   5.959
  137    HB2  PHE  22           1HB      PHE  22  -7.511  -0.898   4.236
  138    HB3  PHE  22           2HB      PHE  22  -8.048  -1.048   5.906
  139    HD1  PHE  22           HD2      PHE  22  -5.020  -1.363   3.771
  140    HD2  PHE  22           HD1      PHE  22  -6.599  -0.538   7.636
  141    HE1  PHE  22           HE2      PHE  22  -2.778  -0.710   4.544
  142    HE2  PHE  22           HE1      PHE  22  -4.359   0.117   8.416
  143    HZ   PHE  22           HZ       PHE  22  -2.444   0.030   6.869
  144    H    SER  23           H        SER  23  -9.759  -3.523   5.938
  145    HA   SER  23           HA       SER  23 -11.010  -4.672   3.727
  146    HB2  SER  23           1HB      SER  23 -13.143  -4.231   4.977
  147    HB3  SER  23           2HB      SER  23 -11.898  -5.027   5.941
  148    HG   SER  23           HG       SER  23 -12.432  -3.436   7.255
  149    H    HIS  24           H        HIS  24 -11.428  -1.380   5.033
  150    HA   HIS  24           HA       HIS  24 -12.666  -0.581   2.499
  151    HB2  HIS  24           1HB      HIS  24 -12.756   0.466   5.291
  152    HB3  HIS  24           2HB      HIS  24 -12.991   1.607   3.970
  153    HD1  HIS  24           HD1      HIS  24 -15.086   0.283   6.182
  154    HD2  HIS  24           HD2      HIS  24 -14.912  -0.255   2.066
  155    HE1  HIS  24           HE1      HIS  24 -17.393  -0.451   5.502
  156    H    SER  25           H        SER  25 -12.055   1.510   1.567
  157    HA   SER  25           HA       SER  25  -9.239   1.701   1.243
  158    HB2  SER  25           1HB      SER  25  -9.698   3.454  -0.326
  159    HB3  SER  25           2HB      SER  25 -10.972   2.250  -0.512
  160    HG   SER  25           HG       SER  25 -12.376   3.569   0.564
  161    H    ALA  26           H        ALA  26 -11.644   3.820   2.779
  162    HA   ALA  26           HA       ALA  26 -10.201   5.972   3.528
  163    HB1  ALA  26           3HB      ALA  26 -12.090   6.372   4.617
  164    HB2  ALA  26           1HB      ALA  26 -12.550   4.674   4.485
  165    HB3  ALA  26           2HB      ALA  26 -11.602   5.227   5.866
  166    H    HIS  27           H        HIS  27 -10.084   2.793   5.078
  167    HA   HIS  27           HA       HIS  27  -8.385   3.505   7.209
  168    HB2  HIS  27           1HB      HIS  27  -8.752   0.833   5.839
  169    HB3  HIS  27           2HB      HIS  27  -7.925   1.072   7.375
  170    HD1  HIS  27           HD1      HIS  27 -11.024  -0.039   6.187
  171    HD2  HIS  27           HD2      HIS  27  -9.903   2.565   9.223
  172    HE1  HIS  27           HE1      HIS  27 -12.997   0.068   7.743
  173    H    LEU  28           H        LEU  28  -7.684   2.135   4.007
  174    HA   LEU  28           HA       LEU  28  -4.901   1.931   4.333
  175    HB2  LEU  28           1HB      LEU  28  -5.881   0.743   2.554
  176    HB3  LEU  28           2HB      LEU  28  -6.669   2.186   1.920
  177    HG   LEU  28           HG       LEU  28  -4.476   3.055   1.221
  178   HD11  LEU  28          1HD1      LEU  28  -3.354   0.363   1.949
  179   HD12  LEU  28          2HD1      LEU  28  -3.209   1.778   2.991
  180   HD13  LEU  28          3HD1      LEU  28  -2.488   1.791   1.382
  181   HD21  LEU  28          3HD2      LEU  28  -4.181   1.602  -0.661
  182   HD22  LEU  28          1HD2      LEU  28  -5.902   1.674  -0.283
  183   HD23  LEU  28          2HD2      LEU  28  -4.954   0.263   0.188
  184    H    SER  29           H        SER  29  -6.752   4.407   2.548
  185    HA   SER  29           HA       SER  29  -4.718   6.123   1.903
  186    HB2  SER  29           1HB      SER  29  -6.366   7.872   1.731
  187    HB3  SER  29           2HB      SER  29  -7.131   6.359   1.244
  188    HG   SER  29           HG       SER  29  -7.818   8.031   3.225
  189    H    LYS  30           H        LYS  30  -6.473   5.928   4.967
  190    HA   LYS  30           HA       LYS  30  -5.206   8.158   6.177
  191    HB2  LYS  30           1HB      LYS  30  -7.364   6.772   6.838
  192    HB3  LYS  30           2HB      LYS  30  -6.213   5.880   7.824
  193    HG2  LYS  30           1HG      LYS  30  -5.615   7.856   9.030
  194    HG3  LYS  30           2HG      LYS  30  -6.570   8.866   7.942
  195    HD2  LYS  30           1HD      LYS  30  -8.045   8.656   9.678
  196    HD3  LYS  30           2HD      LYS  30  -8.513   7.253   8.715
  197    HE2  LYS  30           1HE      LYS  30  -7.284   5.778  10.116
  198    HE3  LYS  30           2HE      LYS  30  -6.493   7.119  10.943
  199    HZ1  LYS  30           3HZ      LYS  30  -8.180   7.294  12.355
  200    HZ2  LYS  30           1HZ      LYS  30  -8.769   5.829  11.746
  201    HZ3  LYS  30           2HZ      LYS  30  -9.333   7.295  11.118
  202    H    HIS  31           H        HIS  31  -4.558   4.677   6.240
  203    HA   HIS  31           HA       HIS  31  -2.401   4.826   8.078
  204    HB2  HIS  31           1HB      HIS  31  -3.248   2.684   7.948
  205    HB3  HIS  31           2HB      HIS  31  -3.461   2.759   6.201
  206    HD1  HIS  31           HD1      HIS  31  -0.919   1.992   8.834
  207    HD2  HIS  31           HD2      HIS  31  -1.240   1.981   4.692
  208    HE1  HIS  31           HE1      HIS  31   1.112   0.761   8.006
  209    H    GLN  32           H        GLN  32  -2.683   5.728   4.833
  210    HA   GLN  32           HA       GLN  32   0.042   5.219   4.065
  211    HB2  GLN  32           1HB      GLN  32  -2.208   6.775   2.802
  212    HB3  GLN  32           2HB      GLN  32  -0.594   6.724   2.106
  213    HG2  GLN  32           1HG      GLN  32  -0.961   4.121   2.339
  214    HG3  GLN  32           2HG      GLN  32  -2.656   4.600   2.282
  215   HE21  GLN  32          1HE2      GLN  32  -0.118   3.636   0.457
  216   HE22  GLN  32          2HE2      GLN  32  -0.593   4.279  -1.075
  217    H    LEU  33           H        LEU  33  -1.797   7.922   5.339
  218    HA   LEU  33           HA       LEU  33   0.014   9.990   4.872
  219    HB2  LEU  33           1HB      LEU  33  -1.883   9.587   7.178
  220    HB3  LEU  33           2HB      LEU  33  -1.050  11.098   6.820
  221    HG   LEU  33           HG       LEU  33  -2.955   9.778   4.897
  222   HD11  LEU  33          1HD1      LEU  33  -4.495  10.259   6.481
  223   HD12  LEU  33          2HD1      LEU  33  -4.345  11.878   5.798
  224   HD13  LEU  33          3HD1      LEU  33  -3.472  11.458   7.272
  225   HD21  LEU  33          3HD2      LEU  33  -1.717  11.284   3.671
  226   HD22  LEU  33          1HD2      LEU  33  -1.499  12.381   5.034
  227   HD23  LEU  33          2HD2      LEU  33  -3.057  12.295   4.213
  228    H    ILE  34           H        ILE  34   0.206   7.324   7.019
  229    HA   ILE  34           HA       ILE  34   2.001   8.483   8.916
  230    HB   ILE  34           HB       ILE  34   2.116   6.410   9.927
  231   HG12  ILE  34          1HG1      ILE  34   1.734   5.263   7.166
  232   HG13  ILE  34          2HG1      ILE  34   3.114   5.077   8.243
  233   HG21  ILE  34          1HG2      ILE  34  -0.076   5.632  10.101
  234   HG22  ILE  34          2HG2      ILE  34  -0.262   7.296   9.549
  235   HG23  ILE  34          3HG2      ILE  34  -0.428   5.964   8.405
  236   HD11  ILE  34          3HD1      ILE  34   1.480   3.857   9.794
  237   HD12  ILE  34          1HD1      ILE  34   0.435   3.758   8.377
  238   HD13  ILE  34          2HD1      ILE  34   2.039   3.026   8.343
  239    H    HIS  35           H        HIS  35   2.347   6.882   5.840
  240    HA   HIS  35           HA       HIS  35   5.159   6.378   6.106
  241    HB2  HIS  35           1HB      HIS  35   3.218   6.253   3.810
  242    HB3  HIS  35           2HB      HIS  35   4.948   6.037   3.558
  243    HD1  HIS  35           HD1      HIS  35   5.988   4.062   5.237
  244    HD2  HIS  35           HD2      HIS  35   1.943   3.927   4.298
  245    HE1  HIS  35           HE1      HIS  35   5.266   1.700   5.712
  246    H    ALA  36           H        ALA  36   3.161   8.960   4.856
  247    HA   ALA  36           HA       ALA  36   5.325  10.325   3.542
  248    HB1  ALA  36           3HB      ALA  36   2.591  10.442   3.353
  249    HB2  ALA  36           1HB      ALA  36   2.987  11.942   4.192
  250    HB3  ALA  36           2HB      ALA  36   3.722  11.586   2.629
  251    H    GLY  37           H        GLY  37   6.309   9.867   5.966
  252    HA2  GLY  37           1HA      GLY  37   7.259  10.863   7.803
  253    HA3  GLY  37           2HA      GLY  37   7.062  12.372   6.925
  254    H    GLU  38           H        GLU  38   6.306  13.758   8.409
  255    HA   GLU  38           HA       GLU  38   5.060  14.603  10.140
  256    HB2  GLU  38           1HB      GLU  38   2.689  14.645   9.682
  257    HB3  GLU  38           2HB      GLU  38   3.569  14.799   8.168
  258    HG2  GLU  38           1HG      GLU  38   2.979  12.686   7.453
  259    HG3  GLU  38           2HG      GLU  38   2.646  12.115   9.087
  260    H    ASN  39           H        ASN  39   6.123  11.884  10.563
  261    HA   ASN  39           HA       ASN  39   4.303  11.116  12.729
  262    HB2  ASN  39           1HB      ASN  39   4.657   8.726  12.220
  263    HB3  ASN  39           2HB      ASN  39   3.844   9.564  10.901
  264   HD21  ASN  39          1HD2      ASN  39   5.273   7.108  10.737
  265   HD22  ASN  39          2HD2      ASN  39   6.597   7.353   9.654
  266    HA   PRO  40           HA       PRO  40   7.988  11.105  15.135
  267    HB2  PRO  40           1HB      PRO  40   7.163   9.527  17.185
  268    HB3  PRO  40           2HB      PRO  40   6.611  11.192  16.972
  269    HG2  PRO  40           1HG      PRO  40   5.244   8.633  16.232
  270    HG3  PRO  40           2HG      PRO  40   4.565  10.085  16.991
  271    HD2  PRO  40           1HD      PRO  40   4.277   9.551  14.352
  272    HD3  PRO  40           2HD      PRO  40   4.391  11.206  14.985
  273    H    SER  41           H        SER  41   6.866   8.466  13.437
  274    HA   SER  41           HA       SER  41   8.603   6.454  14.529
  275    HB2  SER  41           1HB      SER  41   6.971   6.563  11.985
  276    HB3  SER  41           2HB      SER  41   7.911   5.157  12.486
  277    HG   SER  41           HG       SER  41   6.152   6.241  14.351
  278    H    GLY  42           H        GLY  42  10.121   5.273  12.957
  279    HA2  GLY  42           1HA      GLY  42  11.531   7.158  11.197
  280    HA3  GLY  42           2HA      GLY  42  12.426   6.380  12.494
  281    HA   PRO  43           HA       PRO  43  12.930   3.732   8.761
  282    HB2  PRO  43           1HB      PRO  43  15.541   3.168   9.248
  283    HB3  PRO  43           2HB      PRO  43  15.016   4.619   8.385
  284    HG2  PRO  43           1HG      PRO  43  15.811   4.305  11.254
  285    HG3  PRO  43           2HG      PRO  43  16.235   5.592  10.110
  286    HD2  PRO  43           1HD      PRO  43  14.292   5.882  11.973
  287    HD3  PRO  43           2HD      PRO  43  14.219   6.676  10.387
  288    H    SER  44           H        SER  44  12.134   1.748   9.004
  289    HA   SER  44           HA       SER  44  12.953   0.174  11.356
  290    HB2  SER  44           1HB      SER  44  10.577   0.578  11.395
  291    HB3  SER  44           2HB      SER  44  10.413   0.069   9.715
  292    HG   SER  44           HG       SER  44  11.299  -1.609  11.826
  293    H    SER  45           H        SER  45  11.816  -0.356   8.014
  294    HA   SER  45           HA       SER  45  13.766  -2.558   7.811
  295    HB2  SER  45           1HB      SER  45  11.159  -2.974   7.681
  296    HB3  SER  45           2HB      SER  45  11.373  -2.426   6.019
  297    HG   SER  45           HG       SER  45  12.867  -4.085   5.709
  298    H    GLY  46           H        GLY  46  15.036  -2.708   5.988
  299    HA2  GLY  46           1HA      GLY  46  14.652  -0.821   3.805
  300    HA3  GLY  46           2HA      GLY  46  16.104  -0.589   4.768
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1   4.247 -29.008  -7.417
    2    HA2  GLY   1           1HA      GLY   1   1.656 -30.380  -7.734
    3    HA3  GLY   1           2HA      GLY   1   2.251 -29.965  -6.133
    4    H    SER   2           H        SER   2   0.351 -28.962  -8.684
    5    HA   SER   2           HA       SER   2   0.713 -26.136  -8.470
    6    HB2  SER   2           1HB      SER   2  -1.537 -27.783  -9.645
    7    HB3  SER   2           2HB      SER   2  -1.420 -26.029  -9.777
    8    HG   SER   2           HG       SER   2  -0.251 -27.885 -11.287
    9    H    SER   3           H        SER   3  -1.381 -24.787  -8.011
   10    HA   SER   3           HA       SER   3  -2.256 -25.551  -5.317
   11    HB2  SER   3           1HB      SER   3  -2.821 -23.162  -5.037
   12    HB3  SER   3           2HB      SER   3  -1.132 -23.382  -5.492
   13    HG   SER   3           HG       SER   3  -3.082 -22.034  -6.778
   14    H    GLY   4           H        GLY   4  -4.511 -24.465  -4.797
   15    HA2  GLY   4           1HA      GLY   4  -6.360 -24.977  -7.033
   16    HA3  GLY   4           2HA      GLY   4  -6.607 -25.782  -5.490
   17    H    SER   5           H        SER   5  -8.096 -23.664  -7.149
   18    HA   SER   5           HA       SER   5  -8.143 -21.358  -5.430
   19    HB2  SER   5           1HB      SER   5  -8.590 -21.221  -7.878
   20    HB3  SER   5           2HB      SER   5 -10.080 -22.130  -7.625
   21    HG   SER   5           HG       SER   5  -9.661 -19.840  -6.082
   22    H    SER   6           H        SER   6  -8.762 -21.983  -3.392
   23    HA   SER   6           HA       SER   6 -11.476 -23.107  -3.145
   24    HB2  SER   6           1HB      SER   6  -9.369 -24.404  -2.259
   25    HB3  SER   6           2HB      SER   6  -9.482 -23.270  -0.914
   26    HG   SER   6           HG       SER   6 -11.590 -23.999  -0.543
   27    H    GLY   7           H        GLY   7 -11.136 -20.378  -3.522
   28    HA2  GLY   7           1HA      GLY   7 -12.026 -18.444  -2.635
   29    HA3  GLY   7           2HA      GLY   7 -12.465 -19.361  -1.202
   30    H    THR   8           H        THR   8 -10.768 -16.784  -2.149
   31    HA   THR   8           HA       THR   8  -8.751 -17.129  -0.026
   32    HB   THR   8           HB       THR   8  -7.589 -17.014  -2.130
   33    HG1  THR   8           HG1      THR   8  -6.500 -15.855  -0.597
   34   HG21  THR   8          3HG2      THR   8  -9.577 -15.795  -3.251
   35   HG22  THR   8          1HG2      THR   8  -7.942 -15.428  -3.801
   36   HG23  THR   8          2HG2      THR   8  -8.774 -14.321  -2.709
   37    H    LYS   9           H        LYS   9  -9.063 -15.848   1.661
   38    HA   LYS   9           HA       LYS   9 -10.890 -13.605   1.478
   39    HB2  LYS   9           1HB      LYS   9  -9.559 -15.095   3.701
   40    HB3  LYS   9           2HB      LYS   9 -10.165 -13.474   4.013
   41    HG2  LYS   9           1HG      LYS   9 -12.393 -14.125   3.432
   42    HG3  LYS   9           2HG      LYS   9 -11.837 -15.709   2.887
   43    HD2  LYS   9           1HD      LYS   9 -11.193 -16.302   5.138
   44    HD3  LYS   9           2HD      LYS   9 -11.593 -14.683   5.714
   45    HE2  LYS   9           1HE      LYS   9 -13.387 -16.170   6.291
   46    HE3  LYS   9           2HE      LYS   9 -13.945 -15.079   5.024
   47    HZ1  LYS   9           3HZ      LYS   9 -14.687 -17.185   4.390
   48    HZ2  LYS   9           1HZ      LYS   9 -13.226 -17.938   4.792
   49    HZ3  LYS   9           2HZ      LYS   9 -13.313 -16.932   3.435
   50    H    GLU  10           H        GLU  10  -9.651 -12.199   0.146
   51    HA   GLU  10           HA       GLU  10  -7.388 -10.933   1.547
   52    HB2  GLU  10           1HB      GLU  10  -7.835 -11.476  -1.373
   53    HB3  GLU  10           2HB      GLU  10  -6.771 -10.175  -0.857
   54    HG2  GLU  10           1HG      GLU  10  -5.615 -11.977   0.570
   55    HG3  GLU  10           2HG      GLU  10  -6.462 -13.123  -0.467
   56    H    HIS  11           H        HIS  11  -7.245  -8.679   1.513
   57    HA   HIS  11           HA       HIS  11  -9.799  -7.335   1.247
   58    HB2  HIS  11           1HB      HIS  11  -7.111  -6.345   2.220
   59    HB3  HIS  11           2HB      HIS  11  -8.596  -5.399   2.244
   60    HD1  HIS  11           HD1      HIS  11  -8.185  -5.293   4.876
   61    HD2  HIS  11           HD2      HIS  11  -9.106  -9.041   3.339
   62    HE1  HIS  11           HE1      HIS  11  -8.851  -6.689   6.860
   63    HA   PRO  12           HA       PRO  12  -9.057  -5.603  -2.729
   64    HB2  PRO  12           1HB      PRO  12 -10.686  -3.437  -2.570
   65    HB3  PRO  12           2HB      PRO  12 -11.295  -5.086  -2.756
   66    HG2  PRO  12           1HG      PRO  12 -11.074  -3.416  -0.281
   67    HG3  PRO  12           2HG      PRO  12 -12.405  -4.460  -0.811
   68    HD2  PRO  12           1HD      PRO  12 -10.598  -5.235   1.051
   69    HD3  PRO  12           2HD      PRO  12 -11.362  -6.378  -0.073
   70    H    PHE  13           H        PHE  13  -8.161  -4.095   0.173
   71    HA   PHE  13           HA       PHE  13  -6.598  -2.089  -1.313
   72    HB2  PHE  13           1HB      PHE  13  -7.684  -1.727   1.484
   73    HB3  PHE  13           2HB      PHE  13  -6.853  -0.525   0.503
   74    HD1  PHE  13           HD2      PHE  13  -7.980   0.242  -1.644
   75    HD2  PHE  13           HD1      PHE  13  -9.999  -1.938   1.404
   76    HE1  PHE  13           HE2      PHE  13 -10.142   1.015  -2.528
   77    HE2  PHE  13           HE1      PHE  13 -12.165  -1.169   0.524
   78    HZ   PHE  13           HZ       PHE  13 -12.238   0.311  -1.444
   79    H    LYS  14           H        LYS  14  -4.501  -2.488  -1.195
   80    HA   LYS  14           HA       LYS  14  -3.388  -3.531   1.315
   81    HB2  LYS  14           1HB      LYS  14  -3.487  -5.470  -0.054
   82    HB3  LYS  14           2HB      LYS  14  -2.916  -4.592  -1.467
   83    HG2  LYS  14           1HG      LYS  14  -1.133  -4.729   0.902
   84    HG3  LYS  14           2HG      LYS  14  -1.335  -6.182  -0.080
   85    HD2  LYS  14           1HD      LYS  14  -0.851  -4.622  -2.079
   86    HD3  LYS  14           2HD      LYS  14  -0.216  -3.512  -0.863
   87    HE2  LYS  14           1HE      LYS  14   1.298  -5.302  -0.078
   88    HE3  LYS  14           2HE      LYS  14   0.703  -6.341  -1.372
   89    HZ1  LYS  14           3HZ      LYS  14   2.206  -5.443  -2.703
   90    HZ2  LYS  14           1HZ      LYS  14   2.726  -4.394  -1.482
   91    HZ3  LYS  14           2HZ      LYS  14   1.478  -3.926  -2.524
   92    H    CYS  15           H        CYS  15  -1.921  -2.156   2.050
   93    HA   CYS  15           HA       CYS  15  -0.916   0.024   0.611
   94    HB2  CYS  15           1HB      CYS  15  -1.022  -0.058   3.073
   95    HB3  CYS  15           2HB      CYS  15   0.244  -1.282   3.082
   96    H    ASN  16           H        ASN  16   0.886   0.361  -0.578
   97    HA   ASN  16           HA       ASN  16   2.463  -2.003  -1.275
   98    HB2  ASN  16           1HB      ASN  16   1.969   0.640  -2.622
   99    HB3  ASN  16           2HB      ASN  16   3.319  -0.381  -3.109
  100   HD21  ASN  16          1HD2      ASN  16   0.482   0.463  -4.137
  101   HD22  ASN  16          2HD2      ASN  16  -0.119  -1.016  -4.797
  102    H    GLU  17           H        GLU  17   2.655   0.797   0.611
  103    HA   GLU  17           HA       GLU  17   5.460   1.294   0.367
  104    HB2  GLU  17           1HB      GLU  17   3.585   2.076   2.606
  105    HB3  GLU  17           2HB      GLU  17   5.172   2.763   2.288
  106    HG2  GLU  17           1HG      GLU  17   4.075   3.277  -0.063
  107    HG3  GLU  17           2HG      GLU  17   2.595   3.205   0.893
  108    H    CYS  18           H        CYS  18   3.430  -0.491   2.650
  109    HA   CYS  18           HA       CYS  18   5.881  -1.669   3.788
  110    HB2  CYS  18           1HB      CYS  18   4.627  -2.007   5.876
  111    HB3  CYS  18           2HB      CYS  18   4.694  -0.304   5.436
  112    H    GLY  19           H        GLY  19   2.479  -2.285   2.977
  113    HA2  GLY  19           1HA      GLY  19   2.126  -4.315   1.583
  114    HA3  GLY  19           2HA      GLY  19   3.172  -5.148   2.723
  115    H    LYS  20           H        LYS  20   0.969  -2.815   3.976
  116    HA   LYS  20           HA       LYS  20  -0.386  -4.839   5.503
  117    HB2  LYS  20           1HB      LYS  20  -0.358  -1.866   5.423
  118    HB3  LYS  20           2HB      LYS  20  -1.785  -2.641   6.099
  119    HG2  LYS  20           1HG      LYS  20  -0.136  -3.962   7.553
  120    HG3  LYS  20           2HG      LYS  20   1.045  -2.741   7.072
  121    HD2  LYS  20           1HD      LYS  20  -0.254  -0.993   8.041
  122    HD3  LYS  20           2HD      LYS  20  -1.626  -2.073   8.297
  123    HE2  LYS  20           1HE      LYS  20   1.066  -2.415   9.609
  124    HE3  LYS  20           2HE      LYS  20  -0.295  -1.576  10.353
  125    HZ1  LYS  20           3HZ      LYS  20  -1.211  -3.499  10.932
  126    HZ2  LYS  20           1HZ      LYS  20   0.233  -4.259  10.486
  127    HZ3  LYS  20           2HZ      LYS  20  -1.042  -4.150   9.380
  128    H    THR  21           H        THR  21  -2.880  -4.547   5.715
  129    HA   THR  21           HA       THR  21  -4.151  -4.074   3.127
  130    HB   THR  21           HB       THR  21  -5.346  -6.209   3.171
  131    HG1  THR  21           HG1      THR  21  -5.405  -7.095   5.103
  132   HG21  THR  21          3HG2      THR  21  -3.509  -6.419   1.792
  133   HG22  THR  21          1HG2      THR  21  -3.213  -7.719   2.946
  134   HG23  THR  21          2HG2      THR  21  -2.360  -6.184   3.108
  135    H    PHE  22           H        PHE  22  -6.188  -3.290   3.283
  136    HA   PHE  22           HA       PHE  22  -7.513  -3.381   5.904
  137    HB2  PHE  22           1HB      PHE  22  -7.468  -0.907   4.175
  138    HB3  PHE  22           2HB      PHE  22  -8.064  -1.059   5.825
  139    HD1  PHE  22           HD2      PHE  22  -4.944  -1.412   3.826
  140    HD2  PHE  22           HD1      PHE  22  -6.699  -0.458   7.584
  141    HE1  PHE  22           HE2      PHE  22  -2.739  -0.731   4.679
  142    HE2  PHE  22           HE1      PHE  22  -4.497   0.226   8.443
  143    HZ   PHE  22           HZ       PHE  22  -2.513   0.088   6.991
  144    H    SER  23           H        SER  23  -9.681  -3.691   5.856
  145    HA   SER  23           HA       SER  23 -10.888  -4.766   3.580
  146    HB2  SER  23           1HB      SER  23 -13.020  -4.557   4.865
  147    HB3  SER  23           2HB      SER  23 -11.717  -5.300   5.792
  148    HG   SER  23           HG       SER  23 -12.159  -3.805   7.198
  149    H    HIS  24           H        HIS  24 -11.178  -1.530   5.004
  150    HA   HIS  24           HA       HIS  24 -12.603  -0.652   2.585
  151    HB2  HIS  24           1HB      HIS  24 -12.639   0.252   5.431
  152    HB3  HIS  24           2HB      HIS  24 -12.960   1.441   4.172
  153    HD1  HIS  24           HD1      HIS  24 -15.102   0.500   6.251
  154    HD2  HIS  24           HD2      HIS  24 -14.703  -0.965   2.384
  155    HE1  HIS  24           HE1      HIS  24 -17.359  -0.430   5.648
  156    H    SER  25           H        SER  25 -12.021   1.375   1.625
  157    HA   SER  25           HA       SER  25  -9.226   1.705   1.331
  158    HB2  SER  25           1HB      SER  25 -10.930   2.210  -0.436
  159    HB3  SER  25           2HB      SER  25 -11.395   3.639   0.487
  160    HG   SER  25           HG       SER  25  -9.212   4.359   0.264
  161    H    ALA  26           H        ALA  26 -11.697   3.832   2.769
  162    HA   ALA  26           HA       ALA  26 -10.346   5.982   3.586
  163    HB1  ALA  26           3HB      ALA  26 -12.130   4.405   5.437
  164    HB2  ALA  26           1HB      ALA  26 -11.760   6.127   5.543
  165    HB3  ALA  26           2HB      ALA  26 -12.690   5.506   4.178
  166    H    HIS  27           H        HIS  27 -10.090   2.801   5.114
  167    HA   HIS  27           HA       HIS  27  -8.399   3.579   7.233
  168    HB2  HIS  27           1HB      HIS  27  -8.646   0.881   5.885
  169    HB3  HIS  27           2HB      HIS  27  -7.889   1.179   7.447
  170    HD1  HIS  27           HD1      HIS  27 -10.844  -0.171   6.229
  171    HD2  HIS  27           HD2      HIS  27 -10.045   2.693   9.130
  172    HE1  HIS  27           HE1      HIS  27 -12.888  -0.108   7.692
  173    H    LEU  28           H        LEU  28  -7.686   2.199   4.036
  174    HA   LEU  28           HA       LEU  28  -4.891   2.109   4.342
  175    HB2  LEU  28           1HB      LEU  28  -5.859   0.837   2.605
  176    HB3  LEU  28           2HB      LEU  28  -6.681   2.244   1.933
  177    HG   LEU  28           HG       LEU  28  -4.508   3.144   1.209
  178   HD11  LEU  28          1HD1      LEU  28  -2.648   2.406   2.162
  179   HD12  LEU  28          2HD1      LEU  28  -2.866   0.875   1.314
  180   HD13  LEU  28          3HD1      LEU  28  -3.517   1.082   2.940
  181   HD21  LEU  28          3HD2      LEU  28  -4.543   0.380   0.126
  182   HD22  LEU  28          1HD2      LEU  28  -4.469   1.928  -0.716
  183   HD23  LEU  28          2HD2      LEU  28  -6.001   1.356  -0.054
  184    H    SER  29           H        SER  29  -6.892   4.479   2.576
  185    HA   SER  29           HA       SER  29  -4.897   6.257   1.880
  186    HB2  SER  29           1HB      SER  29  -6.637   7.929   1.639
  187    HB3  SER  29           2HB      SER  29  -7.268   6.370   1.109
  188    HG   SER  29           HG       SER  29  -7.637   6.981   3.785
  189    H    LYS  30           H        LYS  30  -6.222   5.609   4.983
  190    HA   LYS  30           HA       LYS  30  -5.239   8.092   6.140
  191    HB2  LYS  30           1HB      LYS  30  -7.407   6.751   6.782
  192    HB3  LYS  30           2HB      LYS  30  -6.294   5.814   7.770
  193    HG2  LYS  30           1HG      LYS  30  -5.599   7.864   8.918
  194    HG3  LYS  30           2HG      LYS  30  -6.740   8.789   7.938
  195    HD2  LYS  30           1HD      LYS  30  -8.480   7.074   8.862
  196    HD3  LYS  30           2HD      LYS  30  -7.271   6.818  10.123
  197    HE2  LYS  30           1HE      LYS  30  -7.410   9.034  10.862
  198    HE3  LYS  30           2HE      LYS  30  -8.195   9.574   9.379
  199    HZ1  LYS  30           3HZ      LYS  30  -9.487   7.665  11.234
  200    HZ2  LYS  30           1HZ      LYS  30 -10.205   8.583  10.008
  201    HZ3  LYS  30           2HZ      LYS  30  -9.648   9.339  11.414
  202    H    HIS  31           H        HIS  31  -4.480   4.653   6.112
  203    HA   HIS  31           HA       HIS  31  -2.382   4.853   8.050
  204    HB2  HIS  31           1HB      HIS  31  -3.228   2.704   7.968
  205    HB3  HIS  31           2HB      HIS  31  -3.399   2.725   6.215
  206    HD1  HIS  31           HD1      HIS  31  -0.918   2.051   8.930
  207    HD2  HIS  31           HD2      HIS  31  -1.134   1.922   4.783
  208    HE1  HIS  31           HE1      HIS  31   1.140   0.810   8.188
  209    H    GLN  32           H        GLN  32  -2.640   5.660   4.778
  210    HA   GLN  32           HA       GLN  32   0.085   5.138   4.034
  211    HB2  GLN  32           1HB      GLN  32  -2.156   6.684   2.743
  212    HB3  GLN  32           2HB      GLN  32  -0.539   6.627   2.054
  213    HG2  GLN  32           1HG      GLN  32  -0.920   4.021   2.332
  214    HG3  GLN  32           2HG      GLN  32  -2.609   4.516   2.226
  215   HE21  GLN  32          1HE2      GLN  32  -0.559   3.108   0.415
  216   HE22  GLN  32          2HE2      GLN  32  -0.787   3.881  -1.113
  217    H    LEU  33           H        LEU  33  -1.746   7.883   5.240
  218    HA   LEU  33           HA       LEU  33   0.058   9.937   4.754
  219    HB2  LEU  33           1HB      LEU  33  -1.736   9.583   7.151
  220    HB3  LEU  33           2HB      LEU  33  -0.991  11.096   6.638
  221    HG   LEU  33           HG       LEU  33  -2.893   9.599   4.860
  222   HD11  LEU  33          1HD1      LEU  33  -3.475  11.186   7.276
  223   HD12  LEU  33          2HD1      LEU  33  -4.423   9.928   6.484
  224   HD13  LEU  33          3HD1      LEU  33  -4.427  11.570   5.842
  225   HD21  LEU  33          3HD2      LEU  33  -2.311  11.233   3.471
  226   HD22  LEU  33          1HD2      LEU  33  -1.382  12.051   4.728
  227   HD23  LEU  33          2HD2      LEU  33  -3.110  12.364   4.564
  228    H    ILE  34           H        ILE  34   0.199   7.348   7.046
  229    HA   ILE  34           HA       ILE  34   2.037   8.495   8.869
  230    HB   ILE  34           HB       ILE  34   2.185   6.423   9.872
  231   HG12  ILE  34          1HG1      ILE  34   1.786   5.247   7.120
  232   HG13  ILE  34          2HG1      ILE  34   3.222   5.155   8.133
  233   HG21  ILE  34          1HG2      ILE  34  -0.223   7.265   9.433
  234   HG22  ILE  34          2HG2      ILE  34  -0.334   5.872   8.358
  235   HG23  ILE  34          3HG2      ILE  34   0.015   5.638  10.070
  236   HD11  ILE  34          3HD1      ILE  34   1.735   3.872   9.776
  237   HD12  ILE  34          1HD1      ILE  34   0.628   3.695   8.414
  238   HD13  ILE  34          2HD1      ILE  34   2.266   3.050   8.309
  239    H    HIS  35           H        HIS  35   2.403   6.795   5.827
  240    HA   HIS  35           HA       HIS  35   5.227   6.404   6.069
  241    HB2  HIS  35           1HB      HIS  35   3.289   6.202   3.770
  242    HB3  HIS  35           2HB      HIS  35   5.022   5.981   3.545
  243    HD1  HIS  35           HD1      HIS  35   6.032   4.064   5.328
  244    HD2  HIS  35           HD2      HIS  35   2.020   3.876   4.263
  245    HE1  HIS  35           HE1      HIS  35   5.308   1.712   5.845
  246    H    ALA  36           H        ALA  36   3.146   8.887   4.733
  247    HA   ALA  36           HA       ALA  36   5.300  10.294   3.435
  248    HB1  ALA  36           3HB      ALA  36   2.950  10.325   2.609
  249    HB2  ALA  36           1HB      ALA  36   2.517  11.290   4.020
  250    HB3  ALA  36           2HB      ALA  36   3.655  11.926   2.832
  251    H    GLY  37           H        GLY  37   6.633  11.721   4.339
  252    HA2  GLY  37           1HA      GLY  37   5.822  12.944   6.905
  253    HA3  GLY  37           2HA      GLY  37   7.451  12.344   6.628
  254    H    GLU  38           H        GLU  38   5.489  15.042   6.574
  255    HA   GLU  38           HA       GLU  38   7.052  16.462   4.562
  256    HB2  GLU  38           1HB      GLU  38   4.676  17.313   6.223
  257    HB3  GLU  38           2HB      GLU  38   5.478  18.340   5.044
  258    HG2  GLU  38           1HG      GLU  38   3.773  17.552   3.771
  259    HG3  GLU  38           2HG      GLU  38   4.984  16.314   3.441
  260    H    ASN  39           H        ASN  39   8.530  15.632   6.778
  261    HA   ASN  39           HA       ASN  39   8.948  18.115   8.297
  262    HB2  ASN  39           1HB      ASN  39  10.208  16.687   9.898
  263    HB3  ASN  39           2HB      ASN  39   8.524  16.201   9.722
  264   HD21  ASN  39          1HD2      ASN  39  11.104  14.796  10.467
  265   HD22  ASN  39          2HD2      ASN  39  11.104  13.377   9.481
  266    HA   PRO  40           HA       PRO  40  12.479  17.888   5.294
  267    HB2  PRO  40           1HB      PRO  40  12.420  20.529   4.669
  268    HB3  PRO  40           2HB      PRO  40  11.426  19.324   3.842
  269    HG2  PRO  40           1HG      PRO  40  10.676  21.209   6.043
  270    HG3  PRO  40           2HG      PRO  40   9.768  20.776   4.582
  271    HD2  PRO  40           1HD      PRO  40   9.226  19.699   7.007
  272    HD3  PRO  40           2HD      PRO  40   9.001  18.802   5.491
  273    H    SER  41           H        SER  41  14.379  17.838   6.304
  274    HA   SER  41           HA       SER  41  14.903  19.665   8.518
  275    HB2  SER  41           1HB      SER  41  16.719  18.215   9.105
  276    HB3  SER  41           2HB      SER  41  15.348  17.183   8.697
  277    HG   SER  41           HG       SER  41  17.779  17.473   7.438
  278    H    GLY  42           H        GLY  42  14.815  20.923   6.042
  279    HA2  GLY  42           1HA      GLY  42  16.012  22.344   4.693
  280    HA3  GLY  42           2HA      GLY  42  17.145  22.432   6.034
  281    HA   PRO  43           HA       PRO  43  18.702  18.856   3.162
  282    HB2  PRO  43           1HB      PRO  43  17.497  18.649   0.738
  283    HB3  PRO  43           2HB      PRO  43  16.937  17.773   2.168
  284    HG2  PRO  43           1HG      PRO  43  15.889  20.307   0.967
  285    HG3  PRO  43           2HG      PRO  43  14.992  18.916   1.604
  286    HD2  PRO  43           1HD      PRO  43  15.341  21.197   3.021
  287    HD3  PRO  43           2HD      PRO  43  15.236  19.602   3.792
  288    H    SER  44           H        SER  44  18.176  22.072   2.576
  289    HA   SER  44           HA       SER  44  20.315  22.154   0.551
  290    HB2  SER  44           1HB      SER  44  18.299  22.847  -0.556
  291    HB3  SER  44           2HB      SER  44  17.868  23.917   0.778
  292    HG   SER  44           HG       SER  44  19.520  24.359  -1.344
  293    H    SER  45           H        SER  45  18.704  23.960   3.152
  294    HA   SER  45           HA       SER  45  21.309  25.182   3.788
  295    HB2  SER  45           1HB      SER  45  19.545  26.754   2.814
  296    HB3  SER  45           2HB      SER  45  18.649  26.510   4.314
  297    HG   SER  45           HG       SER  45  20.943  27.088   5.198
  298    H    GLY  46           H        GLY  46  21.839  23.670   5.356
  299    HA2  GLY  46           1HA      GLY  46  21.700  23.882   7.892
  300    HA3  GLY  46           2HA      GLY  46  20.003  23.488   7.658
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1   2.849 -28.055  19.704
    2    HA2  GLY   1           1HA      GLY   1   0.113 -28.053  19.964
    3    HA3  GLY   1           2HA      GLY   1   0.681 -26.964  21.220
    4    H    SER   2           H        SER   2  -0.910 -26.454  18.777
    5    HA   SER   2           HA       SER   2   0.743 -24.264  17.749
    6    HB2  SER   2           1HB      SER   2  -0.852 -26.134  15.979
    7    HB3  SER   2           2HB      SER   2   0.049 -24.716  15.443
    8    HG   SER   2           HG       SER   2   1.371 -26.450  15.122
    9    H    SER   3           H        SER   3  -0.312 -22.417  17.974
   10    HA   SER   3           HA       SER   3  -3.253 -22.478  18.080
   11    HB2  SER   3           1HB      SER   3  -1.192 -20.882  19.521
   12    HB3  SER   3           2HB      SER   3  -2.721 -20.087  19.147
   13    HG   SER   3           HG       SER   3  -3.683 -21.276  20.596
   14    H    GLY   4           H        GLY   4  -4.042 -21.982  16.128
   15    HA2  GLY   4           1HA      GLY   4  -2.855 -20.658  14.049
   16    HA3  GLY   4           2HA      GLY   4  -4.591 -20.657  14.326
   17    H    SER   5           H        SER   5  -5.476 -18.965  15.701
   18    HA   SER   5           HA       SER   5  -5.810 -16.744  16.090
   19    HB2  SER   5           1HB      SER   5  -4.127 -17.385  17.874
   20    HB3  SER   5           2HB      SER   5  -2.880 -16.697  16.833
   21    HG   SER   5           HG       SER   5  -5.113 -15.120  17.358
   22    H    SER   6           H        SER   6  -5.347 -17.282  13.424
   23    HA   SER   6           HA       SER   6  -3.543 -15.153  12.512
   24    HB2  SER   6           1HB      SER   6  -4.785 -17.509  11.089
   25    HB3  SER   6           2HB      SER   6  -3.945 -16.215  10.235
   26    HG   SER   6           HG       SER   6  -2.188 -17.249  10.697
   27    H    GLY   7           H        GLY   7  -4.317 -13.896  10.578
   28    HA2  GLY   7           1HA      GLY   7  -7.208 -13.330  10.813
   29    HA3  GLY   7           2HA      GLY   7  -6.011 -12.047  10.717
   30    H    THR   8           H        THR   8  -8.338 -12.973   8.971
   31    HA   THR   8           HA       THR   8  -7.308 -13.926   6.529
   32    HB   THR   8           HB       THR   8  -9.403 -13.113   5.517
   33    HG1  THR   8           HG1      THR   8 -10.546 -11.603   6.472
   34   HG21  THR   8          3HG2      THR   8 -10.971 -14.270   7.242
   35   HG22  THR   8          1HG2      THR   8  -9.474 -14.621   8.104
   36   HG23  THR   8          2HG2      THR   8  -9.704 -15.213   6.459
   37    H    LYS   9           H        LYS   9  -5.773 -12.926   5.401
   38    HA   LYS   9           HA       LYS   9  -5.732  -9.998   5.297
   39    HB2  LYS   9           1HB      LYS   9  -3.470 -10.284   4.331
   40    HB3  LYS   9           2HB      LYS   9  -3.631 -11.032   5.914
   41    HG2  LYS   9           1HG      LYS   9  -3.472 -13.158   5.083
   42    HG3  LYS   9           2HG      LYS   9  -4.092 -12.700   3.494
   43    HD2  LYS   9           1HD      LYS   9  -1.840 -13.084   3.078
   44    HD3  LYS   9           2HD      LYS   9  -1.902 -11.334   3.298
   45    HE2  LYS   9           1HE      LYS   9  -1.416 -11.934   5.798
   46    HE3  LYS   9           2HE      LYS   9  -0.816 -13.443   5.112
   47    HZ1  LYS   9           3HZ      LYS   9   0.600 -11.139   5.363
   48    HZ2  LYS   9           1HZ      LYS   9   0.154 -11.127   3.731
   49    HZ3  LYS   9           2HZ      LYS   9   1.009 -12.442   4.364
   50    H    GLU  10           H        GLU  10  -7.814 -11.063   3.887
   51    HA   GLU  10           HA       GLU  10  -6.934 -10.895   1.081
   52    HB2  GLU  10           1HB      GLU  10  -9.341 -12.231   2.317
   53    HB3  GLU  10           2HB      GLU  10  -9.168 -11.977   0.586
   54    HG2  GLU  10           1HG      GLU  10  -7.097 -13.307   0.625
   55    HG3  GLU  10           2HG      GLU  10  -7.351 -13.610   2.343
   56    H    HIS  11           H        HIS  11  -6.946  -8.500   1.833
   57    HA   HIS  11           HA       HIS  11  -9.639  -7.364   1.505
   58    HB2  HIS  11           1HB      HIS  11  -7.175  -5.909   2.466
   59    HB3  HIS  11           2HB      HIS  11  -8.852  -5.383   2.588
   60    HD1  HIS  11           HD1      HIS  11  -7.208  -5.461   5.120
   61    HD2  HIS  11           HD2      HIS  11  -9.439  -8.695   3.768
   62    HE1  HIS  11           HE1      HIS  11  -7.644  -6.874   7.154
   63    HA   PRO  12           HA       PRO  12  -8.608  -5.930  -2.525
   64    HB2  PRO  12           1HB      PRO  12 -10.362  -3.866  -2.714
   65    HB3  PRO  12           2HB      PRO  12 -10.858  -5.560  -2.806
   66    HG2  PRO  12           1HG      PRO  12 -10.973  -3.676  -0.482
   67    HG3  PRO  12           2HG      PRO  12 -12.186  -4.844  -1.037
   68    HD2  PRO  12           1HD      PRO  12 -10.530  -5.343   1.047
   69    HD3  PRO  12           2HD      PRO  12 -11.116  -6.623  -0.035
   70    H    PHE  13           H        PHE  13  -8.041  -4.162   0.298
   71    HA   PHE  13           HA       PHE  13  -6.544  -2.124  -1.215
   72    HB2  PHE  13           1HB      PHE  13  -7.798  -1.797   1.519
   73    HB3  PHE  13           2HB      PHE  13  -6.920  -0.562   0.623
   74    HD1  PHE  13           HD2      PHE  13  -7.887   0.297  -1.526
   75    HD2  PHE  13           HD1      PHE  13 -10.086  -2.166   1.160
   76    HE1  PHE  13           HE2      PHE  13  -9.986   1.023  -2.585
   77    HE2  PHE  13           HE1      PHE  13 -12.189  -1.445   0.106
   78    HZ   PHE  13           HZ       PHE  13 -12.141   0.153  -1.769
   79    H    LYS  14           H        LYS  14  -4.466  -2.677  -1.146
   80    HA   LYS  14           HA       LYS  14  -3.333  -3.490   1.450
   81    HB2  LYS  14           1HB      LYS  14  -3.414  -5.372  -0.158
   82    HB3  LYS  14           2HB      LYS  14  -2.446  -4.430  -1.285
   83    HG2  LYS  14           1HG      LYS  14  -0.813  -4.312   0.798
   84    HG3  LYS  14           2HG      LYS  14  -1.650  -5.809   1.214
   85    HD2  LYS  14           1HD      LYS  14   0.055  -6.646  -0.064
   86    HD3  LYS  14           2HD      LYS  14  -1.163  -6.382  -1.314
   87    HE2  LYS  14           1HE      LYS  14   0.692  -4.151  -0.667
   88    HE3  LYS  14           2HE      LYS  14   1.328  -5.519  -1.578
   89    HZ1  LYS  14           3HZ      LYS  14  -0.981  -3.813  -2.334
   90    HZ2  LYS  14           1HZ      LYS  14  -0.497  -5.197  -3.178
   91    HZ3  LYS  14           2HZ      LYS  14   0.533  -3.858  -3.088
   92    H    CYS  15           H        CYS  15  -1.817  -2.172   2.206
   93    HA   CYS  15           HA       CYS  15  -0.986   0.140   0.832
   94    HB2  CYS  15           1HB      CYS  15  -1.066  -0.114   3.318
   95    HB3  CYS  15           2HB      CYS  15   0.354  -1.151   3.217
   96    H    ASN  16           H        ASN  16   0.488   0.382  -0.702
   97    HA   ASN  16           HA       ASN  16   2.259  -1.793  -1.388
   98    HB2  ASN  16           1HB      ASN  16   2.159   0.954  -2.641
   99    HB3  ASN  16           2HB      ASN  16   2.793  -0.528  -3.351
  100   HD21  ASN  16          1HD2      ASN  16   1.516  -1.518  -4.725
  101   HD22  ASN  16          2HD2      ASN  16  -0.206  -1.386  -4.795
  102    H    GLU  17           H        GLU  17   2.408   0.913   0.624
  103    HA   GLU  17           HA       GLU  17   5.189   1.519   0.315
  104    HB2  GLU  17           1HB      GLU  17   3.496   2.154   2.726
  105    HB3  GLU  17           2HB      GLU  17   4.914   3.013   2.141
  106    HG2  GLU  17           1HG      GLU  17   3.441   3.401   0.021
  107    HG3  GLU  17           2HG      GLU  17   2.114   3.068   1.132
  108    H    CYS  18           H        CYS  18   3.273  -0.472   2.508
  109    HA   CYS  18           HA       CYS  18   5.785  -1.612   3.545
  110    HB2  CYS  18           1HB      CYS  18   4.576  -2.054   5.672
  111    HB3  CYS  18           2HB      CYS  18   4.729  -0.337   5.313
  112    H    GLY  19           H        GLY  19   2.351  -2.232   2.885
  113    HA2  GLY  19           1HA      GLY  19   1.997  -4.245   1.434
  114    HA3  GLY  19           2HA      GLY  19   3.033  -5.091   2.575
  115    H    LYS  20           H        LYS  20   1.062  -2.825   4.106
  116    HA   LYS  20           HA       LYS  20  -0.359  -4.796   5.551
  117    HB2  LYS  20           1HB      LYS  20  -0.385  -1.824   5.398
  118    HB3  LYS  20           2HB      LYS  20  -1.788  -2.610   6.111
  119    HG2  LYS  20           1HG      LYS  20   0.056  -3.894   7.486
  120    HG3  LYS  20           2HG      LYS  20   1.011  -2.463   7.091
  121    HD2  LYS  20           1HD      LYS  20  -0.598  -1.023   8.129
  122    HD3  LYS  20           2HD      LYS  20  -1.728  -2.362   8.348
  123    HE2  LYS  20           1HE      LYS  20   0.996  -2.172   9.632
  124    HE3  LYS  20           2HE      LYS  20  -0.521  -1.742  10.422
  125    HZ1  LYS  20           3HZ      LYS  20  -1.269  -4.044  10.057
  126    HZ2  LYS  20           1HZ      LYS  20   0.103  -3.956  11.043
  127    HZ3  LYS  20           2HZ      LYS  20   0.253  -4.430   9.427
  128    H    THR  21           H        THR  21  -2.907  -4.278   5.787
  129    HA   THR  21           HA       THR  21  -4.183  -3.971   3.198
  130    HB   THR  21           HB       THR  21  -5.434  -6.130   3.440
  131    HG1  THR  21           HG1      THR  21  -5.080  -7.299   5.160
  132   HG21  THR  21          3HG2      THR  21  -2.440  -6.390   3.143
  133   HG22  THR  21          1HG2      THR  21  -3.559  -5.903   1.871
  134   HG23  THR  21          2HG2      THR  21  -3.644  -7.531   2.545
  135    H    PHE  22           H        PHE  22  -6.345  -3.423   3.328
  136    HA   PHE  22           HA       PHE  22  -7.626  -3.425   5.953
  137    HB2  PHE  22           1HB      PHE  22  -7.570  -0.921   4.271
  138    HB3  PHE  22           2HB      PHE  22  -8.156  -1.102   5.921
  139    HD1  PHE  22           HD2      PHE  22  -5.046  -1.442   3.902
  140    HD2  PHE  22           HD1      PHE  22  -6.782  -0.520   7.678
  141    HE1  PHE  22           HE2      PHE  22  -2.834  -0.782   4.754
  142    HE2  PHE  22           HE1      PHE  22  -4.573   0.142   8.536
  143    HZ   PHE  22           HZ       PHE  22  -2.595   0.010   7.074
  144    H    SER  23           H        SER  23  -9.859  -3.483   5.896
  145    HA   SER  23           HA       SER  23 -10.995  -4.322   3.367
  146    HB2  SER  23           1HB      SER  23 -11.442  -5.469   5.591
  147    HB3  SER  23           2HB      SER  23 -12.434  -4.073   6.012
  148    HG   SER  23           HG       SER  23 -13.840  -4.579   4.406
  149    H    HIS  24           H        HIS  24 -10.226  -1.516   3.727
  150    HA   HIS  24           HA       HIS  24 -12.468  -0.298   2.525
  151    HB2  HIS  24           1HB      HIS  24 -12.140   0.046   5.462
  152    HB3  HIS  24           2HB      HIS  24 -12.567   1.475   4.525
  153    HD1  HIS  24           HD1      HIS  24 -14.242  -0.690   6.540
  154    HD2  HIS  24           HD2      HIS  24 -14.817   0.329   2.554
  155    HE1  HIS  24           HE1      HIS  24 -16.641  -1.253   6.042
  156    H    SER  25           H        SER  25 -11.687   1.234   1.236
  157    HA   SER  25           HA       SER  25  -9.017   1.917   1.060
  158    HB2  SER  25           1HB      SER  25  -9.672   3.630  -0.494
  159    HB3  SER  25           2HB      SER  25 -10.780   2.274  -0.704
  160    HG   SER  25           HG       SER  25 -12.216   3.810  -0.472
  161    H    ALA  26           H        ALA  26 -11.599   3.500   2.856
  162    HA   ALA  26           HA       ALA  26 -10.394   5.885   3.543
  163    HB1  ALA  26           3HB      ALA  26 -11.872   5.966   5.433
  164    HB2  ALA  26           1HB      ALA  26 -12.729   5.232   4.078
  165    HB3  ALA  26           2HB      ALA  26 -12.105   4.219   5.381
  166    H    HIS  27           H        HIS  27 -10.012   2.707   5.054
  167    HA   HIS  27           HA       HIS  27  -8.351   3.600   7.177
  168    HB2  HIS  27           1HB      HIS  27  -8.612   0.843   5.957
  169    HB3  HIS  27           2HB      HIS  27  -7.832   1.209   7.493
  170    HD1  HIS  27           HD1      HIS  27 -10.614  -0.454   6.682
  171    HD2  HIS  27           HD2      HIS  27 -10.154   3.070   8.833
  172    HE1  HIS  27           HE1      HIS  27 -12.686  -0.252   8.093
  173    H    LEU  28           H        LEU  28  -7.608   1.930   4.118
  174    HA   LEU  28           HA       LEU  28  -4.849   1.839   4.366
  175    HB2  LEU  28           1HB      LEU  28  -5.871   0.627   2.616
  176    HB3  LEU  28           2HB      LEU  28  -6.631   2.075   1.959
  177    HG   LEU  28           HG       LEU  28  -4.451   2.887   1.211
  178   HD11  LEU  28          1HD1      LEU  28  -2.476   1.979   1.771
  179   HD12  LEU  28          2HD1      LEU  28  -3.088   0.328   1.673
  180   HD13  LEU  28          3HD1      LEU  28  -3.382   1.292   3.120
  181   HD21  LEU  28          3HD2      LEU  28  -5.903   1.334  -0.170
  182   HD22  LEU  28          1HD2      LEU  28  -4.787   0.046   0.286
  183   HD23  LEU  28          2HD2      LEU  28  -4.203   1.436  -0.630
  184    H    SER  29           H        SER  29  -6.724   4.288   2.568
  185    HA   SER  29           HA       SER  29  -4.676   5.995   1.903
  186    HB2  SER  29           1HB      SER  29  -6.848   6.410   1.008
  187    HB3  SER  29           2HB      SER  29  -7.550   6.594   2.615
  188    HG   SER  29           HG       SER  29  -6.292   8.491   2.856
  189    H    LYS  30           H        LYS  30  -6.468   5.819   4.941
  190    HA   LYS  30           HA       LYS  30  -5.238   8.097   6.122
  191    HB2  LYS  30           1HB      LYS  30  -7.427   6.773   6.762
  192    HB3  LYS  30           2HB      LYS  30  -6.323   5.854   7.775
  193    HG2  LYS  30           1HG      LYS  30  -5.873   7.646   9.147
  194    HG3  LYS  30           2HG      LYS  30  -6.312   8.833   7.917
  195    HD2  LYS  30           1HD      LYS  30  -8.683   8.064   8.142
  196    HD3  LYS  30           2HD      LYS  30  -8.171   7.070   9.508
  197    HE2  LYS  30           1HE      LYS  30  -7.674   8.924  10.827
  198    HE3  LYS  30           2HE      LYS  30  -7.573  10.004   9.437
  199    HZ1  LYS  30           3HZ      LYS  30  -9.938   9.895   9.172
  200    HZ2  LYS  30           1HZ      LYS  30  -9.601  10.315  10.776
  201    HZ3  LYS  30           2HZ      LYS  30 -10.081   8.738  10.397
  202    H    HIS  31           H        HIS  31  -4.558   4.635   6.166
  203    HA   HIS  31           HA       HIS  31  -2.452   4.825   8.091
  204    HB2  HIS  31           1HB      HIS  31  -3.339   2.691   8.034
  205    HB3  HIS  31           2HB      HIS  31  -3.505   2.692   6.281
  206    HD1  HIS  31           HD1      HIS  31  -1.056   1.990   9.014
  207    HD2  HIS  31           HD2      HIS  31  -1.240   1.846   4.865
  208    HE1  HIS  31           HE1      HIS  31   0.983   0.706   8.294
  209    H    GLN  32           H        GLN  32  -2.689   5.594   4.808
  210    HA   GLN  32           HA       GLN  32   0.028   5.012   4.078
  211    HB2  GLN  32           1HB      GLN  32  -2.215   6.528   2.768
  212    HB3  GLN  32           2HB      GLN  32  -0.590   6.540   2.095
  213    HG2  GLN  32           1HG      GLN  32  -0.796   3.956   2.241
  214    HG3  GLN  32           2HG      GLN  32  -2.526   4.283   2.326
  215   HE21  GLN  32          1HE2      GLN  32  -0.598   3.116   0.259
  216   HE22  GLN  32          2HE2      GLN  32  -1.040   3.923  -1.204
  217    H    LEU  33           H        LEU  33  -1.753   7.801   5.252
  218    HA   LEU  33           HA       LEU  33   0.100   9.812   4.742
  219    HB2  LEU  33           1HB      LEU  33  -1.763   9.516   7.093
  220    HB3  LEU  33           2HB      LEU  33  -0.934  11.003   6.638
  221    HG   LEU  33           HG       LEU  33  -2.806   9.637   4.735
  222   HD11  LEU  33          1HD1      LEU  33  -4.319  11.623   5.768
  223   HD12  LEU  33          2HD1      LEU  33  -3.469  11.073   7.212
  224   HD13  LEU  33          3HD1      LEU  33  -4.425   9.934   6.265
  225   HD21  LEU  33          3HD2      LEU  33  -1.904  11.292   3.507
  226   HD22  LEU  33          1HD2      LEU  33  -1.370  12.196   4.924
  227   HD23  LEU  33          2HD2      LEU  33  -3.046  12.310   4.386
  228    H    ILE  34           H        ILE  34   0.186   7.237   7.038
  229    HA   ILE  34           HA       ILE  34   2.024   8.383   8.874
  230    HB   ILE  34           HB       ILE  34   2.116   6.324   9.915
  231   HG12  ILE  34          1HG1      ILE  34   1.721   5.129   7.174
  232   HG13  ILE  34          2HG1      ILE  34   3.118   4.975   8.234
  233   HG21  ILE  34          1HG2      ILE  34  -0.419   5.853   8.391
  234   HG22  ILE  34          2HG2      ILE  34  -0.079   5.577  10.099
  235   HG23  ILE  34          3HG2      ILE  34  -0.259   7.222   9.491
  236   HD11  ILE  34          3HD1      ILE  34   1.567   3.755   9.832
  237   HD12  ILE  34          1HD1      ILE  34   0.433   3.670   8.484
  238   HD13  ILE  34          2HD1      ILE  34   2.022   2.916   8.349
  239    H    HIS  35           H        HIS  35   2.361   6.827   5.791
  240    HA   HIS  35           HA       HIS  35   5.192   6.331   6.093
  241    HB2  HIS  35           1HB      HIS  35   3.254   6.034   3.805
  242    HB3  HIS  35           2HB      HIS  35   4.987   5.807   3.588
  243    HD1  HIS  35           HD1      HIS  35   6.026   3.929   5.345
  244    HD2  HIS  35           HD2      HIS  35   1.963   3.763   4.493
  245    HE1  HIS  35           HE1      HIS  35   5.299   1.607   5.984
  246    H    ALA  36           H        ALA  36   3.109   8.713   4.554
  247    HA   ALA  36           HA       ALA  36   4.967  10.055   2.984
  248    HB1  ALA  36           3HB      ALA  36   3.325  11.551   2.637
  249    HB2  ALA  36           1HB      ALA  36   2.335  10.388   3.519
  250    HB3  ALA  36           2HB      ALA  36   3.023  11.777   4.360
  251    H    GLY  37           H        GLY  37   6.868  10.862   3.578
  252    HA2  GLY  37           1HA      GLY  37   8.453  12.055   4.734
  253    HA3  GLY  37           2HA      GLY  37   7.123  12.901   5.510
  254    H    GLU  38           H        GLU  38   6.043  11.721   7.320
  255    HA   GLU  38           HA       GLU  38   7.601  11.258   9.442
  256    HB2  GLU  38           1HB      GLU  38   5.131   9.637   8.801
  257    HB3  GLU  38           2HB      GLU  38   5.836   9.841  10.398
  258    HG2  GLU  38           1HG      GLU  38   5.340  12.195  10.371
  259    HG3  GLU  38           2HG      GLU  38   4.757  12.085   8.711
  260    H    ASN  39           H        ASN  39   9.395  10.086   9.604
  261    HA   ASN  39           HA       ASN  39   9.352   7.265   9.505
  262    HB2  ASN  39           1HB      ASN  39   9.342   7.648   7.073
  263    HB3  ASN  39           2HB      ASN  39  10.807   8.614   7.220
  264   HD21  ASN  39          1HD2      ASN  39   9.731   5.720   6.298
  265   HD22  ASN  39          2HD2      ASN  39  11.121   4.746   6.623
  266    HA   PRO  40           HA       PRO  40  12.801   8.064  12.128
  267    HB2  PRO  40           1HB      PRO  40  13.789   5.540  12.285
  268    HB3  PRO  40           2HB      PRO  40  12.316   6.048  13.119
  269    HG2  PRO  40           1HG      PRO  40  12.614   4.559  10.539
  270    HG3  PRO  40           2HG      PRO  40  11.484   4.269  11.874
  271    HD2  PRO  40           1HD      PRO  40  10.759   5.559   9.607
  272    HD3  PRO  40           2HD      PRO  40  10.050   5.938  11.189
  273    H    SER  41           H        SER  41  15.148   7.914  12.183
  274    HA   SER  41           HA       SER  41  16.482   8.827  10.037
  275    HB2  SER  41           1HB      SER  41  17.361   8.396  12.415
  276    HB3  SER  41           2HB      SER  41  17.814   6.797  11.825
  277    HG   SER  41           HG       SER  41  19.100   9.116  11.509
  278    H    GLY  42           H        GLY  42  16.547   5.361  10.908
  279    HA2  GLY  42           1HA      GLY  42  16.785   3.483   9.611
  280    HA3  GLY  42           2HA      GLY  42  16.006   4.404   8.332
  281    HA   PRO  43           HA       PRO  43  20.518   3.458   7.314
  282    HB2  PRO  43           1HB      PRO  43  20.040   1.840   5.187
  283    HB3  PRO  43           2HB      PRO  43  20.185   1.235   6.842
  284    HG2  PRO  43           1HG      PRO  43  17.719   1.808   5.244
  285    HG3  PRO  43           2HG      PRO  43  18.073   0.427   6.298
  286    HD2  PRO  43           1HD      PRO  43  16.537   2.510   7.093
  287    HD3  PRO  43           2HD      PRO  43  17.567   1.601   8.216
  288    H    SER  44           H        SER  44  17.659   4.231   5.421
  289    HA   SER  44           HA       SER  44  19.091   5.296   3.187
  290    HB2  SER  44           1HB      SER  44  16.218   5.806   3.991
  291    HB3  SER  44           2HB      SER  44  16.926   6.056   2.395
  292    HG   SER  44           HG       SER  44  17.424   3.706   2.535
  293    H    SER  45           H        SER  45  18.654   7.623   2.488
  294    HA   SER  45           HA       SER  45  19.845   9.361   4.363
  295    HB2  SER  45           1HB      SER  45  19.856   9.500   1.786
  296    HB3  SER  45           2HB      SER  45  18.299  10.311   1.958
  297    HG   SER  45           HG       SER  45  20.400  11.228   3.539
  298    H    GLY  46           H        GLY  46  16.583   9.559   2.915
  299    HA2  GLY  46           1HA      GLY  46  14.574  10.174   3.867
  300    HA3  GLY  46           2HA      GLY  46  15.352  10.104   5.441
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1   6.373 -25.026 -12.652
    2    HA2  GLY   1           1HA      GLY   1   8.646 -23.162 -12.773
    3    HA3  GLY   1           2HA      GLY   1   7.026 -22.562 -13.094
    4    H    SER   2           H        SER   2   7.656 -21.129 -11.257
    5    HA   SER   2           HA       SER   2   6.667 -22.303  -8.772
    6    HB2  SER   2           1HB      SER   2   9.025 -22.481  -8.424
    7    HB3  SER   2           2HB      SER   2   9.306 -20.858  -9.055
    8    HG   SER   2           HG       SER   2   8.244 -21.653  -6.580
    9    H    SER   3           H        SER   3   5.269 -21.006  -7.758
   10    HA   SER   3           HA       SER   3   4.202 -18.736  -8.886
   11    HB2  SER   3           1HB      SER   3   3.104 -20.023  -7.091
   12    HB3  SER   3           2HB      SER   3   4.284 -19.409  -5.933
   13    HG   SER   3           HG       SER   3   2.151 -18.102  -7.176
   14    H    GLY   4           H        GLY   4   6.477 -18.824  -6.134
   15    HA2  GLY   4           1HA      GLY   4   7.807 -17.168  -5.241
   16    HA3  GLY   4           2HA      GLY   4   8.212 -16.869  -6.925
   17    H    SER   5           H        SER   5   5.350 -16.282  -4.877
   18    HA   SER   5           HA       SER   5   5.503 -13.446  -5.651
   19    HB2  SER   5           1HB      SER   5   3.156 -13.332  -6.030
   20    HB3  SER   5           2HB      SER   5   3.713 -14.762  -6.898
   21    HG   SER   5           HG       SER   5   1.950 -15.416  -5.775
   22    H    SER   6           H        SER   6   3.869 -12.156  -4.209
   23    HA   SER   6           HA       SER   6   3.737 -13.193  -1.488
   24    HB2  SER   6           1HB      SER   6   5.943 -12.094  -1.626
   25    HB3  SER   6           2HB      SER   6   5.161 -10.604  -2.154
   26    HG   SER   6           HG       SER   6   5.222 -11.794   0.367
   27    H    GLY   7           H        GLY   7   2.332 -11.976  -0.102
   28    HA2  GLY   7           1HA      GLY   7   0.809 -10.139   0.246
   29    HA3  GLY   7           2HA      GLY   7   0.627 -10.019  -1.498
   30    H    THR   8           H        THR   8  -1.134 -10.639   1.031
   31    HA   THR   8           HA       THR   8  -2.385 -13.116   0.132
   32    HB   THR   8           HB       THR   8  -3.826 -12.862   2.137
   33    HG1  THR   8           HG1      THR   8  -2.795 -11.146   3.633
   34   HG21  THR   8          3HG2      THR   8  -0.844 -12.711   2.566
   35   HG22  THR   8          1HG2      THR   8  -1.825 -14.164   2.379
   36   HG23  THR   8          2HG2      THR   8  -1.998 -13.163   3.821
   37    H    LYS   9           H        LYS   9  -4.703 -13.231  -0.201
   38    HA   LYS   9           HA       LYS   9  -5.714 -10.804  -1.509
   39    HB2  LYS   9           1HB      LYS   9  -6.353 -13.728  -1.863
   40    HB3  LYS   9           2HB      LYS   9  -7.368 -12.461  -2.540
   41    HG2  LYS   9           1HG      LYS   9  -5.456 -11.621  -3.819
   42    HG3  LYS   9           2HG      LYS   9  -4.454 -12.913  -3.153
   43    HD2  LYS   9           1HD      LYS   9  -6.994 -13.469  -4.663
   44    HD3  LYS   9           2HD      LYS   9  -5.438 -13.286  -5.475
   45    HE2  LYS   9           1HE      LYS   9  -5.442 -15.547  -5.164
   46    HE3  LYS   9           2HE      LYS   9  -4.682 -15.045  -3.655
   47    HZ1  LYS   9           3HZ      LYS   9  -7.501 -15.047  -3.389
   48    HZ2  LYS   9           1HZ      LYS   9  -6.347 -15.920  -2.512
   49    HZ3  LYS   9           2HZ      LYS   9  -6.975 -16.554  -3.949
   50    H    GLU  10           H        GLU  10  -5.854 -10.875   1.273
   51    HA   GLU  10           HA       GLU  10  -8.453 -11.772   2.109
   52    HB2  GLU  10           1HB      GLU  10  -6.463  -9.972   3.501
   53    HB3  GLU  10           2HB      GLU  10  -7.899 -10.665   4.241
   54    HG2  GLU  10           1HG      GLU  10  -7.016 -12.894   3.960
   55    HG3  GLU  10           2HG      GLU  10  -5.611 -12.257   3.106
   56    H    HIS  11           H        HIS  11  -6.987  -8.518   2.065
   57    HA   HIS  11           HA       HIS  11  -9.680  -7.409   1.651
   58    HB2  HIS  11           1HB      HIS  11  -7.285  -5.805   2.508
   59    HB3  HIS  11           2HB      HIS  11  -8.992  -5.440   2.737
   60    HD1  HIS  11           HD1      HIS  11  -7.178  -5.316   5.151
   61    HD2  HIS  11           HD2      HIS  11  -9.182  -8.768   3.995
   62    HE1  HIS  11           HE1      HIS  11  -7.341  -6.727   7.227
   63    HA   PRO  12           HA       PRO  12  -8.605  -6.136  -2.419
   64    HB2  PRO  12           1HB      PRO  12 -10.325  -4.054  -2.703
   65    HB3  PRO  12           2HB      PRO  12 -10.847  -5.742  -2.730
   66    HG2  PRO  12           1HG      PRO  12 -10.945  -3.764  -0.485
   67    HG3  PRO  12           2HG      PRO  12 -12.174  -4.934  -1.000
   68    HD2  PRO  12           1HD      PRO  12 -10.539  -5.373   1.113
   69    HD3  PRO  12           2HD      PRO  12 -11.139  -6.687   0.081
   70    H    PHE  13           H        PHE  13  -8.148  -4.168   0.330
   71    HA   PHE  13           HA       PHE  13  -6.612  -2.215  -1.253
   72    HB2  PHE  13           1HB      PHE  13  -7.822  -1.876   1.499
   73    HB3  PHE  13           2HB      PHE  13  -6.904  -0.654   0.625
   74    HD1  PHE  13           HD2      PHE  13  -7.836   0.255  -1.522
   75    HD2  PHE  13           HD1      PHE  13 -10.118  -2.166   1.132
   76    HE1  PHE  13           HE2      PHE  13  -9.908   1.056  -2.579
   77    HE2  PHE  13           HE1      PHE  13 -12.194  -1.370   0.078
   78    HZ   PHE  13           HZ       PHE  13 -12.091   0.244  -1.779
   79    H    LYS  14           H        LYS  14  -4.494  -2.495  -1.157
   80    HA   LYS  14           HA       LYS  14  -3.310  -3.471   1.357
   81    HB2  LYS  14           1HB      LYS  14  -3.185  -5.296  -0.183
   82    HB3  LYS  14           2HB      LYS  14  -2.615  -4.248  -1.475
   83    HG2  LYS  14           1HG      LYS  14  -0.647  -3.823   0.248
   84    HG3  LYS  14           2HG      LYS  14  -1.142  -5.420   0.813
   85    HD2  LYS  14           1HD      LYS  14  -0.837  -6.334  -1.412
   86    HD3  LYS  14           2HD      LYS  14  -0.444  -4.732  -2.043
   87    HE2  LYS  14           1HE      LYS  14   1.156  -5.793   0.231
   88    HE3  LYS  14           2HE      LYS  14   1.439  -6.464  -1.374
   89    HZ1  LYS  14           3HZ      LYS  14   1.801  -3.680  -0.456
   90    HZ2  LYS  14           1HZ      LYS  14   1.638  -4.045  -2.100
   91    HZ3  LYS  14           2HZ      LYS  14   2.920  -4.697  -1.212
   92    H    CYS  15           H        CYS  15  -1.702  -2.269   2.162
   93    HA   CYS  15           HA       CYS  15  -1.058   0.236   1.014
   94    HB2  CYS  15           1HB      CYS  15  -1.028  -0.262   3.460
   95    HB3  CYS  15           2HB      CYS  15   0.420  -1.231   3.207
   96    H    ASN  16           H        ASN  16   0.250   0.606  -0.639
   97    HA   ASN  16           HA       ASN  16   2.157  -1.384  -1.502
   98    HB2  ASN  16           1HB      ASN  16   1.066   1.160  -2.606
   99    HB3  ASN  16           2HB      ASN  16   2.637   0.622  -3.192
  100   HD21  ASN  16          1HD2      ASN  16   0.904   0.744  -5.084
  101   HD22  ASN  16          2HD2      ASN  16   0.246  -0.795  -5.511
  102    H    GLU  17           H        GLU  17   2.432   0.342   1.031
  103    HA   GLU  17           HA       GLU  17   5.132   1.374   0.462
  104    HB2  GLU  17           1HB      GLU  17   3.301   2.171   2.730
  105    HB3  GLU  17           2HB      GLU  17   4.856   2.889   2.336
  106    HG2  GLU  17           1HG      GLU  17   3.700   3.352   0.028
  107    HG3  GLU  17           2HG      GLU  17   2.227   3.196   0.984
  108    H    CYS  18           H        CYS  18   3.188  -0.672   2.511
  109    HA   CYS  18           HA       CYS  18   5.658  -1.711   3.728
  110    HB2  CYS  18           1HB      CYS  18   4.470  -2.045   5.843
  111    HB3  CYS  18           2HB      CYS  18   4.468  -0.344   5.387
  112    H    GLY  19           H        GLY  19   2.415  -2.304   2.554
  113    HA2  GLY  19           1HA      GLY  19   1.990  -4.336   1.317
  114    HA3  GLY  19           2HA      GLY  19   3.077  -5.173   2.414
  115    H    LYS  20           H        LYS  20   1.008  -2.954   3.946
  116    HA   LYS  20           HA       LYS  20  -0.323  -5.029   5.384
  117    HB2  LYS  20           1HB      LYS  20  -0.315  -2.057   5.414
  118    HB3  LYS  20           2HB      LYS  20  -1.722  -2.860   6.099
  119    HG2  LYS  20           1HG      LYS  20   0.172  -4.261   7.332
  120    HG3  LYS  20           2HG      LYS  20   1.073  -2.767   7.065
  121    HD2  LYS  20           1HD      LYS  20   0.113  -2.252   9.066
  122    HD3  LYS  20           2HD      LYS  20  -1.176  -1.698   7.994
  123    HE2  LYS  20           1HE      LYS  20  -2.063  -4.127   8.234
  124    HE3  LYS  20           2HE      LYS  20  -1.030  -4.179   9.662
  125    HZ1  LYS  20           3HZ      LYS  20  -3.565  -3.267   9.621
  126    HZ2  LYS  20           1HZ      LYS  20  -2.684  -1.827   9.500
  127    HZ3  LYS  20           2HZ      LYS  20  -2.417  -2.874  10.801
  128    H    THR  21           H        THR  21  -2.876  -4.391   5.727
  129    HA   THR  21           HA       THR  21  -4.189  -4.025   3.161
  130    HB   THR  21           HB       THR  21  -5.474  -6.108   3.303
  131    HG1  THR  21           HG1      THR  21  -5.382  -7.301   5.046
  132   HG21  THR  21          3HG2      THR  21  -3.573  -6.233   1.889
  133   HG22  THR  21          1HG2      THR  21  -3.563  -7.709   2.854
  134   HG23  THR  21          2HG2      THR  21  -2.474  -6.382   3.260
  135    H    PHE  22           H        PHE  22  -6.340  -3.415   3.329
  136    HA   PHE  22           HA       PHE  22  -7.538  -3.310   5.995
  137    HB2  PHE  22           1HB      PHE  22  -7.470  -0.866   4.226
  138    HB3  PHE  22           2HB      PHE  22  -8.015  -0.976   5.897
  139    HD1  PHE  22           HD2      PHE  22  -4.972  -1.467   3.808
  140    HD2  PHE  22           HD1      PHE  22  -6.579  -0.371   7.594
  141    HE1  PHE  22           HE2      PHE  22  -2.721  -0.838   4.577
  142    HE2  PHE  22           HE1      PHE  22  -4.331   0.261   8.369
  143    HZ   PHE  22           HZ       PHE  22  -2.398   0.026   6.861
  144    H    SER  23           H        SER  23  -9.713  -3.563   6.003
  145    HA   SER  23           HA       SER  23 -11.031  -4.707   3.868
  146    HB2  SER  23           1HB      SER  23 -13.103  -4.329   5.107
  147    HB3  SER  23           2HB      SER  23 -11.817  -4.810   6.214
  148    HG   SER  23           HG       SER  23 -12.918  -3.051   7.073
  149    H    HIS  24           H        HIS  24 -11.382  -1.346   5.009
  150    HA   HIS  24           HA       HIS  24 -12.544  -0.651   2.402
  151    HB2  HIS  24           1HB      HIS  24 -12.784   0.503   5.148
  152    HB3  HIS  24           2HB      HIS  24 -13.012   1.565   3.762
  153    HD1  HIS  24           HD1      HIS  24 -14.425  -1.660   5.177
  154    HD2  HIS  24           HD2      HIS  24 -15.509   1.484   2.688
  155    HE1  HIS  24           HE1      HIS  24 -16.859  -2.022   4.659
  156    H    SER  25           H        SER  25 -11.918   1.425   1.447
  157    HA   SER  25           HA       SER  25  -9.105   1.647   1.223
  158    HB2  SER  25           1HB      SER  25  -9.527   3.424  -0.338
  159    HB3  SER  25           2HB      SER  25 -10.780   2.206  -0.577
  160    HG   SER  25           HG       SER  25 -11.289   4.638  -0.299
  161    H    ALA  26           H        ALA  26 -11.526   3.892   2.567
  162    HA   ALA  26           HA       ALA  26 -10.099   5.984   3.409
  163    HB1  ALA  26           3HB      ALA  26 -12.529   5.427   3.922
  164    HB2  ALA  26           1HB      ALA  26 -11.921   4.611   5.363
  165    HB3  ALA  26           2HB      ALA  26 -11.643   6.339   5.144
  166    H    HIS  27           H        HIS  27 -10.034   2.800   4.941
  167    HA   HIS  27           HA       HIS  27  -8.406   3.512   7.135
  168    HB2  HIS  27           1HB      HIS  27  -8.820   0.850   5.762
  169    HB3  HIS  27           2HB      HIS  27  -7.946   1.054   7.278
  170    HD1  HIS  27           HD1      HIS  27 -11.046  -0.083   6.248
  171    HD2  HIS  27           HD2      HIS  27  -9.891   2.700   9.108
  172    HE1  HIS  27           HE1      HIS  27 -12.987   0.093   7.837
  173    H    LEU  28           H        LEU  28  -7.633   2.170   3.942
  174    HA   LEU  28           HA       LEU  28  -4.856   1.931   4.363
  175    HB2  LEU  28           1HB      LEU  28  -5.816   0.728   2.571
  176    HB3  LEU  28           2HB      LEU  28  -6.536   2.182   1.885
  177    HG   LEU  28           HG       LEU  28  -4.306   2.979   1.248
  178   HD11  LEU  28          1HD1      LEU  28  -3.389   1.214   3.149
  179   HD12  LEU  28          2HD1      LEU  28  -2.402   2.077   1.971
  180   HD13  LEU  28          3HD1      LEU  28  -2.950   0.436   1.628
  181   HD21  LEU  28          3HD2      LEU  28  -4.501   0.184   0.212
  182   HD22  LEU  28          1HD2      LEU  28  -4.134   1.679  -0.649
  183   HD23  LEU  28          2HD2      LEU  28  -5.786   1.342  -0.133
  184    H    SER  29           H        SER  29  -6.587   4.357   2.397
  185    HA   SER  29           HA       SER  29  -4.543   6.062   1.829
  186    HB2  SER  29           1HB      SER  29  -6.759   6.446   0.943
  187    HB3  SER  29           2HB      SER  29  -7.394   6.774   2.555
  188    HG   SER  29           HG       SER  29  -6.461   8.709   2.552
  189    H    LYS  30           H        LYS  30  -6.403   5.930   4.833
  190    HA   LYS  30           HA       LYS  30  -5.179   8.179   6.047
  191    HB2  LYS  30           1HB      LYS  30  -7.353   6.798   6.662
  192    HB3  LYS  30           2HB      LYS  30  -6.231   5.923   7.696
  193    HG2  LYS  30           1HG      LYS  30  -5.685   7.902   8.907
  194    HG3  LYS  30           2HG      LYS  30  -6.573   8.911   7.763
  195    HD2  LYS  30           1HD      LYS  30  -8.594   7.404   8.445
  196    HD3  LYS  30           2HD      LYS  30  -7.610   7.063   9.870
  197    HE2  LYS  30           1HE      LYS  30  -8.769   8.882  10.622
  198    HE3  LYS  30           2HE      LYS  30  -7.373   9.689   9.909
  199    HZ1  LYS  30           3HZ      LYS  30  -9.267   9.345   7.895
  200    HZ2  LYS  30           1HZ      LYS  30  -8.753  10.794   8.601
  201    HZ3  LYS  30           2HZ      LYS  30 -10.086   9.970   9.237
  202    H    HIS  31           H        HIS  31  -4.559   4.691   6.268
  203    HA   HIS  31           HA       HIS  31  -2.422   4.924   8.124
  204    HB2  HIS  31           1HB      HIS  31  -3.328   2.793   8.102
  205    HB3  HIS  31           2HB      HIS  31  -3.466   2.755   6.347
  206    HD1  HIS  31           HD1      HIS  31  -1.067   2.102   9.134
  207    HD2  HIS  31           HD2      HIS  31  -1.177   1.882   4.986
  208    HE1  HIS  31           HE1      HIS  31   0.982   0.802   8.475
  209    H    GLN  32           H        GLN  32  -2.658   5.622   4.824
  210    HA   GLN  32           HA       GLN  32   0.063   5.027   4.115
  211    HB2  GLN  32           1HB      GLN  32  -2.164   6.525   2.752
  212    HB3  GLN  32           2HB      GLN  32  -0.541   6.464   2.078
  213    HG2  GLN  32           1HG      GLN  32  -0.806   3.900   2.315
  214    HG3  GLN  32           2HG      GLN  32  -2.528   4.262   2.421
  215   HE21  GLN  32          1HE2      GLN  32   0.102   3.772   0.373
  216   HE22  GLN  32          2HE2      GLN  32  -0.650   4.226  -1.114
  217    H    LEU  33           H        LEU  33  -1.717   7.807   5.278
  218    HA   LEU  33           HA       LEU  33   0.148   9.814   4.698
  219    HB2  LEU  33           1HB      LEU  33  -1.784   9.607   7.003
  220    HB3  LEU  33           2HB      LEU  33  -0.932  11.074   6.524
  221    HG   LEU  33           HG       LEU  33  -2.822   9.629   4.682
  222   HD11  LEU  33          1HD1      LEU  33  -3.668  12.077   6.130
  223   HD12  LEU  33          2HD1      LEU  33  -3.725  10.543   6.997
  224   HD13  LEU  33          3HD1      LEU  33  -4.631  10.741   5.497
  225   HD21  LEU  33          3HD2      LEU  33  -1.020  11.743   4.331
  226   HD22  LEU  33          1HD2      LEU  33  -2.620  12.481   4.397
  227   HD23  LEU  33          2HD2      LEU  33  -2.283  11.211   3.220
  228    H    ILE  34           H        ILE  34   0.246   7.261   6.974
  229    HA   ILE  34           HA       ILE  34   2.016   8.482   8.856
  230    HB   ILE  34           HB       ILE  34   2.075   6.456   9.967
  231   HG12  ILE  34          1HG1      ILE  34   1.740   5.195   7.252
  232   HG13  ILE  34          2HG1      ILE  34   3.076   5.016   8.384
  233   HG21  ILE  34          1HG2      ILE  34  -0.453   6.049   8.396
  234   HG22  ILE  34          2HG2      ILE  34  -0.141   5.679  10.091
  235   HG23  ILE  34          3HG2      ILE  34  -0.266   7.357   9.564
  236   HD11  ILE  34          3HD1      ILE  34   0.291   3.954   8.799
  237   HD12  ILE  34          1HD1      ILE  34   1.681   3.012   8.258
  238   HD13  ILE  34          2HD1      ILE  34   1.672   3.724   9.872
  239    H    HIS  35           H        HIS  35   2.401   6.787   5.847
  240    HA   HIS  35           HA       HIS  35   5.198   6.226   6.207
  241    HB2  HIS  35           1HB      HIS  35   3.301   6.031   3.879
  242    HB3  HIS  35           2HB      HIS  35   5.032   5.786   3.666
  243    HD1  HIS  35           HD1      HIS  35   5.978   3.916   5.582
  244    HD2  HIS  35           HD2      HIS  35   2.033   3.695   4.300
  245    HE1  HIS  35           HE1      HIS  35   5.232   1.572   6.105
  246    H    ALA  36           H        ALA  36   3.272   8.765   4.750
  247    HA   ALA  36           HA       ALA  36   5.621  10.069   3.630
  248    HB1  ALA  36           3HB      ALA  36   2.929  10.012   2.929
  249    HB2  ALA  36           1HB      ALA  36   3.204  11.646   3.532
  250    HB3  ALA  36           2HB      ALA  36   4.191  11.015   2.214
  251    H    GLY  37           H        GLY  37   6.200  12.253   4.160
  252    HA2  GLY  37           1HA      GLY  37   5.125  13.797   6.204
  253    HA3  GLY  37           2HA      GLY  37   6.298  12.726   6.956
  254    H    GLU  38           H        GLU  38   5.828  15.616   5.245
  255    HA   GLU  38           HA       GLU  38   8.677  15.850   4.590
  256    HB2  GLU  38           1HB      GLU  38   6.347  17.616   3.820
  257    HB3  GLU  38           2HB      GLU  38   8.012  17.850   3.306
  258    HG2  GLU  38           1HG      GLU  38   7.963  16.077   1.857
  259    HG3  GLU  38           2HG      GLU  38   6.688  15.245   2.746
  260    H    ASN  39           H        ASN  39   9.824  16.527   6.292
  261    HA   ASN  39           HA       ASN  39   8.941  18.981   7.642
  262    HB2  ASN  39           1HB      ASN  39   9.880  18.018   9.785
  263    HB3  ASN  39           2HB      ASN  39   8.387  17.277   9.217
  264   HD21  ASN  39          1HD2      ASN  39   8.821  15.405  10.396
  265   HD22  ASN  39          2HD2      ASN  39  10.008  14.260   9.882
  266    HA   PRO  40           HA       PRO  40  13.025  20.393   6.824
  267    HB2  PRO  40           1HB      PRO  40  13.256  22.271   8.770
  268    HB3  PRO  40           2HB      PRO  40  12.247  22.493   7.336
  269    HG2  PRO  40           1HG      PRO  40  11.453  21.667  10.102
  270    HG3  PRO  40           2HG      PRO  40  10.657  22.809   9.004
  271    HD2  PRO  40           1HD      PRO  40   9.791  20.266   9.338
  272    HD3  PRO  40           2HD      PRO  40   9.637  21.132   7.796
  273    H    SER  41           H        SER  41  14.375  18.672   7.299
  274    HA   SER  41           HA       SER  41  15.591  18.745   9.967
  275    HB2  SER  41           1HB      SER  41  15.520  16.399  10.251
  276    HB3  SER  41           2HB      SER  41  13.903  16.830   9.696
  277    HG   SER  41           HG       SER  41  15.055  16.387   7.503
  278    H    GLY  42           H        GLY  42  17.750  17.794  10.040
  279    HA2  GLY  42           1HA      GLY  42  19.909  17.776   9.249
  280    HA3  GLY  42           2HA      GLY  42  19.229  16.833   7.932
  281    HA   PRO  43           HA       PRO  43  19.394  21.513   6.603
  282    HB2  PRO  43           1HB      PRO  43  21.223  22.992   7.959
  283    HB3  PRO  43           2HB      PRO  43  19.529  22.872   8.451
  284    HG2  PRO  43           1HG      PRO  43  21.917  21.413   9.513
  285    HG3  PRO  43           2HG      PRO  43  20.569  22.147  10.400
  286    HD2  PRO  43           1HD      PRO  43  20.716  19.488   9.912
  287    HD3  PRO  43           2HD      PRO  43  19.171  20.358  10.007
  288    H    SER  44           H        SER  44  21.963  19.409   7.452
  289    HA   SER  44           HA       SER  44  24.195  20.442   6.255
  290    HB2  SER  44           1HB      SER  44  23.977  18.215   7.445
  291    HB3  SER  44           2HB      SER  44  23.356  17.556   5.932
  292    HG   SER  44           HG       SER  44  25.930  18.271   6.630
  293    H    SER  45           H        SER  45  23.676  21.711   4.464
  294    HA   SER  45           HA       SER  45  23.722  20.348   1.958
  295    HB2  SER  45           1HB      SER  45  21.160  21.571   2.919
  296    HB3  SER  45           2HB      SER  45  21.557  21.629   1.202
  297    HG   SER  45           HG       SER  45  20.401  19.760   1.594
  298    H    GLY  46           H        GLY  46  24.161  21.741   0.199
  299    HA2  GLY  46           1HA      GLY  46  24.836  23.692  -0.840
  300    HA3  GLY  46           2HA      GLY  46  24.214  24.591   0.536
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1  -4.445 -29.360  15.329
    2    HA2  GLY   1           1HA      GLY   1  -2.810 -28.132  16.691
    3    HA3  GLY   1           2HA      GLY   1  -2.037 -29.518  15.937
    4    H    SER   2           H        SER   2  -1.634 -28.756  13.386
    5    HA   SER   2           HA       SER   2   0.634 -27.107  13.567
    6    HB2  SER   2           1HB      SER   2   0.786 -27.306  11.175
    7    HB3  SER   2           2HB      SER   2   0.200 -28.848  11.799
    8    HG   SER   2           HG       SER   2  -1.456 -26.789  10.762
    9    H    SER   3           H        SER   3   0.954 -24.973  13.307
   10    HA   SER   3           HA       SER   3  -1.282 -23.320  12.360
   11    HB2  SER   3           1HB      SER   3  -1.083 -23.395  14.914
   12    HB3  SER   3           2HB      SER   3   0.422 -22.499  14.710
   13    HG   SER   3           HG       SER   3  -0.904 -20.853  14.773
   14    H    GLY   4           H        GLY   4  -0.553 -22.383  10.566
   15    HA2  GLY   4           1HA      GLY   4   1.921 -20.847  10.692
   16    HA3  GLY   4           2HA      GLY   4   1.867 -22.131   9.493
   17    H    SER   5           H        SER   5  -0.765 -19.994  10.505
   18    HA   SER   5           HA       SER   5  -1.412 -19.399   7.780
   19    HB2  SER   5           1HB      SER   5  -2.498 -18.292  10.379
   20    HB3  SER   5           2HB      SER   5  -3.165 -17.933   8.787
   21    HG   SER   5           HG       SER   5  -3.557 -20.183   8.545
   22    H    SER   6           H        SER   6  -0.100 -18.106   6.656
   23    HA   SER   6           HA       SER   6   0.584 -15.496   7.827
   24    HB2  SER   6           1HB      SER   6   2.520 -17.208   7.716
   25    HB3  SER   6           2HB      SER   6   2.471 -16.936   5.974
   26    HG   SER   6           HG       SER   6   2.483 -14.563   6.882
   27    H    GLY   7           H        GLY   7  -0.996 -14.398   6.707
   28    HA2  GLY   7           1HA      GLY   7  -1.524 -13.012   4.898
   29    HA3  GLY   7           2HA      GLY   7  -0.420 -13.940   3.894
   30    H    THR   8           H        THR   8  -3.306 -14.779   5.811
   31    HA   THR   8           HA       THR   8  -4.266 -16.398   3.584
   32    HB   THR   8           HB       THR   8  -4.336 -17.424   5.791
   33    HG1  THR   8           HG1      THR   8  -5.987 -18.175   4.565
   34   HG21  THR   8          3HG2      THR   8  -6.191 -15.155   6.525
   35   HG22  THR   8          1HG2      THR   8  -4.566 -15.416   7.156
   36   HG23  THR   8          2HG2      THR   8  -5.852 -16.564   7.530
   37    H    LYS   9           H        LYS   9  -5.309 -13.657   5.573
   38    HA   LYS   9           HA       LYS   9  -7.789 -13.301   4.214
   39    HB2  LYS   9           1HB      LYS   9  -7.325 -12.506   6.534
   40    HB3  LYS   9           2HB      LYS   9  -6.247 -11.290   5.862
   41    HG2  LYS   9           1HG      LYS   9  -8.215 -10.124   6.206
   42    HG3  LYS   9           2HG      LYS   9  -8.295 -10.542   4.493
   43    HD2  LYS   9           1HD      LYS   9 -10.432 -11.030   5.347
   44    HD3  LYS   9           2HD      LYS   9  -9.620 -12.592   5.218
   45    HE2  LYS   9           1HE      LYS   9  -8.997 -12.347   7.641
   46    HE3  LYS   9           2HE      LYS   9 -10.059 -10.941   7.699
   47    HZ1  LYS   9           3HZ      LYS   9 -10.863 -13.413   8.249
   48    HZ2  LYS   9           1HZ      LYS   9 -11.225 -13.360   6.597
   49    HZ3  LYS   9           2HZ      LYS   9 -11.895 -12.216   7.647
   50    H    GLU  10           H        GLU  10  -8.303 -12.062   2.488
   51    HA   GLU  10           HA       GLU  10  -6.142 -10.479   1.261
   52    HB2  GLU  10           1HB      GLU  10  -7.165 -11.119  -0.958
   53    HB3  GLU  10           2HB      GLU  10  -6.348 -12.417  -0.098
   54    HG2  GLU  10           1HG      GLU  10  -8.229 -13.517  -0.707
   55    HG3  GLU  10           2HG      GLU  10  -8.785 -12.850   0.827
   56    H    HIS  11           H        HIS  11  -6.712  -8.421   1.563
   57    HA   HIS  11           HA       HIS  11  -9.529  -7.656   1.310
   58    HB2  HIS  11           1HB      HIS  11  -7.132  -6.200   2.435
   59    HB3  HIS  11           2HB      HIS  11  -8.719  -5.459   2.251
   60    HD1  HIS  11           HD1      HIS  11  -8.180  -5.289   4.985
   61    HD2  HIS  11           HD2      HIS  11  -9.311  -8.968   3.421
   62    HE1  HIS  11           HE1      HIS  11  -8.984  -6.637   6.950
   63    HA   PRO  12           HA       PRO  12  -9.022  -5.742  -2.607
   64    HB2  PRO  12           1HB      PRO  12 -10.751  -3.659  -2.400
   65    HB3  PRO  12           2HB      PRO  12 -11.283  -5.336  -2.566
   66    HG2  PRO  12           1HG      PRO  12 -11.069  -3.652  -0.101
   67    HG3  PRO  12           2HG      PRO  12 -12.363  -4.761  -0.588
   68    HD2  PRO  12           1HD      PRO  12 -10.464  -5.442   1.218
   69    HD3  PRO  12           2HD      PRO  12 -11.205  -6.624   0.119
   70    H    PHE  13           H        PHE  13  -8.011  -4.266   0.238
   71    HA   PHE  13           HA       PHE  13  -6.592  -2.194  -1.291
   72    HB2  PHE  13           1HB      PHE  13  -7.713  -1.788   1.487
   73    HB3  PHE  13           2HB      PHE  13  -6.903  -0.588   0.486
   74    HD1  PHE  13           HD2      PHE  13  -8.025   0.266  -1.558
   75    HD2  PHE  13           HD1      PHE  13 -10.017  -2.241   1.245
   76    HE1  PHE  13           HE2      PHE  13 -10.195   0.954  -2.490
   77    HE2  PHE  13           HE1      PHE  13 -12.191  -1.558   0.317
   78    HZ   PHE  13           HZ       PHE  13 -12.282   0.043  -1.552
   79    H    LYS  14           H        LYS  14  -4.472  -2.422  -1.116
   80    HA   LYS  14           HA       LYS  14  -3.350  -3.443   1.402
   81    HB2  LYS  14           1HB      LYS  14  -3.471  -5.222  -0.396
   82    HB3  LYS  14           2HB      LYS  14  -2.328  -4.256  -1.320
   83    HG2  LYS  14           1HG      LYS  14  -0.952  -4.402   0.939
   84    HG3  LYS  14           2HG      LYS  14  -1.910  -5.873   1.128
   85    HD2  LYS  14           1HD      LYS  14  -0.079  -6.685  -0.002
   86    HD3  LYS  14           2HD      LYS  14  -1.159  -6.310  -1.346
   87    HE2  LYS  14           1HE      LYS  14   0.765  -4.249  -0.351
   88    HE3  LYS  14           2HE      LYS  14   1.329  -5.536  -1.415
   89    HZ1  LYS  14           3HZ      LYS  14   0.717  -4.063  -2.988
   90    HZ2  LYS  14           1HZ      LYS  14  -0.404  -3.274  -1.996
   91    HZ3  LYS  14           2HZ      LYS  14  -0.817  -4.734  -2.744
   92    H    CYS  15           H        CYS  15  -1.765  -2.216   2.185
   93    HA   CYS  15           HA       CYS  15  -0.954   0.160   0.869
   94    HB2  CYS  15           1HB      CYS  15  -1.073  -0.071   3.332
   95    HB3  CYS  15           2HB      CYS  15   0.287  -1.188   3.277
   96    H    ASN  16           H        ASN  16   0.424   0.291  -0.765
   97    HA   ASN  16           HA       ASN  16   2.249  -1.833  -1.390
   98    HB2  ASN  16           1HB      ASN  16   1.016  -0.325  -3.055
   99    HB3  ASN  16           2HB      ASN  16   2.222   0.898  -2.665
  100   HD21  ASN  16          1HD2      ASN  16   1.894  -2.451  -3.745
  101   HD22  ASN  16          2HD2      ASN  16   3.294  -2.446  -4.758
  102    H    GLU  17           H        GLU  17   2.377   0.847   0.641
  103    HA   GLU  17           HA       GLU  17   5.149   1.496   0.337
  104    HB2  GLU  17           1HB      GLU  17   3.389   2.067   2.722
  105    HB3  GLU  17           2HB      GLU  17   4.859   2.910   2.255
  106    HG2  GLU  17           1HG      GLU  17   3.615   3.532   0.117
  107    HG3  GLU  17           2HG      GLU  17   2.160   3.005   0.961
  108    H    CYS  18           H        CYS  18   3.268  -0.534   2.531
  109    HA   CYS  18           HA       CYS  18   5.797  -1.701   3.491
  110    HB2  CYS  18           1HB      CYS  18   4.705  -2.098   5.669
  111    HB3  CYS  18           2HB      CYS  18   4.797  -0.383   5.281
  112    H    GLY  19           H        GLY  19   2.365  -2.234   2.819
  113    HA2  GLY  19           1HA      GLY  19   1.937  -4.257   1.427
  114    HA3  GLY  19           2HA      GLY  19   2.962  -5.118   2.566
  115    H    LYS  20           H        LYS  20   1.063  -2.789   4.093
  116    HA   LYS  20           HA       LYS  20  -0.391  -4.704   5.575
  117    HB2  LYS  20           1HB      LYS  20  -0.353  -1.737   5.377
  118    HB3  LYS  20           2HB      LYS  20  -1.771  -2.477   6.107
  119    HG2  LYS  20           1HG      LYS  20   0.079  -3.788   7.477
  120    HG3  LYS  20           2HG      LYS  20   1.023  -2.348   7.085
  121    HD2  LYS  20           1HD      LYS  20  -0.459  -0.931   8.219
  122    HD3  LYS  20           2HD      LYS  20  -1.741  -2.143   8.240
  123    HE2  LYS  20           1HE      LYS  20  -0.221  -3.529   9.714
  124    HE3  LYS  20           2HE      LYS  20   0.800  -2.098   9.852
  125    HZ1  LYS  20           3HZ      LYS  20  -1.978  -2.458  10.801
  126    HZ2  LYS  20           1HZ      LYS  20  -1.286  -0.924  10.625
  127    HZ3  LYS  20           2HZ      LYS  20  -0.607  -2.039  11.700
  128    H    THR  21           H        THR  21  -2.854  -4.504   5.804
  129    HA   THR  21           HA       THR  21  -4.170  -4.106   3.216
  130    HB   THR  21           HB       THR  21  -5.334  -6.221   3.320
  131    HG1  THR  21           HG1      THR  21  -4.362  -7.724   5.046
  132   HG21  THR  21          3HG2      THR  21  -3.610  -7.032   2.166
  133   HG22  THR  21          1HG2      THR  21  -2.899  -7.584   3.682
  134   HG23  THR  21          2HG2      THR  21  -2.486  -5.993   3.041
  135    H    PHE  22           H        PHE  22  -6.273  -3.429   3.339
  136    HA   PHE  22           HA       PHE  22  -7.567  -3.363   5.964
  137    HB2  PHE  22           1HB      PHE  22  -7.477  -0.914   4.205
  138    HB3  PHE  22           2HB      PHE  22  -8.049  -1.034   5.866
  139    HD1  PHE  22           HD2      PHE  22  -4.969  -1.471   3.822
  140    HD2  PHE  22           HD1      PHE  22  -6.645  -0.441   7.597
  141    HE1  PHE  22           HE2      PHE  22  -2.738  -0.825   4.633
  142    HE2  PHE  22           HE1      PHE  22  -4.417   0.208   8.413
  143    HZ   PHE  22           HZ       PHE  22  -2.459   0.015   6.931
  144    H    SER  23           H        SER  23  -9.690  -3.789   5.884
  145    HA   SER  23           HA       SER  23 -10.914  -4.817   3.624
  146    HB2  SER  23           1HB      SER  23 -11.620  -5.011   6.094
  147    HB3  SER  23           2HB      SER  23 -12.486  -3.497   5.831
  148    HG   SER  23           HG       SER  23 -13.934  -5.069   5.365
  149    H    HIS  24           H        HIS  24 -11.219  -1.559   5.007
  150    HA   HIS  24           HA       HIS  24 -12.622  -0.702   2.573
  151    HB2  HIS  24           1HB      HIS  24 -12.599   0.242   5.395
  152    HB3  HIS  24           2HB      HIS  24 -12.834   1.453   4.139
  153    HD1  HIS  24           HD1      HIS  24 -14.849  -0.161   6.344
  154    HD2  HIS  24           HD2      HIS  24 -14.917  -0.015   2.192
  155    HE1  HIS  24           HE1      HIS  24 -17.209  -0.734   5.690
  156    H    SER  25           H        SER  25 -12.056   1.434   1.691
  157    HA   SER  25           HA       SER  25  -9.238   1.623   1.268
  158    HB2  SER  25           1HB      SER  25 -10.935   2.132  -0.487
  159    HB3  SER  25           2HB      SER  25 -11.402   3.567   0.426
  160    HG   SER  25           HG       SER  25  -8.701   3.234  -0.195
  161    H    ALA  26           H        ALA  26 -11.619   3.872   2.679
  162    HA   ALA  26           HA       ALA  26 -10.190   5.989   3.432
  163    HB1  ALA  26           3HB      ALA  26 -12.541   4.774   4.368
  164    HB2  ALA  26           1HB      ALA  26 -11.573   5.144   5.796
  165    HB3  ALA  26           2HB      ALA  26 -11.989   6.424   4.655
  166    H    HIS  27           H        HIS  27 -10.020   2.841   5.044
  167    HA   HIS  27           HA       HIS  27  -8.282   3.606   7.122
  168    HB2  HIS  27           1HB      HIS  27  -8.594   0.894   5.818
  169    HB3  HIS  27           2HB      HIS  27  -7.832   1.202   7.376
  170    HD1  HIS  27           HD1      HIS  27 -10.828  -0.079   6.152
  171    HD2  HIS  27           HD2      HIS  27  -9.943   2.759   9.055
  172    HE1  HIS  27           HE1      HIS  27 -12.868   0.043   7.618
  173    H    LEU  28           H        LEU  28  -7.601   2.046   3.994
  174    HA   LEU  28           HA       LEU  28  -4.830   1.901   4.245
  175    HB2  LEU  28           1HB      LEU  28  -5.850   0.696   2.498
  176    HB3  LEU  28           2HB      LEU  28  -6.635   2.138   1.857
  177    HG   LEU  28           HG       LEU  28  -4.462   2.978   1.097
  178   HD11  LEU  28          1HD1      LEU  28  -3.423   0.373   2.197
  179   HD12  LEU  28          2HD1      LEU  28  -2.999   1.999   2.729
  180   HD13  LEU  28          3HD1      LEU  28  -2.517   1.443   1.127
  181   HD21  LEU  28          3HD2      LEU  28  -5.992   1.240  -0.161
  182   HD22  LEU  28          1HD2      LEU  28  -4.583   0.198   0.042
  183   HD23  LEU  28          2HD2      LEU  28  -4.430   1.730  -0.819
  184    H    SER  29           H        SER  29  -6.686   4.353   2.432
  185    HA   SER  29           HA       SER  29  -4.649   6.053   1.756
  186    HB2  SER  29           1HB      SER  29  -6.291   7.794   1.537
  187    HB3  SER  29           2HB      SER  29  -7.072   6.273   1.104
  188    HG   SER  29           HG       SER  29  -7.525   7.955   3.254
  189    H    LYS  30           H        LYS  30  -6.385   5.890   4.829
  190    HA   LYS  30           HA       LYS  30  -5.116   8.148   5.997
  191    HB2  LYS  30           1HB      LYS  30  -7.294   6.970   6.710
  192    HB3  LYS  30           2HB      LYS  30  -6.248   5.834   7.553
  193    HG2  LYS  30           1HG      LYS  30  -5.418   7.517   8.989
  194    HG3  LYS  30           2HG      LYS  30  -6.129   8.802   8.009
  195    HD2  LYS  30           1HD      LYS  30  -7.667   8.680   9.704
  196    HD3  LYS  30           2HD      LYS  30  -8.368   7.531   8.562
  197    HE2  LYS  30           1HE      LYS  30  -8.443   6.298  10.491
  198    HE3  LYS  30           2HE      LYS  30  -6.867   5.815   9.866
  199    HZ1  LYS  30           3HZ      LYS  30  -5.786   6.886  11.511
  200    HZ2  LYS  30           1HZ      LYS  30  -7.244   6.673  12.343
  201    HZ3  LYS  30           2HZ      LYS  30  -6.905   8.152  11.597
  202    H    HIS  31           H        HIS  31  -4.526   4.654   6.207
  203    HA   HIS  31           HA       HIS  31  -2.372   4.814   8.023
  204    HB2  HIS  31           1HB      HIS  31  -3.250   2.677   7.883
  205    HB3  HIS  31           2HB      HIS  31  -3.392   2.736   6.129
  206    HD1  HIS  31           HD1      HIS  31  -0.952   1.999   8.869
  207    HD2  HIS  31           HD2      HIS  31  -1.123   1.921   4.718
  208    HE1  HIS  31           HE1      HIS  31   1.102   0.749   8.135
  209    H    GLN  32           H        GLN  32  -2.609   5.698   4.770
  210    HA   GLN  32           HA       GLN  32   0.126   5.178   4.045
  211    HB2  GLN  32           1HB      GLN  32  -2.133   6.677   2.739
  212    HB3  GLN  32           2HB      GLN  32  -0.504   6.707   2.076
  213    HG2  GLN  32           1HG      GLN  32  -0.747   4.091   2.269
  214    HG3  GLN  32           2HG      GLN  32  -2.464   4.483   2.200
  215   HE21  GLN  32          1HE2      GLN  32  -0.475   3.191   0.310
  216   HE22  GLN  32          2HE2      GLN  32  -0.729   4.014  -1.188
  217    H    LEU  33           H        LEU  33  -1.721   7.873   5.306
  218    HA   LEU  33           HA       LEU  33   0.123   9.931   4.837
  219    HB2  LEU  33           1HB      LEU  33  -1.787   9.654   7.152
  220    HB3  LEU  33           2HB      LEU  33  -1.033  11.146   6.595
  221    HG   LEU  33           HG       LEU  33  -2.807   9.580   4.761
  222   HD11  LEU  33          1HD1      LEU  33  -4.676  11.050   5.549
  223   HD12  LEU  33          2HD1      LEU  33  -3.675  11.467   6.940
  224   HD13  LEU  33          3HD1      LEU  33  -4.183   9.797   6.689
  225   HD21  LEU  33          3HD2      LEU  33  -1.869  12.420   5.007
  226   HD22  LEU  33          1HD2      LEU  33  -3.276  11.991   4.034
  227   HD23  LEU  33          2HD2      LEU  33  -1.697  11.308   3.648
  228    H    ILE  34           H        ILE  34   0.237   7.281   6.986
  229    HA   ILE  34           HA       ILE  34   1.946   8.461   8.958
  230    HB   ILE  34           HB       ILE  34   2.007   6.398   9.999
  231   HG12  ILE  34          1HG1      ILE  34   1.748   5.236   7.234
  232   HG13  ILE  34          2HG1      ILE  34   3.049   5.015   8.399
  233   HG21  ILE  34          1HG2      ILE  34  -0.195   5.669  10.121
  234   HG22  ILE  34          2HG2      ILE  34  -0.352   7.308   9.490
  235   HG23  ILE  34          3HG2      ILE  34  -0.480   5.927   8.400
  236   HD11  ILE  34          3HD1      ILE  34   1.408   3.781   9.837
  237   HD12  ILE  34          1HD1      ILE  34   0.289   3.836   8.475
  238   HD13  ILE  34          2HD1      ILE  34   1.831   2.994   8.317
  239    H    HIS  35           H        HIS  35   2.406   6.762   5.941
  240    HA   HIS  35           HA       HIS  35   5.189   6.232   6.314
  241    HB2  HIS  35           1HB      HIS  35   3.328   6.147   3.958
  242    HB3  HIS  35           2HB      HIS  35   5.064   5.957   3.733
  243    HD1  HIS  35           HD1      HIS  35   6.063   3.996   5.517
  244    HD2  HIS  35           HD2      HIS  35   2.110   3.764   4.257
  245    HE1  HIS  35           HE1      HIS  35   5.372   1.609   5.905
  246    H    ALA  36           H        ALA  36   3.316   8.884   5.030
  247    HA   ALA  36           HA       ALA  36   5.678  10.217   3.974
  248    HB1  ALA  36           3HB      ALA  36   4.229  11.175   2.596
  249    HB2  ALA  36           1HB      ALA  36   2.919  10.299   3.390
  250    HB3  ALA  36           2HB      ALA  36   3.378  11.905   3.958
  251    H    GLY  37           H        GLY  37   6.243  12.397   4.621
  252    HA2  GLY  37           1HA      GLY  37   5.855  12.765   7.512
  253    HA3  GLY  37           2HA      GLY  37   7.179  13.426   6.565
  254    H    GLU  38           H        GLU  38   3.809  13.782   7.436
  255    HA   GLU  38           HA       GLU  38   2.829  15.772   5.941
  256    HB2  GLU  38           1HB      GLU  38   2.763  15.537   8.946
  257    HB3  GLU  38           2HB      GLU  38   1.831  16.746   8.072
  258    HG2  GLU  38           1HG      GLU  38   0.635  15.008   6.884
  259    HG3  GLU  38           2HG      GLU  38   1.608  13.771   7.676
  260    H    ASN  39           H        ASN  39   4.960  16.393   8.734
  261    HA   ASN  39           HA       ASN  39   5.914  18.808   7.364
  262    HB2  ASN  39           1HB      ASN  39   4.159  19.235   9.219
  263    HB3  ASN  39           2HB      ASN  39   5.449  18.801  10.336
  264   HD21  ASN  39          1HD2      ASN  39   6.785  20.344  10.964
  265   HD22  ASN  39          2HD2      ASN  39   6.954  21.895  10.220
  266    HA   PRO  40           HA       PRO  40   9.883  17.163   8.352
  267    HB2  PRO  40           1HB      PRO  40  11.350  19.422   8.008
  268    HB3  PRO  40           2HB      PRO  40  10.682  18.495   6.659
  269    HG2  PRO  40           1HG      PRO  40   9.636  20.986   7.947
  270    HG3  PRO  40           2HG      PRO  40   9.742  20.578   6.225
  271    HD2  PRO  40           1HD      PRO  40   7.437  20.373   7.632
  272    HD3  PRO  40           2HD      PRO  40   7.834  19.286   6.285
  273    H    SER  41           H        SER  41   9.560  16.724  10.577
  274    HA   SER  41           HA       SER  41  10.793  18.718  12.342
  275    HB2  SER  41           1HB      SER  41   8.182  17.278  12.800
  276    HB3  SER  41           2HB      SER  41   9.118  17.967  14.126
  277    HG   SER  41           HG       SER  41   7.385  19.274  12.931
  278    H    GLY  42           H        GLY  42  12.658  17.727  12.828
  279    HA2  GLY  42           1HA      GLY  42  12.875  15.680  14.642
  280    HA3  GLY  42           2HA      GLY  42  12.893  14.883  13.076
  281    HA   PRO  43           HA       PRO  43  17.249  16.029  14.178
  282    HB2  PRO  43           1HB      PRO  43  18.300  13.612  13.525
  283    HB3  PRO  43           2HB      PRO  43  17.633  13.970  15.123
  284    HG2  PRO  43           1HG      PRO  43  16.369  12.533  12.821
  285    HG3  PRO  43           2HG      PRO  43  16.338  12.126  14.547
  286    HD2  PRO  43           1HD      PRO  43  14.270  13.354  13.303
  287    HD3  PRO  43           2HD      PRO  43  14.673  13.652  15.006
  288    H    SER  44           H        SER  44  19.224  15.757  12.735
  289    HA   SER  44           HA       SER  44  18.604  16.723  10.144
  290    HB2  SER  44           1HB      SER  44  20.949  16.914   9.814
  291    HB3  SER  44           2HB      SER  44  20.686  17.233  11.529
  292    HG   SER  44           HG       SER  44  22.066  15.688  11.840
  293    H    SER  45           H        SER  45  18.474  15.724   8.217
  294    HA   SER  45           HA       SER  45  19.599  13.157   7.690
  295    HB2  SER  45           1HB      SER  45  16.676  13.372   8.338
  296    HB3  SER  45           2HB      SER  45  17.235  12.171   7.174
  297    HG   SER  45           HG       SER  45  18.136  12.451   9.853
  298    H    GLY  46           H        GLY  46  19.568  12.635   5.504
  299    HA2  GLY  46           1HA      GLY  46  19.552  14.658   3.650
  300    HA3  GLY  46           2HA      GLY  46  19.309  12.966   3.241
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1  16.153 -23.759  -0.527
    2    HA2  GLY   1           1HA      GLY   1  13.689 -24.244  -1.876
    3    HA3  GLY   1           2HA      GLY   1  14.663 -25.439  -1.032
    4    H    SER   2           H        SER   2  13.186 -22.497   0.271
    5    HA   SER   2           HA       SER   2  11.399 -24.181   1.889
    6    HB2  SER   2           1HB      SER   2  11.921 -23.030   3.883
    7    HB3  SER   2           2HB      SER   2  13.486 -23.326   3.125
    8    HG   SER   2           HG       SER   2  12.972 -21.097   2.150
    9    H    SER   3           H        SER   3   9.448 -23.198   2.558
   10    HA   SER   3           HA       SER   3   8.261 -21.507   0.653
   11    HB2  SER   3           1HB      SER   3   6.301 -21.597   1.997
   12    HB3  SER   3           2HB      SER   3   7.101 -23.153   2.219
   13    HG   SER   3           HG       SER   3   7.255 -22.712   4.257
   14    H    GLY   4           H        GLY   4   8.566 -19.407   0.359
   15    HA2  GLY   4           1HA      GLY   4   8.636 -17.623   2.663
   16    HA3  GLY   4           2HA      GLY   4  10.068 -17.629   1.644
   17    H    SER   5           H        SER   5   6.631 -17.850   0.775
   18    HA   SER   5           HA       SER   5   6.954 -15.343  -0.741
   19    HB2  SER   5           1HB      SER   5   5.288 -17.733  -1.565
   20    HB3  SER   5           2HB      SER   5   5.512 -16.244  -2.484
   21    HG   SER   5           HG       SER   5   6.888 -17.944  -3.197
   22    H    SER   6           H        SER   6   6.049 -14.131   0.950
   23    HA   SER   6           HA       SER   6   3.575 -14.747   2.178
   24    HB2  SER   6           1HB      SER   6   3.704 -12.588   3.180
   25    HB3  SER   6           2HB      SER   6   5.366 -13.163   3.049
   26    HG   SER   6           HG       SER   6   4.323 -10.939   2.057
   27    H    GLY   7           H        GLY   7   1.588 -14.620   1.381
   28    HA2  GLY   7           1HA      GLY   7   0.909 -12.507  -0.512
   29    HA3  GLY   7           2HA      GLY   7   0.726 -14.158  -1.084
   30    H    THR   8           H        THR   8  -0.737 -11.604   0.559
   31    HA   THR   8           HA       THR   8  -2.956 -13.365   1.364
   32    HB   THR   8           HB       THR   8  -1.830 -12.617   3.390
   33    HG1  THR   8           HG1      THR   8  -4.317 -12.476   2.977
   34   HG21  THR   8          3HG2      THR   8  -2.521  -9.771   2.778
   35   HG22  THR   8          1HG2      THR   8  -1.012 -10.455   2.176
   36   HG23  THR   8          2HG2      THR   8  -1.332 -10.416   3.910
   37    H    LYS   9           H        LYS   9  -4.659 -12.950   0.131
   38    HA   LYS   9           HA       LYS   9  -5.099 -10.186  -0.788
   39    HB2  LYS   9           1HB      LYS   9  -4.684 -11.987  -2.527
   40    HB3  LYS   9           2HB      LYS   9  -6.226 -12.685  -2.049
   41    HG2  LYS   9           1HG      LYS   9  -7.198 -10.360  -2.551
   42    HG3  LYS   9           2HG      LYS   9  -5.685 -10.078  -3.414
   43    HD2  LYS   9           1HD      LYS   9  -7.256 -12.559  -3.962
   44    HD3  LYS   9           2HD      LYS   9  -7.768 -11.029  -4.678
   45    HE2  LYS   9           1HE      LYS   9  -6.373 -11.884  -6.309
   46    HE3  LYS   9           2HE      LYS   9  -5.281 -10.838  -5.403
   47    HZ1  LYS   9           3HZ      LYS   9  -4.210 -12.620  -4.460
   48    HZ2  LYS   9           1HZ      LYS   9  -4.569 -13.241  -5.993
   49    HZ3  LYS   9           2HZ      LYS   9  -5.518 -13.674  -4.662
   50    H    GLU  10           H        GLU  10  -5.927 -10.793   1.753
   51    HA   GLU  10           HA       GLU  10  -8.625 -11.704   1.851
   52    HB2  GLU  10           1HB      GLU  10  -6.907 -11.667   3.753
   53    HB3  GLU  10           2HB      GLU  10  -7.301  -9.961   3.919
   54    HG2  GLU  10           1HG      GLU  10  -8.502 -11.738   5.388
   55    HG3  GLU  10           2HG      GLU  10  -9.404 -10.378   4.721
   56    H    HIS  11           H        HIS  11  -7.233  -8.461   2.381
   57    HA   HIS  11           HA       HIS  11  -9.851  -7.280   1.853
   58    HB2  HIS  11           1HB      HIS  11  -7.364  -5.768   2.623
   59    HB3  HIS  11           2HB      HIS  11  -9.046  -5.302   2.860
   60    HD1  HIS  11           HD1      HIS  11  -6.987  -5.362   5.188
   61    HD2  HIS  11           HD2      HIS  11  -9.621  -8.440   4.267
   62    HE1  HIS  11           HE1      HIS  11  -7.258  -6.674   7.316
   63    HA   PRO  12           HA       PRO  12  -8.870  -6.103  -2.269
   64    HB2  PRO  12           1HB      PRO  12 -10.518  -3.961  -2.528
   65    HB3  PRO  12           2HB      PRO  12 -11.105  -5.628  -2.510
   66    HG2  PRO  12           1HG      PRO  12 -11.051  -3.615  -0.295
   67    HG3  PRO  12           2HG      PRO  12 -12.340  -4.744  -0.749
   68    HD2  PRO  12           1HD      PRO  12 -10.651  -5.215   1.314
   69    HD3  PRO  12           2HD      PRO  12 -11.335  -6.520   0.323
   70    H    PHE  13           H        PHE  13  -8.276  -4.088   0.430
   71    HA   PHE  13           HA       PHE  13  -6.696  -2.241  -1.236
   72    HB2  PHE  13           1HB      PHE  13  -7.778  -1.756   1.547
   73    HB3  PHE  13           2HB      PHE  13  -6.920  -0.592   0.542
   74    HD1  PHE  13           HD2      PHE  13  -7.997   0.133  -1.632
   75    HD2  PHE  13           HD1      PHE  13 -10.093  -1.994   1.401
   76    HE1  PHE  13           HE2      PHE  13 -10.136   0.881  -2.590
   77    HE2  PHE  13           HE1      PHE  13 -12.235  -1.251   0.447
   78    HZ   PHE  13           HZ       PHE  13 -12.259   0.190  -1.551
   79    H    LYS  14           H        LYS  14  -4.585  -2.573  -1.159
   80    HA   LYS  14           HA       LYS  14  -3.392  -3.523   1.360
   81    HB2  LYS  14           1HB      LYS  14  -3.452  -5.373  -0.235
   82    HB3  LYS  14           2HB      LYS  14  -2.648  -4.379  -1.443
   83    HG2  LYS  14           1HG      LYS  14  -0.824  -4.188   0.469
   84    HG3  LYS  14           2HG      LYS  14  -1.542  -5.727   0.953
   85    HD2  LYS  14           1HD      LYS  14  -1.265  -6.367  -1.538
   86    HD3  LYS  14           2HD      LYS  14  -0.133  -5.014  -1.595
   87    HE2  LYS  14           1HE      LYS  14   1.323  -6.019  -0.067
   88    HE3  LYS  14           2HE      LYS  14   0.092  -7.144   0.504
   89    HZ1  LYS  14           3HZ      LYS  14   0.238  -7.839  -2.055
   90    HZ2  LYS  14           1HZ      LYS  14   1.186  -8.550  -0.847
   91    HZ3  LYS  14           2HZ      LYS  14   1.830  -7.321  -1.815
   92    H    CYS  15           H        CYS  15  -1.803  -2.283   2.114
   93    HA   CYS  15           HA       CYS  15  -1.036   0.101   0.790
   94    HB2  CYS  15           1HB      CYS  15  -1.097  -0.121   3.248
   95    HB3  CYS  15           2HB      CYS  15   0.249  -1.253   3.171
   96    H    ASN  16           H        ASN  16   0.581   0.512  -0.577
   97    HA   ASN  16           HA       ASN  16   2.322  -1.684  -1.363
   98    HB2  ASN  16           1HB      ASN  16   1.513   0.924  -2.568
   99    HB3  ASN  16           2HB      ASN  16   3.053   0.225  -3.059
  100   HD21  ASN  16          1HD2      ASN  16   0.329   0.624  -4.353
  101   HD22  ASN  16          2HD2      ASN  16  -0.021  -0.916  -5.053
  102    H    GLU  17           H        GLU  17   2.418   0.955   0.720
  103    HA   GLU  17           HA       GLU  17   5.200   1.607   0.425
  104    HB2  GLU  17           1HB      GLU  17   3.488   2.230   2.823
  105    HB3  GLU  17           2HB      GLU  17   4.892   3.108   2.232
  106    HG2  GLU  17           1HG      GLU  17   3.547   3.654   0.177
  107    HG3  GLU  17           2HG      GLU  17   2.146   2.998   1.022
  108    H    CYS  18           H        CYS  18   3.285  -0.523   2.441
  109    HA   CYS  18           HA       CYS  18   5.783  -1.604   3.564
  110    HB2  CYS  18           1HB      CYS  18   4.605  -2.046   5.677
  111    HB3  CYS  18           2HB      CYS  18   4.628  -0.326   5.302
  112    H    GLY  19           H        GLY  19   2.387  -2.232   2.765
  113    HA2  GLY  19           1HA      GLY  19   2.010  -4.212   1.330
  114    HA3  GLY  19           2HA      GLY  19   3.114  -5.073   2.392
  115    H    LYS  20           H        LYS  20   0.968  -2.859   3.893
  116    HA   LYS  20           HA       LYS  20  -0.315  -4.983   5.338
  117    HB2  LYS  20           1HB      LYS  20  -0.306  -2.011   5.441
  118    HB3  LYS  20           2HB      LYS  20  -1.703  -2.833   6.122
  119    HG2  LYS  20           1HG      LYS  20   0.207  -4.261   7.298
  120    HG3  LYS  20           2HG      LYS  20   1.103  -2.759   7.057
  121    HD2  LYS  20           1HD      LYS  20   0.165  -2.296   9.082
  122    HD3  LYS  20           2HD      LYS  20  -1.136  -1.718   8.039
  123    HE2  LYS  20           1HE      LYS  20  -2.146  -4.025   8.235
  124    HE3  LYS  20           2HE      LYS  20  -0.957  -4.346   9.497
  125    HZ1  LYS  20           3HZ      LYS  20  -2.270  -3.339  10.945
  126    HZ2  LYS  20           1HZ      LYS  20  -3.417  -3.045   9.736
  127    HZ3  LYS  20           2HZ      LYS  20  -2.210  -1.903  10.054
  128    H    THR  21           H        THR  21  -2.865  -4.345   5.716
  129    HA   THR  21           HA       THR  21  -4.180  -3.954   3.147
  130    HB   THR  21           HB       THR  21  -5.588  -6.020   3.515
  131    HG1  THR  21           HG1      THR  21  -5.100  -6.566   5.614
  132   HG21  THR  21          3HG2      THR  21  -4.282  -7.105   2.041
  133   HG22  THR  21          1HG2      THR  21  -2.900  -7.123   3.136
  134   HG23  THR  21          2HG2      THR  21  -3.233  -5.693   2.159
  135    H    PHE  22           H        PHE  22  -6.434  -3.520   3.321
  136    HA   PHE  22           HA       PHE  22  -7.585  -3.274   5.977
  137    HB2  PHE  22           1HB      PHE  22  -7.563  -0.830   4.221
  138    HB3  PHE  22           2HB      PHE  22  -7.952  -0.948   5.934
  139    HD1  PHE  22           HD2      PHE  22  -5.128  -1.398   3.554
  140    HD2  PHE  22           HD1      PHE  22  -6.351  -0.415   7.511
  141    HE1  PHE  22           HE2      PHE  22  -2.811  -0.791   4.116
  142    HE2  PHE  22           HE1      PHE  22  -4.036   0.194   8.079
  143    HZ   PHE  22           HZ       PHE  22  -2.262   0.005   6.381
  144    H    SER  23           H        SER  23  -9.712  -3.672   5.954
  145    HA   SER  23           HA       SER  23 -11.034  -4.702   3.772
  146    HB2  SER  23           1HB      SER  23 -13.143  -4.258   5.059
  147    HB3  SER  23           2HB      SER  23 -11.886  -5.063   5.998
  148    HG   SER  23           HG       SER  23 -12.422  -3.472   7.324
  149    H    HIS  24           H        HIS  24 -11.388  -1.408   5.089
  150    HA   HIS  24           HA       HIS  24 -12.674  -0.596   2.581
  151    HB2  HIS  24           1HB      HIS  24 -12.740   0.412   5.381
  152    HB3  HIS  24           2HB      HIS  24 -12.941   1.591   4.089
  153    HD1  HIS  24           HD1      HIS  24 -15.001  -0.034   6.271
  154    HD2  HIS  24           HD2      HIS  24 -14.976   0.127   2.119
  155    HE1  HIS  24           HE1      HIS  24 -17.342  -0.616   5.561
  156    H    SER  25           H        SER  25 -12.012   1.341   1.511
  157    HA   SER  25           HA       SER  25  -9.219   1.568   1.205
  158    HB2  SER  25           1HB      SER  25 -10.985   2.110  -0.530
  159    HB3  SER  25           2HB      SER  25 -11.257   3.623   0.334
  160    HG   SER  25           HG       SER  25  -9.524   3.271  -1.518
  161    H    ALA  26           H        ALA  26 -11.568   3.891   2.548
  162    HA   ALA  26           HA       ALA  26 -10.098   5.976   3.308
  163    HB1  ALA  26           3HB      ALA  26 -11.745   6.491   4.759
  164    HB2  ALA  26           1HB      ALA  26 -12.539   5.095   4.029
  165    HB3  ALA  26           2HB      ALA  26 -11.679   4.921   5.559
  166    H    HIS  27           H        HIS  27  -9.982   2.816   4.873
  167    HA   HIS  27           HA       HIS  27  -8.293   3.558   7.014
  168    HB2  HIS  27           1HB      HIS  27  -8.737   0.875   5.692
  169    HB3  HIS  27           2HB      HIS  27  -7.836   1.106   7.188
  170    HD1  HIS  27           HD1      HIS  27 -10.993   0.024   6.174
  171    HD2  HIS  27           HD2      HIS  27  -9.711   2.698   9.084
  172    HE1  HIS  27           HE1      HIS  27 -12.895   0.201   7.810
  173    H    LEU  28           H        LEU  28  -7.598   2.075   3.858
  174    HA   LEU  28           HA       LEU  28  -4.834   1.827   4.163
  175    HB2  LEU  28           1HB      LEU  28  -5.815   0.692   2.363
  176    HB3  LEU  28           2HB      LEU  28  -6.609   2.149   1.767
  177    HG   LEU  28           HG       LEU  28  -4.468   3.023   1.003
  178   HD11  LEU  28          1HD1      LEU  28  -2.925   0.594   1.269
  179   HD12  LEU  28          2HD1      LEU  28  -3.380   1.250   2.841
  180   HD13  LEU  28          3HD1      LEU  28  -2.500   2.254   1.689
  181   HD21  LEU  28          3HD2      LEU  28  -5.931   1.126  -0.205
  182   HD22  LEU  28          1HD2      LEU  28  -4.383   0.287  -0.102
  183   HD23  LEU  28          2HD2      LEU  28  -4.489   1.844  -0.924
  184    H    SER  29           H        SER  29  -6.624   4.403   2.460
  185    HA   SER  29           HA       SER  29  -4.481   6.053   1.880
  186    HB2  SER  29           1HB      SER  29  -6.063   7.802   1.529
  187    HB3  SER  29           2HB      SER  29  -6.891   6.302   1.111
  188    HG   SER  29           HG       SER  29  -7.525   8.120   2.988
  189    H    LYS  30           H        LYS  30  -6.431   5.890   4.824
  190    HA   LYS  30           HA       LYS  30  -5.236   8.105   6.118
  191    HB2  LYS  30           1HB      LYS  30  -7.426   6.788   6.668
  192    HB3  LYS  30           2HB      LYS  30  -6.361   5.770   7.627
  193    HG2  LYS  30           1HG      LYS  30  -5.962   7.397   9.172
  194    HG3  LYS  30           2HG      LYS  30  -6.201   8.709   8.016
  195    HD2  LYS  30           1HD      LYS  30  -8.666   7.932   7.996
  196    HD3  LYS  30           2HD      LYS  30  -8.251   7.094   9.493
  197    HE2  LYS  30           1HE      LYS  30  -7.559   9.982   9.160
  198    HE3  LYS  30           2HE      LYS  30  -9.209   9.519   9.571
  199    HZ1  LYS  30           3HZ      LYS  30  -7.446   8.106  11.228
  200    HZ2  LYS  30           1HZ      LYS  30  -8.588   9.276  11.665
  201    HZ3  LYS  30           2HZ      LYS  30  -7.009   9.739  11.275
  202    H    HIS  31           H        HIS  31  -4.473   4.669   6.021
  203    HA   HIS  31           HA       HIS  31  -2.418   4.841   8.016
  204    HB2  HIS  31           1HB      HIS  31  -3.283   2.701   7.919
  205    HB3  HIS  31           2HB      HIS  31  -3.425   2.723   6.164
  206    HD1  HIS  31           HD1      HIS  31  -1.009   2.004   8.921
  207    HD2  HIS  31           HD2      HIS  31  -1.132   1.920   4.769
  208    HE1  HIS  31           HE1      HIS  31   1.052   0.750   8.212
  209    H    GLN  32           H        GLN  32  -2.616   5.653   4.742
  210    HA   GLN  32           HA       GLN  32   0.120   5.110   4.048
  211    HB2  GLN  32           1HB      GLN  32  -2.123   6.603   2.712
  212    HB3  GLN  32           2HB      GLN  32  -0.488   6.639   2.064
  213    HG2  GLN  32           1HG      GLN  32  -0.727   4.020   2.275
  214    HG3  GLN  32           2HG      GLN  32  -2.442   4.411   2.169
  215   HE21  GLN  32          1HE2      GLN  32  -0.362   3.136   0.333
  216   HE22  GLN  32          2HE2      GLN  32  -0.609   3.938  -1.177
  217    H    LEU  33           H        LEU  33  -1.699   7.818   5.306
  218    HA   LEU  33           HA       LEU  33   0.144   9.871   4.813
  219    HB2  LEU  33           1HB      LEU  33  -1.751   9.583   7.140
  220    HB3  LEU  33           2HB      LEU  33  -0.977  11.077   6.615
  221    HG   LEU  33           HG       LEU  33  -2.829   9.543   4.814
  222   HD11  LEU  33          1HD1      LEU  33  -4.408   9.937   6.377
  223   HD12  LEU  33          2HD1      LEU  33  -4.377  11.556   5.680
  224   HD13  LEU  33          3HD1      LEU  33  -3.477  11.216   7.157
  225   HD21  LEU  33          3HD2      LEU  33  -2.493  11.220   3.393
  226   HD22  LEU  33          1HD2      LEU  33  -1.183  11.753   4.446
  227   HD23  LEU  33          2HD2      LEU  33  -2.801  12.428   4.641
  228    H    ILE  34           H        ILE  34   0.168   7.287   7.101
  229    HA   ILE  34           HA       ILE  34   1.915   8.425   9.019
  230    HB   ILE  34           HB       ILE  34   2.002   6.353  10.024
  231   HG12  ILE  34          1HG1      ILE  34   1.736   5.166   7.259
  232   HG13  ILE  34          2HG1      ILE  34   3.140   5.108   8.319
  233   HG21  ILE  34          1HG2      ILE  34  -0.379   7.189   9.461
  234   HG22  ILE  34          2HG2      ILE  34  -0.428   5.808   8.365
  235   HG23  ILE  34          3HG2      ILE  34  -0.175   5.555  10.092
  236   HD11  ILE  34          3HD1      ILE  34   2.194   3.507   9.691
  237   HD12  ILE  34          1HD1      ILE  34   0.553   3.874   9.159
  238   HD13  ILE  34          2HD1      ILE  34   1.659   3.020   8.083
  239    H    HIS  35           H        HIS  35   2.430   6.665   6.022
  240    HA   HIS  35           HA       HIS  35   5.219   6.246   6.376
  241    HB2  HIS  35           1HB      HIS  35   3.386   6.168   3.992
  242    HB3  HIS  35           2HB      HIS  35   5.126   5.965   3.809
  243    HD1  HIS  35           HD1      HIS  35   6.139   3.923   5.348
  244    HD2  HIS  35           HD2      HIS  35   2.069   3.860   4.514
  245    HE1  HIS  35           HE1      HIS  35   5.402   1.557   5.775
  246    H    ALA  36           H        ALA  36   3.288   8.843   5.033
  247    HA   ALA  36           HA       ALA  36   5.640  10.250   4.056
  248    HB1  ALA  36           3HB      ALA  36   4.214  11.180   2.634
  249    HB2  ALA  36           1HB      ALA  36   2.917  10.227   3.356
  250    HB3  ALA  36           2HB      ALA  36   3.266  11.845   3.965
  251    H    GLY  37           H        GLY  37   5.579   9.789   6.857
  252    HA2  GLY  37           1HA      GLY  37   4.773  12.292   8.099
  253    HA3  GLY  37           2HA      GLY  37   5.462  10.895   8.914
  254    H    GLU  38           H        GLU  38   7.438  11.291   6.389
  255    HA   GLU  38           HA       GLU  38   9.397  12.714   8.000
  256    HB2  GLU  38           1HB      GLU  38  11.008  11.990   6.284
  257    HB3  GLU  38           2HB      GLU  38  10.095  10.640   6.942
  258    HG2  GLU  38           1HG      GLU  38   8.595  10.793   4.949
  259    HG3  GLU  38           2HG      GLU  38   9.715  11.977   4.278
  260    H    ASN  39           H        ASN  39   7.397  14.409   7.208
  261    HA   ASN  39           HA       ASN  39   8.814  16.139   5.300
  262    HB2  ASN  39           1HB      ASN  39   6.490  16.893   4.531
  263    HB3  ASN  39           2HB      ASN  39   7.041  15.316   3.974
  264   HD21  ASN  39          1HD2      ASN  39   4.603  15.287   3.652
  265   HD22  ASN  39          2HD2      ASN  39   3.675  14.615   4.946
  266    HA   PRO  40           HA       PRO  40   7.695  18.244   9.340
  267    HB2  PRO  40           1HB      PRO  40  10.226  19.007   9.960
  268    HB3  PRO  40           2HB      PRO  40   9.546  17.449  10.445
  269    HG2  PRO  40           1HG      PRO  40  11.356  18.095   8.150
  270    HG3  PRO  40           2HG      PRO  40  11.423  16.728   9.276
  271    HD2  PRO  40           1HD      PRO  40  10.390  16.511   6.783
  272    HD3  PRO  40           2HD      PRO  40   9.783  15.560   8.154
  273    H    SER  41           H        SER  41   8.076  20.539   9.885
  274    HA   SER  41           HA       SER  41   8.826  22.159   7.546
  275    HB2  SER  41           1HB      SER  41   6.419  22.579   9.334
  276    HB3  SER  41           2HB      SER  41   6.953  23.699   8.081
  277    HG   SER  41           HG       SER  41   5.410  22.425   7.157
  278    H    GLY  42           H        GLY  42  10.553  21.591   9.646
  279    HA2  GLY  42           1HA      GLY  42  10.673  24.202  11.025
  280    HA3  GLY  42           2HA      GLY  42  11.143  22.701  11.808
  281    HA   PRO  43           HA       PRO  43  15.282  23.237  10.483
  282    HB2  PRO  43           1HB      PRO  43  16.065  20.682  10.000
  283    HB3  PRO  43           2HB      PRO  43  15.793  21.312  11.629
  284    HG2  PRO  43           1HG      PRO  43  13.985  19.654   9.914
  285    HG3  PRO  43           2HG      PRO  43  14.334  19.502  11.646
  286    HD2  PRO  43           1HD      PRO  43  12.084  20.684  10.711
  287    HD3  PRO  43           2HD      PRO  43  12.875  21.194  12.216
  288    H    SER  44           H        SER  44  12.904  22.188   8.363
  289    HA   SER  44           HA       SER  44  14.481  21.519   6.094
  290    HB2  SER  44           1HB      SER  44  12.420  21.632   4.840
  291    HB3  SER  44           2HB      SER  44  12.078  20.880   6.398
  292    HG   SER  44           HG       SER  44  11.664  23.322   6.914
  293    H    SER  45           H        SER  45  13.812  22.934   3.987
  294    HA   SER  45           HA       SER  45  15.407  25.216   4.088
  295    HB2  SER  45           1HB      SER  45  13.256  24.436   2.108
  296    HB3  SER  45           2HB      SER  45  14.382  25.772   1.865
  297    HG   SER  45           HG       SER  45  15.264  23.141   2.407
  298    H    GLY  46           H        GLY  46  11.855  24.959   4.062
  299    HA2  GLY  46           1HA      GLY  46  11.749  27.768   4.972
  300    HA3  GLY  46           2HA      GLY  46  10.484  26.986   4.035
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1   4.052 -23.391  15.840
    2    HA2  GLY   1           1HA      GLY   1   3.969 -21.258  14.997
    3    HA3  GLY   1           2HA      GLY   1   5.631 -21.506  14.482
    4    H    SER   2           H        SER   2   2.500 -20.961  13.457
    5    HA   SER   2           HA       SER   2   3.283 -21.270  10.686
    6    HB2  SER   2           1HB      SER   2   2.363 -23.494  11.241
    7    HB3  SER   2           2HB      SER   2   0.860 -22.734  11.763
    8    HG   SER   2           HG       SER   2   0.286 -22.884   9.756
    9    H    SER   3           H        SER   3   2.417 -19.714   9.451
   10    HA   SER   3           HA       SER   3   0.079 -18.254  10.486
   11    HB2  SER   3           1HB      SER   3   1.059 -16.148   9.965
   12    HB3  SER   3           2HB      SER   3   2.295 -17.050  10.841
   13    HG   SER   3           HG       SER   3   3.435 -16.457   9.150
   14    H    GLY   4           H        GLY   4  -1.530 -18.061   9.069
   15    HA2  GLY   4           1HA      GLY   4  -2.704 -18.096   7.097
   16    HA3  GLY   4           2HA      GLY   4  -1.235 -17.512   6.330
   17    H    SER   5           H        SER   5  -3.442 -19.914   6.249
   18    HA   SER   5           HA       SER   5  -1.799 -22.212   5.891
   19    HB2  SER   5           1HB      SER   5  -4.238 -22.271   6.486
   20    HB3  SER   5           2HB      SER   5  -4.601 -21.770   4.835
   21    HG   SER   5           HG       SER   5  -4.052 -23.700   4.108
   22    H    SER   6           H        SER   6  -3.535 -20.116   3.591
   23    HA   SER   6           HA       SER   6  -1.639 -20.997   1.513
   24    HB2  SER   6           1HB      SER   6  -3.986 -21.854   1.198
   25    HB3  SER   6           2HB      SER   6  -4.511 -20.179   1.030
   26    HG   SER   6           HG       SER   6  -3.789 -20.185  -0.938
   27    H    GLY   7           H        GLY   7  -1.714 -19.362  -0.408
   28    HA2  GLY   7           1HA      GLY   7  -1.427 -16.676   0.780
   29    HA3  GLY   7           2HA      GLY   7  -0.507 -17.266  -0.596
   30    H    THR   8           H        THR   8  -3.934 -16.876   0.318
   31    HA   THR   8           HA       THR   8  -4.494 -16.026  -2.435
   32    HB   THR   8           HB       THR   8  -6.881 -16.366  -1.851
   33    HG1  THR   8           HG1      THR   8  -6.196 -16.160   0.561
   34   HG21  THR   8          3HG2      THR   8  -6.209 -18.980  -1.116
   35   HG22  THR   8          1HG2      THR   8  -4.841 -18.395  -2.062
   36   HG23  THR   8          2HG2      THR   8  -6.466 -18.366  -2.748
   37    H    LYS   9           H        LYS   9  -5.967 -14.223  -2.773
   38    HA   LYS   9           HA       LYS   9  -5.173 -11.890  -1.480
   39    HB2  LYS   9           1HB      LYS   9  -7.438 -12.604  -3.293
   40    HB3  LYS   9           2HB      LYS   9  -7.456 -11.034  -2.500
   41    HG2  LYS   9           1HG      LYS   9  -6.391 -10.486  -4.433
   42    HG3  LYS   9           2HG      LYS   9  -4.997 -10.911  -3.437
   43    HD2  LYS   9           1HD      LYS   9  -4.624 -12.034  -5.455
   44    HD3  LYS   9           2HD      LYS   9  -5.282 -13.276  -4.387
   45    HE2  LYS   9           1HE      LYS   9  -7.567 -12.553  -5.401
   46    HE3  LYS   9           2HE      LYS   9  -6.577 -11.870  -6.689
   47    HZ1  LYS   9           3HZ      LYS   9  -5.532 -14.122  -6.877
   48    HZ2  LYS   9           1HZ      LYS   9  -7.156 -14.046  -7.344
   49    HZ3  LYS   9           2HZ      LYS   9  -6.738 -14.705  -5.844
   50    H    GLU  10           H        GLU  10  -6.199 -10.515   0.006
   51    HA   GLU  10           HA       GLU  10  -8.244 -11.824   1.677
   52    HB2  GLU  10           1HB      GLU  10  -5.834 -11.487   2.604
   53    HB3  GLU  10           2HB      GLU  10  -6.311  -9.803   2.764
   54    HG2  GLU  10           1HG      GLU  10  -8.343 -10.727   4.045
   55    HG3  GLU  10           2HG      GLU  10  -7.393 -12.206   4.174
   56    H    HIS  11           H        HIS  11  -6.856  -8.551   1.427
   57    HA   HIS  11           HA       HIS  11  -9.606  -7.507   1.247
   58    HB2  HIS  11           1HB      HIS  11  -7.135  -6.203   2.408
   59    HB3  HIS  11           2HB      HIS  11  -8.704  -5.419   2.249
   60    HD1  HIS  11           HD1      HIS  11  -8.137  -5.277   4.976
   61    HD2  HIS  11           HD2      HIS  11  -9.364  -8.923   3.407
   62    HE1  HIS  11           HE1      HIS  11  -8.948  -6.616   6.943
   63    HA   PRO  12           HA       PRO  12  -8.659  -5.858  -2.717
   64    HB2  PRO  12           1HB      PRO  12 -10.425  -3.797  -2.785
   65    HB3  PRO  12           2HB      PRO  12 -10.915  -5.488  -2.942
   66    HG2  PRO  12           1HG      PRO  12 -10.996  -3.707  -0.537
   67    HG3  PRO  12           2HG      PRO  12 -12.215  -4.856  -1.120
   68    HD2  PRO  12           1HD      PRO  12 -10.519  -5.436   0.910
   69    HD3  PRO  12           2HD      PRO  12 -11.119  -6.671  -0.215
   70    H    PHE  13           H        PHE  13  -8.094  -4.178   0.174
   71    HA   PHE  13           HA       PHE  13  -6.629  -2.071  -1.275
   72    HB2  PHE  13           1HB      PHE  13  -7.799  -1.896   1.509
   73    HB3  PHE  13           2HB      PHE  13  -6.970  -0.607   0.643
   74    HD1  PHE  13           HD2      PHE  13  -8.019   0.219  -1.533
   75    HD2  PHE  13           HD1      PHE  13 -10.097  -2.163   1.317
   76    HE1  PHE  13           HE2      PHE  13 -10.164   0.961  -2.482
   77    HE2  PHE  13           HE1      PHE  13 -12.246  -1.426   0.372
   78    HZ   PHE  13           HZ       PHE  13 -12.281   0.139  -1.529
   79    H    LYS  14           H        LYS  14  -4.529  -2.501  -1.257
   80    HA   LYS  14           HA       LYS  14  -3.326  -3.497   1.241
   81    HB2  LYS  14           1HB      LYS  14  -2.995  -5.363  -0.037
   82    HB3  LYS  14           2HB      LYS  14  -3.037  -4.467  -1.550
   83    HG2  LYS  14           1HG      LYS  14  -0.807  -4.016  -1.510
   84    HG3  LYS  14           2HG      LYS  14  -0.723  -4.024   0.254
   85    HD2  LYS  14           1HD      LYS  14  -0.705  -6.379   0.344
   86    HD3  LYS  14           2HD      LYS  14  -1.228  -6.526  -1.336
   87    HE2  LYS  14           1HE      LYS  14   1.402  -5.314  -0.506
   88    HE3  LYS  14           2HE      LYS  14   1.202  -7.017  -0.914
   89    HZ1  LYS  14           3HZ      LYS  14   1.060  -6.565  -3.093
   90    HZ2  LYS  14           1HZ      LYS  14   1.841  -5.121  -2.681
   91    HZ3  LYS  14           2HZ      LYS  14   0.161  -5.150  -2.867
   92    H    CYS  15           H        CYS  15  -1.622  -2.387   1.998
   93    HA   CYS  15           HA       CYS  15  -0.875   0.059   0.669
   94    HB2  CYS  15           1HB      CYS  15  -1.184  -0.116   3.145
   95    HB3  CYS  15           2HB      CYS  15   0.254  -1.131   3.210
   96    H    ASN  16           H        ASN  16   0.537   0.011  -0.950
   97    HA   ASN  16           HA       ASN  16   2.431  -2.078  -1.326
   98    HB2  ASN  16           1HB      ASN  16   1.424  -0.772  -3.188
   99    HB3  ASN  16           2HB      ASN  16   2.334   0.639  -2.656
  100   HD21  ASN  16          1HD2      ASN  16   3.032  -2.797  -3.228
  101   HD22  ASN  16          2HD2      ASN  16   4.434  -2.523  -4.199
  102    H    GLU  17           H        GLU  17   2.465   0.866   0.432
  103    HA   GLU  17           HA       GLU  17   5.211   1.468   0.382
  104    HB2  GLU  17           1HB      GLU  17   3.401   1.951   2.741
  105    HB3  GLU  17           2HB      GLU  17   4.798   2.891   2.237
  106    HG2  GLU  17           1HG      GLU  17   3.405   3.300   0.080
  107    HG3  GLU  17           2HG      GLU  17   2.043   2.838   1.100
  108    H    CYS  18           H        CYS  18   3.293  -0.501   2.630
  109    HA   CYS  18           HA       CYS  18   5.812  -1.682   3.601
  110    HB2  CYS  18           1HB      CYS  18   4.699  -2.056   5.765
  111    HB3  CYS  18           2HB      CYS  18   4.758  -0.345   5.355
  112    H    GLY  19           H        GLY  19   2.405  -2.240   2.846
  113    HA2  GLY  19           1HA      GLY  19   1.997  -4.273   1.480
  114    HA3  GLY  19           2HA      GLY  19   3.027  -5.122   2.623
  115    H    LYS  20           H        LYS  20   1.032  -2.782   4.062
  116    HA   LYS  20           HA       LYS  20  -0.389  -4.727   5.565
  117    HB2  LYS  20           1HB      LYS  20  -0.367  -1.758   5.378
  118    HB3  LYS  20           2HB      LYS  20  -1.786  -2.510   6.095
  119    HG2  LYS  20           1HG      LYS  20   0.037  -3.812   7.487
  120    HG3  LYS  20           2HG      LYS  20   1.009  -2.395   7.086
  121    HD2  LYS  20           1HD      LYS  20  -0.597  -0.930   8.101
  122    HD3  LYS  20           2HD      LYS  20  -1.732  -2.261   8.336
  123    HE2  LYS  20           1HE      LYS  20  -0.644  -1.767  10.427
  124    HE3  LYS  20           2HE      LYS  20  -0.096  -3.338   9.846
  125    HZ1  LYS  20           3HZ      LYS  20   1.377  -0.768   9.782
  126    HZ2  LYS  20           1HZ      LYS  20   1.872  -2.127   8.905
  127    HZ3  LYS  20           2HZ      LYS  20   1.804  -2.189  10.594
  128    H    THR  21           H        THR  21  -2.874  -4.464   5.786
  129    HA   THR  21           HA       THR  21  -4.174  -4.071   3.198
  130    HB   THR  21           HB       THR  21  -5.356  -6.210   3.319
  131    HG1  THR  21           HG1      THR  21  -3.589  -7.066   5.349
  132   HG21  THR  21          3HG2      THR  21  -2.805  -5.835   2.465
  133   HG22  THR  21          1HG2      THR  21  -3.719  -7.325   2.238
  134   HG23  THR  21          2HG2      THR  21  -2.591  -7.179   3.586
  135    H    PHE  22           H        PHE  22  -6.266  -3.385   3.334
  136    HA   PHE  22           HA       PHE  22  -7.566  -3.397   5.961
  137    HB2  PHE  22           1HB      PHE  22  -7.498  -0.930   4.223
  138    HB3  PHE  22           2HB      PHE  22  -8.107  -1.072   5.869
  139    HD1  PHE  22           HD2      PHE  22  -4.988  -1.372   3.870
  140    HD2  PHE  22           HD1      PHE  22  -6.739  -0.550   7.662
  141    HE1  PHE  22           HE2      PHE  22  -2.786  -0.700   4.738
  142    HE2  PHE  22           HE1      PHE  22  -4.540   0.124   8.535
  143    HZ   PHE  22           HZ       PHE  22  -2.559   0.048   7.074
  144    H    SER  23           H        SER  23  -9.777  -3.550   5.916
  145    HA   SER  23           HA       SER  23 -10.983  -4.708   3.672
  146    HB2  SER  23           1HB      SER  23 -11.773  -4.994   6.016
  147    HB3  SER  23           2HB      SER  23 -12.376  -3.337   5.984
  148    HG   SER  23           HG       SER  23 -13.890  -5.138   5.449
  149    H    HIS  24           H        HIS  24 -11.314  -1.423   4.996
  150    HA   HIS  24           HA       HIS  24 -12.612  -0.603   2.491
  151    HB2  HIS  24           1HB      HIS  24 -12.725   0.399   5.301
  152    HB3  HIS  24           2HB      HIS  24 -12.984   1.550   3.993
  153    HD1  HIS  24           HD1      HIS  24 -15.060   0.193   6.186
  154    HD2  HIS  24           HD2      HIS  24 -14.859  -0.360   2.073
  155    HE1  HIS  24           HE1      HIS  24 -17.350  -0.587   5.499
  156    H    SER  25           H        SER  25 -12.015   1.493   1.584
  157    HA   SER  25           HA       SER  25  -9.205   1.730   1.278
  158    HB2  SER  25           1HB      SER  25 -10.718   2.300  -0.547
  159    HB3  SER  25           2HB      SER  25 -11.432   3.592   0.417
  160    HG   SER  25           HG       SER  25  -8.963   4.188   0.478
  161    H    ALA  26           H        ALA  26 -11.611   3.924   2.729
  162    HA   ALA  26           HA       ALA  26 -10.192   6.019   3.570
  163    HB1  ALA  26           3HB      ALA  26 -12.576   5.513   4.148
  164    HB2  ALA  26           1HB      ALA  26 -11.977   4.525   5.481
  165    HB3  ALA  26           2HB      ALA  26 -11.642   6.257   5.446
  166    H    HIS  27           H        HIS  27 -10.062   2.824   5.090
  167    HA   HIS  27           HA       HIS  27  -8.354   3.522   7.217
  168    HB2  HIS  27           1HB      HIS  27  -8.703   0.856   5.830
  169    HB3  HIS  27           2HB      HIS  27  -7.899   1.094   7.378
  170    HD1  HIS  27           HD1      HIS  27 -10.856  -0.250   6.317
  171    HD2  HIS  27           HD2      HIS  27 -10.030   2.786   9.030
  172    HE1  HIS  27           HE1      HIS  27 -12.880  -0.107   7.802
  173    H    LEU  28           H        LEU  28  -7.654   2.137   4.018
  174    HA   LEU  28           HA       LEU  28  -4.874   1.947   4.326
  175    HB2  LEU  28           1HB      LEU  28  -5.854   0.774   2.539
  176    HB3  LEU  28           2HB      LEU  28  -6.654   2.219   1.924
  177    HG   LEU  28           HG       LEU  28  -4.457   3.106   1.234
  178   HD11  LEU  28          1HD1      LEU  28  -3.507   0.503   2.380
  179   HD12  LEU  28          2HD1      LEU  28  -2.906   2.133   2.682
  180   HD13  LEU  28          3HD1      LEU  28  -2.596   1.353   1.132
  181   HD21  LEU  28          3HD2      LEU  28  -5.984   1.589  -0.185
  182   HD22  LEU  28          1HD2      LEU  28  -4.748   0.359   0.078
  183   HD23  LEU  28          2HD2      LEU  28  -4.329   1.870  -0.730
  184    H    SER  29           H        SER  29  -6.716   4.433   2.544
  185    HA   SER  29           HA       SER  29  -4.671   6.152   1.933
  186    HB2  SER  29           1HB      SER  29  -6.311   7.877   1.688
  187    HB3  SER  29           2HB      SER  29  -7.104   6.360   1.262
  188    HG   SER  29           HG       SER  29  -7.836   6.353   3.525
  189    H    LYS  30           H        LYS  30  -6.435   5.886   4.978
  190    HA   LYS  30           HA       LYS  30  -5.214   8.138   6.214
  191    HB2  LYS  30           1HB      LYS  30  -7.382   6.780   6.839
  192    HB3  LYS  30           2HB      LYS  30  -6.259   5.830   7.804
  193    HG2  LYS  30           1HG      LYS  30  -5.574   7.838   9.003
  194    HG3  LYS  30           2HG      LYS  30  -6.679   8.805   8.023
  195    HD2  LYS  30           1HD      LYS  30  -8.539   7.332   8.876
  196    HD3  LYS  30           2HD      LYS  30  -7.373   6.650  10.013
  197    HE2  LYS  30           1HE      LYS  30  -7.080   8.729  11.101
  198    HE3  LYS  30           2HE      LYS  30  -7.904   9.604   9.812
  199    HZ1  LYS  30           3HZ      LYS  30  -9.214   7.621  11.592
  200    HZ2  LYS  30           1HZ      LYS  30  -9.971   8.607  10.444
  201    HZ3  LYS  30           2HZ      LYS  30  -9.272   9.296  11.822
  202    H    HIS  31           H        HIS  31  -4.555   4.658   6.272
  203    HA   HIS  31           HA       HIS  31  -2.412   4.827   8.133
  204    HB2  HIS  31           1HB      HIS  31  -3.260   2.685   8.041
  205    HB3  HIS  31           2HB      HIS  31  -3.484   2.733   6.295
  206    HD1  HIS  31           HD1      HIS  31  -0.918   2.015   8.923
  207    HD2  HIS  31           HD2      HIS  31  -1.285   1.905   4.786
  208    HE1  HIS  31           HE1      HIS  31   1.099   0.757   8.102
  209    H    GLN  32           H        GLN  32  -2.683   5.620   4.845
  210    HA   GLN  32           HA       GLN  32   0.045   5.105   4.111
  211    HB2  GLN  32           1HB      GLN  32  -2.228   6.582   2.807
  212    HB3  GLN  32           2HB      GLN  32  -0.606   6.614   2.129
  213    HG2  GLN  32           1HG      GLN  32  -0.750   4.044   2.239
  214    HG3  GLN  32           2HG      GLN  32  -2.485   4.307   2.407
  215   HE21  GLN  32          1HE2      GLN  32  -1.857   2.909   0.310
  216   HE22  GLN  32          2HE2      GLN  32  -1.913   3.830  -1.150
  217    H    LEU  33           H        LEU  33  -1.808   7.868   5.253
  218    HA   LEU  33           HA       LEU  33  -0.011   9.920   4.757
  219    HB2  LEU  33           1HB      LEU  33  -1.802   9.588   7.159
  220    HB3  LEU  33           2HB      LEU  33  -1.070  11.098   6.621
  221    HG   LEU  33           HG       LEU  33  -2.940   9.571   4.841
  222   HD11  LEU  33          1HD1      LEU  33  -3.676  11.532   7.007
  223   HD12  LEU  33          2HD1      LEU  33  -4.181   9.848   6.875
  224   HD13  LEU  33          3HD1      LEU  33  -4.751  11.033   5.700
  225   HD21  LEU  33          3HD2      LEU  33  -3.177  11.605   3.705
  226   HD22  LEU  33          1HD2      LEU  33  -1.455  11.503   4.071
  227   HD23  LEU  33          2HD2      LEU  33  -2.503  12.535   5.044
  228    H    ILE  34           H        ILE  34   0.208   7.315   6.991
  229    HA   ILE  34           HA       ILE  34   2.041   8.522   8.814
  230    HB   ILE  34           HB       ILE  34   2.168   6.483   9.883
  231   HG12  ILE  34          1HG1      ILE  34   1.757   5.240   7.166
  232   HG13  ILE  34          2HG1      ILE  34   3.170   5.125   8.210
  233   HG21  ILE  34          1HG2      ILE  34  -0.006   5.789  10.163
  234   HG22  ILE  34          2HG2      ILE  34  -0.244   7.349   9.378
  235   HG23  ILE  34          3HG2      ILE  34  -0.366   5.862   8.438
  236   HD11  ILE  34          3HD1      ILE  34   0.940   4.108   9.633
  237   HD12  ILE  34          1HD1      ILE  34   0.958   3.376   8.029
  238   HD13  ILE  34          2HD1      ILE  34   2.376   3.254   9.070
  239    H    HIS  35           H        HIS  35   2.341   6.805   5.790
  240    HA   HIS  35           HA       HIS  35   5.165   6.348   6.023
  241    HB2  HIS  35           1HB      HIS  35   3.189   6.100   3.764
  242    HB3  HIS  35           2HB      HIS  35   4.916   5.870   3.507
  243    HD1  HIS  35           HD1      HIS  35   5.961   3.995   5.315
  244    HD2  HIS  35           HD2      HIS  35   1.928   3.788   4.341
  245    HE1  HIS  35           HE1      HIS  35   5.246   1.658   5.906
  246    H    ALA  36           H        ALA  36   3.098   8.783   4.550
  247    HA   ALA  36           HA       ALA  36   4.942  10.119   2.965
  248    HB1  ALA  36           3HB      ALA  36   3.051  11.834   4.433
  249    HB2  ALA  36           1HB      ALA  36   3.336  11.676   2.699
  250    HB3  ALA  36           2HB      ALA  36   2.336  10.491   3.541
  251    H    GLY  37           H        GLY  37   5.386  12.628   3.645
  252    HA2  GLY  37           1HA      GLY  37   7.648  12.769   5.081
  253    HA3  GLY  37           2HA      GLY  37   6.490  14.090   5.073
  254    H    GLU  38           H        GLU  38   4.443  13.269   6.564
  255    HA   GLU  38           HA       GLU  38   5.314  13.593   9.186
  256    HB2  GLU  38           1HB      GLU  38   2.734  12.450   8.112
  257    HB3  GLU  38           2HB      GLU  38   3.004  12.800   9.814
  258    HG2  GLU  38           1HG      GLU  38   3.223  14.851   7.627
  259    HG3  GLU  38           2HG      GLU  38   1.760  14.558   8.564
  260    H    ASN  39           H        ASN  39   7.046  12.059   9.400
  261    HA   ASN  39           HA       ASN  39   6.107   9.518  10.458
  262    HB2  ASN  39           1HB      ASN  39   7.517   8.137   9.140
  263    HB3  ASN  39           2HB      ASN  39   6.697   9.201   8.001
  264   HD21  ASN  39          1HD2      ASN  39   7.924  10.130   6.540
  265   HD22  ASN  39          2HD2      ASN  39   9.626  10.404   6.662
  266    HA   PRO  40           HA       PRO  40   9.174  10.361  13.494
  267    HB2  PRO  40           1HB      PRO  40   9.575   7.851  14.448
  268    HB3  PRO  40           2HB      PRO  40   8.116   8.787  14.792
  269    HG2  PRO  40           1HG      PRO  40   8.548   6.631  12.761
  270    HG3  PRO  40           2HG      PRO  40   7.165   6.890  13.841
  271    HD2  PRO  40           1HD      PRO  40   7.134   7.618  11.233
  272    HD3  PRO  40           2HD      PRO  40   6.251   8.515  12.486
  273    H    SER  41           H        SER  41  11.356   9.441  14.268
  274    HA   SER  41           HA       SER  41  12.997   8.989  11.886
  275    HB2  SER  41           1HB      SER  41  14.834   9.858  13.118
  276    HB3  SER  41           2HB      SER  41  13.463  10.891  13.522
  277    HG   SER  41           HG       SER  41  14.983   9.730  15.221
  278    H    GLY  42           H        GLY  42  14.797   7.476  11.994
  279    HA2  GLY  42           1HA      GLY  42  15.074   5.541  14.024
  280    HA3  GLY  42           2HA      GLY  42  14.008   4.906  12.779
  281    HA   PRO  43           HA       PRO  43  18.303   3.778  11.556
  282    HB2  PRO  43           1HB      PRO  43  17.632   1.301  10.672
  283    HB3  PRO  43           2HB      PRO  43  18.002   1.649  12.365
  284    HG2  PRO  43           1HG      PRO  43  15.339   1.376  11.025
  285    HG3  PRO  43           2HG      PRO  43  15.872   0.743  12.593
  286    HD2  PRO  43           1HD      PRO  43  14.365   2.980  12.362
  287    HD3  PRO  43           2HD      PRO  43  15.560   2.763  13.657
  288    H    SER  44           H        SER  44  19.167   3.863   9.526
  289    HA   SER  44           HA       SER  44  17.586   3.391   7.170
  290    HB2  SER  44           1HB      SER  44  17.644   5.622   6.264
  291    HB3  SER  44           2HB      SER  44  16.916   5.712   7.867
  292    HG   SER  44           HG       SER  44  18.396   7.308   7.861
  293    H    SER  45           H        SER  45  18.970   2.272   5.980
  294    HA   SER  45           HA       SER  45  21.752   2.279   6.284
  295    HB2  SER  45           1HB      SER  45  19.986   1.343   4.020
  296    HB3  SER  45           2HB      SER  45  21.733   1.106   4.026
  297    HG   SER  45           HG       SER  45  20.249  -0.608   4.940
  298    H    GLY  46           H        GLY  46  22.868   4.134   6.056
  299    HA2  GLY  46           1HA      GLY  46  23.765   5.130   3.715
  300    HA3  GLY  46           2HA      GLY  46  22.257   6.006   3.934
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1  10.292 -22.649 -12.872
    2    HA2  GLY   1           1HA      GLY   1   8.090 -21.966 -13.849
    3    HA3  GLY   1           2HA      GLY   1   7.751 -23.686 -13.969
    4    H    SER   2           H        SER   2   6.431 -21.428 -12.487
    5    HA   SER   2           HA       SER   2   6.461 -22.696  -9.826
    6    HB2  SER   2           1HB      SER   2   5.945 -19.765 -10.375
    7    HB3  SER   2           2HB      SER   2   6.064 -20.542  -8.797
    8    HG   SER   2           HG       SER   2   7.995 -19.390  -9.787
    9    H    SER   3           H        SER   3   4.788 -23.561 -11.866
   10    HA   SER   3           HA       SER   3   2.233 -22.304 -11.769
   11    HB2  SER   3           1HB      SER   3   3.170 -24.996 -12.758
   12    HB3  SER   3           2HB      SER   3   1.476 -24.508 -12.820
   13    HG   SER   3           HG       SER   3   3.665 -23.171 -14.040
   14    H    GLY   4           H        GLY   4   0.272 -23.250 -10.898
   15    HA2  GLY   4           1HA      GLY   4  -0.920 -24.604  -9.388
   16    HA3  GLY   4           2HA      GLY   4   0.606 -25.206  -8.758
   17    H    SER   5           H        SER   5  -0.590 -21.882  -9.143
   18    HA   SER   5           HA       SER   5   0.173 -21.330  -6.389
   19    HB2  SER   5           1HB      SER   5   0.753 -19.782  -8.303
   20    HB3  SER   5           2HB      SER   5  -0.964 -19.394  -8.414
   21    HG   SER   5           HG       SER   5  -0.569 -19.006  -5.970
   22    H    SER   6           H        SER   6  -1.208 -20.827  -4.758
   23    HA   SER   6           HA       SER   6  -3.985 -21.554  -5.136
   24    HB2  SER   6           1HB      SER   6  -2.875 -22.403  -3.160
   25    HB3  SER   6           2HB      SER   6  -2.420 -20.772  -2.666
   26    HG   SER   6           HG       SER   6  -5.129 -21.305  -3.075
   27    H    GLY   7           H        GLY   7  -5.699 -20.209  -5.164
   28    HA2  GLY   7           1HA      GLY   7  -5.512 -17.566  -5.883
   29    HA3  GLY   7           2HA      GLY   7  -6.926 -18.263  -5.106
   30    H    THR   8           H        THR   8  -5.468 -15.607  -4.892
   31    HA   THR   8           HA       THR   8  -5.140 -15.625  -1.961
   32    HB   THR   8           HB       THR   8  -3.014 -15.087  -2.913
   33    HG1  THR   8           HG1      THR   8  -4.242 -13.515  -1.304
   34   HG21  THR   8          3HG2      THR   8  -4.285 -12.845  -4.472
   35   HG22  THR   8          1HG2      THR   8  -3.982 -14.438  -5.163
   36   HG23  THR   8          2HG2      THR   8  -2.635 -13.453  -4.592
   37    H    LYS   9           H        LYS   9  -7.505 -15.318  -1.961
   38    HA   LYS   9           HA       LYS   9  -8.503 -12.766  -2.904
   39    HB2  LYS   9           1HB      LYS   9  -9.785 -15.081  -1.457
   40    HB3  LYS   9           2HB      LYS   9 -10.644 -13.585  -1.797
   41    HG2  LYS   9           1HG      LYS   9 -11.250 -15.035  -3.524
   42    HG3  LYS   9           2HG      LYS   9 -10.033 -13.973  -4.235
   43    HD2  LYS   9           1HD      LYS   9  -8.332 -15.676  -3.938
   44    HD3  LYS   9           2HD      LYS   9  -9.494 -16.728  -3.127
   45    HE2  LYS   9           1HE      LYS   9 -10.849 -16.387  -5.359
   46    HE3  LYS   9           2HE      LYS   9  -9.253 -16.020  -6.011
   47    HZ1  LYS   9           3HZ      LYS   9  -9.069 -18.337  -4.444
   48    HZ2  LYS   9           1HZ      LYS   9  -8.832 -18.175  -6.112
   49    HZ3  LYS   9           2HZ      LYS   9 -10.371 -18.527  -5.507
   50    H    GLU  10           H        GLU  10  -7.328 -11.278  -1.660
   51    HA   GLU  10           HA       GLU  10  -8.023 -11.240   1.204
   52    HB2  GLU  10           1HB      GLU  10  -5.559 -10.231  -0.216
   53    HB3  GLU  10           2HB      GLU  10  -5.954  -9.799   1.442
   54    HG2  GLU  10           1HG      GLU  10  -5.861 -12.138   2.093
   55    HG3  GLU  10           2HG      GLU  10  -5.510 -12.598   0.428
   56    H    HIS  11           H        HIS  11  -7.762  -8.868   2.071
   57    HA   HIS  11           HA       HIS  11  -9.854  -7.344   1.281
   58    HB2  HIS  11           1HB      HIS  11  -7.219  -6.223   2.255
   59    HB3  HIS  11           2HB      HIS  11  -8.789  -5.431   2.358
   60    HD1  HIS  11           HD1      HIS  11  -7.988  -5.429   4.990
   61    HD2  HIS  11           HD2      HIS  11  -9.195  -9.052   3.353
   62    HE1  HIS  11           HE1      HIS  11  -8.512  -6.912   6.952
   63    HA   PRO  12           HA       PRO  12  -8.977  -5.681  -2.697
   64    HB2  PRO  12           1HB      PRO  12 -10.606  -3.511  -2.631
   65    HB3  PRO  12           2HB      PRO  12 -11.212  -5.162  -2.808
   66    HG2  PRO  12           1HG      PRO  12 -11.070  -3.448  -0.357
   67    HG3  PRO  12           2HG      PRO  12 -12.385  -4.500  -0.912
   68    HD2  PRO  12           1HD      PRO  12 -10.642  -5.244   1.022
   69    HD3  PRO  12           2HD      PRO  12 -11.371  -6.406  -0.106
   70    H    PHE  13           H        PHE  13  -8.241  -4.066   0.214
   71    HA   PHE  13           HA       PHE  13  -6.641  -2.075  -1.256
   72    HB2  PHE  13           1HB      PHE  13  -7.735  -1.764   1.545
   73    HB3  PHE  13           2HB      PHE  13  -6.907  -0.541   0.588
   74    HD1  PHE  13           HD2      PHE  13  -8.030   0.259  -1.548
   75    HD2  PHE  13           HD1      PHE  13 -10.048  -1.991   1.448
   76    HE1  PHE  13           HE2      PHE  13 -10.192   1.034  -2.428
   77    HE2  PHE  13           HE1      PHE  13 -12.215  -1.221   0.572
   78    HZ   PHE  13           HZ       PHE  13 -12.289   0.295  -1.368
   79    H    LYS  14           H        LYS  14  -4.542  -2.468  -1.153
   80    HA   LYS  14           HA       LYS  14  -3.405  -3.497   1.350
   81    HB2  LYS  14           1HB      LYS  14  -3.487  -5.466   0.057
   82    HB3  LYS  14           2HB      LYS  14  -3.029  -4.620  -1.416
   83    HG2  LYS  14           1HG      LYS  14  -1.095  -4.645   0.836
   84    HG3  LYS  14           2HG      LYS  14  -1.325  -6.132  -0.087
   85    HD2  LYS  14           1HD      LYS  14  -1.041  -4.545  -2.148
   86    HD3  LYS  14           2HD      LYS  14  -0.250  -3.489  -0.975
   87    HE2  LYS  14           1HE      LYS  14   1.332  -5.235  -0.421
   88    HE3  LYS  14           2HE      LYS  14   0.501  -6.365  -1.488
   89    HZ1  LYS  14           3HZ      LYS  14   1.027  -4.781  -3.334
   90    HZ2  LYS  14           1HZ      LYS  14   2.369  -5.556  -2.655
   91    HZ3  LYS  14           2HZ      LYS  14   2.031  -3.947  -2.257
   92    H    CYS  15           H        CYS  15  -1.897  -2.148   2.047
   93    HA   CYS  15           HA       CYS  15  -0.908   0.016   0.557
   94    HB2  CYS  15           1HB      CYS  15  -1.005  -0.053   3.035
   95    HB3  CYS  15           2HB      CYS  15   0.299  -1.236   3.033
   96    H    ASN  16           H        ASN  16   0.919   0.338  -0.613
   97    HA   ASN  16           HA       ASN  16   2.461  -2.053  -1.300
   98    HB2  ASN  16           1HB      ASN  16   1.988   0.583  -2.665
   99    HB3  ASN  16           2HB      ASN  16   3.340  -0.442  -3.139
  100   HD21  ASN  16          1HD2      ASN  16   2.714  -2.769  -3.555
  101   HD22  ASN  16          2HD2      ASN  16   1.261  -3.024  -4.455
  102    H    GLU  17           H        GLU  17   2.692   0.785   0.541
  103    HA   GLU  17           HA       GLU  17   5.499   1.237   0.302
  104    HB2  GLU  17           1HB      GLU  17   3.622   2.053   2.528
  105    HB3  GLU  17           2HB      GLU  17   5.227   2.709   2.233
  106    HG2  GLU  17           1HG      GLU  17   4.167   3.237  -0.136
  107    HG3  GLU  17           2HG      GLU  17   2.679   3.207   0.809
  108    H    CYS  18           H        CYS  18   3.460  -0.440   2.672
  109    HA   CYS  18           HA       CYS  18   5.899  -1.664   3.785
  110    HB2  CYS  18           1HB      CYS  18   4.660  -1.957   5.884
  111    HB3  CYS  18           2HB      CYS  18   4.726  -0.260   5.417
  112    H    GLY  19           H        GLY  19   2.499  -2.242   2.955
  113    HA2  GLY  19           1HA      GLY  19   2.116  -4.286   1.597
  114    HA3  GLY  19           2HA      GLY  19   3.150  -5.118   2.749
  115    H    LYS  20           H        LYS  20   0.991  -2.745   3.990
  116    HA   LYS  20           HA       LYS  20  -0.396  -4.732   5.533
  117    HB2  LYS  20           1HB      LYS  20  -0.331  -1.760   5.416
  118    HB3  LYS  20           2HB      LYS  20  -1.767  -2.508   6.102
  119    HG2  LYS  20           1HG      LYS  20   0.006  -3.866   7.490
  120    HG3  LYS  20           2HG      LYS  20   1.025  -2.474   7.116
  121    HD2  LYS  20           1HD      LYS  20  -0.378  -0.992   8.252
  122    HD3  LYS  20           2HD      LYS  20  -1.739  -2.116   8.225
  123    HE2  LYS  20           1HE      LYS  20   0.804  -2.680   9.728
  124    HE3  LYS  20           2HE      LYS  20  -0.551  -1.813  10.449
  125    HZ1  LYS  20           3HZ      LYS  20  -0.511  -4.604   9.454
  126    HZ2  LYS  20           1HZ      LYS  20  -1.944  -3.784   9.825
  127    HZ3  LYS  20           2HZ      LYS  20  -0.796  -4.069  11.033
  128    H    THR  21           H        THR  21  -2.869  -4.484   5.731
  129    HA   THR  21           HA       THR  21  -4.141  -4.001   3.141
  130    HB   THR  21           HB       THR  21  -5.361  -6.126   3.221
  131    HG1  THR  21           HG1      THR  21  -4.509  -7.734   4.744
  132   HG21  THR  21          3HG2      THR  21  -3.614  -6.506   1.821
  133   HG22  THR  21          1HG2      THR  21  -3.129  -7.616   3.102
  134   HG23  THR  21          2HG2      THR  21  -2.411  -6.008   3.011
  135    H    PHE  22           H        PHE  22  -6.294  -3.420   3.253
  136    HA   PHE  22           HA       PHE  22  -7.588  -3.410   5.877
  137    HB2  PHE  22           1HB      PHE  22  -7.586  -0.925   4.174
  138    HB3  PHE  22           2HB      PHE  22  -8.079  -1.096   5.855
  139    HD1  PHE  22           HD2      PHE  22  -5.134  -1.195   3.609
  140    HD2  PHE  22           HD1      PHE  22  -6.563  -0.726   7.590
  141    HE1  PHE  22           HE2      PHE  22  -2.884  -0.512   4.332
  142    HE2  PHE  22           HE1      PHE  22  -4.316  -0.042   8.320
  143    HZ   PHE  22           HZ       PHE  22  -2.472   0.065   6.691
  144    H    SER  23           H        SER  23  -9.767  -3.675   5.810
  145    HA   SER  23           HA       SER  23 -10.952  -4.742   3.509
  146    HB2  SER  23           1HB      SER  23 -13.106  -4.492   4.791
  147    HB3  SER  23           2HB      SER  23 -11.826  -5.327   5.671
  148    HG   SER  23           HG       SER  23 -12.853  -2.737   6.047
  149    H    HIS  24           H        HIS  24 -11.220  -1.518   4.960
  150    HA   HIS  24           HA       HIS  24 -12.633  -0.608   2.544
  151    HB2  HIS  24           1HB      HIS  24 -12.710   0.233   5.401
  152    HB3  HIS  24           2HB      HIS  24 -12.967   1.472   4.176
  153    HD1  HIS  24           HD1      HIS  24 -14.391  -1.910   5.162
  154    HD2  HIS  24           HD2      HIS  24 -15.523   1.614   3.276
  155    HE1  HIS  24           HE1      HIS  24 -16.857  -2.142   4.728
  156    H    SER  25           H        SER  25 -12.029   1.411   1.597
  157    HA   SER  25           HA       SER  25  -9.237   1.737   1.321
  158    HB2  SER  25           1HB      SER  25  -9.763   3.582  -0.151
  159    HB3  SER  25           2HB      SER  25 -10.930   2.291  -0.438
  160    HG   SER  25           HG       SER  25 -11.309   4.825   0.566
  161    H    ALA  26           H        ALA  26 -11.687   3.863   2.797
  162    HA   ALA  26           HA       ALA  26 -10.322   5.982   3.658
  163    HB1  ALA  26           3HB      ALA  26 -11.874   4.626   5.796
  164    HB2  ALA  26           1HB      ALA  26 -11.915   6.305   5.256
  165    HB3  ALA  26           2HB      ALA  26 -12.711   5.051   4.304
  166    H    HIS  27           H        HIS  27 -10.057   2.762   5.091
  167    HA   HIS  27           HA       HIS  27  -8.357   3.490   7.228
  168    HB2  HIS  27           1HB      HIS  27  -8.655   0.825   5.826
  169    HB3  HIS  27           2HB      HIS  27  -7.850   1.075   7.372
  170    HD1  HIS  27           HD1      HIS  27 -10.824  -0.262   6.249
  171    HD2  HIS  27           HD2      HIS  27  -9.969   2.628   9.109
  172    HE1  HIS  27           HE1      HIS  27 -12.834  -0.195   7.759
  173    H    LEU  28           H        LEU  28  -7.636   2.033   4.058
  174    HA   LEU  28           HA       LEU  28  -4.863   1.940   4.317
  175    HB2  LEU  28           1HB      LEU  28  -5.862   0.758   2.537
  176    HB3  LEU  28           2HB      LEU  28  -6.659   2.205   1.924
  177    HG   LEU  28           HG       LEU  28  -4.446   3.090   1.253
  178   HD11  LEU  28          1HD1      LEU  28  -3.479   0.372   2.124
  179   HD12  LEU  28          2HD1      LEU  28  -3.037   1.926   2.831
  180   HD13  LEU  28          3HD1      LEU  28  -2.539   1.532   1.186
  181   HD21  LEU  28          3HD2      LEU  28  -6.004   1.157   0.017
  182   HD22  LEU  28          1HD2      LEU  28  -4.353   0.558  -0.146
  183   HD23  LEU  28          2HD2      LEU  28  -4.771   2.164  -0.745
  184    H    SER  29           H        SER  29  -6.725   4.373   2.482
  185    HA   SER  29           HA       SER  29  -4.747   6.136   1.869
  186    HB2  SER  29           1HB      SER  29  -7.089   6.415   1.160
  187    HB3  SER  29           2HB      SER  29  -7.532   6.876   2.804
  188    HG   SER  29           HG       SER  29  -5.810   8.566   2.457
  189    H    LYS  30           H        LYS  30  -6.495   5.935   4.942
  190    HA   LYS  30           HA       LYS  30  -5.223   8.160   6.151
  191    HB2  LYS  30           1HB      LYS  30  -7.379   6.791   6.821
  192    HB3  LYS  30           2HB      LYS  30  -6.232   5.869   7.785
  193    HG2  LYS  30           1HG      LYS  30  -5.501   8.038   8.811
  194    HG3  LYS  30           2HG      LYS  30  -6.862   8.802   7.986
  195    HD2  LYS  30           1HD      LYS  30  -8.210   6.847   9.135
  196    HD3  LYS  30           2HD      LYS  30  -6.849   6.874  10.257
  197    HE2  LYS  30           1HE      LYS  30  -7.329   9.010  10.991
  198    HE3  LYS  30           2HE      LYS  30  -8.201   9.432   9.519
  199    HZ1  LYS  30           3HZ      LYS  30  -9.137   7.986  11.884
  200    HZ2  LYS  30           1HZ      LYS  30  -9.796   7.556  10.386
  201    HZ3  LYS  30           2HZ      LYS  30  -9.931   9.147  10.944
  202    H    HIS  31           H        HIS  31  -4.561   4.682   6.192
  203    HA   HIS  31           HA       HIS  31  -2.402   4.829   8.029
  204    HB2  HIS  31           1HB      HIS  31  -3.276   2.690   7.876
  205    HB3  HIS  31           2HB      HIS  31  -3.431   2.765   6.124
  206    HD1  HIS  31           HD1      HIS  31  -0.977   2.000   8.839
  207    HD2  HIS  31           HD2      HIS  31  -1.158   1.995   4.689
  208    HE1  HIS  31           HE1      HIS  31   1.083   0.774   8.078
  209    H    GLN  32           H        GLN  32  -2.695   5.746   4.789
  210    HA   GLN  32           HA       GLN  32   0.031   5.249   4.014
  211    HB2  GLN  32           1HB      GLN  32  -2.237   6.786   2.762
  212    HB3  GLN  32           2HB      GLN  32  -0.622   6.773   2.067
  213    HG2  GLN  32           1HG      GLN  32  -0.954   4.155   2.291
  214    HG3  GLN  32           2HG      GLN  32  -2.652   4.621   2.202
  215   HE21  GLN  32          1HE2      GLN  32  -1.102   3.100   0.299
  216   HE22  GLN  32          2HE2      GLN  32  -1.151   3.974  -1.190
  217    H    LEU  33           H        LEU  33  -1.786   7.886   5.407
  218    HA   LEU  33           HA       LEU  33  -0.007   9.991   4.910
  219    HB2  LEU  33           1HB      LEU  33  -1.834   9.563   7.269
  220    HB3  LEU  33           2HB      LEU  33  -1.062  11.089   6.844
  221    HG   LEU  33           HG       LEU  33  -2.941   9.696   4.959
  222   HD11  LEU  33          1HD1      LEU  33  -3.653  11.677   7.117
  223   HD12  LEU  33          2HD1      LEU  33  -4.153   9.988   7.041
  224   HD13  LEU  33          3HD1      LEU  33  -4.727  11.133   5.828
  225   HD21  LEU  33          3HD2      LEU  33  -1.287  11.760   4.524
  226   HD22  LEU  33          1HD2      LEU  33  -2.687  12.633   5.146
  227   HD23  LEU  33          2HD2      LEU  33  -2.854  11.594   3.731
  228    H    ILE  34           H        ILE  34   0.273   7.278   6.965
  229    HA   ILE  34           HA       ILE  34   2.081   8.434   8.865
  230    HB   ILE  34           HB       ILE  34   2.189   6.369   9.873
  231   HG12  ILE  34          1HG1      ILE  34   1.755   5.157   7.138
  232   HG13  ILE  34          2HG1      ILE  34   3.232   5.124   8.095
  233   HG21  ILE  34          1HG2      ILE  34  -0.196   7.206   9.497
  234   HG22  ILE  34          2HG2      ILE  34  -0.333   5.905   8.314
  235   HG23  ILE  34          3HG2      ILE  34   0.007   5.529  10.003
  236   HD11  ILE  34          3HD1      ILE  34   2.560   3.107   8.739
  237   HD12  ILE  34          1HD1      ILE  34   1.407   3.955   9.769
  238   HD13  ILE  34          2HD1      ILE  34   0.911   3.379   8.177
  239    H    HIS  35           H        HIS  35   2.368   6.904   5.756
  240    HA   HIS  35           HA       HIS  35   5.186   6.383   5.968
  241    HB2  HIS  35           1HB      HIS  35   3.199   6.281   3.711
  242    HB3  HIS  35           2HB      HIS  35   4.923   6.078   3.417
  243    HD1  HIS  35           HD1      HIS  35   5.978   4.119   5.174
  244    HD2  HIS  35           HD2      HIS  35   1.979   3.908   4.067
  245    HE1  HIS  35           HE1      HIS  35   5.286   1.739   5.600
  246    H    ALA  36           H        ALA  36   3.164   8.983   4.803
  247    HA   ALA  36           HA       ALA  36   5.264  10.364   3.422
  248    HB1  ALA  36           3HB      ALA  36   3.639  11.718   2.679
  249    HB2  ALA  36           1HB      ALA  36   2.546  10.517   3.367
  250    HB3  ALA  36           2HB      ALA  36   2.966  11.960   4.291
  251    H    GLY  37           H        GLY  37   3.465  11.062   6.430
  252    HA2  GLY  37           1HA      GLY  37   4.240  11.965   8.416
  253    HA3  GLY  37           2HA      GLY  37   5.864  11.954   7.744
  254    H    GLU  38           H        GLU  38   4.143  14.004   9.212
  255    HA   GLU  38           HA       GLU  38   4.110  16.159   7.235
  256    HB2  GLU  38           1HB      GLU  38   3.112  16.059  10.087
  257    HB3  GLU  38           2HB      GLU  38   2.991  17.462   9.036
  258    HG2  GLU  38           1HG      GLU  38   1.330  16.555   7.775
  259    HG3  GLU  38           2HG      GLU  38   1.869  14.900   8.054
  260    H    ASN  39           H        ASN  39   5.569  15.326  10.353
  261    HA   ASN  39           HA       ASN  39   7.634  17.358   9.831
  262    HB2  ASN  39           1HB      ASN  39   6.106  18.139  11.610
  263    HB3  ASN  39           2HB      ASN  39   6.456  16.682  12.535
  264   HD21  ASN  39          1HD2      ASN  39   8.340  16.526  13.660
  265   HD22  ASN  39          2HD2      ASN  39   9.460  17.830  13.830
  266    HA   PRO  40           HA       PRO  40   9.550  13.174  10.382
  267    HB2  PRO  40           1HB      PRO  40  11.288  13.448   8.314
  268    HB3  PRO  40           2HB      PRO  40   9.637  12.849   8.109
  269    HG2  PRO  40           1HG      PRO  40  10.730  15.594   7.627
  270    HG3  PRO  40           2HG      PRO  40   9.601  14.650   6.638
  271    HD2  PRO  40           1HD      PRO  40   8.782  16.622   8.304
  272    HD3  PRO  40           2HD      PRO  40   7.794  15.186   7.965
  273    H    SER  41           H        SER  41  11.790  12.655  10.884
  274    HA   SER  41           HA       SER  41  13.325  15.012  11.764
  275    HB2  SER  41           1HB      SER  41  12.806  12.386  13.132
  276    HB3  SER  41           2HB      SER  41  14.242  13.331  13.524
  277    HG   SER  41           HG       SER  41  12.301  13.738  14.828
  278    H    GLY  42           H        GLY  42  14.721  15.154  10.047
  279    HA2  GLY  42           1HA      GLY  42  16.782  13.098   9.941
  280    HA3  GLY  42           2HA      GLY  42  15.898  13.381   8.449
  281    HA   PRO  43           HA       PRO  43  19.557  16.343   8.960
  282    HB2  PRO  43           1HB      PRO  43  21.098  15.339   6.963
  283    HB3  PRO  43           2HB      PRO  43  21.205  14.775   8.634
  284    HG2  PRO  43           1HG      PRO  43  19.765  13.554   6.311
  285    HG3  PRO  43           2HG      PRO  43  20.752  12.765   7.556
  286    HD2  PRO  43           1HD      PRO  43  18.045  12.773   7.631
  287    HD3  PRO  43           2HD      PRO  43  19.041  12.781   9.100
  288    H    SER  44           H        SER  44  20.654  17.462   6.896
  289    HA   SER  44           HA       SER  44  18.530  18.750   5.525
  290    HB2  SER  44           1HB      SER  44  20.202  20.111   4.520
  291    HB3  SER  44           2HB      SER  44  20.795  19.747   6.141
  292    HG   SER  44           HG       SER  44  21.780  17.838   4.816
  293    H    SER  45           H        SER  45  18.219  18.873   3.218
  294    HA   SER  45           HA       SER  45  19.075  16.451   1.778
  295    HB2  SER  45           1HB      SER  45  16.824  16.473   0.660
  296    HB3  SER  45           2HB      SER  45  16.769  16.103   2.384
  297    HG   SER  45           HG       SER  45  16.339  18.429   2.650
  298    H    GLY  46           H        GLY  46  17.471  19.595   1.226
  299    HA2  GLY  46           1HA      GLY  46  18.630  21.298  -0.077
  300    HA3  GLY  46           2HA      GLY  46  19.312  20.000  -1.046
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1  15.761 -18.524  -2.088
    2    HA2  GLY   1           1HA      GLY   1  14.499 -19.971   0.131
    3    HA3  GLY   1           2HA      GLY   1  14.703 -18.229   0.021
    4    H    SER   2           H        SER   2  13.041 -20.899  -1.652
    5    HA   SER   2           HA       SER   2  11.188 -19.565  -3.113
    6    HB2  SER   2           1HB      SER   2  11.067 -22.143  -1.602
    7    HB3  SER   2           2HB      SER   2   9.593 -21.529  -2.350
    8    HG   SER   2           HG       SER   2  11.254 -21.273  -4.237
    9    H    SER   3           H        SER   3  10.977 -20.257   0.356
   10    HA   SER   3           HA       SER   3   8.517 -19.532   1.089
   11    HB2  SER   3           1HB      SER   3   9.464 -18.509   3.142
   12    HB3  SER   3           2HB      SER   3  10.250 -20.033   2.730
   13    HG   SER   3           HG       SER   3  11.339 -17.599   3.002
   14    H    GLY   4           H        GLY   4   7.249 -17.727   1.312
   15    HA2  GLY   4           1HA      GLY   4   7.288 -15.220   1.476
   16    HA3  GLY   4           2HA      GLY   4   8.299 -15.275   0.039
   17    H    SER   5           H        SER   5   6.981 -17.186  -1.465
   18    HA   SER   5           HA       SER   5   5.185 -15.827  -2.944
   19    HB2  SER   5           1HB      SER   5   6.046 -18.081  -3.511
   20    HB3  SER   5           2HB      SER   5   4.950 -18.781  -2.320
   21    HG   SER   5           HG       SER   5   4.436 -18.223  -4.838
   22    H    SER   6           H        SER   6   4.373 -17.806  -0.112
   23    HA   SER   6           HA       SER   6   1.690 -17.801  -0.041
   24    HB2  SER   6           1HB      SER   6   1.778 -17.806   2.366
   25    HB3  SER   6           2HB      SER   6   3.217 -18.636   1.773
   26    HG   SER   6           HG       SER   6   4.074 -16.280   1.943
   27    H    GLY   7           H        GLY   7   0.119 -16.354  -0.238
   28    HA2  GLY   7           1HA      GLY   7  -0.073 -13.935   1.128
   29    HA3  GLY   7           2HA      GLY   7   0.630 -13.576  -0.442
   30    H    THR   8           H        THR   8  -2.227 -14.121   1.286
   31    HA   THR   8           HA       THR   8  -3.789 -14.563  -1.159
   32    HB   THR   8           HB       THR   8  -5.696 -14.999   0.369
   33    HG1  THR   8           HG1      THR   8  -5.357 -15.041   2.569
   34   HG21  THR   8          3HG2      THR   8  -5.050 -17.122   0.185
   35   HG22  THR   8          1HG2      THR   8  -4.001 -16.919   1.587
   36   HG23  THR   8          2HG2      THR   8  -3.378 -16.609  -0.033
   37    H    LYS   9           H        LYS   9  -5.449 -13.185  -1.776
   38    HA   LYS   9           HA       LYS   9  -5.190 -10.455  -0.779
   39    HB2  LYS   9           1HB      LYS   9  -5.149 -11.063  -3.254
   40    HB3  LYS   9           2HB      LYS   9  -6.871 -11.387  -3.103
   41    HG2  LYS   9           1HG      LYS   9  -6.953  -9.235  -3.819
   42    HG3  LYS   9           2HG      LYS   9  -6.881  -8.954  -2.078
   43    HD2  LYS   9           1HD      LYS   9  -4.496  -8.567  -2.203
   44    HD3  LYS   9           2HD      LYS   9  -4.491  -8.970  -3.922
   45    HE2  LYS   9           1HE      LYS   9  -6.124  -6.717  -2.778
   46    HE3  LYS   9           2HE      LYS   9  -4.465  -6.503  -3.335
   47    HZ1  LYS   9           3HZ      LYS   9  -5.481  -6.053  -5.271
   48    HZ2  LYS   9           1HZ      LYS   9  -6.897  -6.887  -4.867
   49    HZ3  LYS   9           2HZ      LYS   9  -5.548  -7.735  -5.433
   50    H    GLU  10           H        GLU  10  -6.269 -10.887   1.246
   51    HA   GLU  10           HA       GLU  10  -9.014 -11.713   1.269
   52    HB2  GLU  10           1HB      GLU  10  -7.260 -10.486   3.401
   53    HB3  GLU  10           2HB      GLU  10  -8.909 -11.028   3.680
   54    HG2  GLU  10           1HG      GLU  10  -6.777 -12.851   2.617
   55    HG3  GLU  10           2HG      GLU  10  -7.051 -12.612   4.342
   56    H    HIS  11           H        HIS  11  -7.336  -8.622   1.800
   57    HA   HIS  11           HA       HIS  11  -9.912  -7.232   1.599
   58    HB2  HIS  11           1HB      HIS  11  -7.275  -5.978   2.349
   59    HB3  HIS  11           2HB      HIS  11  -8.899  -5.378   2.675
   60    HD1  HIS  11           HD1      HIS  11  -7.220  -5.474   5.072
   61    HD2  HIS  11           HD2      HIS  11  -9.279  -8.834   3.755
   62    HE1  HIS  11           HE1      HIS  11  -7.435  -6.964   7.087
   63    HA   PRO  12           HA       PRO  12  -9.048  -5.852  -2.489
   64    HB2  PRO  12           1HB      PRO  12 -10.602  -3.626  -2.534
   65    HB3  PRO  12           2HB      PRO  12 -11.266  -5.263  -2.598
   66    HG2  PRO  12           1HG      PRO  12 -11.023  -3.406  -0.262
   67    HG3  PRO  12           2HG      PRO  12 -12.383  -4.444  -0.730
   68    HD2  PRO  12           1HD      PRO  12 -10.633  -5.127   1.221
   69    HD3  PRO  12           2HD      PRO  12 -11.419  -6.331   0.179
   70    H    PHE  13           H        PHE  13  -8.244  -4.052   0.306
   71    HA   PHE  13           HA       PHE  13  -6.603  -2.213  -1.310
   72    HB2  PHE  13           1HB      PHE  13  -7.639  -1.733   1.490
   73    HB3  PHE  13           2HB      PHE  13  -6.759  -0.589   0.483
   74    HD1  PHE  13           HD2      PHE  13  -7.853   0.164  -1.690
   75    HD2  PHE  13           HD1      PHE  13  -9.960  -1.842   1.417
   76    HE1  PHE  13           HE2      PHE  13  -9.981   1.004  -2.596
   77    HE2  PHE  13           HE1      PHE  13 -12.092  -1.007   0.515
   78    HZ   PHE  13           HZ       PHE  13 -12.104   0.419  -1.493
   79    H    LYS  14           H        LYS  14  -4.493  -2.550  -1.189
   80    HA   LYS  14           HA       LYS  14  -3.353  -3.604   1.304
   81    HB2  LYS  14           1HB      LYS  14  -3.454  -5.532  -0.081
   82    HB3  LYS  14           2HB      LYS  14  -2.894  -4.639  -1.489
   83    HG2  LYS  14           1HG      LYS  14  -1.099  -4.789   0.870
   84    HG3  LYS  14           2HG      LYS  14  -1.298  -6.234  -0.125
   85    HD2  LYS  14           1HD      LYS  14  -0.852  -4.606  -2.105
   86    HD3  LYS  14           2HD      LYS  14  -0.157  -3.566  -0.859
   87    HE2  LYS  14           1HE      LYS  14   1.359  -5.369  -0.202
   88    HE3  LYS  14           2HE      LYS  14   0.658  -6.413  -1.437
   89    HZ1  LYS  14           3HZ      LYS  14   2.600  -5.546  -2.378
   90    HZ2  LYS  14           1HZ      LYS  14   2.294  -3.979  -1.819
   91    HZ3  LYS  14           2HZ      LYS  14   1.357  -4.630  -3.067
   92    H    CYS  15           H        CYS  15  -1.955  -2.158   2.039
   93    HA   CYS  15           HA       CYS  15  -0.948   0.006   0.588
   94    HB2  CYS  15           1HB      CYS  15  -1.074  -0.050   3.048
   95    HB3  CYS  15           2HB      CYS  15   0.201  -1.265   3.082
   96    H    ASN  16           H        ASN  16   0.860   0.352  -0.590
   97    HA   ASN  16           HA       ASN  16   2.463  -2.001  -1.260
   98    HB2  ASN  16           1HB      ASN  16   2.192   0.695  -2.606
   99    HB3  ASN  16           2HB      ASN  16   3.271  -0.582  -3.160
  100   HD21  ASN  16          1HD2      ASN  16   0.302   0.776  -3.559
  101   HD22  ASN  16          2HD2      ASN  16  -0.515  -0.541  -4.322
  102    H    GLU  17           H        GLU  17   2.627   0.868   0.561
  103    HA   GLU  17           HA       GLU  17   5.432   1.344   0.370
  104    HB2  GLU  17           1HB      GLU  17   3.549   2.154   2.591
  105    HB3  GLU  17           2HB      GLU  17   5.120   2.859   2.237
  106    HG2  GLU  17           1HG      GLU  17   4.012   3.323  -0.103
  107    HG3  GLU  17           2HG      GLU  17   2.525   3.205   0.836
  108    H    CYS  18           H        CYS  18   3.376  -0.534   2.522
  109    HA   CYS  18           HA       CYS  18   5.808  -1.661   3.746
  110    HB2  CYS  18           1HB      CYS  18   4.539  -1.969   5.830
  111    HB3  CYS  18           2HB      CYS  18   4.625  -0.271   5.375
  112    H    GLY  19           H        GLY  19   2.434  -2.244   2.836
  113    HA2  GLY  19           1HA      GLY  19   2.065  -4.287   1.488
  114    HA3  GLY  19           2HA      GLY  19   3.095  -5.119   2.644
  115    H    LYS  20           H        LYS  20   1.004  -2.791   4.000
  116    HA   LYS  20           HA       LYS  20  -0.408  -4.781   5.483
  117    HB2  LYS  20           1HB      LYS  20  -0.367  -1.809   5.375
  118    HB3  LYS  20           2HB      LYS  20  -1.798  -2.571   6.057
  119    HG2  LYS  20           1HG      LYS  20  -0.107  -3.900   7.496
  120    HG3  LYS  20           2HG      LYS  20   1.020  -2.618   7.046
  121    HD2  LYS  20           1HD      LYS  20  -0.343  -0.951   8.049
  122    HD3  LYS  20           2HD      LYS  20  -1.689  -2.076   8.245
  123    HE2  LYS  20           1HE      LYS  20  -0.263  -3.403   9.797
  124    HE3  LYS  20           2HE      LYS  20   0.963  -2.142   9.679
  125    HZ1  LYS  20           3HZ      LYS  20  -0.133  -0.879  11.121
  126    HZ2  LYS  20           1HZ      LYS  20  -1.097  -2.226  11.466
  127    HZ3  LYS  20           2HZ      LYS  20  -1.612  -1.088  10.326
  128    H    THR  21           H        THR  21  -2.888  -4.533   5.683
  129    HA   THR  21           HA       THR  21  -4.161  -4.056   3.093
  130    HB   THR  21           HB       THR  21  -5.430  -6.218   3.315
  131    HG1  THR  21           HG1      THR  21  -4.233  -7.824   4.618
  132   HG21  THR  21          3HG2      THR  21  -2.764  -7.281   3.033
  133   HG22  THR  21          1HG2      THR  21  -2.900  -5.717   2.230
  134   HG23  THR  21          2HG2      THR  21  -4.002  -7.026   1.804
  135    H    PHE  22           H        PHE  22  -6.229  -3.325   3.232
  136    HA   PHE  22           HA       PHE  22  -7.557  -3.399   5.848
  137    HB2  PHE  22           1HB      PHE  22  -7.508  -0.907   4.149
  138    HB3  PHE  22           2HB      PHE  22  -8.079  -1.077   5.805
  139    HD1  PHE  22           HD2      PHE  22  -4.999  -1.364   3.740
  140    HD2  PHE  22           HD1      PHE  22  -6.678  -0.549   7.566
  141    HE1  PHE  22           HE2      PHE  22  -2.780  -0.699   4.568
  142    HE2  PHE  22           HE1      PHE  22  -4.461   0.119   8.400
  143    HZ   PHE  22           HZ       PHE  22  -2.509   0.044   6.901
  144    H    SER  23           H        SER  23  -9.709  -3.750   5.772
  145    HA   SER  23           HA       SER  23 -10.903  -4.772   3.470
  146    HB2  SER  23           1HB      SER  23 -12.215  -3.649   5.956
  147    HB3  SER  23           2HB      SER  23 -13.036  -4.623   4.737
  148    HG   SER  23           HG       SER  23 -12.287  -5.854   6.543
  149    H    HIS  24           H        HIS  24 -11.119  -1.547   4.911
  150    HA   HIS  24           HA       HIS  24 -12.570  -0.632   2.519
  151    HB2  HIS  24           1HB      HIS  24 -12.625   0.190   5.378
  152    HB3  HIS  24           2HB      HIS  24 -12.859   1.451   4.170
  153    HD1  HIS  24           HD1      HIS  24 -14.485  -1.579   5.626
  154    HD2  HIS  24           HD2      HIS  24 -15.273   1.315   2.752
  155    HE1  HIS  24           HE1      HIS  24 -16.920  -1.843   5.057
  156    H    SER  25           H        SER  25 -12.006   1.477   1.658
  157    HA   SER  25           HA       SER  25  -9.194   1.766   1.337
  158    HB2  SER  25           1HB      SER  25  -9.742   3.638  -0.123
  159    HB3  SER  25           2HB      SER  25 -10.835   2.294  -0.450
  160    HG   SER  25           HG       SER  25 -11.359   4.686   0.964
  161    H    ALA  26           H        ALA  26 -11.656   3.907   2.774
  162    HA   ALA  26           HA       ALA  26 -10.293   6.032   3.625
  163    HB1  ALA  26           3HB      ALA  26 -11.760   6.240   5.485
  164    HB2  ALA  26           1HB      ALA  26 -12.667   5.451   4.195
  165    HB3  ALA  26           2HB      ALA  26 -12.039   4.500   5.540
  166    H    HIS  27           H        HIS  27 -10.025   2.817   5.060
  167    HA   HIS  27           HA       HIS  27  -8.354   3.565   7.219
  168    HB2  HIS  27           1HB      HIS  27  -8.611   0.883   5.842
  169    HB3  HIS  27           2HB      HIS  27  -7.870   1.161   7.415
  170    HD1  HIS  27           HD1      HIS  27 -10.778  -0.231   6.212
  171    HD2  HIS  27           HD2      HIS  27 -10.076   2.744   9.026
  172    HE1  HIS  27           HE1      HIS  27 -12.849  -0.151   7.637
  173    H    LEU  28           H        LEU  28  -7.610   2.086   4.065
  174    HA   LEU  28           HA       LEU  28  -4.836   1.998   4.355
  175    HB2  LEU  28           1HB      LEU  28  -5.814   0.780   2.589
  176    HB3  LEU  28           2HB      LEU  28  -6.611   2.213   1.942
  177    HG   LEU  28           HG       LEU  28  -4.398   3.093   1.271
  178   HD11  LEU  28          1HD1      LEU  28  -3.505   0.588   2.598
  179   HD12  LEU  28          2HD1      LEU  28  -2.766   2.189   2.585
  180   HD13  LEU  28          3HD1      LEU  28  -2.628   1.144   1.172
  181   HD21  LEU  28          3HD2      LEU  28  -4.312   1.888  -0.696
  182   HD22  LEU  28          1HD2      LEU  28  -5.942   1.532  -0.125
  183   HD23  LEU  28          2HD2      LEU  28  -4.651   0.353   0.105
  184    H    SER  29           H        SER  29  -6.724   4.408   2.518
  185    HA   SER  29           HA       SER  29  -4.734   6.165   1.874
  186    HB2  SER  29           1HB      SER  29  -6.908   6.586   1.017
  187    HB3  SER  29           2HB      SER  29  -7.608   6.689   2.632
  188    HG   SER  29           HG       SER  29  -5.571   8.481   2.014
  189    H    LYS  30           H        LYS  30  -6.460   5.926   4.946
  190    HA   LYS  30           HA       LYS  30  -5.221   8.203   6.127
  191    HB2  LYS  30           1HB      LYS  30  -7.401   6.862   6.782
  192    HB3  LYS  30           2HB      LYS  30  -6.278   5.955   7.786
  193    HG2  LYS  30           1HG      LYS  30  -5.652   7.932   8.982
  194    HG3  LYS  30           2HG      LYS  30  -6.590   8.947   7.884
  195    HD2  LYS  30           1HD      LYS  30  -8.549   7.345   8.664
  196    HD3  LYS  30           2HD      LYS  30  -7.505   7.152  10.075
  197    HE2  LYS  30           1HE      LYS  30  -8.833   8.944  10.686
  198    HE3  LYS  30           2HE      LYS  30  -7.403   9.744  10.036
  199    HZ1  LYS  30           3HZ      LYS  30 -10.082   9.485   8.841
  200    HZ2  LYS  30           1HZ      LYS  30  -8.733   9.717   7.846
  201    HZ3  LYS  30           2HZ      LYS  30  -9.123  10.867   9.023
  202    H    HIS  31           H        HIS  31  -4.560   4.734   6.165
  203    HA   HIS  31           HA       HIS  31  -2.442   4.883   8.062
  204    HB2  HIS  31           1HB      HIS  31  -3.298   2.744   7.941
  205    HB3  HIS  31           2HB      HIS  31  -3.489   2.805   6.191
  206    HD1  HIS  31           HD1      HIS  31  -0.973   2.065   8.861
  207    HD2  HIS  31           HD2      HIS  31  -1.263   1.986   4.717
  208    HE1  HIS  31           HE1      HIS  31   1.059   0.813   8.069
  209    H    GLN  32           H        GLN  32  -2.678   5.759   4.807
  210    HA   GLN  32           HA       GLN  32   0.056   5.231   4.083
  211    HB2  GLN  32           1HB      GLN  32  -2.175   6.773   2.769
  212    HB3  GLN  32           2HB      GLN  32  -0.550   6.718   2.098
  213    HG2  GLN  32           1HG      GLN  32  -0.924   4.114   2.361
  214    HG3  GLN  32           2HG      GLN  32  -2.616   4.598   2.256
  215   HE21  GLN  32          1HE2      GLN  32  -0.025   3.615   0.508
  216   HE22  GLN  32          2HE2      GLN  32  -0.464   4.234  -1.043
  217    H    LEU  33           H        LEU  33  -1.786   7.936   5.333
  218    HA   LEU  33           HA       LEU  33   0.022  10.007   4.855
  219    HB2  LEU  33           1HB      LEU  33  -1.817   9.657   7.218
  220    HB3  LEU  33           2HB      LEU  33  -1.070  11.169   6.706
  221    HG   LEU  33           HG       LEU  33  -2.986   9.628   4.969
  222   HD11  LEU  33          1HD1      LEU  33  -3.553  11.066   7.373
  223   HD12  LEU  33          2HD1      LEU  33  -4.665  10.253   6.272
  224   HD13  LEU  33          3HD1      LEU  33  -4.222  11.937   5.993
  225   HD21  LEU  33          3HD2      LEU  33  -2.819  11.330   3.511
  226   HD22  LEU  33          1HD2      LEU  33  -1.281  11.629   4.320
  227   HD23  LEU  33          2HD2      LEU  33  -2.713  12.548   4.783
  228    H    ILE  34           H        ILE  34   0.277   7.322   6.935
  229    HA   ILE  34           HA       ILE  34   2.067   8.519   8.840
  230    HB   ILE  34           HB       ILE  34   2.111   6.496   9.927
  231   HG12  ILE  34          1HG1      ILE  34   1.721   5.182   7.233
  232   HG13  ILE  34          2HG1      ILE  34   3.178   5.173   8.219
  233   HG21  ILE  34          1HG2      ILE  34  -0.306   7.353   9.153
  234   HG22  ILE  34          2HG2      ILE  34  -0.343   5.725   8.476
  235   HG23  ILE  34          3HG2      ILE  34  -0.069   5.956  10.203
  236   HD11  ILE  34          3HD1      ILE  34   1.368   4.080   9.921
  237   HD12  ILE  34          1HD1      ILE  34   0.795   3.490   8.362
  238   HD13  ILE  34          2HD1      ILE  34   2.452   3.168   8.872
  239    H    HIS  35           H        HIS  35   2.356   6.802   5.817
  240    HA   HIS  35           HA       HIS  35   5.148   6.234   6.062
  241    HB2  HIS  35           1HB      HIS  35   3.188   6.162   3.781
  242    HB3  HIS  35           2HB      HIS  35   4.908   5.901   3.509
  243    HD1  HIS  35           HD1      HIS  35   5.829   3.985   5.466
  244    HD2  HIS  35           HD2      HIS  35   1.947   3.785   3.999
  245    HE1  HIS  35           HE1      HIS  35   5.075   1.622   5.880
  246    H    ALA  36           H        ALA  36   3.236   8.868   4.772
  247    HA   ALA  36           HA       ALA  36   5.581  10.172   3.640
  248    HB1  ALA  36           3HB      ALA  36   2.989  10.137   2.847
  249    HB2  ALA  36           1HB      ALA  36   3.054  11.666   3.724
  250    HB3  ALA  36           2HB      ALA  36   4.159  11.372   2.380
  251    H    GLY  37           H        GLY  37   6.355  10.088   6.045
  252    HA2  GLY  37           1HA      GLY  37   5.353  12.424   7.524
  253    HA3  GLY  37           2HA      GLY  37   6.329  11.127   8.199
  254    H    GLU  38           H        GLU  38   6.368  14.276   7.148
  255    HA   GLU  38           HA       GLU  38   9.202  14.481   7.484
  256    HB2  GLU  38           1HB      GLU  38   9.758  15.337   5.283
  257    HB3  GLU  38           2HB      GLU  38   9.092  13.717   5.139
  258    HG2  GLU  38           1HG      GLU  38   6.860  14.873   4.676
  259    HG3  GLU  38           2HG      GLU  38   7.818  16.333   4.433
  260    H    ASN  39           H        ASN  39   9.919  16.642   7.690
  261    HA   ASN  39           HA       ASN  39   7.772  18.657   7.754
  262    HB2  ASN  39           1HB      ASN  39   9.021  19.629   9.755
  263    HB3  ASN  39           2HB      ASN  39   8.133  18.134  10.036
  264   HD21  ASN  39          1HD2      ASN  39   9.790  18.421  11.897
  265   HD22  ASN  39          2HD2      ASN  39  11.269  17.551  11.691
  266    HA   PRO  40           HA       PRO  40  10.462  21.108   5.277
  267    HB2  PRO  40           1HB      PRO  40   9.426  23.559   5.817
  268    HB3  PRO  40           2HB      PRO  40   8.609  22.376   4.788
  269    HG2  PRO  40           1HG      PRO  40   8.133  23.028   7.671
  270    HG3  PRO  40           2HG      PRO  40   6.953  22.743   6.379
  271    HD2  PRO  40           1HD      PRO  40   7.604  20.850   8.203
  272    HD3  PRO  40           2HD      PRO  40   7.151  20.451   6.533
  273    H    SER  41           H        SER  41  12.469  20.895   6.273
  274    HA   SER  41           HA       SER  41  13.289  23.184   7.864
  275    HB2  SER  41           1HB      SER  41  14.423  21.742   9.552
  276    HB3  SER  41           2HB      SER  41  12.666  21.609   9.602
  277    HG   SER  41           HG       SER  41  13.993  19.591   9.625
  278    H    GLY  42           H        GLY  42  15.042  23.953   6.902
  279    HA2  GLY  42           1HA      GLY  42  17.386  23.678   6.389
  280    HA3  GLY  42           2HA      GLY  42  17.030  22.038   5.868
  281    HA   PRO  43           HA       PRO  43  17.225  24.964   2.196
  282    HB2  PRO  43           1HB      PRO  43  19.264  23.704   0.923
  283    HB3  PRO  43           2HB      PRO  43  19.520  24.993   2.105
  284    HG2  PRO  43           1HG      PRO  43  19.704  22.028   2.468
  285    HG3  PRO  43           2HG      PRO  43  20.781  23.298   3.075
  286    HD2  PRO  43           1HD      PRO  43  18.900  22.119   4.625
  287    HD3  PRO  43           2HD      PRO  43  19.387  23.813   4.837
  288    H    SER  44           H        SER  44  16.399  21.859   2.944
  289    HA   SER  44           HA       SER  44  16.285  20.439   0.583
  290    HB2  SER  44           1HB      SER  44  14.562  20.488   3.032
  291    HB3  SER  44           2HB      SER  44  14.055  19.525   1.645
  292    HG   SER  44           HG       SER  44  16.174  18.535   1.751
  293    H    SER  45           H        SER  45  14.359  19.964  -0.772
  294    HA   SER  45           HA       SER  45  12.365  22.033  -1.032
  295    HB2  SER  45           1HB      SER  45  12.951  22.715  -3.287
  296    HB3  SER  45           2HB      SER  45  14.331  22.996  -2.225
  297    HG   SER  45           HG       SER  45  14.897  21.973  -4.220
  298    H    GLY  46           H        GLY  46  11.023  21.575  -3.118
  299    HA2  GLY  46           1HA      GLY  46  10.510  19.716  -4.711
  300    HA3  GLY  46           2HA      GLY  46  10.732  18.642  -3.338
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  16.838 -11.591   3.286
    2    HA2  GLY   1           1HA      GLY   1  16.740  -8.787   3.368
    3    HA3  GLY   1           2HA      GLY   1  17.100  -9.272   1.718
    4    H    SER   2           H        SER   2  14.757  -7.893   2.598
    5    HA   SER   2           HA       SER   2  12.770  -9.673   1.477
    6    HB2  SER   2           1HB      SER   2  12.634  -8.691   4.320
    7    HB3  SER   2           2HB      SER   2  11.170  -9.072   3.415
    8    HG   SER   2           HG       SER   2  11.755 -10.925   4.452
    9    H    SER   3           H        SER   3  11.032  -8.597   0.560
   10    HA   SER   3           HA       SER   3  10.737  -5.737   0.942
   11    HB2  SER   3           1HB      SER   3  11.886  -6.951  -1.537
   12    HB3  SER   3           2HB      SER   3  10.809  -5.564  -1.700
   13    HG   SER   3           HG       SER   3  12.217  -4.321  -0.602
   14    H    GLY   4           H        GLY   4   8.620  -5.640   1.327
   15    HA2  GLY   4           1HA      GLY   4   6.354  -5.816   1.007
   16    HA3  GLY   4           2HA      GLY   4   6.711  -6.155  -0.680
   17    H    SER   5           H        SER   5   4.985  -7.321   1.702
   18    HA   SER   5           HA       SER   5   5.661 -10.140   1.178
   19    HB2  SER   5           1HB      SER   5   4.449 -10.652   3.276
   20    HB3  SER   5           2HB      SER   5   5.806  -9.558   3.546
   21    HG   SER   5           HG       SER   5   4.143  -7.841   3.332
   22    H    SER   6           H        SER   6   4.497 -10.219  -0.781
   23    HA   SER   6           HA       SER   6   1.573  -9.989  -0.503
   24    HB2  SER   6           1HB      SER   6   1.577  -9.841  -3.017
   25    HB3  SER   6           2HB      SER   6   2.370  -8.491  -2.206
   26    HG   SER   6           HG       SER   6   3.962 -10.666  -2.894
   27    H    GLY   7           H        GLY   7   0.813 -11.951   0.021
   28    HA2  GLY   7           1HA      GLY   7   1.424 -14.160  -1.814
   29    HA3  GLY   7           2HA      GLY   7   1.640 -14.419  -0.090
   30    H    THR   8           H        THR   8  -0.601 -12.942   0.814
   31    HA   THR   8           HA       THR   8  -2.789 -14.646  -0.188
   32    HB   THR   8           HB       THR   8  -3.803 -14.484   2.050
   33    HG1  THR   8           HG1      THR   8  -2.167 -13.699   3.710
   34   HG21  THR   8          3HG2      THR   8  -1.194 -15.734   1.522
   35   HG22  THR   8          1HG2      THR   8  -2.691 -16.446   2.123
   36   HG23  THR   8          2HG2      THR   8  -1.617 -15.588   3.228
   37    H    LYS   9           H        LYS   9  -4.655 -13.709  -0.811
   38    HA   LYS   9           HA       LYS   9  -4.813 -10.778  -0.605
   39    HB2  LYS   9           1HB      LYS   9  -4.741 -11.981  -2.888
   40    HB3  LYS   9           2HB      LYS   9  -6.397 -12.457  -2.534
   41    HG2  LYS   9           1HG      LYS   9  -6.855  -9.973  -2.181
   42    HG3  LYS   9           2HG      LYS   9  -5.295  -9.702  -2.961
   43    HD2  LYS   9           1HD      LYS   9  -6.061 -10.903  -4.939
   44    HD3  LYS   9           2HD      LYS   9  -7.609 -11.230  -4.157
   45    HE2  LYS   9           1HE      LYS   9  -6.615  -8.424  -4.506
   46    HE3  LYS   9           2HE      LYS   9  -7.443  -9.261  -5.818
   47    HZ1  LYS   9           3HZ      LYS   9  -9.131  -8.148  -4.711
   48    HZ2  LYS   9           1HZ      LYS   9  -8.499  -8.476  -3.177
   49    HZ3  LYS   9           2HZ      LYS   9  -9.235  -9.709  -4.069
   50    H    GLU  10           H        GLU  10  -5.891 -10.487   1.302
   51    HA   GLU  10           HA       GLU  10  -8.446 -11.885   1.665
   52    HB2  GLU  10           1HB      GLU  10  -6.517 -10.563   3.525
   53    HB3  GLU  10           2HB      GLU  10  -8.210 -10.657   3.989
   54    HG2  GLU  10           1HG      GLU  10  -6.916 -12.503   4.909
   55    HG3  GLU  10           2HG      GLU  10  -8.159 -13.071   3.795
   56    H    HIS  11           H        HIS  11  -7.055  -8.617   1.938
   57    HA   HIS  11           HA       HIS  11  -9.754  -7.510   1.571
   58    HB2  HIS  11           1HB      HIS  11  -7.261  -6.138   2.598
   59    HB3  HIS  11           2HB      HIS  11  -8.873  -5.433   2.515
   60    HD1  HIS  11           HD1      HIS  11  -8.208  -5.153   5.189
   61    HD2  HIS  11           HD2      HIS  11  -9.227  -8.943   3.825
   62    HE1  HIS  11           HE1      HIS  11  -8.815  -6.467   7.245
   63    HA   PRO  12           HA       PRO  12  -8.747  -6.117  -2.476
   64    HB2  PRO  12           1HB      PRO  12 -10.444  -4.006  -2.666
   65    HB3  PRO  12           2HB      PRO  12 -10.990  -5.686  -2.729
   66    HG2  PRO  12           1HG      PRO  12 -11.015  -3.772  -0.428
   67    HG3  PRO  12           2HG      PRO  12 -12.270  -4.910  -0.950
   68    HD2  PRO  12           1HD      PRO  12 -10.599  -5.431   1.115
   69    HD3  PRO  12           2HD      PRO  12 -11.237  -6.707   0.059
   70    H    PHE  13           H        PHE  13  -8.123  -4.304   0.317
   71    HA   PHE  13           HA       PHE  13  -6.596  -2.324  -1.243
   72    HB2  PHE  13           1HB      PHE  13  -7.775  -1.977   1.522
   73    HB3  PHE  13           2HB      PHE  13  -6.870  -0.763   0.623
   74    HD1  PHE  13           HD2      PHE  13  -7.842   0.067  -1.569
   75    HD2  PHE  13           HD1      PHE  13 -10.080  -2.182   1.268
   76    HE1  PHE  13           HE2      PHE  13  -9.933   0.873  -2.585
   77    HE2  PHE  13           HE1      PHE  13 -12.175  -1.380   0.256
   78    HZ   PHE  13           HZ       PHE  13 -12.103   0.151  -1.672
   79    H    LYS  14           H        LYS  14  -4.462  -2.371  -1.009
   80    HA   LYS  14           HA       LYS  14  -3.310  -3.457   1.460
   81    HB2  LYS  14           1HB      LYS  14  -3.246  -5.315  -0.062
   82    HB3  LYS  14           2HB      LYS  14  -2.604  -4.305  -1.351
   83    HG2  LYS  14           1HG      LYS  14  -0.667  -3.932   0.421
   84    HG3  LYS  14           2HG      LYS  14  -1.234  -5.505   0.985
   85    HD2  LYS  14           1HD      LYS  14  -0.867  -6.477  -1.181
   86    HD3  LYS  14           2HD      LYS  14  -0.490  -4.898  -1.874
   87    HE2  LYS  14           1HE      LYS  14   1.115  -5.900   0.432
   88    HE3  LYS  14           2HE      LYS  14   1.422  -6.556  -1.176
   89    HZ1  LYS  14           3HZ      LYS  14   1.836  -4.334  -1.986
   90    HZ2  LYS  14           1HZ      LYS  14   2.845  -4.656  -0.666
   91    HZ3  LYS  14           2HZ      LYS  14   1.483  -3.672  -0.470
   92    H    CYS  15           H        CYS  15  -1.812  -2.150   2.272
   93    HA   CYS  15           HA       CYS  15  -1.084   0.276   1.083
   94    HB2  CYS  15           1HB      CYS  15  -1.004  -0.241   3.533
   95    HB3  CYS  15           2HB      CYS  15   0.443  -1.199   3.237
   96    H    ASN  16           H        ASN  16   0.137   0.572  -0.651
   97    HA   ASN  16           HA       ASN  16   2.019  -1.426  -1.530
   98    HB2  ASN  16           1HB      ASN  16   0.487   0.188  -2.945
   99    HB3  ASN  16           2HB      ASN  16   1.850   1.291  -2.774
  100   HD21  ASN  16          1HD2      ASN  16   0.731  -0.092  -5.126
  101   HD22  ASN  16          2HD2      ASN  16   2.055  -0.956  -5.823
  102    H    GLU  17           H        GLU  17   2.335   0.442   0.948
  103    HA   GLU  17           HA       GLU  17   5.029   1.432   0.300
  104    HB2  GLU  17           1HB      GLU  17   3.291   2.187   2.654
  105    HB3  GLU  17           2HB      GLU  17   4.815   2.931   2.190
  106    HG2  GLU  17           1HG      GLU  17   3.572   3.426  -0.044
  107    HG3  GLU  17           2HG      GLU  17   2.125   3.182   0.933
  108    H    CYS  18           H        CYS  18   3.182  -0.628   2.433
  109    HA   CYS  18           HA       CYS  18   5.710  -1.667   3.526
  110    HB2  CYS  18           1HB      CYS  18   4.609  -2.027   5.688
  111    HB3  CYS  18           2HB      CYS  18   4.593  -0.323   5.248
  112    H    GLY  19           H        GLY  19   2.364  -2.285   2.626
  113    HA2  GLY  19           1HA      GLY  19   1.957  -4.326   1.332
  114    HA3  GLY  19           2HA      GLY  19   3.044  -5.154   2.437
  115    H    LYS  20           H        LYS  20   1.020  -2.900   3.964
  116    HA   LYS  20           HA       LYS  20  -0.308  -4.920   5.462
  117    HB2  LYS  20           1HB      LYS  20  -0.337  -1.949   5.366
  118    HB3  LYS  20           2HB      LYS  20  -1.733  -2.740   6.088
  119    HG2  LYS  20           1HG      LYS  20   0.179  -4.064   7.376
  120    HG3  LYS  20           2HG      LYS  20   1.062  -2.573   7.043
  121    HD2  LYS  20           1HD      LYS  20   0.099  -1.985   9.023
  122    HD3  LYS  20           2HD      LYS  20  -1.197  -1.492   7.931
  123    HE2  LYS  20           1HE      LYS  20  -2.242  -3.728   8.279
  124    HE3  LYS  20           2HE      LYS  20  -1.009  -4.063   9.494
  125    HZ1  LYS  20           3HZ      LYS  20  -1.882  -1.789  10.440
  126    HZ2  LYS  20           1HZ      LYS  20  -2.652  -3.249  10.811
  127    HZ3  LYS  20           2HZ      LYS  20  -3.290  -2.237   9.615
  128    H    THR  21           H        THR  21  -2.869  -4.298   5.783
  129    HA   THR  21           HA       THR  21  -4.196  -4.043   3.214
  130    HB   THR  21           HB       THR  21  -5.428  -6.144   3.396
  131    HG1  THR  21           HG1      THR  21  -4.530  -7.700   4.985
  132   HG21  THR  21          3HG2      THR  21  -3.376  -6.149   2.081
  133   HG22  THR  21          1HG2      THR  21  -3.595  -7.703   2.884
  134   HG23  THR  21          2HG2      THR  21  -2.436  -6.537   3.521
  135    H    PHE  22           H        PHE  22  -6.350  -3.454   3.374
  136    HA   PHE  22           HA       PHE  22  -7.558  -3.323   6.030
  137    HB2  PHE  22           1HB      PHE  22  -7.469  -0.894   4.239
  138    HB3  PHE  22           2HB      PHE  22  -8.064  -0.988   5.893
  139    HD1  PHE  22           HD2      PHE  22  -4.958  -1.484   3.902
  140    HD2  PHE  22           HD1      PHE  22  -6.682  -0.368   7.630
  141    HE1  PHE  22           HE2      PHE  22  -2.734  -0.840   4.734
  142    HE2  PHE  22           HE1      PHE  22  -4.460   0.279   8.467
  143    HZ   PHE  22           HZ       PHE  22  -2.483   0.042   7.019
  144    H    SER  23           H        SER  23  -9.735  -3.577   6.028
  145    HA   SER  23           HA       SER  23 -11.028  -4.739   3.879
  146    HB2  SER  23           1HB      SER  23 -13.104  -4.407   5.115
  147    HB3  SER  23           2HB      SER  23 -11.814  -4.856   6.230
  148    HG   SER  23           HG       SER  23 -12.620  -3.142   7.222
  149    H    HIS  24           H        HIS  24 -11.332  -1.375   5.013
  150    HA   HIS  24           HA       HIS  24 -12.571  -0.680   2.443
  151    HB2  HIS  24           1HB      HIS  24 -12.655   0.542   5.177
  152    HB3  HIS  24           2HB      HIS  24 -12.972   1.550   3.768
  153    HD1  HIS  24           HD1      HIS  24 -15.159   0.981   5.875
  154    HD2  HIS  24           HD2      HIS  24 -14.653  -1.185   2.366
  155    HE1  HIS  24           HE1      HIS  24 -17.398  -0.062   5.400
  156    H    SER  25           H        SER  25 -11.967   1.458   1.522
  157    HA   SER  25           HA       SER  25  -9.142   1.595   1.180
  158    HB2  SER  25           1HB      SER  25 -10.752   2.122  -0.632
  159    HB3  SER  25           2HB      SER  25 -11.262   3.554   0.263
  160    HG   SER  25           HG       SER  25  -9.726   4.212  -1.187
  161    H    ALA  26           H        ALA  26 -11.502   3.910   2.516
  162    HA   ALA  26           HA       ALA  26 -10.019   5.994   3.283
  163    HB1  ALA  26           3HB      ALA  26 -12.464   4.937   4.092
  164    HB2  ALA  26           1HB      ALA  26 -11.554   5.176   5.585
  165    HB3  ALA  26           2HB      ALA  26 -11.812   6.529   4.483
  166    H    HIS  27           H        HIS  27 -10.027   2.860   4.924
  167    HA   HIS  27           HA       HIS  27  -8.362   3.577   7.076
  168    HB2  HIS  27           1HB      HIS  27  -8.751   0.886   5.751
  169    HB3  HIS  27           2HB      HIS  27  -7.958   1.139   7.303
  170    HD1  HIS  27           HD1      HIS  27 -11.045   0.058   6.065
  171    HD2  HIS  27           HD2      HIS  27  -9.955   2.720   9.062
  172    HE1  HIS  27           HE1      HIS  27 -13.055   0.241   7.565
  173    H    LEU  28           H        LEU  28  -7.610   2.131   3.920
  174    HA   LEU  28           HA       LEU  28  -4.837   1.885   4.328
  175    HB2  LEU  28           1HB      LEU  28  -5.796   0.661   2.559
  176    HB3  LEU  28           2HB      LEU  28  -6.537   2.100   1.861
  177    HG   LEU  28           HG       LEU  28  -4.345   2.899   1.152
  178   HD11  LEU  28          1HD1      LEU  28  -3.309   1.391   3.132
  179   HD12  LEU  28          2HD1      LEU  28  -2.374   2.008   1.770
  180   HD13  LEU  28          3HD1      LEU  28  -2.988   0.355   1.741
  181   HD21  LEU  28          3HD2      LEU  28  -4.113   1.488  -0.676
  182   HD22  LEU  28          1HD2      LEU  28  -5.777   1.199  -0.165
  183   HD23  LEU  28          2HD2      LEU  28  -4.511   0.046   0.259
  184    H    SER  29           H        SER  29  -6.567   4.313   2.363
  185    HA   SER  29           HA       SER  29  -4.489   5.980   1.757
  186    HB2  SER  29           1HB      SER  29  -6.085   7.701   1.368
  187    HB3  SER  29           2HB      SER  29  -6.928   6.186   1.047
  188    HG   SER  29           HG       SER  29  -7.580   8.088   2.774
  189    H    LYS  30           H        LYS  30  -6.377   5.924   4.747
  190    HA   LYS  30           HA       LYS  30  -5.133   8.181   5.929
  191    HB2  LYS  30           1HB      LYS  30  -7.335   6.855   6.548
  192    HB3  LYS  30           2HB      LYS  30  -6.242   5.970   7.604
  193    HG2  LYS  30           1HG      LYS  30  -5.878   7.765   8.968
  194    HG3  LYS  30           2HG      LYS  30  -6.193   8.941   7.690
  195    HD2  LYS  30           1HD      LYS  30  -8.605   8.223   7.777
  196    HD3  LYS  30           2HD      LYS  30  -8.201   7.300   9.227
  197    HE2  LYS  30           1HE      LYS  30  -8.904   9.258  10.179
  198    HE3  LYS  30           2HE      LYS  30  -7.184   9.603   9.999
  199    HZ1  LYS  30           3HZ      LYS  30  -9.347  10.468   8.157
  200    HZ2  LYS  30           1HZ      LYS  30  -7.696  10.751   7.915
  201    HZ3  LYS  30           2HZ      LYS  30  -8.491  11.457   9.230
  202    H    HIS  31           H        HIS  31  -4.547   4.694   6.179
  203    HA   HIS  31           HA       HIS  31  -2.462   4.890   8.088
  204    HB2  HIS  31           1HB      HIS  31  -3.326   2.753   8.005
  205    HB3  HIS  31           2HB      HIS  31  -3.474   2.766   6.250
  206    HD1  HIS  31           HD1      HIS  31  -1.041   2.065   9.002
  207    HD2  HIS  31           HD2      HIS  31  -1.208   1.909   4.853
  208    HE1  HIS  31           HE1      HIS  31   1.003   0.781   8.294
  209    H    GLN  32           H        GLN  32  -2.593   5.669   4.802
  210    HA   GLN  32           HA       GLN  32   0.154   5.099   4.172
  211    HB2  GLN  32           1HB      GLN  32  -2.074   6.542   2.767
  212    HB3  GLN  32           2HB      GLN  32  -0.426   6.632   2.161
  213    HG2  GLN  32           1HG      GLN  32  -0.591   4.002   2.383
  214    HG3  GLN  32           2HG      GLN  32  -2.311   4.346   2.212
  215   HE21  GLN  32          1HE2      GLN  32  -2.023   3.073   0.236
  216   HE22  GLN  32          2HE2      GLN  32  -1.500   3.880  -1.199
  217    H    LEU  33           H        LEU  33  -1.677   7.827   5.361
  218    HA   LEU  33           HA       LEU  33   0.159   9.878   4.864
  219    HB2  LEU  33           1HB      LEU  33  -1.799   9.557   7.133
  220    HB3  LEU  33           2HB      LEU  33  -0.950  11.051   6.743
  221    HG   LEU  33           HG       LEU  33  -2.837   9.669   4.843
  222   HD11  LEU  33          1HD1      LEU  33  -3.381  11.327   7.179
  223   HD12  LEU  33          2HD1      LEU  33  -4.466  10.318   6.224
  224   HD13  LEU  33          3HD1      LEU  33  -4.087  11.956   5.690
  225   HD21  LEU  33          3HD2      LEU  33  -1.406  12.304   4.883
  226   HD22  LEU  33          1HD2      LEU  33  -2.881  12.075   3.944
  227   HD23  LEU  33          2HD2      LEU  33  -1.459  11.086   3.607
  228    H    ILE  34           H        ILE  34   0.257   7.274   7.096
  229    HA   ILE  34           HA       ILE  34   2.014   8.467   9.005
  230    HB   ILE  34           HB       ILE  34   2.047   6.441  10.093
  231   HG12  ILE  34          1HG1      ILE  34   1.725   5.129   7.389
  232   HG13  ILE  34          2HG1      ILE  34   3.157   5.120   8.412
  233   HG21  ILE  34          1HG2      ILE  34  -0.307   7.287   9.577
  234   HG22  ILE  34          2HG2      ILE  34  -0.404   5.950   8.432
  235   HG23  ILE  34          3HG2      ILE  34  -0.150   5.626  10.147
  236   HD11  ILE  34          3HD1      ILE  34   2.461   3.190   9.230
  237   HD12  ILE  34          1HD1      ILE  34   1.120   4.050   9.986
  238   HD13  ILE  34          2HD1      ILE  34   0.918   3.330   8.388
  239    H    HIS  35           H        HIS  35   2.426   6.766   5.991
  240    HA   HIS  35           HA       HIS  35   5.227   6.249   6.352
  241    HB2  HIS  35           1HB      HIS  35   3.356   6.065   3.999
  242    HB3  HIS  35           2HB      HIS  35   5.089   5.803   3.822
  243    HD1  HIS  35           HD1      HIS  35   6.003   3.894   5.673
  244    HD2  HIS  35           HD2      HIS  35   2.029   3.768   4.471
  245    HE1  HIS  35           HE1      HIS  35   5.216   1.564   6.198
  246    H    ALA  36           H        ALA  36   3.281   8.774   4.895
  247    HA   ALA  36           HA       ALA  36   5.603  10.104   3.766
  248    HB1  ALA  36           3HB      ALA  36   3.307  11.770   3.676
  249    HB2  ALA  36           1HB      ALA  36   4.104  10.919   2.352
  250    HB3  ALA  36           2HB      ALA  36   2.812  10.130   3.259
  251    H    GLY  37           H        GLY  37   6.832  10.674   5.570
  252    HA2  GLY  37           1HA      GLY  37   5.738  12.068   7.807
  253    HA3  GLY  37           2HA      GLY  37   7.445  11.887   7.430
  254    H    GLU  38           H        GLU  38   4.695  13.942   7.292
  255    HA   GLU  38           HA       GLU  38   5.991  15.893   5.572
  256    HB2  GLU  38           1HB      GLU  38   3.312  15.808   6.952
  257    HB3  GLU  38           2HB      GLU  38   3.888  17.235   6.102
  258    HG2  GLU  38           1HG      GLU  38   3.726  16.243   4.037
  259    HG3  GLU  38           2HG      GLU  38   3.860  14.612   4.692
  260    H    ASN  39           H        ASN  39   7.636  16.936   6.527
  261    HA   ASN  39           HA       ASN  39   7.041  18.529   8.890
  262    HB2  ASN  39           1HB      ASN  39   9.616  16.987   8.872
  263    HB3  ASN  39           2HB      ASN  39   8.780  17.734  10.230
  264   HD21  ASN  39          1HD2      ASN  39   6.717  16.753  10.866
  265   HD22  ASN  39          2HD2      ASN  39   6.545  15.040  10.728
  266    HA   PRO  40           HA       PRO  40   9.324  21.542   6.637
  267    HB2  PRO  40           1HB      PRO  40   9.945  23.228   8.673
  268    HB3  PRO  40           2HB      PRO  40   8.318  23.101   7.994
  269    HG2  PRO  40           1HG      PRO  40   9.438  21.856  10.475
  270    HG3  PRO  40           2HG      PRO  40   7.864  22.633  10.226
  271    HD2  PRO  40           1HD      PRO  40   8.176  19.943  10.232
  272    HD3  PRO  40           2HD      PRO  40   6.956  20.760   9.235
  273    H    SER  41           H        SER  41  10.691  19.546   9.022
  274    HA   SER  41           HA       SER  41  13.310  20.670   9.104
  275    HB2  SER  41           1HB      SER  41  12.583  19.258  10.923
  276    HB3  SER  41           2HB      SER  41  12.284  17.915   9.820
  277    HG   SER  41           HG       SER  41  14.824  19.104  10.262
  278    H    GLY  42           H        GLY  42  14.822  20.600   7.585
  279    HA2  GLY  42           1HA      GLY  42  15.841  20.091   5.579
  280    HA3  GLY  42           2HA      GLY  42  15.773  18.451   6.206
  281    HA   PRO  43           HA       PRO  43  11.965  19.185   3.262
  282    HB2  PRO  43           1HB      PRO  43  12.337  21.161   1.438
  283    HB3  PRO  43           2HB      PRO  43  11.565  21.433   3.005
  284    HG2  PRO  43           1HG      PRO  43  14.387  21.972   2.164
  285    HG3  PRO  43           2HG      PRO  43  13.296  22.981   3.132
  286    HD2  PRO  43           1HD      PRO  43  15.235  21.452   4.243
  287    HD3  PRO  43           2HD      PRO  43  13.694  21.783   5.060
  288    H    SER  44           H        SER  44  15.261  18.963   2.720
  289    HA   SER  44           HA       SER  44  16.483  17.684   1.278
  290    HB2  SER  44           1HB      SER  44  14.305  16.261   1.330
  291    HB3  SER  44           2HB      SER  44  14.005  16.959  -0.262
  292    HG   SER  44           HG       SER  44  16.026  15.203   0.569
  293    H    SER  45           H        SER  45  16.175  20.411   0.835
  294    HA   SER  45           HA       SER  45  15.425  21.135  -1.765
  295    HB2  SER  45           1HB      SER  45  15.895  22.706   0.152
  296    HB3  SER  45           2HB      SER  45  17.614  22.439  -0.135
  297    HG   SER  45           HG       SER  45  17.257  24.132  -1.391
  298    H    GLY  46           H        GLY  46  16.272  20.617  -3.664
  299    HA2  GLY  46           1HA      GLY  46  18.938  20.790  -4.393
  300    HA3  GLY  46           2HA      GLY  46  18.683  19.125  -3.893
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1   8.447 -24.948  -4.582
    2    HA2  GLY   1           1HA      GLY   1  10.555 -24.602  -6.627
    3    HA3  GLY   1           2HA      GLY   1   9.469 -25.983  -6.586
    4    H    SER   2           H        SER   2   7.737 -25.905  -7.853
    5    HA   SER   2           HA       SER   2   7.250 -23.882  -9.673
    6    HB2  SER   2           1HB      SER   2   5.358 -25.968  -8.570
    7    HB3  SER   2           2HB      SER   2   4.988 -24.944  -9.957
    8    HG   SER   2           HG       SER   2   7.240 -25.873 -10.616
    9    H    SER   3           H        SER   3   5.758 -22.205  -9.819
   10    HA   SER   3           HA       SER   3   5.173 -20.888  -7.339
   11    HB2  SER   3           1HB      SER   3   5.849 -19.760  -9.528
   12    HB3  SER   3           2HB      SER   3   4.196 -20.050 -10.070
   13    HG   SER   3           HG       SER   3   3.949 -18.151  -9.137
   14    H    GLY   4           H        GLY   4   3.164 -22.124 -10.016
   15    HA2  GLY   4           1HA      GLY   4   1.037 -23.003  -9.996
   16    HA3  GLY   4           2HA      GLY   4   1.163 -23.110  -8.246
   17    H    SER   5           H        SER   5  -1.190 -22.399  -9.618
   18    HA   SER   5           HA       SER   5  -1.439 -19.509  -9.272
   19    HB2  SER   5           1HB      SER   5  -2.380 -20.618 -11.306
   20    HB3  SER   5           2HB      SER   5  -3.510 -21.481 -10.263
   21    HG   SER   5           HG       SER   5  -4.119 -19.334 -11.312
   22    H    SER   6           H        SER   6  -1.268 -19.466  -6.985
   23    HA   SER   6           HA       SER   6  -3.742 -20.307  -5.631
   24    HB2  SER   6           1HB      SER   6  -1.999 -21.859  -4.951
   25    HB3  SER   6           2HB      SER   6  -0.924 -20.521  -4.545
   26    HG   SER   6           HG       SER   6  -3.422 -20.559  -3.319
   27    H    GLY   7           H        GLY   7  -4.660 -18.282  -5.643
   28    HA2  GLY   7           1HA      GLY   7  -3.129 -16.124  -4.342
   29    HA3  GLY   7           2HA      GLY   7  -4.475 -15.877  -5.444
   30    H    THR   8           H        THR   8  -4.017 -14.909  -2.684
   31    HA   THR   8           HA       THR   8  -6.296 -16.182  -1.324
   32    HB   THR   8           HB       THR   8  -4.310 -16.255   0.038
   33    HG1  THR   8           HG1      THR   8  -5.088 -14.777   1.788
   34   HG21  THR   8          3HG2      THR   8  -3.620 -13.723   0.769
   35   HG22  THR   8          1HG2      THR   8  -3.976 -13.508  -0.944
   36   HG23  THR   8          2HG2      THR   8  -2.765 -14.685  -0.436
   37    H    LYS   9           H        LYS   9  -7.860 -14.849  -0.285
   38    HA   LYS   9           HA       LYS   9  -8.140 -12.212  -1.559
   39    HB2  LYS   9           1HB      LYS   9 -10.589 -12.505  -0.899
   40    HB3  LYS   9           2HB      LYS   9  -9.983 -13.536  -2.189
   41    HG2  LYS   9           1HG      LYS   9  -9.882 -14.576   0.589
   42    HG3  LYS   9           2HG      LYS   9 -11.451 -14.486  -0.214
   43    HD2  LYS   9           1HD      LYS   9 -10.704 -15.888  -1.994
   44    HD3  LYS   9           2HD      LYS   9  -9.032 -15.807  -1.433
   45    HE2  LYS   9           1HE      LYS   9  -9.879 -16.881   0.718
   46    HE3  LYS   9           2HE      LYS   9 -11.364 -17.222  -0.169
   47    HZ1  LYS   9           3HZ      LYS   9 -10.008 -19.125  -0.351
   48    HZ2  LYS   9           1HZ      LYS   9  -8.636 -18.220  -0.753
   49    HZ3  LYS   9           2HZ      LYS   9  -9.913 -18.352  -1.853
   50    H    GLU  10           H        GLU  10  -6.641 -11.450   0.161
   51    HA   GLU  10           HA       GLU  10  -7.496 -11.421   2.880
   52    HB2  GLU  10           1HB      GLU  10  -5.477  -9.662   1.476
   53    HB3  GLU  10           2HB      GLU  10  -5.670  -9.811   3.217
   54    HG2  GLU  10           1HG      GLU  10  -5.247 -12.339   2.772
   55    HG3  GLU  10           2HG      GLU  10  -4.541 -11.759   1.264
   56    H    HIS  11           H        HIS  11  -7.140  -8.728   0.564
   57    HA   HIS  11           HA       HIS  11  -9.708  -7.651   1.172
   58    HB2  HIS  11           1HB      HIS  11  -7.278  -6.476   2.485
   59    HB3  HIS  11           2HB      HIS  11  -8.640  -5.445   2.057
   60    HD1  HIS  11           HD1      HIS  11 -10.997  -7.157   2.878
   61    HD2  HIS  11           HD2      HIS  11  -7.544  -6.800   5.160
   62    HE1  HIS  11           HE1      HIS  11 -11.680  -7.742   5.227
   63    HA   PRO  12           HA       PRO  12  -9.056  -5.719  -2.714
   64    HB2  PRO  12           1HB      PRO  12 -10.693  -3.563  -2.510
   65    HB3  PRO  12           2HB      PRO  12 -11.297  -5.213  -2.703
   66    HG2  PRO  12           1HG      PRO  12 -11.047  -3.565  -0.216
   67    HG3  PRO  12           2HG      PRO  12 -12.381  -4.611  -0.736
   68    HD2  PRO  12           1HD      PRO  12 -10.543  -5.394   1.092
   69    HD3  PRO  12           2HD      PRO  12 -11.318  -6.531  -0.031
   70    H    PHE  13           H        PHE  13  -8.221  -4.152   0.207
   71    HA   PHE  13           HA       PHE  13  -6.669  -2.142  -1.288
   72    HB2  PHE  13           1HB      PHE  13  -7.727  -1.856   1.530
   73    HB3  PHE  13           2HB      PHE  13  -6.884  -0.628   0.591
   74    HD1  PHE  13           HD2      PHE  13  -7.999   0.253  -1.503
   75    HD2  PHE  13           HD1      PHE  13 -10.045  -2.083   1.408
   76    HE1  PHE  13           HE2      PHE  13 -10.153   1.071  -2.366
   77    HE2  PHE  13           HE1      PHE  13 -12.203  -1.270   0.548
   78    HZ   PHE  13           HZ       PHE  13 -12.258   0.310  -1.340
   79    H    LYS  14           H        LYS  14  -4.558  -2.472  -1.205
   80    HA   LYS  14           HA       LYS  14  -3.376  -3.561   1.251
   81    HB2  LYS  14           1HB      LYS  14  -3.472  -5.477  -0.148
   82    HB3  LYS  14           2HB      LYS  14  -2.955  -4.564  -1.560
   83    HG2  LYS  14           1HG      LYS  14  -1.107  -4.708   0.758
   84    HG3  LYS  14           2HG      LYS  14  -1.310  -6.149  -0.241
   85    HD2  LYS  14           1HD      LYS  14  -0.900  -4.568  -2.231
   86    HD3  LYS  14           2HD      LYS  14  -0.274  -3.443  -1.023
   87    HE2  LYS  14           1HE      LYS  14   1.292  -5.221  -0.268
   88    HE3  LYS  14           2HE      LYS  14   0.724  -6.231  -1.597
   89    HZ1  LYS  14           3HZ      LYS  14   2.825  -4.925  -1.997
   90    HZ2  LYS  14           1HZ      LYS  14   1.862  -3.534  -2.035
   91    HZ3  LYS  14           2HZ      LYS  14   1.619  -4.762  -3.173
   92    H    CYS  15           H        CYS  15  -1.893  -2.201   1.980
   93    HA   CYS  15           HA       CYS  15  -0.946   0.015   0.527
   94    HB2  CYS  15           1HB      CYS  15  -1.060  -0.027   2.982
   95    HB3  CYS  15           2HB      CYS  15   0.201  -1.255   3.022
   96    H    ASN  16           H        ASN  16   0.960   0.425  -0.523
   97    HA   ASN  16           HA       ASN  16   2.536  -1.940  -1.249
   98    HB2  ASN  16           1HB      ASN  16   1.442  -0.517  -3.037
   99    HB3  ASN  16           2HB      ASN  16   2.571   0.762  -2.599
  100   HD21  ASN  16          1HD2      ASN  16   2.068  -1.324  -4.901
  101   HD22  ASN  16          2HD2      ASN  16   3.679  -1.793  -5.315
  102    H    GLU  17           H        GLU  17   2.678   0.925   0.583
  103    HA   GLU  17           HA       GLU  17   5.482   1.410   0.413
  104    HB2  GLU  17           1HB      GLU  17   3.571   2.203   2.617
  105    HB3  GLU  17           2HB      GLU  17   5.151   2.906   2.298
  106    HG2  GLU  17           1HG      GLU  17   4.054   3.365  -0.068
  107    HG3  GLU  17           2HG      GLU  17   2.576   3.301   0.890
  108    H    CYS  18           H        CYS  18   3.417  -0.444   2.589
  109    HA   CYS  18           HA       CYS  18   5.847  -1.562   3.827
  110    HB2  CYS  18           1HB      CYS  18   4.584  -1.884   5.886
  111    HB3  CYS  18           2HB      CYS  18   4.542  -0.189   5.410
  112    H    GLY  19           H        GLY  19   2.466  -2.235   2.959
  113    HA2  GLY  19           1HA      GLY  19   2.128  -4.247   1.557
  114    HA3  GLY  19           2HA      GLY  19   3.233  -5.073   2.647
  115    H    LYS  20           H        LYS  20   0.890  -2.829   3.888
  116    HA   LYS  20           HA       LYS  20  -0.325  -4.938   5.446
  117    HB2  LYS  20           1HB      LYS  20  -0.385  -1.966   5.443
  118    HB3  LYS  20           2HB      LYS  20  -1.780  -2.795   6.120
  119    HG2  LYS  20           1HG      LYS  20   0.132  -4.137   7.392
  120    HG3  LYS  20           2HG      LYS  20   0.999  -2.624   7.119
  121    HD2  LYS  20           1HD      LYS  20   0.002  -2.111   9.103
  122    HD3  LYS  20           2HD      LYS  20  -1.286  -1.601   8.009
  123    HE2  LYS  20           1HE      LYS  20  -2.598  -3.437   8.487
  124    HE3  LYS  20           2HE      LYS  20  -1.224  -4.420   8.991
  125    HZ1  LYS  20           3HZ      LYS  20  -1.856  -3.927  11.052
  126    HZ2  LYS  20           1HZ      LYS  20  -2.893  -2.689  10.547
  127    HZ3  LYS  20           2HZ      LYS  20  -1.248  -2.372  10.780
  128    H    THR  21           H        THR  21  -2.897  -4.348   5.741
  129    HA   THR  21           HA       THR  21  -4.177  -4.031   3.154
  130    HB   THR  21           HB       THR  21  -5.436  -6.147   3.326
  131    HG1  THR  21           HG1      THR  21  -4.577  -6.206   5.759
  132   HG21  THR  21          3HG2      THR  21  -2.432  -6.310   3.191
  133   HG22  THR  21          1HG2      THR  21  -3.581  -6.222   1.856
  134   HG23  THR  21          2HG2      THR  21  -3.476  -7.686   2.834
  135    H    PHE  22           H        PHE  22  -6.347  -3.476   3.284
  136    HA   PHE  22           HA       PHE  22  -7.600  -3.401   5.921
  137    HB2  PHE  22           1HB      PHE  22  -7.594  -0.927   4.204
  138    HB3  PHE  22           2HB      PHE  22  -8.055  -1.083   5.895
  139    HD1  PHE  22           HD2      PHE  22  -5.124  -1.379   3.628
  140    HD2  PHE  22           HD1      PHE  22  -6.534  -0.570   7.561
  141    HE1  PHE  22           HE2      PHE  22  -2.852  -0.718   4.302
  142    HE2  PHE  22           HE1      PHE  22  -4.264   0.094   8.242
  143    HZ   PHE  22           HZ       PHE  22  -2.420   0.019   6.612
  144    H    SER  23           H        SER  23  -9.784  -3.636   5.878
  145    HA   SER  23           HA       SER  23 -11.008  -4.716   3.608
  146    HB2  SER  23           1HB      SER  23 -11.932  -5.278   5.722
  147    HB3  SER  23           2HB      SER  23 -12.141  -3.584   6.166
  148    HG   SER  23           HG       SER  23 -13.846  -3.427   4.811
  149    H    HIS  24           H        HIS  24 -11.285  -1.470   5.025
  150    HA   HIS  24           HA       HIS  24 -12.651  -0.579   2.578
  151    HB2  HIS  24           1HB      HIS  24 -12.751   0.294   5.424
  152    HB3  HIS  24           2HB      HIS  24 -12.977   1.525   4.185
  153    HD1  HIS  24           HD1      HIS  24 -14.590  -1.514   5.653
  154    HD2  HIS  24           HD2      HIS  24 -15.385   1.376   2.776
  155    HE1  HIS  24           HE1      HIS  24 -17.019  -1.798   5.069
  156    H    SER  25           H        SER  25 -12.051   1.483   1.666
  157    HA   SER  25           HA       SER  25  -9.251   1.765   1.369
  158    HB2  SER  25           1HB      SER  25  -9.811   3.744  -0.005
  159    HB3  SER  25           2HB      SER  25 -10.795   2.346  -0.436
  160    HG   SER  25           HG       SER  25 -11.742   4.635   0.054
  161    H    ALA  26           H        ALA  26 -11.666   3.936   2.842
  162    HA   ALA  26           HA       ALA  26 -10.264   6.024   3.713
  163    HB1  ALA  26           3HB      ALA  26 -12.602   5.659   4.305
  164    HB2  ALA  26           1HB      ALA  26 -12.122   4.430   5.476
  165    HB3  ALA  26           2HB      ALA  26 -11.655   6.113   5.721
  166    H    HIS  27           H        HIS  27 -10.001   2.777   5.057
  167    HA   HIS  27           HA       HIS  27  -8.313   3.473   7.230
  168    HB2  HIS  27           1HB      HIS  27  -8.663   0.821   5.818
  169    HB3  HIS  27           2HB      HIS  27  -7.849   1.049   7.363
  170    HD1  HIS  27           HD1      HIS  27 -10.789  -0.329   6.334
  171    HD2  HIS  27           HD2      HIS  27  -9.994   2.737   9.023
  172    HE1  HIS  27           HE1      HIS  27 -12.807  -0.206   7.829
  173    H    LEU  28           H        LEU  28  -7.641   2.089   4.022
  174    HA   LEU  28           HA       LEU  28  -4.855   1.942   4.297
  175    HB2  LEU  28           1HB      LEU  28  -5.866   0.737   2.538
  176    HB3  LEU  28           2HB      LEU  28  -6.654   2.180   1.903
  177    HG   LEU  28           HG       LEU  28  -4.481   3.037   1.165
  178   HD11  LEU  28          1HD1      LEU  28  -2.552   1.421   1.174
  179   HD12  LEU  28          2HD1      LEU  28  -3.460   0.465   2.345
  180   HD13  LEU  28          3HD1      LEU  28  -2.974   2.114   2.741
  181   HD21  LEU  28          3HD2      LEU  28  -5.990   1.293  -0.114
  182   HD22  LEU  28          1HD2      LEU  28  -4.570   0.266   0.089
  183   HD23  LEU  28          2HD2      LEU  28  -4.431   1.806  -0.760
  184    H    SER  29           H        SER  29  -6.743   4.371   2.487
  185    HA   SER  29           HA       SER  29  -4.761   6.116   1.813
  186    HB2  SER  29           1HB      SER  29  -7.094   6.417   1.123
  187    HB3  SER  29           2HB      SER  29  -7.539   6.851   2.774
  188    HG   SER  29           HG       SER  29  -5.756   8.527   2.395
  189    H    LYS  30           H        LYS  30  -6.496   5.998   4.905
  190    HA   LYS  30           HA       LYS  30  -5.166   8.209   6.070
  191    HB2  LYS  30           1HB      LYS  30  -7.341   6.870   6.774
  192    HB3  LYS  30           2HB      LYS  30  -6.194   5.977   7.764
  193    HG2  LYS  30           1HG      LYS  30  -5.483   8.082   8.810
  194    HG3  LYS  30           2HG      LYS  30  -6.683   8.947   7.847
  195    HD2  LYS  30           1HD      LYS  30  -7.876   8.638   9.774
  196    HD3  LYS  30           2HD      LYS  30  -8.312   7.162   8.911
  197    HE2  LYS  30           1HE      LYS  30  -6.422   6.022  10.100
  198    HE3  LYS  30           2HE      LYS  30  -6.235   7.481  11.071
  199    HZ1  LYS  30           3HZ      LYS  30  -8.915   6.824  11.179
  200    HZ2  LYS  30           1HZ      LYS  30  -7.773   6.664  12.416
  201    HZ3  LYS  30           2HZ      LYS  30  -8.086   5.364  11.382
  202    H    HIS  31           H        HIS  31  -4.560   4.725   6.135
  203    HA   HIS  31           HA       HIS  31  -2.392   4.852   7.966
  204    HB2  HIS  31           1HB      HIS  31  -3.315   2.728   7.837
  205    HB3  HIS  31           2HB      HIS  31  -3.459   2.784   6.082
  206    HD1  HIS  31           HD1      HIS  31  -1.042   1.996   8.822
  207    HD2  HIS  31           HD2      HIS  31  -1.184   1.969   4.669
  208    HE1  HIS  31           HE1      HIS  31   1.001   0.727   8.087
  209    H    GLN  32           H        GLN  32  -2.687   5.739   4.718
  210    HA   GLN  32           HA       GLN  32   0.025   5.186   3.934
  211    HB2  GLN  32           1HB      GLN  32  -2.204   6.776   2.672
  212    HB3  GLN  32           2HB      GLN  32  -0.599   6.668   1.962
  213    HG2  GLN  32           1HG      GLN  32  -1.024   4.085   2.220
  214    HG3  GLN  32           2HG      GLN  32  -2.712   4.596   2.206
  215   HE21  GLN  32          1HE2      GLN  32  -1.923   2.992   0.234
  216   HE22  GLN  32          2HE2      GLN  32  -1.778   3.853  -1.256
  217    H    LEU  33           H        LEU  33  -1.745   7.881   5.282
  218    HA   LEU  33           HA       LEU  33   0.112   9.925   4.765
  219    HB2  LEU  33           1HB      LEU  33  -1.788   9.637   7.088
  220    HB3  LEU  33           2HB      LEU  33  -0.976  11.124   6.604
  221    HG   LEU  33           HG       LEU  33  -2.824   9.690   4.725
  222   HD11  LEU  33          1HD1      LEU  33  -3.524  11.464   7.031
  223   HD12  LEU  33          2HD1      LEU  33  -4.289   9.967   6.500
  224   HD13  LEU  33          3HD1      LEU  33  -4.513  11.449   5.571
  225   HD21  LEU  33          3HD2      LEU  33  -3.034  12.427   4.424
  226   HD22  LEU  33          1HD2      LEU  33  -2.080  11.336   3.420
  227   HD23  LEU  33          2HD2      LEU  33  -1.323  12.176   4.773
  228    H    ILE  34           H        ILE  34   0.170   7.300   6.981
  229    HA   ILE  34           HA       ILE  34   1.941   8.426   8.904
  230    HB   ILE  34           HB       ILE  34   2.002   6.354   9.915
  231   HG12  ILE  34          1HG1      ILE  34   1.705   5.197   7.145
  232   HG13  ILE  34          2HG1      ILE  34   3.069   5.038   8.247
  233   HG21  ILE  34          1HG2      ILE  34  -0.360   7.243   9.438
  234   HG22  ILE  34          2HG2      ILE  34  -0.479   5.907   8.294
  235   HG23  ILE  34          3HG2      ILE  34  -0.196   5.581  10.003
  236   HD11  ILE  34          3HD1      ILE  34   1.768   3.627   9.707
  237   HD12  ILE  34          1HD1      ILE  34   0.341   3.852   8.696
  238   HD13  ILE  34          2HD1      ILE  34   1.741   2.984   8.065
  239    H    HIS  35           H        HIS  35   2.364   6.814   5.839
  240    HA   HIS  35           HA       HIS  35   5.165   6.300   6.183
  241    HB2  HIS  35           1HB      HIS  35   3.288   6.184   3.833
  242    HB3  HIS  35           2HB      HIS  35   5.023   5.957   3.630
  243    HD1  HIS  35           HD1      HIS  35   5.955   4.020   5.491
  244    HD2  HIS  35           HD2      HIS  35   2.033   3.823   4.134
  245    HE1  HIS  35           HE1      HIS  35   5.218   1.653   5.908
  246    H    ALA  36           H        ALA  36   3.215   8.880   4.842
  247    HA   ALA  36           HA       ALA  36   5.374  10.233   3.547
  248    HB1  ALA  36           3HB      ALA  36   3.779  11.561   2.717
  249    HB2  ALA  36           1HB      ALA  36   2.644  10.423   3.444
  250    HB3  ALA  36           2HB      ALA  36   3.097  11.893   4.309
  251    H    GLY  37           H        GLY  37   7.038  10.958   4.727
  252    HA2  GLY  37           1HA      GLY  37   6.403  12.641   7.067
  253    HA3  GLY  37           2HA      GLY  37   7.684  11.440   7.142
  254    H    GLU  38           H        GLU  38   6.644  14.266   5.247
  255    HA   GLU  38           HA       GLU  38   9.364  14.767   4.386
  256    HB2  GLU  38           1HB      GLU  38   6.738  16.157   3.884
  257    HB3  GLU  38           2HB      GLU  38   8.269  16.825   3.336
  258    HG2  GLU  38           1HG      GLU  38   8.668  14.952   1.920
  259    HG3  GLU  38           2HG      GLU  38   7.296  14.078   2.598
  260    H    ASN  39           H        ASN  39  10.699  16.369   5.090
  261    HA   ASN  39           HA       ASN  39   9.749  18.368   6.962
  262    HB2  ASN  39           1HB      ASN  39  11.980  16.518   7.815
  263    HB3  ASN  39           2HB      ASN  39  11.195  17.769   8.773
  264   HD21  ASN  39          1HD2      ASN  39  11.370  14.541   8.259
  265   HD22  ASN  39          2HD2      ASN  39   9.834  14.060   8.887
  266    HA   PRO  40           HA       PRO  40  12.836  20.733   4.900
  267    HB2  PRO  40           1HB      PRO  40  13.127  22.736   6.709
  268    HB3  PRO  40           2HB      PRO  40  11.711  22.586   5.662
  269    HG2  PRO  40           1HG      PRO  40  12.046  21.774   8.524
  270    HG3  PRO  40           2HG      PRO  40  10.677  22.589   7.745
  271    HD2  PRO  40           1HD      PRO  40  10.675  19.937   8.290
  272    HD3  PRO  40           2HD      PRO  40   9.833  20.624   6.886
  273    H    SER  41           H        SER  41  13.403  18.911   7.608
  274    HA   SER  41           HA       SER  41  16.212  19.778   7.798
  275    HB2  SER  41           1HB      SER  41  14.743  19.823   9.892
  276    HB3  SER  41           2HB      SER  41  14.771  18.062   9.821
  277    HG   SER  41           HG       SER  41  16.948  19.836  10.171
  278    H    GLY  42           H        GLY  42  15.494  18.214   5.637
  279    HA2  GLY  42           1HA      GLY  42  16.783  15.650   6.336
  280    HA3  GLY  42           2HA      GLY  42  15.411  15.717   5.239
  281    HA   PRO  43           HA       PRO  43  19.480  16.008   2.895
  282    HB2  PRO  43           1HB      PRO  43  19.153  13.741   1.438
  283    HB3  PRO  43           2HB      PRO  43  19.941  13.761   3.020
  284    HG2  PRO  43           1HG      PRO  43  17.130  13.012   2.312
  285    HG3  PRO  43           2HG      PRO  43  18.255  12.211   3.425
  286    HD2  PRO  43           1HD      PRO  43  16.280  13.855   4.281
  287    HD3  PRO  43           2HD      PRO  43  17.834  13.709   5.126
  288    H    SER  44           H        SER  44  16.205  15.087   1.939
  289    HA   SER  44           HA       SER  44  16.340  15.617  -0.784
  290    HB2  SER  44           1HB      SER  44  13.961  15.720  -0.762
  291    HB3  SER  44           2HB      SER  44  14.408  14.586   0.511
  292    HG   SER  44           HG       SER  44  13.518  15.865   1.911
  293    H    SER  45           H        SER  45  15.642  17.439  -2.025
  294    HA   SER  45           HA       SER  45  16.673  19.914  -1.020
  295    HB2  SER  45           1HB      SER  45  15.579  18.945  -3.619
  296    HB3  SER  45           2HB      SER  45  15.593  20.685  -3.332
  297    HG   SER  45           HG       SER  45  17.811  18.917  -3.245
  298    H    GLY  46           H        GLY  46  15.279  20.332   0.765
  299    HA2  GLY  46           1HA      GLY  46  13.559  22.227   0.880
  300    HA3  GLY  46           2HA      GLY  46  12.524  21.085   0.035
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1   8.683 -27.020  -8.533
    2    HA2  GLY   1           1HA      GLY   1   7.254 -24.934  -8.810
    3    HA3  GLY   1           2HA      GLY   1   5.980 -26.067  -9.235
    4    H    SER   2           H        SER   2   6.338 -24.092  -6.985
    5    HA   SER   2           HA       SER   2   5.518 -25.928  -4.860
    6    HB2  SER   2           1HB      SER   2   7.987 -25.291  -4.628
    7    HB3  SER   2           2HB      SER   2   7.419 -23.660  -4.272
    8    HG   SER   2           HG       SER   2   6.295 -25.797  -2.862
    9    H    SER   3           H        SER   3   4.114 -25.026  -3.325
   10    HA   SER   3           HA       SER   3   2.162 -23.347  -4.135
   11    HB2  SER   3           1HB      SER   3   3.250 -23.613  -1.324
   12    HB3  SER   3           2HB      SER   3   1.704 -22.865  -1.725
   13    HG   SER   3           HG       SER   3   2.191 -25.418  -2.727
   14    H    GLY   4           H        GLY   4   5.017 -22.311  -2.266
   15    HA2  GLY   4           1HA      GLY   4   5.905 -20.214  -1.917
   16    HA3  GLY   4           2HA      GLY   4   5.608 -20.017  -3.638
   17    H    SER   5           H        SER   5   5.386 -17.729  -2.897
   18    HA   SER   5           HA       SER   5   2.677 -17.206  -1.866
   19    HB2  SER   5           1HB      SER   5   5.242 -15.643  -1.644
   20    HB3  SER   5           2HB      SER   5   3.675 -14.871  -1.398
   21    HG   SER   5           HG       SER   5   4.855 -15.843   0.495
   22    H    SER   6           H        SER   6   1.641 -17.340  -3.868
   23    HA   SER   6           HA       SER   6   2.205 -15.084  -5.674
   24    HB2  SER   6           1HB      SER   6   1.568 -17.943  -6.408
   25    HB3  SER   6           2HB      SER   6   1.406 -16.608  -7.548
   26    HG   SER   6           HG       SER   6   3.477 -17.791  -7.526
   27    H    GLY   7           H        GLY   7   0.383 -14.959  -3.577
   28    HA2  GLY   7           1HA      GLY   7  -1.892 -13.947  -4.769
   29    HA3  GLY   7           2HA      GLY   7  -2.264 -15.626  -4.404
   30    H    THR   8           H        THR   8  -2.339 -12.509  -3.240
   31    HA   THR   8           HA       THR   8  -2.079 -13.208  -0.432
   32    HB   THR   8           HB       THR   8  -2.642 -10.804  -0.035
   33    HG1  THR   8           HG1      THR   8  -3.271  -9.584  -1.657
   34   HG21  THR   8          3HG2      THR   8  -0.377 -10.975  -0.024
   35   HG22  THR   8          1HG2      THR   8  -0.533 -10.018  -1.496
   36   HG23  THR   8          2HG2      THR   8  -0.319 -11.766  -1.598
   37    H    LYS   9           H        LYS   9  -4.612 -11.756  -2.484
   38    HA   LYS   9           HA       LYS   9  -6.877 -11.630  -2.219
   39    HB2  LYS   9           1HB      LYS   9  -6.334 -14.468  -1.340
   40    HB3  LYS   9           2HB      LYS   9  -7.947 -13.835  -1.641
   41    HG2  LYS   9           1HG      LYS   9  -5.769 -13.808  -3.710
   42    HG3  LYS   9           2HG      LYS   9  -6.904 -15.145  -3.517
   43    HD2  LYS   9           1HD      LYS   9  -8.000 -12.389  -3.756
   44    HD3  LYS   9           2HD      LYS   9  -7.365 -13.164  -5.209
   45    HE2  LYS   9           1HE      LYS   9  -9.648 -13.707  -5.178
   46    HE3  LYS   9           2HE      LYS   9  -8.828 -15.153  -4.591
   47    HZ1  LYS   9           3HZ      LYS   9  -9.581 -14.829  -2.467
   48    HZ2  LYS   9           1HZ      LYS   9 -10.893 -14.224  -3.347
   49    HZ3  LYS   9           2HZ      LYS   9  -9.777 -13.159  -2.654
   50    H    GLU  10           H        GLU  10  -5.598 -10.423  -0.111
   51    HA   GLU  10           HA       GLU  10  -6.927 -11.358   2.320
   52    HB2  GLU  10           1HB      GLU  10  -4.841  -9.219   1.870
   53    HB3  GLU  10           2HB      GLU  10  -5.550  -9.590   3.435
   54    HG2  GLU  10           1HG      GLU  10  -4.317 -11.809   1.899
   55    HG3  GLU  10           2HG      GLU  10  -3.255 -10.627   2.663
   56    H    HIS  11           H        HIS  11  -6.671  -8.456   0.296
   57    HA   HIS  11           HA       HIS  11  -9.385  -7.743   0.732
   58    HB2  HIS  11           1HB      HIS  11  -7.280  -6.422   2.383
   59    HB3  HIS  11           2HB      HIS  11  -8.596  -5.429   1.765
   60    HD1  HIS  11           HD1      HIS  11 -11.059  -6.914   2.224
   61    HD2  HIS  11           HD2      HIS  11  -7.885  -7.180   4.892
   62    HE1  HIS  11           HE1      HIS  11 -12.068  -7.684   4.395
   63    HA   PRO  12           HA       PRO  12  -8.721  -5.455  -2.950
   64    HB2  PRO  12           1HB      PRO  12 -10.477  -3.402  -2.684
   65    HB3  PRO  12           2HB      PRO  12 -10.985  -5.065  -3.002
   66    HG2  PRO  12           1HG      PRO  12 -10.918  -3.567  -0.411
   67    HG3  PRO  12           2HG      PRO  12 -12.174  -4.644  -1.048
   68    HD2  PRO  12           1HD      PRO  12 -10.368  -5.447   0.803
   69    HD3  PRO  12           2HD      PRO  12 -11.038  -6.548  -0.418
   70    H    PHE  13           H        PHE  13  -8.118  -4.008   0.097
   71    HA   PHE  13           HA       PHE  13  -6.577  -1.864  -1.211
   72    HB2  PHE  13           1HB      PHE  13  -7.826  -1.733   1.539
   73    HB3  PHE  13           2HB      PHE  13  -6.998  -0.431   0.692
   74    HD1  PHE  13           HD2      PHE  13  -8.031   0.457  -1.442
   75    HD2  PHE  13           HD1      PHE  13 -10.117  -2.075   1.271
   76    HE1  PHE  13           HE2      PHE  13 -10.171   1.188  -2.410
   77    HE2  PHE  13           HE1      PHE  13 -12.261  -1.348   0.306
   78    HZ   PHE  13           HZ       PHE  13 -12.290   0.287  -1.536
   79    H    LYS  14           H        LYS  14  -4.542  -2.614  -1.207
   80    HA   LYS  14           HA       LYS  14  -3.425  -3.484   1.377
   81    HB2  LYS  14           1HB      LYS  14  -3.506  -5.451   0.052
   82    HB3  LYS  14           2HB      LYS  14  -2.938  -4.601  -1.379
   83    HG2  LYS  14           1HG      LYS  14  -1.174  -4.724   1.015
   84    HG3  LYS  14           2HG      LYS  14  -1.340  -6.153  -0.007
   85    HD2  LYS  14           1HD      LYS  14  -0.860  -4.515  -1.955
   86    HD3  LYS  14           2HD      LYS  14  -0.234  -3.453  -0.691
   87    HE2  LYS  14           1HE      LYS  14   1.648  -4.625  -1.409
   88    HE3  LYS  14           2HE      LYS  14   1.150  -5.489   0.045
   89    HZ1  LYS  14           3HZ      LYS  14   1.718  -6.953  -1.847
   90    HZ2  LYS  14           1HZ      LYS  14   0.411  -6.312  -2.708
   91    HZ3  LYS  14           2HZ      LYS  14   0.140  -7.177  -1.281
   92    H    CYS  15           H        CYS  15  -1.932  -2.131   2.099
   93    HA   CYS  15           HA       CYS  15  -0.927   0.038   0.633
   94    HB2  CYS  15           1HB      CYS  15  -1.053  -0.068   3.117
   95    HB3  CYS  15           2HB      CYS  15   0.278  -1.221   3.106
   96    H    ASN  16           H        ASN  16   0.754   0.270  -0.703
   97    HA   ASN  16           HA       ASN  16   2.377  -2.079  -1.292
   98    HB2  ASN  16           1HB      ASN  16   2.330   0.579  -2.733
   99    HB3  ASN  16           2HB      ASN  16   3.019  -0.932  -3.318
  100   HD21  ASN  16          1HD2      ASN  16   0.713   0.990  -4.076
  101   HD22  ASN  16          2HD2      ASN  16  -0.579  -0.094  -4.448
  102    H    GLU  17           H        GLU  17   2.572   0.704   0.576
  103    HA   GLU  17           HA       GLU  17   5.373   1.237   0.262
  104    HB2  GLU  17           1HB      GLU  17   3.529   2.061   2.511
  105    HB3  GLU  17           2HB      GLU  17   5.100   2.757   2.139
  106    HG2  GLU  17           1HG      GLU  17   4.059   3.310  -0.154
  107    HG3  GLU  17           2HG      GLU  17   2.519   3.033   0.658
  108    H    CYS  18           H        CYS  18   3.377  -0.562   2.552
  109    HA   CYS  18           HA       CYS  18   5.845  -1.704   3.688
  110    HB2  CYS  18           1HB      CYS  18   4.674  -1.949   5.826
  111    HB3  CYS  18           2HB      CYS  18   4.712  -0.262   5.322
  112    H    GLY  19           H        GLY  19   2.422  -2.281   2.957
  113    HA2  GLY  19           1HA      GLY  19   2.038  -4.364   1.633
  114    HA3  GLY  19           2HA      GLY  19   3.044  -5.168   2.828
  115    H    LYS  20           H        LYS  20   0.998  -2.745   4.079
  116    HA   LYS  20           HA       LYS  20  -0.469  -4.648   5.625
  117    HB2  LYS  20           1HB      LYS  20  -0.352  -1.683   5.415
  118    HB3  LYS  20           2HB      LYS  20  -1.805  -2.384   6.115
  119    HG2  LYS  20           1HG      LYS  20  -0.055  -3.728   7.553
  120    HG3  LYS  20           2HG      LYS  20   0.980  -2.358   7.146
  121    HD2  LYS  20           1HD      LYS  20  -0.601  -0.815   8.103
  122    HD3  LYS  20           2HD      LYS  20  -1.766  -2.113   8.371
  123    HE2  LYS  20           1HE      LYS  20   0.963  -2.259   9.589
  124    HE3  LYS  20           2HE      LYS  20  -0.291  -1.275  10.342
  125    HZ1  LYS  20           3HZ      LYS  20  -1.709  -3.267  10.398
  126    HZ2  LYS  20           1HZ      LYS  20  -0.294  -3.456  11.306
  127    HZ3  LYS  20           2HZ      LYS  20  -0.429  -4.189   9.787
  128    H    THR  21           H        THR  21  -2.897  -4.521   5.775
  129    HA   THR  21           HA       THR  21  -4.181  -4.006   3.192
  130    HB   THR  21           HB       THR  21  -5.411  -6.159   3.335
  131    HG1  THR  21           HG1      THR  21  -4.621  -7.740   4.779
  132   HG21  THR  21          3HG2      THR  21  -2.843  -7.366   3.231
  133   HG22  THR  21          1HG2      THR  21  -2.702  -5.739   2.566
  134   HG23  THR  21          2HG2      THR  21  -3.875  -6.870   1.889
  135    H    PHE  22           H        PHE  22  -6.338  -3.449   3.305
  136    HA   PHE  22           HA       PHE  22  -7.634  -3.468   5.929
  137    HB2  PHE  22           1HB      PHE  22  -7.664  -0.981   4.229
  138    HB3  PHE  22           2HB      PHE  22  -8.165  -1.162   5.907
  139    HD1  PHE  22           HD2      PHE  22  -5.183  -1.304   3.698
  140    HD2  PHE  22           HD1      PHE  22  -6.686  -0.683   7.631
  141    HE1  PHE  22           HE2      PHE  22  -2.948  -0.590   4.436
  142    HE2  PHE  22           HE1      PHE  22  -4.453   0.033   8.375
  143    HZ   PHE  22           HZ       PHE  22  -2.580   0.079   6.777
  144    H    SER  23           H        SER  23  -9.826  -3.710   5.868
  145    HA   SER  23           HA       SER  23 -10.992  -4.807   3.561
  146    HB2  SER  23           1HB      SER  23 -13.137  -4.633   4.840
  147    HB3  SER  23           2HB      SER  23 -11.833  -5.397   5.749
  148    HG   SER  23           HG       SER  23 -13.010  -2.877   6.087
  149    H    HIS  24           H        HIS  24 -10.999  -1.553   4.873
  150    HA   HIS  24           HA       HIS  24 -12.568  -0.664   2.542
  151    HB2  HIS  24           1HB      HIS  24 -12.542   0.208   5.388
  152    HB3  HIS  24           2HB      HIS  24 -12.791   1.449   4.163
  153    HD1  HIS  24           HD1      HIS  24 -14.628  -0.817   6.204
  154    HD2  HIS  24           HD2      HIS  24 -15.029   0.599   2.319
  155    HE1  HIS  24           HE1      HIS  24 -17.026  -1.243   5.577
  156    H    SER  25           H        SER  25 -12.016   1.489   1.705
  157    HA   SER  25           HA       SER  25  -9.197   1.713   1.295
  158    HB2  SER  25           1HB      SER  25  -9.710   3.376  -0.303
  159    HB3  SER  25           2HB      SER  25 -11.072   2.258  -0.377
  160    HG   SER  25           HG       SER  25 -10.943   4.822   0.791
  161    H    ALA  26           H        ALA  26 -11.625   3.787   2.862
  162    HA   ALA  26           HA       ALA  26 -10.205   5.950   3.620
  163    HB1  ALA  26           3HB      ALA  26 -11.840   4.619   5.732
  164    HB2  ALA  26           1HB      ALA  26 -11.756   6.321   5.278
  165    HB3  ALA  26           2HB      ALA  26 -12.617   5.175   4.249
  166    H    HIS  27           H        HIS  27 -10.058   2.770   5.171
  167    HA   HIS  27           HA       HIS  27  -8.342   3.499   7.283
  168    HB2  HIS  27           1HB      HIS  27  -8.621   0.799   5.947
  169    HB3  HIS  27           2HB      HIS  27  -7.931   1.102   7.539
  170    HD1  HIS  27           HD1      HIS  27 -10.770  -0.357   6.343
  171    HD2  HIS  27           HD2      HIS  27 -10.215   2.818   8.964
  172    HE1  HIS  27           HE1      HIS  27 -12.897  -0.205   7.674
  173    H    LEU  28           H        LEU  28  -7.670   2.110   4.084
  174    HA   LEU  28           HA       LEU  28  -4.880   1.920   4.390
  175    HB2  LEU  28           1HB      LEU  28  -5.867   0.697   2.639
  176    HB3  LEU  28           2HB      LEU  28  -6.674   2.123   1.991
  177    HG   LEU  28           HG       LEU  28  -4.494   2.999   1.258
  178   HD11  LEU  28          1HD1      LEU  28  -3.534   0.582   2.685
  179   HD12  LEU  28          2HD1      LEU  28  -2.814   2.187   2.558
  180   HD13  LEU  28          3HD1      LEU  28  -2.694   1.058   1.209
  181   HD21  LEU  28          3HD2      LEU  28  -5.921   1.603  -0.221
  182   HD22  LEU  28          1HD2      LEU  28  -4.981   0.193   0.270
  183   HD23  LEU  28          2HD2      LEU  28  -4.201   1.512  -0.604
  184    H    SER  29           H        SER  29  -6.771   4.360   2.597
  185    HA   SER  29           HA       SER  29  -4.746   6.077   1.908
  186    HB2  SER  29           1HB      SER  29  -7.132   6.307   1.219
  187    HB3  SER  29           2HB      SER  29  -7.501   6.933   2.826
  188    HG   SER  29           HG       SER  29  -5.451   8.131   1.337
  189    H    LYS  30           H        LYS  30  -6.442   5.854   4.993
  190    HA   LYS  30           HA       LYS  30  -5.213   8.138   6.161
  191    HB2  LYS  30           1HB      LYS  30  -7.357   6.772   6.856
  192    HB3  LYS  30           2HB      LYS  30  -6.205   5.854   7.819
  193    HG2  LYS  30           1HG      LYS  30  -5.460   8.197   8.668
  194    HG3  LYS  30           2HG      LYS  30  -7.046   8.704   8.080
  195    HD2  LYS  30           1HD      LYS  30  -7.932   6.688   9.435
  196    HD3  LYS  30           2HD      LYS  30  -6.370   6.754  10.254
  197    HE2  LYS  30           1HE      LYS  30  -6.823   8.767  11.248
  198    HE3  LYS  30           2HE      LYS  30  -7.921   9.276   9.966
  199    HZ1  LYS  30           3HZ      LYS  30  -9.557   7.696  10.801
  200    HZ2  LYS  30           1HZ      LYS  30  -9.121   8.808  12.000
  201    HZ3  LYS  30           2HZ      LYS  30  -8.504   7.233  12.042
  202    H    HIS  31           H        HIS  31  -4.519   4.667   6.249
  203    HA   HIS  31           HA       HIS  31  -2.349   4.872   8.074
  204    HB2  HIS  31           1HB      HIS  31  -3.200   2.723   7.994
  205    HB3  HIS  31           2HB      HIS  31  -3.399   2.753   6.244
  206    HD1  HIS  31           HD1      HIS  31  -0.870   2.077   8.916
  207    HD2  HIS  31           HD2      HIS  31  -1.163   1.949   4.774
  208    HE1  HIS  31           HE1      HIS  31   1.175   0.839   8.136
  209    H    GLN  32           H        GLN  32  -2.676   5.697   4.812
  210    HA   GLN  32           HA       GLN  32   0.038   5.186   4.016
  211    HB2  GLN  32           1HB      GLN  32  -2.252   6.691   2.769
  212    HB3  GLN  32           2HB      GLN  32  -0.644   6.695   2.056
  213    HG2  GLN  32           1HG      GLN  32  -0.914   4.083   2.286
  214    HG3  GLN  32           2HG      GLN  32  -2.628   4.498   2.259
  215   HE21  GLN  32          1HE2      GLN  32  -1.275   2.982   0.296
  216   HE22  GLN  32          2HE2      GLN  32  -1.340   3.860  -1.190
  217    H    LEU  33           H        LEU  33  -1.785   7.912   5.268
  218    HA   LEU  33           HA       LEU  33   0.014   9.973   4.746
  219    HB2  LEU  33           1HB      LEU  33  -1.784   9.633   7.142
  220    HB3  LEU  33           2HB      LEU  33  -1.032  11.142   6.628
  221    HG   LEU  33           HG       LEU  33  -2.933   9.648   4.846
  222   HD11  LEU  33          1HD1      LEU  33  -3.619  11.702   6.943
  223   HD12  LEU  33          2HD1      LEU  33  -4.124  10.013   6.920
  224   HD13  LEU  33          3HD1      LEU  33  -4.712  11.126   5.684
  225   HD21  LEU  33          3HD2      LEU  33  -1.310  11.852   4.460
  226   HD22  LEU  33          1HD2      LEU  33  -2.896  12.550   4.787
  227   HD23  LEU  33          2HD2      LEU  33  -2.698  11.389   3.474
  228    H    ILE  34           H        ILE  34   0.209   7.363   6.983
  229    HA   ILE  34           HA       ILE  34   2.044   8.541   8.813
  230    HB   ILE  34           HB       ILE  34   2.185   6.480   9.844
  231   HG12  ILE  34          1HG1      ILE  34   1.781   5.298   7.101
  232   HG13  ILE  34          2HG1      ILE  34   3.179   5.142   8.160
  233   HG21  ILE  34          1HG2      ILE  34  -0.210   7.343   9.464
  234   HG22  ILE  34          2HG2      ILE  34  -0.368   5.979   8.359
  235   HG23  ILE  34          3HG2      ILE  34   0.003   5.697  10.060
  236   HD11  ILE  34          3HD1      ILE  34   0.463   3.948   8.663
  237   HD12  ILE  34          1HD1      ILE  34   1.874   3.085   8.051
  238   HD13  ILE  34          2HD1      ILE  34   1.891   3.759   9.681
  239    H    HIS  35           H        HIS  35   2.361   6.873   5.763
  240    HA   HIS  35           HA       HIS  35   5.188   6.432   5.998
  241    HB2  HIS  35           1HB      HIS  35   3.218   6.195   3.733
  242    HB3  HIS  35           2HB      HIS  35   4.948   5.986   3.474
  243    HD1  HIS  35           HD1      HIS  35   5.970   4.142   5.395
  244    HD2  HIS  35           HD2      HIS  35   2.022   3.819   4.142
  245    HE1  HIS  35           HE1      HIS  35   5.289   1.779   5.920
  246    H    ALA  36           H        ALA  36   3.109   8.903   4.637
  247    HA   ALA  36           HA       ALA  36   5.256  10.278   3.296
  248    HB1  ALA  36           3HB      ALA  36   3.614  11.915   2.694
  249    HB2  ALA  36           1HB      ALA  36   2.900  10.315   2.496
  250    HB3  ALA  36           2HB      ALA  36   2.486  11.299   3.901
  251    H    GLY  37           H        GLY  37   6.622  11.687   4.177
  252    HA2  GLY  37           1HA      GLY  37   5.815  13.047   6.669
  253    HA3  GLY  37           2HA      GLY  37   7.399  12.301   6.515
  254    H    GLU  38           H        GLU  38   5.366  14.964   5.541
  255    HA   GLU  38           HA       GLU  38   7.776  16.381   4.627
  256    HB2  GLU  38           1HB      GLU  38   6.118  17.594   3.034
  257    HB3  GLU  38           2HB      GLU  38   6.745  16.015   2.582
  258    HG2  GLU  38           1HG      GLU  38   4.556  15.670   2.133
  259    HG3  GLU  38           2HG      GLU  38   4.563  15.196   3.830
  260    H    ASN  39           H        ASN  39   8.142  17.903   6.098
  261    HA   ASN  39           HA       ASN  39   5.940  19.683   6.843
  262    HB2  ASN  39           1HB      ASN  39   6.097  18.097   8.684
  263    HB3  ASN  39           2HB      ASN  39   7.830  18.380   8.813
  264   HD21  ASN  39          1HD2      ASN  39   4.659  19.752   9.300
  265   HD22  ASN  39          2HD2      ASN  39   5.153  21.004  10.383
  266    HA   PRO  40           HA       PRO  40   8.954  22.765   5.910
  267    HB2  PRO  40           1HB      PRO  40   7.723  24.882   7.083
  268    HB3  PRO  40           2HB      PRO  40   7.173  24.174   5.560
  269    HG2  PRO  40           1HG      PRO  40   6.126  23.753   8.332
  270    HG3  PRO  40           2HG      PRO  40   5.228  23.985   6.821
  271    HD2  PRO  40           1HD      PRO  40   5.604  21.545   7.931
  272    HD3  PRO  40           2HD      PRO  40   5.497  21.789   6.176
  273    H    SER  41           H        SER  41  10.789  23.440   6.851
  274    HA   SER  41           HA       SER  41  10.959  23.291   9.783
  275    HB2  SER  41           1HB      SER  41  12.471  21.876   8.218
  276    HB3  SER  41           2HB      SER  41  13.341  23.386   7.948
  277    HG   SER  41           HG       SER  41  13.745  21.753   9.892
  278    H    GLY  42           H        GLY  42  10.116  25.390  10.142
  279    HA2  GLY  42           1HA      GLY  42  10.130  27.720  10.118
  280    HA3  GLY  42           2HA      GLY  42  11.743  27.412  10.746
  281    HA   PRO  43           HA       PRO  43  13.332  29.682   7.334
  282    HB2  PRO  43           1HB      PRO  43  15.880  28.745   7.347
  283    HB3  PRO  43           2HB      PRO  43  15.267  29.877   8.558
  284    HG2  PRO  43           1HG      PRO  43  15.607  26.908   8.740
  285    HG3  PRO  43           2HG      PRO  43  15.989  28.154   9.943
  286    HD2  PRO  43           1HD      PRO  43  13.739  26.653  10.066
  287    HD3  PRO  43           2HD      PRO  43  13.800  28.332  10.640
  288    H    SER  44           H        SER  44  14.497  29.348   5.249
  289    HA   SER  44           HA       SER  44  14.300  28.405   3.161
  290    HB2  SER  44           1HB      SER  44  15.579  26.292   2.973
  291    HB3  SER  44           2HB      SER  44  16.413  27.483   3.970
  292    HG   SER  44           HG       SER  44  16.110  25.141   4.713
  293    H    SER  45           H        SER  45  11.846  28.294   4.309
  294    HA   SER  45           HA       SER  45  10.852  25.563   4.036
  295    HB2  SER  45           1HB      SER  45   8.712  26.501   4.860
  296    HB3  SER  45           2HB      SER  45  10.052  26.844   5.955
  297    HG   SER  45           HG       SER  45   9.013  28.634   4.009
  298    H    GLY  46           H        GLY  46  10.352  28.781   2.621
  299    HA2  GLY  46           1HA      GLY  46   9.108  27.444   0.296
  300    HA3  GLY  46           2HA      GLY  46   8.572  29.008   0.892
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1 -13.272  -5.141  16.730
    2    HA2  GLY   1           1HA      GLY   1 -12.135  -7.281  18.424
    3    HA3  GLY   1           2HA      GLY   1 -13.650  -7.474  17.555
    4    H    SER   2           H        SER   2 -11.314  -9.134  17.346
    5    HA   SER   2           HA       SER   2 -10.728  -8.733  14.490
    6    HB2  SER   2           1HB      SER   2  -8.785  -9.685  16.608
    7    HB3  SER   2           2HB      SER   2  -8.454  -9.631  14.877
    8    HG   SER   2           HG       SER   2  -8.157  -7.547  14.999
    9    H    SER   3           H        SER   3 -10.678 -10.559  13.218
   10    HA   SER   3           HA       SER   3 -11.350 -13.103  14.541
   11    HB2  SER   3           1HB      SER   3 -13.034 -13.586  12.967
   12    HB3  SER   3           2HB      SER   3 -13.292 -11.886  13.357
   13    HG   SER   3           HG       SER   3 -12.094 -11.379  11.449
   14    H    GLY   4           H        GLY   4 -11.167 -14.953  12.804
   15    HA2  GLY   4           1HA      GLY   4  -8.423 -14.861  11.884
   16    HA3  GLY   4           2HA      GLY   4  -9.486 -16.260  11.865
   17    H    SER   5           H        SER   5  -7.799 -15.620   9.739
   18    HA   SER   5           HA       SER   5  -9.368 -14.283   7.707
   19    HB2  SER   5           1HB      SER   5  -7.449 -14.806   6.226
   20    HB3  SER   5           2HB      SER   5  -6.946 -13.983   7.702
   21    HG   SER   5           HG       SER   5  -6.513 -16.615   6.886
   22    H    SER   6           H        SER   6  -8.052 -17.560   8.177
   23    HA   SER   6           HA       SER   6  -8.606 -19.564   7.234
   24    HB2  SER   6           1HB      SER   6 -10.514 -19.201   8.775
   25    HB3  SER   6           2HB      SER   6 -11.402 -18.422   7.465
   26    HG   SER   6           HG       SER   6 -10.961 -21.086   7.951
   27    H    GLY   7           H        GLY   7  -7.797 -17.713   5.329
   28    HA2  GLY   7           1HA      GLY   7  -8.619 -18.890   2.946
   29    HA3  GLY   7           2HA      GLY   7  -9.602 -17.449   3.161
   30    H    THR   8           H        THR   8  -6.742 -18.652   1.926
   31    HA   THR   8           HA       THR   8  -4.743 -16.892   2.245
   32    HB   THR   8           HB       THR   8  -4.114 -17.190  -0.121
   33    HG1  THR   8           HG1      THR   8  -5.837 -17.270  -1.384
   34   HG21  THR   8          3HG2      THR   8  -5.092 -19.889   0.445
   35   HG22  THR   8          1HG2      THR   8  -4.285 -19.125   1.814
   36   HG23  THR   8          2HG2      THR   8  -3.440 -19.296   0.275
   37    H    LYS   9           H        LYS   9  -7.485 -16.344   0.040
   38    HA   LYS   9           HA       LYS   9  -6.963 -14.017  -1.148
   39    HB2  LYS   9           1HB      LYS   9  -9.488 -14.879   0.240
   40    HB3  LYS   9           2HB      LYS   9  -9.406 -13.352  -0.629
   41    HG2  LYS   9           1HG      LYS   9  -8.545 -15.842  -2.014
   42    HG3  LYS   9           2HG      LYS   9 -10.268 -15.526  -1.801
   43    HD2  LYS   9           1HD      LYS   9  -8.515 -13.362  -2.872
   44    HD3  LYS   9           2HD      LYS   9  -9.001 -14.681  -3.940
   45    HE2  LYS   9           1HE      LYS   9 -10.936 -13.033  -2.323
   46    HE3  LYS   9           2HE      LYS   9 -10.492 -12.663  -3.988
   47    HZ1  LYS   9           3HZ      LYS   9 -11.262 -14.961  -4.551
   48    HZ2  LYS   9           1HZ      LYS   9 -12.486 -13.902  -4.057
   49    HZ3  LYS   9           2HZ      LYS   9 -11.899 -15.072  -2.987
   50    H    GLU  10           H        GLU  10  -7.138 -11.781  -0.706
   51    HA   GLU  10           HA       GLU  10  -7.076 -11.049   2.142
   52    HB2  GLU  10           1HB      GLU  10  -5.219  -9.563   1.790
   53    HB3  GLU  10           2HB      GLU  10  -4.769 -11.159   1.206
   54    HG2  GLU  10           1HG      GLU  10  -5.047 -10.495  -1.061
   55    HG3  GLU  10           2HG      GLU  10  -5.777  -8.964  -0.582
   56    H    HIS  11           H        HIS  11  -7.091  -8.505   2.269
   57    HA   HIS  11           HA       HIS  11  -9.575  -7.667   1.216
   58    HB2  HIS  11           1HB      HIS  11  -7.347  -6.209   2.627
   59    HB3  HIS  11           2HB      HIS  11  -8.803  -5.381   2.084
   60    HD1  HIS  11           HD1      HIS  11 -11.069  -6.974   2.962
   61    HD2  HIS  11           HD2      HIS  11  -7.601  -6.784   5.243
   62    HE1  HIS  11           HE1      HIS  11 -11.762  -7.608   5.294
   63    HA   PRO  12           HA       PRO  12  -8.580  -5.944  -2.694
   64    HB2  PRO  12           1HB      PRO  12 -10.259  -3.813  -2.792
   65    HB3  PRO  12           2HB      PRO  12 -10.818  -5.484  -2.934
   66    HG2  PRO  12           1HG      PRO  12 -10.836  -3.676  -0.548
   67    HG3  PRO  12           2HG      PRO  12 -12.099  -4.780  -1.125
   68    HD2  PRO  12           1HD      PRO  12 -10.438  -5.408   0.919
   69    HD3  PRO  12           2HD      PRO  12 -11.083  -6.629  -0.197
   70    H    PHE  13           H        PHE  13  -8.232  -4.032   0.169
   71    HA   PHE  13           HA       PHE  13  -6.569  -2.093  -1.292
   72    HB2  PHE  13           1HB      PHE  13  -7.811  -1.806   1.452
   73    HB3  PHE  13           2HB      PHE  13  -6.914  -0.567   0.580
   74    HD1  PHE  13           HD2      PHE  13  -7.870   0.300  -1.594
   75    HD2  PHE  13           HD1      PHE  13 -10.108  -2.070   1.143
   76    HE1  PHE  13           HE2      PHE  13  -9.960   1.086  -2.628
   77    HE2  PHE  13           HE1      PHE  13 -12.202  -1.288   0.113
   78    HZ   PHE  13           HZ       PHE  13 -12.129   0.292  -1.774
   79    H    LYS  14           H        LYS  14  -4.475  -2.526  -1.184
   80    HA   LYS  14           HA       LYS  14  -3.363  -3.464   1.374
   81    HB2  LYS  14           1HB      LYS  14  -3.414  -5.364  -0.133
   82    HB3  LYS  14           2HB      LYS  14  -2.632  -4.425  -1.398
   83    HG2  LYS  14           1HG      LYS  14  -0.768  -4.163   0.467
   84    HG3  LYS  14           2HG      LYS  14  -1.481  -5.677   1.029
   85    HD2  LYS  14           1HD      LYS  14  -1.258  -6.422  -1.439
   86    HD3  LYS  14           2HD      LYS  14  -0.122  -5.077  -1.575
   87    HE2  LYS  14           1HE      LYS  14   1.425  -6.070  -0.216
   88    HE3  LYS  14           2HE      LYS  14   0.210  -6.964   0.697
   89    HZ1  LYS  14           3HZ      LYS  14  -0.062  -8.457  -1.171
   90    HZ2  LYS  14           1HZ      LYS  14   1.560  -8.421  -0.690
   91    HZ3  LYS  14           2HZ      LYS  14   1.070  -7.586  -2.077
   92    H    CYS  15           H        CYS  15  -1.856  -2.150   2.147
   93    HA   CYS  15           HA       CYS  15  -0.997   0.169   0.843
   94    HB2  CYS  15           1HB      CYS  15  -0.990  -0.204   3.317
   95    HB3  CYS  15           2HB      CYS  15   0.414  -1.246   3.113
   96    H    ASN  16           H        ASN  16   0.489   0.517  -0.666
   97    HA   ASN  16           HA       ASN  16   2.240  -1.669  -1.462
   98    HB2  ASN  16           1HB      ASN  16   1.440   0.943  -2.721
   99    HB3  ASN  16           2HB      ASN  16   2.815   0.029  -3.333
  100   HD21  ASN  16          1HD2      ASN  16  -0.630   0.112  -2.940
  101   HD22  ASN  16          2HD2      ASN  16  -0.990  -1.184  -4.025
  102    H    GLU  17           H        GLU  17   2.538   0.292   0.937
  103    HA   GLU  17           HA       GLU  17   5.278   1.182   0.337
  104    HB2  GLU  17           1HB      GLU  17   3.494   2.067   2.610
  105    HB3  GLU  17           2HB      GLU  17   5.050   2.754   2.164
  106    HG2  GLU  17           1HG      GLU  17   3.897   3.212  -0.117
  107    HG3  GLU  17           2HG      GLU  17   2.408   3.016   0.806
  108    H    CYS  18           H        CYS  18   3.296  -0.617   2.623
  109    HA   CYS  18           HA       CYS  18   5.768  -1.710   3.799
  110    HB2  CYS  18           1HB      CYS  18   4.581  -1.964   5.922
  111    HB3  CYS  18           2HB      CYS  18   4.577  -0.280   5.408
  112    H    GLY  19           H        GLY  19   2.458  -2.325   2.772
  113    HA2  GLY  19           1HA      GLY  19   2.070  -4.404   1.543
  114    HA3  GLY  19           2HA      GLY  19   3.113  -5.205   2.709
  115    H    LYS  20           H        LYS  20   0.976  -2.857   3.987
  116    HA   LYS  20           HA       LYS  20  -0.423  -4.860   5.496
  117    HB2  LYS  20           1HB      LYS  20  -0.320  -1.888   5.446
  118    HB3  LYS  20           2HB      LYS  20  -1.760  -2.633   6.128
  119    HG2  LYS  20           1HG      LYS  20  -0.117  -4.016   7.543
  120    HG3  LYS  20           2HG      LYS  20   1.073  -2.798   7.077
  121    HD2  LYS  20           1HD      LYS  20  -0.303  -1.045   8.030
  122    HD3  LYS  20           2HD      LYS  20  -1.570  -2.213   8.412
  123    HE2  LYS  20           1HE      LYS  20   0.195  -3.414   9.806
  124    HE3  LYS  20           2HE      LYS  20   1.168  -1.955   9.626
  125    HZ1  LYS  20           3HZ      LYS  20  -0.077  -0.863  11.101
  126    HZ2  LYS  20           1HZ      LYS  20  -0.651  -2.382  11.575
  127    HZ3  LYS  20           2HZ      LYS  20  -1.535  -1.450  10.475
  128    H    THR  21           H        THR  21  -2.894  -4.568   5.725
  129    HA   THR  21           HA       THR  21  -4.178  -4.022   3.153
  130    HB   THR  21           HB       THR  21  -5.436  -6.126   3.211
  131    HG1  THR  21           HG1      THR  21  -4.634  -7.770   4.701
  132   HG21  THR  21          3HG2      THR  21  -3.760  -6.639   1.803
  133   HG22  THR  21          1HG2      THR  21  -3.139  -7.610   3.137
  134   HG23  THR  21          2HG2      THR  21  -2.528  -5.976   2.878
  135    H    PHE  22           H        PHE  22  -6.284  -3.340   3.298
  136    HA   PHE  22           HA       PHE  22  -7.558  -3.353   5.938
  137    HB2  PHE  22           1HB      PHE  22  -7.461  -0.877   4.212
  138    HB3  PHE  22           2HB      PHE  22  -8.084  -1.018   5.852
  139    HD1  PHE  22           HD2      PHE  22  -4.959  -1.330   3.867
  140    HD2  PHE  22           HD1      PHE  22  -6.716  -0.545   7.663
  141    HE1  PHE  22           HE2      PHE  22  -2.754  -0.693   4.752
  142    HE2  PHE  22           HE1      PHE  22  -4.514   0.095   8.554
  143    HZ   PHE  22           HZ       PHE  22  -2.529   0.021   7.098
  144    H    SER  23           H        SER  23  -9.714  -3.682   5.897
  145    HA   SER  23           HA       SER  23 -10.970  -4.757   3.681
  146    HB2  SER  23           1HB      SER  23 -11.899  -5.177   5.839
  147    HB3  SER  23           2HB      SER  23 -12.124  -3.457   6.152
  148    HG   SER  23           HG       SER  23 -13.634  -3.486   4.363
  149    H    HIS  24           H        HIS  24 -11.309  -1.459   4.978
  150    HA   HIS  24           HA       HIS  24 -12.592  -0.657   2.461
  151    HB2  HIS  24           1HB      HIS  24 -12.717   0.342   5.262
  152    HB3  HIS  24           2HB      HIS  24 -12.908   1.523   3.969
  153    HD1  HIS  24           HD1      HIS  24 -14.558  -1.501   5.465
  154    HD2  HIS  24           HD2      HIS  24 -15.326   1.420   2.612
  155    HE1  HIS  24           HE1      HIS  24 -16.990  -1.757   4.879
  156    H    SER  25           H        SER  25 -12.014   1.510   1.614
  157    HA   SER  25           HA       SER  25  -9.176   1.705   1.311
  158    HB2  SER  25           1HB      SER  25  -9.637   3.452  -0.282
  159    HB3  SER  25           2HB      SER  25 -10.838   2.181  -0.513
  160    HG   SER  25           HG       SER  25 -11.199   4.772   0.153
  161    H    ALA  26           H        ALA  26 -11.665   3.805   2.736
  162    HA   ALA  26           HA       ALA  26 -10.292   5.998   3.487
  163    HB1  ALA  26           3HB      ALA  26 -12.677   5.504   4.019
  164    HB2  ALA  26           1HB      ALA  26 -12.120   4.529   5.379
  165    HB3  ALA  26           2HB      ALA  26 -11.785   6.260   5.339
  166    H    HIS  27           H        HIS  27 -10.039   2.816   4.972
  167    HA   HIS  27           HA       HIS  27  -8.432   3.620   7.171
  168    HB2  HIS  27           1HB      HIS  27  -8.653   0.900   5.864
  169    HB3  HIS  27           2HB      HIS  27  -7.976   1.227   7.456
  170    HD1  HIS  27           HD1      HIS  27 -10.812  -0.240   6.219
  171    HD2  HIS  27           HD2      HIS  27 -10.266   2.894   8.890
  172    HE1  HIS  27           HE1      HIS  27 -12.944  -0.109   7.547
  173    H    LEU  28           H        LEU  28  -7.634   2.090   4.057
  174    HA   LEU  28           HA       LEU  28  -4.871   1.957   4.402
  175    HB2  LEU  28           1HB      LEU  28  -5.819   0.760   2.611
  176    HB3  LEU  28           2HB      LEU  28  -6.598   2.200   1.959
  177    HG   LEU  28           HG       LEU  28  -4.393   3.071   1.297
  178   HD11  LEU  28          1HD1      LEU  28  -2.486   1.431   1.309
  179   HD12  LEU  28          2HD1      LEU  28  -3.432   0.456   2.434
  180   HD13  LEU  28          3HD1      LEU  28  -2.934   2.087   2.884
  181   HD21  LEU  28          3HD2      LEU  28  -4.186   1.764  -0.625
  182   HD22  LEU  28          1HD2      LEU  28  -5.865   1.536  -0.137
  183   HD23  LEU  28          2HD2      LEU  28  -4.668   0.288   0.211
  184    H    SER  29           H        SER  29  -6.702   4.426   2.586
  185    HA   SER  29           HA       SER  29  -4.661   6.143   1.966
  186    HB2  SER  29           1HB      SER  29  -6.305   7.876   1.739
  187    HB3  SER  29           2HB      SER  29  -7.083   6.359   1.289
  188    HG   SER  29           HG       SER  29  -7.740   8.084   3.243
  189    H    LYS  30           H        LYS  30  -6.424   5.904   5.015
  190    HA   LYS  30           HA       LYS  30  -5.197   8.156   6.238
  191    HB2  LYS  30           1HB      LYS  30  -7.363   6.827   6.882
  192    HB3  LYS  30           2HB      LYS  30  -6.250   5.840   7.821
  193    HG2  LYS  30           1HG      LYS  30  -5.450   8.145   8.752
  194    HG3  LYS  30           2HG      LYS  30  -7.032   8.691   8.191
  195    HD2  LYS  30           1HD      LYS  30  -8.050   6.816   9.500
  196    HD3  LYS  30           2HD      LYS  30  -6.449   6.491  10.170
  197    HE2  LYS  30           1HE      LYS  30  -7.379   7.847  11.790
  198    HE3  LYS  30           2HE      LYS  30  -6.496   9.012  10.804
  199    HZ1  LYS  30           3HZ      LYS  30  -8.738   9.772  11.344
  200    HZ2  LYS  30           1HZ      LYS  30  -9.397   8.424  10.563
  201    HZ3  LYS  30           2HZ      LYS  30  -8.538   9.580   9.675
  202    H    HIS  31           H        HIS  31  -4.528   4.679   6.298
  203    HA   HIS  31           HA       HIS  31  -2.370   4.872   8.148
  204    HB2  HIS  31           1HB      HIS  31  -3.242   2.734   8.099
  205    HB3  HIS  31           2HB      HIS  31  -3.456   2.746   6.351
  206    HD1  HIS  31           HD1      HIS  31  -0.923   2.047   9.009
  207    HD2  HIS  31           HD2      HIS  31  -1.236   1.907   4.869
  208    HE1  HIS  31           HE1      HIS  31   1.098   0.773   8.225
  209    H    GLN  32           H        GLN  32  -2.676   5.644   4.868
  210    HA   GLN  32           HA       GLN  32   0.033   5.086   4.090
  211    HB2  GLN  32           1HB      GLN  32  -2.242   6.585   2.816
  212    HB3  GLN  32           2HB      GLN  32  -0.631   6.596   2.113
  213    HG2  GLN  32           1HG      GLN  32  -0.840   4.006   2.294
  214    HG3  GLN  32           2HG      GLN  32  -2.568   4.348   2.377
  215   HE21  GLN  32          1HE2      GLN  32  -1.651   2.870   0.326
  216   HE22  GLN  32          2HE2      GLN  32  -1.698   3.772  -1.147
  217    H    LEU  33           H        LEU  33  -1.760   7.870   5.268
  218    HA   LEU  33           HA       LEU  33   0.057   9.898   4.728
  219    HB2  LEU  33           1HB      LEU  33  -1.761   9.568   7.109
  220    HB3  LEU  33           2HB      LEU  33  -0.940  11.065   6.670
  221    HG   LEU  33           HG       LEU  33  -2.838   9.724   4.772
  222   HD11  LEU  33          1HD1      LEU  33  -3.475  11.436   7.144
  223   HD12  LEU  33          2HD1      LEU  33  -4.257   9.954   6.596
  224   HD13  LEU  33          3HD1      LEU  33  -4.495  11.458   5.706
  225   HD21  LEU  33          3HD2      LEU  33  -1.185  12.000   4.679
  226   HD22  LEU  33          1HD2      LEU  33  -2.845  12.583   4.793
  227   HD23  LEU  33          2HD2      LEU  33  -2.386  11.481   3.496
  228    H    ILE  34           H        ILE  34   0.244   7.318   7.006
  229    HA   ILE  34           HA       ILE  34   2.122   8.498   8.789
  230    HB   ILE  34           HB       ILE  34   2.240   6.459   9.859
  231   HG12  ILE  34          1HG1      ILE  34   1.781   5.215   7.149
  232   HG13  ILE  34          2HG1      ILE  34   3.209   5.092   8.170
  233   HG21  ILE  34          1HG2      ILE  34   0.057   5.741  10.132
  234   HG22  ILE  34          2HG2      ILE  34  -0.157   7.345   9.434
  235   HG23  ILE  34          3HG2      ILE  34  -0.323   5.912   8.418
  236   HD11  ILE  34          3HD1      ILE  34   2.204   3.036   8.435
  237   HD12  ILE  34          1HD1      ILE  34   1.620   3.929   9.838
  238   HD13  ILE  34          2HD1      ILE  34   0.576   3.715   8.432
  239    H    HIS  35           H        HIS  35   2.370   6.825   5.745
  240    HA   HIS  35           HA       HIS  35   5.207   6.360   5.963
  241    HB2  HIS  35           1HB      HIS  35   3.195   6.016   3.749
  242    HB3  HIS  35           2HB      HIS  35   4.921   5.803   3.467
  243    HD1  HIS  35           HD1      HIS  35   5.974   4.063   5.486
  244    HD2  HIS  35           HD2      HIS  35   2.032   3.642   4.244
  245    HE1  HIS  35           HE1      HIS  35   5.317   1.719   6.116
  246    H    ALA  36           H        ALA  36   3.083   8.699   4.404
  247    HA   ALA  36           HA       ALA  36   4.803  10.018   2.725
  248    HB1  ALA  36           3HB      ALA  36   3.270  11.707   2.662
  249    HB2  ALA  36           1HB      ALA  36   2.284  10.444   3.400
  250    HB3  ALA  36           2HB      ALA  36   3.016  11.694   4.407
  251    H    GLY  37           H        GLY  37   4.262  10.802   6.168
  252    HA2  GLY  37           1HA      GLY  37   6.983  11.278   6.721
  253    HA3  GLY  37           2HA      GLY  37   6.207  12.811   6.351
  254    H    GLU  38           H        GLU  38   3.834  12.761   7.509
  255    HA   GLU  38           HA       GLU  38   4.418  13.080  10.256
  256    HB2  GLU  38           1HB      GLU  38   2.154  13.730  10.521
  257    HB3  GLU  38           2HB      GLU  38   2.636  14.292   8.927
  258    HG2  GLU  38           1HG      GLU  38   1.362  11.623   9.124
  259    HG3  GLU  38           2HG      GLU  38   0.346  13.046   9.349
  260    H    ASN  39           H        ASN  39   3.223  12.012  12.035
  261    HA   ASN  39           HA       ASN  39   2.447   9.247  11.494
  262    HB2  ASN  39           1HB      ASN  39   4.359   9.826  13.743
  263    HB3  ASN  39           2HB      ASN  39   3.963   8.277  13.006
  264   HD21  ASN  39          1HD2      ASN  39   5.424   7.484  11.690
  265   HD22  ASN  39          2HD2      ASN  39   6.612   8.388  10.820
  266    HA   PRO  40           HA       PRO  40  -0.701  10.194  14.424
  267    HB2  PRO  40           1HB      PRO  40  -1.431   7.666  15.093
  268    HB3  PRO  40           2HB      PRO  40  -1.846   8.408  13.543
  269    HG2  PRO  40           1HG      PRO  40   0.365   6.499  14.198
  270    HG3  PRO  40           2HG      PRO  40  -0.723   6.512  12.798
  271    HD2  PRO  40           1HD      PRO  40   1.810   7.462  12.683
  272    HD3  PRO  40           2HD      PRO  40   0.490   8.144  11.712
  273    H    SER  41           H        SER  41   1.572   7.618  15.373
  274    HA   SER  41           HA       SER  41   2.148   8.928  17.861
  275    HB2  SER  41           1HB      SER  41   0.385   6.500  17.784
  276    HB3  SER  41           2HB      SER  41   1.470   6.756  19.150
  277    HG   SER  41           HG       SER  41   0.186   8.258  19.855
  278    H    GLY  42           H        GLY  42   4.217   8.554  18.313
  279    HA2  GLY  42           1HA      GLY  42   6.170   7.324  18.631
  280    HA3  GLY  42           2HA      GLY  42   5.388   5.937  17.887
  281    HA   PRO  43           HA       PRO  43   8.210   8.476  14.913
  282    HB2  PRO  43           1HB      PRO  43  10.636   7.349  15.376
  283    HB3  PRO  43           2HB      PRO  43  10.077   8.802  16.212
  284    HG2  PRO  43           1HG      PRO  43  10.081   5.960  17.151
  285    HG3  PRO  43           2HG      PRO  43  10.524   7.431  18.036
  286    HD2  PRO  43           1HD      PRO  43   8.121   6.220  18.334
  287    HD3  PRO  43           2HD      PRO  43   8.328   7.977  18.478
  288    H    SER  44           H        SER  44   9.563   7.477  13.132
  289    HA   SER  44           HA       SER  44   8.659   4.718  12.622
  290    HB2  SER  44           1HB      SER  44   8.550   5.271  10.248
  291    HB3  SER  44           2HB      SER  44   7.554   6.396  11.171
  292    HG   SER  44           HG       SER  44   9.796   6.864   9.665
  293    H    SER  45           H        SER  45  10.114   3.248  11.870
  294    HA   SER  45           HA       SER  45  12.843   4.176  11.303
  295    HB2  SER  45           1HB      SER  45  11.968   2.193  13.369
  296    HB3  SER  45           2HB      SER  45  13.520   1.964  12.563
  297    HG   SER  45           HG       SER  45  14.200   3.323  14.017
  298    H    GLY  46           H        GLY  46  13.224   3.600   9.268
  299    HA2  GLY  46           1HA      GLY  46  13.743   1.240   8.208
  300    HA3  GLY  46           2HA      GLY  46  11.987   1.181   8.187
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1  -3.134 -22.468  23.071
    2    HA2  GLY   1           1HA      GLY   1  -2.063 -20.812  20.870
    3    HA3  GLY   1           2HA      GLY   1  -3.633 -21.597  20.774
    4    H    SER   2           H        SER   2  -1.776 -19.161  22.538
    5    HA   SER   2           HA       SER   2  -3.634 -18.084  24.206
    6    HB2  SER   2           1HB      SER   2  -1.411 -16.881  22.613
    7    HB3  SER   2           2HB      SER   2  -2.516 -15.799  23.461
    8    HG   SER   2           HG       SER   2  -1.688 -16.401  25.306
    9    H    SER   3           H        SER   3  -3.309 -17.424  20.738
   10    HA   SER   3           HA       SER   3  -6.119 -16.788  20.565
   11    HB2  SER   3           1HB      SER   3  -4.969 -14.631  21.251
   12    HB3  SER   3           2HB      SER   3  -4.146 -14.672  19.692
   13    HG   SER   3           HG       SER   3  -6.324 -14.791  18.767
   14    H    GLY   4           H        GLY   4  -6.941 -17.164  18.555
   15    HA2  GLY   4           1HA      GLY   4  -5.050 -18.250  16.593
   16    HA3  GLY   4           2HA      GLY   4  -6.781 -18.548  16.631
   17    H    SER   5           H        SER   5  -6.820 -18.046  14.372
   18    HA   SER   5           HA       SER   5  -6.908 -15.147  13.892
   19    HB2  SER   5           1HB      SER   5  -4.868 -15.799  12.847
   20    HB3  SER   5           2HB      SER   5  -5.603 -17.246  12.156
   21    HG   SER   5           HG       SER   5  -6.778 -15.959  10.764
   22    H    SER   6           H        SER   6  -8.383 -14.472  12.266
   23    HA   SER   6           HA       SER   6 -10.855 -15.719  12.296
   24    HB2  SER   6           1HB      SER   6 -10.452 -13.343  11.660
   25    HB3  SER   6           2HB      SER   6  -9.812 -13.898  10.113
   26    HG   SER   6           HG       SER   6 -12.449 -14.025  11.094
   27    H    GLY   7           H        GLY   7  -8.600 -15.609   9.526
   28    HA2  GLY   7           1HA      GLY   7  -8.328 -18.112   8.741
   29    HA3  GLY   7           2HA      GLY   7 -10.018 -17.867   8.326
   30    H    THR   8           H        THR   8  -8.592 -18.551   6.266
   31    HA   THR   8           HA       THR   8  -7.046 -16.747   4.877
   32    HB   THR   8           HB       THR   8  -7.278 -18.937   3.981
   33    HG1  THR   8           HG1      THR   8  -7.561 -16.825   2.511
   34   HG21  THR   8          3HG2      THR   8  -9.284 -19.874   4.481
   35   HG22  THR   8          1HG2      THR   8  -9.676 -19.349   2.844
   36   HG23  THR   8          2HG2      THR   8 -10.172 -18.372   4.226
   37    H    LYS   9           H        LYS   9  -7.686 -14.623   5.039
   38    HA   LYS   9           HA       LYS   9 -10.023 -13.897   3.420
   39    HB2  LYS   9           1HB      LYS   9  -9.448 -13.090   6.245
   40    HB3  LYS   9           2HB      LYS   9 -10.273 -11.960   5.179
   41    HG2  LYS   9           1HG      LYS   9 -12.073 -13.500   4.835
   42    HG3  LYS   9           2HG      LYS   9 -11.214 -14.769   5.710
   43    HD2  LYS   9           1HD      LYS   9 -11.555 -13.755   7.769
   44    HD3  LYS   9           2HD      LYS   9 -11.828 -12.165   7.052
   45    HE2  LYS   9           1HE      LYS   9 -13.945 -13.068   6.071
   46    HE3  LYS   9           2HE      LYS   9 -13.685 -14.540   7.007
   47    HZ1  LYS   9           3HZ      LYS   9 -14.352 -11.835   7.956
   48    HZ2  LYS   9           1HZ      LYS   9 -13.533 -12.904   8.981
   49    HZ3  LYS   9           2HZ      LYS   9 -15.055 -13.317   8.370
   50    H    GLU  10           H        GLU  10  -9.607 -12.343   1.977
   51    HA   GLU  10           HA       GLU  10  -7.108 -10.814   2.291
   52    HB2  GLU  10           1HB      GLU  10  -6.908 -10.753  -0.108
   53    HB3  GLU  10           2HB      GLU  10  -7.129 -12.423   0.393
   54    HG2  GLU  10           1HG      GLU  10  -9.352 -12.469  -0.373
   55    HG3  GLU  10           2HG      GLU  10  -9.412 -10.716  -0.540
   56    H    HIS  11           H        HIS  11  -7.087  -8.634   1.525
   57    HA   HIS  11           HA       HIS  11  -9.757  -7.387   1.546
   58    HB2  HIS  11           1HB      HIS  11  -7.158  -6.069   2.342
   59    HB3  HIS  11           2HB      HIS  11  -8.789  -5.448   2.577
   60    HD1  HIS  11           HD1      HIS  11  -7.119  -5.576   5.030
   61    HD2  HIS  11           HD2      HIS  11  -9.369  -8.816   3.726
   62    HE1  HIS  11           HE1      HIS  11  -7.475  -7.010   7.065
   63    HA   PRO  12           HA       PRO  12  -9.011  -5.889  -2.522
   64    HB2  PRO  12           1HB      PRO  12 -10.666  -3.736  -2.511
   65    HB3  PRO  12           2HB      PRO  12 -11.255  -5.400  -2.594
   66    HG2  PRO  12           1HG      PRO  12 -11.067  -3.574  -0.230
   67    HG3  PRO  12           2HG      PRO  12 -12.384  -4.665  -0.699
   68    HD2  PRO  12           1HD      PRO  12 -10.579  -5.299   1.218
   69    HD3  PRO  12           2HD      PRO  12 -11.323  -6.520   0.166
   70    H    PHE  13           H        PHE  13  -8.205  -4.142   0.289
   71    HA   PHE  13           HA       PHE  13  -6.658  -2.215  -1.316
   72    HB2  PHE  13           1HB      PHE  13  -7.794  -1.769   1.452
   73    HB3  PHE  13           2HB      PHE  13  -6.884  -0.600   0.500
   74    HD1  PHE  13           HD2      PHE  13  -7.882   0.255  -1.642
   75    HD2  PHE  13           HD1      PHE  13 -10.109  -2.008   1.193
   76    HE1  PHE  13           HE2      PHE  13  -9.977   1.072  -2.640
   77    HE2  PHE  13           HE1      PHE  13 -12.208  -1.195   0.199
   78    HZ   PHE  13           HZ       PHE  13 -12.144   0.348  -1.720
   79    H    LYS  14           H        LYS  14  -4.561  -2.629  -1.230
   80    HA   LYS  14           HA       LYS  14  -3.403  -3.547   1.314
   81    HB2  LYS  14           1HB      LYS  14  -3.463  -5.507  -0.038
   82    HB3  LYS  14           2HB      LYS  14  -2.892  -4.633  -1.453
   83    HG2  LYS  14           1HG      LYS  14  -1.138  -4.707   0.941
   84    HG3  LYS  14           2HG      LYS  14  -1.297  -6.174  -0.027
   85    HD2  LYS  14           1HD      LYS  14  -0.753  -4.753  -2.044
   86    HD3  LYS  14           2HD      LYS  14  -0.330  -3.463  -0.915
   87    HE2  LYS  14           1HE      LYS  14   1.724  -4.421  -1.199
   88    HE3  LYS  14           2HE      LYS  14   1.139  -5.369   0.168
   89    HZ1  LYS  14           3HZ      LYS  14   0.461  -7.104  -1.360
   90    HZ2  LYS  14           1HZ      LYS  14   2.108  -6.769  -1.552
   91    HZ3  LYS  14           2HZ      LYS  14   0.991  -6.191  -2.682
   92    H    CYS  15           H        CYS  15  -1.882  -2.213   2.017
   93    HA   CYS  15           HA       CYS  15  -0.968   0.004   0.537
   94    HB2  CYS  15           1HB      CYS  15  -1.065  -0.003   2.989
   95    HB3  CYS  15           2HB      CYS  15   0.191  -1.235   3.042
   96    H    ASN  16           H        ASN  16   0.837   0.367  -0.645
   97    HA   ASN  16           HA       ASN  16   2.451  -1.977  -1.322
   98    HB2  ASN  16           1HB      ASN  16   1.330  -0.560  -3.102
   99    HB3  ASN  16           2HB      ASN  16   2.474   0.714  -2.691
  100   HD21  ASN  16          1HD2      ASN  16   2.477  -0.118  -5.208
  101   HD22  ASN  16          2HD2      ASN  16   3.864  -1.090  -5.550
  102    H    GLU  17           H        GLU  17   2.602   0.845   0.544
  103    HA   GLU  17           HA       GLU  17   5.392   1.386   0.319
  104    HB2  GLU  17           1HB      GLU  17   3.495   2.101   2.561
  105    HB3  GLU  17           2HB      GLU  17   5.075   2.816   2.271
  106    HG2  GLU  17           1HG      GLU  17   4.001   3.360  -0.079
  107    HG3  GLU  17           2HG      GLU  17   2.507   3.238   0.849
  108    H    CYS  18           H        CYS  18   3.407  -0.438   2.617
  109    HA   CYS  18           HA       CYS  18   5.885  -1.605   3.706
  110    HB2  CYS  18           1HB      CYS  18   4.688  -1.946   5.819
  111    HB3  CYS  18           2HB      CYS  18   4.709  -0.243   5.373
  112    H    GLY  19           H        GLY  19   2.469  -2.238   2.969
  113    HA2  GLY  19           1HA      GLY  19   2.105  -4.268   1.570
  114    HA3  GLY  19           2HA      GLY  19   3.170  -5.096   2.696
  115    H    LYS  20           H        LYS  20   0.926  -2.762   3.914
  116    HA   LYS  20           HA       LYS  20  -0.387  -4.796   5.480
  117    HB2  LYS  20           1HB      LYS  20  -0.369  -1.821   5.405
  118    HB3  LYS  20           2HB      LYS  20  -1.781  -2.604   6.102
  119    HG2  LYS  20           1HG      LYS  20   0.019  -3.948   7.453
  120    HG3  LYS  20           2HG      LYS  20   1.033  -2.555   7.066
  121    HD2  LYS  20           1HD      LYS  20  -0.342  -1.078   8.238
  122    HD3  LYS  20           2HD      LYS  20  -1.711  -2.194   8.223
  123    HE2  LYS  20           1HE      LYS  20   0.843  -2.836   9.667
  124    HE3  LYS  20           2HE      LYS  20  -0.438  -1.891  10.425
  125    HZ1  LYS  20           3HZ      LYS  20  -0.467  -4.714   9.593
  126    HZ2  LYS  20           1HZ      LYS  20  -1.920  -3.854   9.696
  127    HZ3  LYS  20           2HZ      LYS  20  -0.942  -4.029  11.065
  128    H    THR  21           H        THR  21  -2.862  -4.579   5.709
  129    HA   THR  21           HA       THR  21  -4.159  -4.095   3.128
  130    HB   THR  21           HB       THR  21  -5.401  -6.229   3.283
  131    HG1  THR  21           HG1      THR  21  -5.307  -7.065   5.244
  132   HG21  THR  21          3HG2      THR  21  -3.821  -6.823   1.818
  133   HG22  THR  21          1HG2      THR  21  -2.976  -7.584   3.165
  134   HG23  THR  21          2HG2      THR  21  -2.578  -5.931   2.695
  135    H    PHE  22           H        PHE  22  -6.208  -3.324   3.277
  136    HA   PHE  22           HA       PHE  22  -7.524  -3.370   5.900
  137    HB2  PHE  22           1HB      PHE  22  -7.450  -0.890   4.184
  138    HB3  PHE  22           2HB      PHE  22  -8.022  -1.041   5.842
  139    HD1  PHE  22           HD2      PHE  22  -4.954  -1.349   3.766
  140    HD2  PHE  22           HD1      PHE  22  -6.607  -0.551   7.607
  141    HE1  PHE  22           HE2      PHE  22  -2.726  -0.705   4.588
  142    HE2  PHE  22           HE1      PHE  22  -4.381   0.095   8.434
  143    HZ   PHE  22           HZ       PHE  22  -2.437   0.017   6.924
  144    H    SER  23           H        SER  23  -9.718  -3.568   5.851
  145    HA   SER  23           HA       SER  23 -10.934  -4.648   3.574
  146    HB2  SER  23           1HB      SER  23 -11.636  -4.877   6.035
  147    HB3  SER  23           2HB      SER  23 -12.471  -3.339   5.814
  148    HG   SER  23           HG       SER  23 -13.505  -4.424   3.958
  149    H    HIS  24           H        HIS  24 -11.338  -1.431   5.046
  150    HA   HIS  24           HA       HIS  24 -12.688  -0.524   2.607
  151    HB2  HIS  24           1HB      HIS  24 -12.669   0.372   5.444
  152    HB3  HIS  24           2HB      HIS  24 -12.900   1.606   4.209
  153    HD1  HIS  24           HD1      HIS  24 -15.027   0.381   6.358
  154    HD2  HIS  24           HD2      HIS  24 -14.876  -0.252   2.255
  155    HE1  HIS  24           HE1      HIS  24 -17.359  -0.285   5.694
  156    H    SER  25           H        SER  25 -12.069   1.471   1.606
  157    HA   SER  25           HA       SER  25  -9.268   1.714   1.255
  158    HB2  SER  25           1HB      SER  25  -9.840   3.639  -0.198
  159    HB3  SER  25           2HB      SER  25 -10.820   2.219  -0.561
  160    HG   SER  25           HG       SER  25 -12.364   3.271   1.000
  161    H    ALA  26           H        ALA  26 -11.674   3.778   2.855
  162    HA   ALA  26           HA       ALA  26 -10.217   5.958   3.558
  163    HB1  ALA  26           3HB      ALA  26 -12.076   4.509   5.437
  164    HB2  ALA  26           1HB      ALA  26 -11.646   6.219   5.481
  165    HB3  ALA  26           2HB      ALA  26 -12.593   5.581   4.136
  166    H    HIS  27           H        HIS  27 -10.046   2.761   5.029
  167    HA   HIS  27           HA       HIS  27  -8.374   3.485   7.198
  168    HB2  HIS  27           1HB      HIS  27  -8.775   0.813   5.837
  169    HB3  HIS  27           2HB      HIS  27  -7.916   1.044   7.358
  170    HD1  HIS  27           HD1      HIS  27 -10.987  -0.155   6.315
  171    HD2  HIS  27           HD2      HIS  27  -9.905   2.675   9.157
  172    HE1  HIS  27           HE1      HIS  27 -12.944   0.002   7.886
  173    H    LEU  28           H        LEU  28  -7.709   2.224   3.956
  174    HA   LEU  28           HA       LEU  28  -4.919   1.953   4.281
  175    HB2  LEU  28           1HB      LEU  28  -5.863   0.792   2.486
  176    HB3  LEU  28           2HB      LEU  28  -6.721   2.216   1.901
  177    HG   LEU  28           HG       LEU  28  -4.539   3.182   1.211
  178   HD11  LEU  28          1HD1      LEU  28  -2.629   1.581   1.026
  179   HD12  LEU  28          2HD1      LEU  28  -3.522   0.484   2.079
  180   HD13  LEU  28          3HD1      LEU  28  -3.024   2.067   2.675
  181   HD21  LEU  28          3HD2      LEU  28  -4.677   2.197  -0.818
  182   HD22  LEU  28          1HD2      LEU  28  -6.124   1.470  -0.119
  183   HD23  LEU  28          2HD2      LEU  28  -4.611   0.564  -0.153
  184    H    SER  29           H        SER  29  -6.712   4.442   2.454
  185    HA   SER  29           HA       SER  29  -4.673   6.153   1.861
  186    HB2  SER  29           1HB      SER  29  -6.912   6.565   1.047
  187    HB3  SER  29           2HB      SER  29  -7.500   6.852   2.685
  188    HG   SER  29           HG       SER  29  -5.376   8.423   1.829
  189    H    LYS  30           H        LYS  30  -6.456   5.958   4.910
  190    HA   LYS  30           HA       LYS  30  -5.182   8.169   6.145
  191    HB2  LYS  30           1HB      LYS  30  -7.354   6.805   6.784
  192    HB3  LYS  30           2HB      LYS  30  -6.220   5.878   7.758
  193    HG2  LYS  30           1HG      LYS  30  -5.784   7.631   9.171
  194    HG3  LYS  30           2HG      LYS  30  -6.216   8.849   7.969
  195    HD2  LYS  30           1HD      LYS  30  -8.310   6.984   9.005
  196    HD3  LYS  30           2HD      LYS  30  -7.809   8.365   9.984
  197    HE2  LYS  30           1HE      LYS  30  -8.605   9.904   8.454
  198    HE3  LYS  30           2HE      LYS  30  -8.525   8.765   7.111
  199    HZ1  LYS  30           3HZ      LYS  30 -10.429   8.446   9.357
  200    HZ2  LYS  30           1HZ      LYS  30 -10.451   7.669   7.854
  201    HZ3  LYS  30           2HZ      LYS  30 -10.810   9.318   7.959
  202    H    HIS  31           H        HIS  31  -4.538   4.689   6.156
  203    HA   HIS  31           HA       HIS  31  -2.393   4.815   8.017
  204    HB2  HIS  31           1HB      HIS  31  -3.285   2.684   7.863
  205    HB3  HIS  31           2HB      HIS  31  -3.434   2.759   6.109
  206    HD1  HIS  31           HD1      HIS  31  -0.999   1.969   8.834
  207    HD2  HIS  31           HD2      HIS  31  -1.161   1.970   4.683
  208    HE1  HIS  31           HE1      HIS  31   1.052   0.724   8.081
  209    H    GLN  32           H        GLN  32  -2.662   5.715   4.766
  210    HA   GLN  32           HA       GLN  32   0.068   5.202   4.017
  211    HB2  GLN  32           1HB      GLN  32  -2.177   6.745   2.728
  212    HB3  GLN  32           2HB      GLN  32  -0.558   6.691   2.043
  213    HG2  GLN  32           1HG      GLN  32  -0.832   4.133   2.167
  214    HG3  GLN  32           2HG      GLN  32  -2.550   4.484   2.343
  215   HE21  GLN  32          1HE2      GLN  32  -0.899   3.220   0.178
  216   HE22  GLN  32          2HE2      GLN  32  -1.347   4.069  -1.258
  217    H    LEU  33           H        LEU  33  -1.751   7.850   5.379
  218    HA   LEU  33           HA       LEU  33   0.061   9.938   4.875
  219    HB2  LEU  33           1HB      LEU  33  -1.883   9.552   7.145
  220    HB3  LEU  33           2HB      LEU  33  -1.032  11.057   6.803
  221    HG   LEU  33           HG       LEU  33  -2.871   9.764   4.806
  222   HD11  LEU  33          1HD1      LEU  33  -3.547  11.108   7.284
  223   HD12  LEU  33          2HD1      LEU  33  -4.578  10.232   6.153
  224   HD13  LEU  33          3HD1      LEU  33  -4.207  11.933   5.872
  225   HD21  LEU  33          3HD2      LEU  33  -2.429  12.682   4.992
  226   HD22  LEU  33          1HD2      LEU  33  -2.622  11.648   3.576
  227   HD23  LEU  33          2HD2      LEU  33  -1.075  11.706   4.421
  228    H    ILE  34           H        ILE  34   0.225   7.272   7.012
  229    HA   ILE  34           HA       ILE  34   1.980   8.433   8.947
  230    HB   ILE  34           HB       ILE  34   2.065   6.366   9.966
  231   HG12  ILE  34          1HG1      ILE  34   1.731   5.181   7.210
  232   HG13  ILE  34          2HG1      ILE  34   3.132   5.070   8.269
  233   HG21  ILE  34          1HG2      ILE  34  -0.134   5.477   9.983
  234   HG22  ILE  34          2HG2      ILE  34  -0.285   7.198   9.634
  235   HG23  ILE  34          3HG2      ILE  34  -0.438   6.018   8.333
  236   HD11  ILE  34          3HD1      ILE  34   2.012   2.973   8.284
  237   HD12  ILE  34          1HD1      ILE  34   1.740   3.742   9.847
  238   HD13  ILE  34          2HD1      ILE  34   0.462   3.739   8.630
  239    H    HIS  35           H        HIS  35   2.379   6.910   5.853
  240    HA   HIS  35           HA       HIS  35   5.187   6.378   6.173
  241    HB2  HIS  35           1HB      HIS  35   3.298   6.286   3.829
  242    HB3  HIS  35           2HB      HIS  35   5.030   6.042   3.628
  243    HD1  HIS  35           HD1      HIS  35   5.975   4.054   5.370
  244    HD2  HIS  35           HD2      HIS  35   1.982   3.967   4.225
  245    HE1  HIS  35           HE1      HIS  35   5.203   1.700   5.801
  246    H    ALA  36           H        ALA  36   3.208   8.926   4.779
  247    HA   ALA  36           HA       ALA  36   5.410  10.313   3.577
  248    HB1  ALA  36           3HB      ALA  36   3.742  11.280   2.483
  249    HB2  ALA  36           1HB      ALA  36   2.569  10.512   3.554
  250    HB3  ALA  36           2HB      ALA  36   3.245  12.087   3.970
  251    H    GLY  37           H        GLY  37   3.328  10.984   6.400
  252    HA2  GLY  37           1HA      GLY  37   3.799  12.067   8.374
  253    HA3  GLY  37           2HA      GLY  37   5.504  11.930   7.969
  254    H    GLU  38           H        GLU  38   2.986  13.558   6.098
  255    HA   GLU  38           HA       GLU  38   4.599  15.921   5.889
  256    HB2  GLU  38           1HB      GLU  38   2.864  14.877   4.201
  257    HB3  GLU  38           2HB      GLU  38   1.719  15.871   5.090
  258    HG2  GLU  38           1HG      GLU  38   2.466  17.068   3.158
  259    HG3  GLU  38           2HG      GLU  38   3.105  17.850   4.602
  260    H    ASN  39           H        ASN  39   1.296  15.391   7.137
  261    HA   ASN  39           HA       ASN  39   1.671  17.736   8.873
  262    HB2  ASN  39           1HB      ASN  39  -0.922  16.407   8.058
  263    HB3  ASN  39           2HB      ASN  39  -0.751  17.914   8.953
  264   HD21  ASN  39          1HD2      ASN  39  -2.264  18.030   6.800
  265   HD22  ASN  39          2HD2      ASN  39  -1.464  18.830   5.495
  266    HA   PRO  40           HA       PRO  40   1.833  14.132  11.757
  267    HB2  PRO  40           1HB      PRO  40   3.733  15.224  13.360
  268    HB3  PRO  40           2HB      PRO  40   4.120  14.307  11.899
  269    HG2  PRO  40           1HG      PRO  40   3.999  17.272  12.298
  270    HG3  PRO  40           2HG      PRO  40   5.201  16.309  11.419
  271    HD2  PRO  40           1HD      PRO  40   3.210  17.650  10.167
  272    HD3  PRO  40           2HD      PRO  40   3.868  16.121   9.549
  273    H    SER  41           H        SER  41  -0.330  14.840  12.352
  274    HA   SER  41           HA       SER  41  -0.790  17.052  14.059
  275    HB2  SER  41           1HB      SER  41  -2.464  14.551  13.715
  276    HB3  SER  41           2HB      SER  41  -3.007  16.077  14.412
  277    HG   SER  41           HG       SER  41  -1.947  16.600  12.040
  278    H    GLY  42           H        GLY  42  -0.414  17.291  16.161
  279    HA2  GLY  42           1HA      GLY  42  -0.896  15.986  18.343
  280    HA3  GLY  42           2HA      GLY  42   0.340  14.908  17.712
  281    HA   PRO  43           HA       PRO  43   2.052  18.816  19.962
  282    HB2  PRO  43           1HB      PRO  43   2.069  17.993  22.549
  283    HB3  PRO  43           2HB      PRO  43   0.726  18.895  21.837
  284    HG2  PRO  43           1HG      PRO  43   0.992  15.951  22.308
  285    HG3  PRO  43           2HG      PRO  43  -0.406  17.007  22.586
  286    HD2  PRO  43           1HD      PRO  43  -0.192  15.415  20.405
  287    HD3  PRO  43           2HD      PRO  43  -1.023  16.984  20.365
  288    H    SER  44           H        SER  44   2.599  15.519  19.640
  289    HA   SER  44           HA       SER  44   4.795  14.859  21.102
  290    HB2  SER  44           1HB      SER  44   3.563  13.544  19.222
  291    HB3  SER  44           2HB      SER  44   4.780  14.250  18.158
  292    HG   SER  44           HG       SER  44   6.286  13.041  19.052
  293    H    SER  45           H        SER  45   6.624  15.897  21.490
  294    HA   SER  45           HA       SER  45   7.611  17.911  19.664
  295    HB2  SER  45           1HB      SER  45   9.362  18.249  21.431
  296    HB3  SER  45           2HB      SER  45   7.708  18.423  22.019
  297    HG   SER  45           HG       SER  45   9.558  16.362  22.477
  298    H    GLY  46           H        GLY  46   7.679  15.491  18.398
  299    HA2  GLY  46           1HA      GLY  46  10.548  15.180  17.969
  300    HA3  GLY  46           2HA      GLY  46   9.667  13.737  18.449
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1  20.001 -10.243  -7.835
    2    HA2  GLY   1           1HA      GLY   1  17.959 -10.557  -9.888
    3    HA3  GLY   1           2HA      GLY   1  18.508 -12.038  -9.118
    4    H    SER   2           H        SER   2  16.199  -9.691  -9.031
    5    HA   SER   2           HA       SER   2  15.624 -10.223  -6.190
    6    HB2  SER   2           1HB      SER   2  14.439  -7.996  -6.193
    7    HB3  SER   2           2HB      SER   2  16.191  -7.898  -6.372
    8    HG   SER   2           HG       SER   2  15.968  -7.324  -8.443
    9    H    SER   3           H        SER   3  13.565 -10.807  -5.647
   10    HA   SER   3           HA       SER   3  11.427 -10.680  -7.596
   11    HB2  SER   3           1HB      SER   3  12.431 -12.742  -8.311
   12    HB3  SER   3           2HB      SER   3  12.567 -13.316  -6.649
   13    HG   SER   3           HG       SER   3  10.532 -13.610  -8.337
   14    H    GLY   4           H        GLY   4   9.628 -10.156  -6.549
   15    HA2  GLY   4           1HA      GLY   4   9.037 -11.343  -3.957
   16    HA3  GLY   4           2HA      GLY   4   9.246  -9.598  -3.972
   17    H    SER   5           H        SER   5   7.678 -11.806  -6.279
   18    HA   SER   5           HA       SER   5   5.250 -10.158  -6.039
   19    HB2  SER   5           1HB      SER   5   6.425 -11.710  -8.334
   20    HB3  SER   5           2HB      SER   5   4.715 -11.279  -8.315
   21    HG   SER   5           HG       SER   5   6.911  -9.713  -8.775
   22    H    SER   6           H        SER   6   3.417 -11.051  -5.329
   23    HA   SER   6           HA       SER   6   2.845 -13.848  -5.605
   24    HB2  SER   6           1HB      SER   6   4.244 -14.136  -3.704
   25    HB3  SER   6           2HB      SER   6   3.573 -12.716  -2.903
   26    HG   SER   6           HG       SER   6   2.675 -14.583  -2.020
   27    H    GLY   7           H        GLY   7   0.682 -14.318  -5.289
   28    HA2  GLY   7           1HA      GLY   7  -1.024 -11.960  -4.818
   29    HA3  GLY   7           2HA      GLY   7  -1.473 -13.349  -5.797
   30    H    THR   8           H        THR   8  -1.837 -11.875  -2.832
   31    HA   THR   8           HA       THR   8  -2.492 -14.382  -1.452
   32    HB   THR   8           HB       THR   8  -2.655 -12.980   0.595
   33    HG1  THR   8           HG1      THR   8  -2.966 -10.924   0.119
   34   HG21  THR   8          3HG2      THR   8  -0.253 -13.492  -0.966
   35   HG22  THR   8          1HG2      THR   8  -0.554 -13.738   0.753
   36   HG23  THR   8          2HG2      THR   8  -0.051 -12.154   0.164
   37    H    LYS   9           H        LYS   9  -3.858 -11.161  -2.106
   38    HA   LYS   9           HA       LYS   9  -6.008 -10.488  -2.463
   39    HB2  LYS   9           1HB      LYS   9  -6.034 -12.882  -3.599
   40    HB3  LYS   9           2HB      LYS   9  -7.077 -13.266  -2.236
   41    HG2  LYS   9           1HG      LYS   9  -7.669 -10.839  -3.853
   42    HG3  LYS   9           2HG      LYS   9  -8.070 -12.427  -4.510
   43    HD2  LYS   9           1HD      LYS   9  -9.308 -12.901  -2.389
   44    HD3  LYS   9           2HD      LYS   9  -9.033 -11.222  -1.918
   45    HE2  LYS   9           1HE      LYS   9 -10.325 -11.925  -4.533
   46    HE3  LYS   9           2HE      LYS   9 -11.264 -11.823  -3.045
   47    HZ1  LYS   9           3HZ      LYS   9 -10.326  -9.730  -4.703
   48    HZ2  LYS   9           1HZ      LYS   9  -9.718  -9.537  -3.136
   49    HZ3  LYS   9           2HZ      LYS   9 -11.387  -9.652  -3.387
   50    H    GLU  10           H        GLU  10  -5.080 -10.246   0.044
   51    HA   GLU  10           HA       GLU  10  -6.867 -11.468   1.950
   52    HB2  GLU  10           1HB      GLU  10  -4.566  -9.565   2.102
   53    HB3  GLU  10           2HB      GLU  10  -5.669  -9.677   3.466
   54    HG2  GLU  10           1HG      GLU  10  -5.236 -12.093   3.593
   55    HG3  GLU  10           2HG      GLU  10  -4.085 -11.937   2.267
   56    H    HIS  11           H        HIS  11  -6.575  -8.415   0.272
   57    HA   HIS  11           HA       HIS  11  -9.279  -7.724   0.818
   58    HB2  HIS  11           1HB      HIS  11  -7.113  -6.456   2.433
   59    HB3  HIS  11           2HB      HIS  11  -8.456  -5.448   1.901
   60    HD1  HIS  11           HD1      HIS  11 -10.895  -6.952   2.406
   61    HD2  HIS  11           HD2      HIS  11  -7.617  -7.307   4.935
   62    HE1  HIS  11           HE1      HIS  11 -11.817  -7.801   4.587
   63    HA   PRO  12           HA       PRO  12  -8.744  -5.314  -2.807
   64    HB2  PRO  12           1HB      PRO  12 -10.488  -3.272  -2.410
   65    HB3  PRO  12           2HB      PRO  12 -11.007  -4.923  -2.765
   66    HG2  PRO  12           1HG      PRO  12 -10.848  -3.513  -0.130
   67    HG3  PRO  12           2HG      PRO  12 -12.127  -4.569  -0.758
   68    HD2  PRO  12           1HD      PRO  12 -10.257  -5.433   1.000
   69    HD3  PRO  12           2HD      PRO  12 -10.970  -6.493  -0.233
   70    H    PHE  13           H        PHE  13  -7.944  -4.037   0.245
   71    HA   PHE  13           HA       PHE  13  -6.497  -1.813  -1.035
   72    HB2  PHE  13           1HB      PHE  13  -7.637  -1.835   1.767
   73    HB3  PHE  13           2HB      PHE  13  -6.789  -0.499   0.996
   74    HD1  PHE  13           HD2      PHE  13  -7.844   0.594  -1.018
   75    HD2  PHE  13           HD1      PHE  13  -9.942  -2.117   1.505
   76    HE1  PHE  13           HE2      PHE  13  -9.982   1.453  -1.879
   77    HE2  PHE  13           HE1      PHE  13 -12.084  -1.264   0.647
   78    HZ   PHE  13           HZ       PHE  13 -12.106   0.524  -1.046
   79    H    LYS  14           H        LYS  14  -4.479  -2.611  -1.196
   80    HA   LYS  14           HA       LYS  14  -3.235  -3.652   1.265
   81    HB2  LYS  14           1HB      LYS  14  -3.298  -5.475  -0.234
   82    HB3  LYS  14           2HB      LYS  14  -2.859  -4.468  -1.607
   83    HG2  LYS  14           1HG      LYS  14  -0.893  -5.573  -1.215
   84    HG3  LYS  14           2HG      LYS  14  -0.649  -4.103  -0.268
   85    HD2  LYS  14           1HD      LYS  14  -0.826  -5.197   1.726
   86    HD3  LYS  14           2HD      LYS  14  -1.935  -6.412   1.086
   87    HE2  LYS  14           1HE      LYS  14   0.912  -6.335   0.171
   88    HE3  LYS  14           2HE      LYS  14   0.497  -7.086   1.711
   89    HZ1  LYS  14           3HZ      LYS  14  -0.295  -8.866   0.674
   90    HZ2  LYS  14           1HZ      LYS  14   0.388  -8.267  -0.754
   91    HZ3  LYS  14           2HZ      LYS  14  -1.232  -7.943  -0.390
   92    H    CYS  15           H        CYS  15  -1.945  -2.148   2.093
   93    HA   CYS  15           HA       CYS  15  -0.924   0.062   0.692
   94    HB2  CYS  15           1HB      CYS  15  -1.242  -0.137   3.192
   95    HB3  CYS  15           2HB      CYS  15   0.229  -1.104   3.229
   96    H    ASN  16           H        ASN  16   0.488  -0.051  -0.923
   97    HA   ASN  16           HA       ASN  16   2.324  -2.206  -1.251
   98    HB2  ASN  16           1HB      ASN  16   2.460   0.447  -2.680
   99    HB3  ASN  16           2HB      ASN  16   3.000  -1.128  -3.256
  100   HD21  ASN  16          1HD2      ASN  16   0.311   0.988  -2.793
  101   HD22  ASN  16          2HD2      ASN  16  -0.844   0.058  -3.680
  102    H    GLU  17           H        GLU  17   2.433   0.802   0.398
  103    HA   GLU  17           HA       GLU  17   5.188   1.344   0.316
  104    HB2  GLU  17           1HB      GLU  17   3.332   1.934   2.623
  105    HB3  GLU  17           2HB      GLU  17   4.816   2.780   2.207
  106    HG2  GLU  17           1HG      GLU  17   3.600   3.287  -0.026
  107    HG3  GLU  17           2HG      GLU  17   2.144   2.890   0.883
  108    H    CYS  18           H        CYS  18   3.260  -0.440   2.717
  109    HA   CYS  18           HA       CYS  18   5.765  -1.645   3.697
  110    HB2  CYS  18           1HB      CYS  18   4.644  -1.951   5.860
  111    HB3  CYS  18           2HB      CYS  18   4.678  -0.253   5.396
  112    H    GLY  19           H        GLY  19   2.381  -2.217   2.875
  113    HA2  GLY  19           1HA      GLY  19   1.994  -4.291   1.572
  114    HA3  GLY  19           2HA      GLY  19   2.995  -5.107   2.764
  115    H    LYS  20           H        LYS  20   1.020  -2.737   4.142
  116    HA   LYS  20           HA       LYS  20  -0.460  -4.633   5.641
  117    HB2  LYS  20           1HB      LYS  20  -0.398  -1.670   5.401
  118    HB3  LYS  20           2HB      LYS  20  -1.843  -2.388   6.099
  119    HG2  LYS  20           1HG      LYS  20  -0.044  -3.693   7.542
  120    HG3  LYS  20           2HG      LYS  20   0.921  -2.266   7.158
  121    HD2  LYS  20           1HD      LYS  20  -0.718  -0.816   8.132
  122    HD3  LYS  20           2HD      LYS  20  -1.854  -2.152   8.332
  123    HE2  LYS  20           1HE      LYS  20  -0.699  -3.042  10.113
  124    HE3  LYS  20           2HE      LYS  20   0.833  -2.326   9.615
  125    HZ1  LYS  20           3HZ      LYS  20   0.456  -0.688  11.033
  126    HZ2  LYS  20           1HZ      LYS  20  -1.053  -1.331  11.447
  127    HZ3  LYS  20           2HZ      LYS  20  -0.923  -0.238  10.163
  128    H    THR  21           H        THR  21  -2.865  -4.642   5.768
  129    HA   THR  21           HA       THR  21  -4.142  -4.195   3.159
  130    HB   THR  21           HB       THR  21  -5.321  -6.327   3.307
  131    HG1  THR  21           HG1      THR  21  -5.384  -7.295   5.179
  132   HG21  THR  21          3HG2      THR  21  -3.594  -6.979   2.044
  133   HG22  THR  21          1HG2      THR  21  -2.929  -7.708   3.505
  134   HG23  THR  21          2HG2      THR  21  -2.438  -6.082   3.028
  135    H    PHE  22           H        PHE  22  -6.310  -3.651   3.217
  136    HA   PHE  22           HA       PHE  22  -7.638  -3.526   5.818
  137    HB2  PHE  22           1HB      PHE  22  -7.670  -1.116   4.017
  138    HB3  PHE  22           2HB      PHE  22  -8.124  -1.225   5.715
  139    HD1  PHE  22           HD2      PHE  22  -5.220  -1.405   3.416
  140    HD2  PHE  22           HD1      PHE  22  -6.584  -0.736   7.392
  141    HE1  PHE  22           HE2      PHE  22  -2.965  -0.664   4.061
  142    HE2  PHE  22           HE1      PHE  22  -4.331   0.008   8.044
  143    HZ   PHE  22           HZ       PHE  22  -2.517   0.043   6.378
  144    H    SER  23           H        SER  23  -9.856  -3.665   5.732
  145    HA   SER  23           HA       SER  23 -10.956  -4.748   3.317
  146    HB2  SER  23           1HB      SER  23 -13.025  -4.998   4.636
  147    HB3  SER  23           2HB      SER  23 -11.626  -5.625   5.507
  148    HG   SER  23           HG       SER  23 -11.660  -3.259   6.340
  149    H    HIS  24           H        HIS  24 -10.525  -1.630   4.451
  150    HA   HIS  24           HA       HIS  24 -12.463  -0.609   2.505
  151    HB2  HIS  24           1HB      HIS  24 -12.367  -0.013   5.418
  152    HB3  HIS  24           2HB      HIS  24 -12.698   1.332   4.330
  153    HD1  HIS  24           HD1      HIS  24 -14.332  -1.366   6.085
  154    HD2  HIS  24           HD2      HIS  24 -15.026   0.767   2.588
  155    HE1  HIS  24           HE1      HIS  24 -16.749  -1.768   5.520
  156    H    SER  25           H        SER  25 -11.981   1.527   1.721
  157    HA   SER  25           HA       SER  25  -9.207   1.932   1.287
  158    HB2  SER  25           1HB      SER  25  -9.842   3.751  -0.108
  159    HB3  SER  25           2HB      SER  25 -11.114   2.543  -0.289
  160    HG   SER  25           HG       SER  25 -11.223   5.071   0.782
  161    H    ALA  26           H        ALA  26 -11.631   3.930   2.976
  162    HA   ALA  26           HA       ALA  26 -10.244   6.010   3.906
  163    HB1  ALA  26           3HB      ALA  26 -12.546   5.608   4.549
  164    HB2  ALA  26           1HB      ALA  26 -12.045   4.281   5.598
  165    HB3  ALA  26           2HB      ALA  26 -11.567   5.936   5.979
  166    H    HIS  27           H        HIS  27  -9.925   2.715   5.136
  167    HA   HIS  27           HA       HIS  27  -8.177   3.335   7.273
  168    HB2  HIS  27           1HB      HIS  27  -8.475   0.739   5.748
  169    HB3  HIS  27           2HB      HIS  27  -7.688   0.927   7.312
  170    HD1  HIS  27           HD1      HIS  27 -10.544  -0.536   6.232
  171    HD2  HIS  27           HD2      HIS  27  -9.934   2.537   8.961
  172    HE1  HIS  27           HE1      HIS  27 -12.593  -0.515   7.691
  173    H    LEU  28           H        LEU  28  -7.558   2.096   3.994
  174    HA   LEU  28           HA       LEU  28  -4.764   2.002   4.195
  175    HB2  LEU  28           1HB      LEU  28  -5.864   0.855   2.418
  176    HB3  LEU  28           2HB      LEU  28  -6.589   2.349   1.827
  177    HG   LEU  28           HG       LEU  28  -4.374   3.141   1.132
  178   HD11  LEU  28          1HD1      LEU  28  -3.498   0.964   2.780
  179   HD12  LEU  28          2HD1      LEU  28  -2.558   2.268   2.056
  180   HD13  LEU  28          3HD1      LEU  28  -2.855   0.786   1.147
  181   HD21  LEU  28          3HD2      LEU  28  -4.217   1.834  -0.806
  182   HD22  LEU  28          1HD2      LEU  28  -5.906   1.698  -0.314
  183   HD23  LEU  28          2HD2      LEU  28  -4.782   0.381   0.021
  184    H    SER  29           H        SER  29  -6.707   4.439   2.453
  185    HA   SER  29           HA       SER  29  -4.762   6.253   1.860
  186    HB2  SER  29           1HB      SER  29  -7.009   6.602   1.078
  187    HB3  SER  29           2HB      SER  29  -7.613   6.775   2.726
  188    HG   SER  29           HG       SER  29  -5.588   8.509   1.925
  189    H    LYS  30           H        LYS  30  -6.513   5.969   4.927
  190    HA   LYS  30           HA       LYS  30  -5.267   8.194   6.170
  191    HB2  LYS  30           1HB      LYS  30  -7.432   6.960   6.838
  192    HB3  LYS  30           2HB      LYS  30  -6.370   5.822   7.655
  193    HG2  LYS  30           1HG      LYS  30  -5.459   7.650   9.006
  194    HG3  LYS  30           2HG      LYS  30  -6.549   8.779   8.197
  195    HD2  LYS  30           1HD      LYS  30  -7.735   8.296  10.112
  196    HD3  LYS  30           2HD      LYS  30  -8.396   7.106   8.988
  197    HE2  LYS  30           1HE      LYS  30  -6.022   6.393  10.650
  198    HE3  LYS  30           2HE      LYS  30  -7.622   6.398  11.391
  199    HZ1  LYS  30           3HZ      LYS  30  -7.762   4.330  10.605
  200    HZ2  LYS  30           1HZ      LYS  30  -6.469   4.532   9.532
  201    HZ3  LYS  30           2HZ      LYS  30  -8.022   5.036   9.090
  202    H    HIS  31           H        HIS  31  -4.591   4.719   6.175
  203    HA   HIS  31           HA       HIS  31  -2.424   4.887   8.016
  204    HB2  HIS  31           1HB      HIS  31  -3.318   2.751   7.924
  205    HB3  HIS  31           2HB      HIS  31  -3.490   2.786   6.172
  206    HD1  HIS  31           HD1      HIS  31  -1.016   2.066   8.881
  207    HD2  HIS  31           HD2      HIS  31  -1.237   1.963   4.734
  208    HE1  HIS  31           HE1      HIS  31   1.027   0.805   8.130
  209    H    GLN  32           H        GLN  32  -2.747   5.722   4.756
  210    HA   GLN  32           HA       GLN  32  -0.044   5.179   3.950
  211    HB2  GLN  32           1HB      GLN  32  -2.312   6.730   2.720
  212    HB3  GLN  32           2HB      GLN  32  -0.708   6.708   2.000
  213    HG2  GLN  32           1HG      GLN  32  -1.044   4.092   2.243
  214    HG3  GLN  32           2HG      GLN  32  -2.742   4.563   2.176
  215   HE21  GLN  32          1HE2      GLN  32  -0.068   3.753   0.383
  216   HE22  GLN  32          2HE2      GLN  32  -0.584   4.339  -1.158
  217    H    LEU  33           H        LEU  33  -1.811   7.909   5.258
  218    HA   LEU  33           HA       LEU  33   0.032   9.944   4.734
  219    HB2  LEU  33           1HB      LEU  33  -1.820   9.627   7.091
  220    HB3  LEU  33           2HB      LEU  33  -1.004  11.120   6.632
  221    HG   LEU  33           HG       LEU  33  -2.895   9.738   4.754
  222   HD11  LEU  33          1HD1      LEU  33  -4.157  10.048   6.782
  223   HD12  LEU  33          2HD1      LEU  33  -4.654  11.254   5.595
  224   HD13  LEU  33          3HD1      LEU  33  -3.589  11.712   6.924
  225   HD21  LEU  33          3HD2      LEU  33  -1.400  12.248   4.853
  226   HD22  LEU  33          1HD2      LEU  33  -3.102  12.445   4.434
  227   HD23  LEU  33          2HD2      LEU  33  -2.074  11.380   3.473
  228    H    ILE  34           H        ILE  34   0.182   7.304   6.918
  229    HA   ILE  34           HA       ILE  34   2.004   8.440   8.794
  230    HB   ILE  34           HB       ILE  34   2.110   6.362   9.802
  231   HG12  ILE  34          1HG1      ILE  34   1.718   5.242   7.036
  232   HG13  ILE  34          2HG1      ILE  34   3.068   4.996   8.138
  233   HG21  ILE  34          1HG2      ILE  34  -0.459   5.987   8.296
  234   HG22  ILE  34          2HG2      ILE  34  -0.094   5.587   9.974
  235   HG23  ILE  34          3HG2      ILE  34  -0.253   7.274   9.484
  236   HD11  ILE  34          3HD1      ILE  34   1.609   3.676   9.600
  237   HD12  ILE  34          1HD1      ILE  34   0.288   3.891   8.452
  238   HD13  ILE  34          2HD1      ILE  34   1.731   2.995   7.978
  239    H    HIS  35           H        HIS  35   2.324   6.838   5.717
  240    HA   HIS  35           HA       HIS  35   5.133   6.306   5.973
  241    HB2  HIS  35           1HB      HIS  35   3.179   6.198   3.688
  242    HB3  HIS  35           2HB      HIS  35   4.905   5.976   3.422
  243    HD1  HIS  35           HD1      HIS  35   5.909   4.033   5.238
  244    HD2  HIS  35           HD2      HIS  35   1.939   3.834   4.030
  245    HE1  HIS  35           HE1      HIS  35   5.191   1.663   5.675
  246    H    ALA  36           H        ALA  36   3.154   8.899   4.704
  247    HA   ALA  36           HA       ALA  36   5.381  10.252   3.457
  248    HB1  ALA  36           3HB      ALA  36   2.544  10.422   3.332
  249    HB2  ALA  36           1HB      ALA  36   3.185  12.010   3.754
  250    HB3  ALA  36           2HB      ALA  36   3.744  11.192   2.295
  251    H    GLY  37           H        GLY  37   5.237  12.827   4.038
  252    HA2  GLY  37           1HA      GLY  37   5.779  14.451   5.572
  253    HA3  GLY  37           2HA      GLY  37   4.939  13.487   6.778
  254    H    GLU  38           H        GLU  38   7.774  12.623   4.835
  255    HA   GLU  38           HA       GLU  38   9.551  12.923   7.093
  256    HB2  GLU  38           1HB      GLU  38  10.254  10.550   7.093
  257    HB3  GLU  38           2HB      GLU  38   8.591  10.765   7.620
  258    HG2  GLU  38           1HG      GLU  38   7.816  10.115   5.382
  259    HG3  GLU  38           2HG      GLU  38   9.490   9.849   4.898
  260    H    ASN  39           H        ASN  39  11.490  13.518   6.378
  261    HA   ASN  39           HA       ASN  39  12.571  12.460   3.910
  262    HB2  ASN  39           1HB      ASN  39  13.043  14.829   3.073
  263    HB3  ASN  39           2HB      ASN  39  11.389  14.247   2.911
  264   HD21  ASN  39          1HD2      ASN  39  10.486  16.272   2.881
  265   HD22  ASN  39          2HD2      ASN  39  10.429  17.296   4.271
  266    HA   PRO  40           HA       PRO  40  16.299  12.892   6.210
  267    HB2  PRO  40           1HB      PRO  40  18.086  12.762   4.170
  268    HB3  PRO  40           2HB      PRO  40  17.196  11.353   4.758
  269    HG2  PRO  40           1HG      PRO  40  16.645  13.082   2.378
  270    HG3  PRO  40           2HG      PRO  40  16.578  11.316   2.517
  271    HD2  PRO  40           1HD      PRO  40  14.361  12.869   2.598
  272    HD3  PRO  40           2HD      PRO  40  14.495  11.347   3.502
  273    H    SER  41           H        SER  41  15.182  15.198   3.994
  274    HA   SER  41           HA       SER  41  17.317  17.075   4.775
  275    HB2  SER  41           1HB      SER  41  17.411  16.768   2.398
  276    HB3  SER  41           2HB      SER  41  15.664  16.959   2.246
  277    HG   SER  41           HG       SER  41  15.955  19.028   2.139
  278    H    GLY  42           H        GLY  42  16.725  19.207   5.320
  279    HA2  GLY  42           1HA      GLY  42  14.352  19.439   6.827
  280    HA3  GLY  42           2HA      GLY  42  15.431  20.761   6.407
  281    HA   PRO  43           HA       PRO  43  11.349  21.430   4.289
  282    HB2  PRO  43           1HB      PRO  43  11.097  24.020   5.062
  283    HB3  PRO  43           2HB      PRO  43  10.534  22.665   6.048
  284    HG2  PRO  43           1HG      PRO  43  13.063  24.251   6.276
  285    HG3  PRO  43           2HG      PRO  43  11.972  23.694   7.558
  286    HD2  PRO  43           1HD      PRO  43  14.290  22.426   6.965
  287    HD3  PRO  43           2HD      PRO  43  12.855  21.565   7.558
  288    H    SER  44           H        SER  44  12.632  21.225   2.346
  289    HA   SER  44           HA       SER  44  14.176  23.478   1.428
  290    HB2  SER  44           1HB      SER  44  14.910  21.280   0.762
  291    HB3  SER  44           2HB      SER  44  13.330  20.909   0.072
  292    HG   SER  44           HG       SER  44  15.323  22.655  -0.884
  293    H    SER  45           H        SER  45  13.592  25.031   0.001
  294    HA   SER  45           HA       SER  45  10.970  25.841  -0.250
  295    HB2  SER  45           1HB      SER  45  13.399  26.417  -1.940
  296    HB3  SER  45           2HB      SER  45  11.837  27.162  -2.280
  297    HG   SER  45           HG       SER  45  12.821  27.269   0.335
  298    H    GLY  46           H        GLY  46   9.864  26.191  -2.477
  299    HA2  GLY  46           1HA      GLY  46   8.634  25.203  -4.145
  300    HA3  GLY  46           2HA      GLY  46  10.151  24.447  -4.611
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1   8.691 -26.680  -9.669
    2    HA2  GLY   1           1HA      GLY   1  10.594 -25.013 -10.502
    3    HA3  GLY   1           2HA      GLY   1   9.603 -25.114 -11.949
    4    H    SER   2           H        SER   2  10.189 -22.842 -10.142
    5    HA   SER   2           HA       SER   2   7.756 -22.278  -8.726
    6    HB2  SER   2           1HB      SER   2   8.758 -20.101  -8.270
    7    HB3  SER   2           2HB      SER   2   9.948 -21.373  -8.002
    8    HG   SER   2           HG       SER   2  10.668 -19.491  -9.248
    9    H    SER   3           H        SER   3   6.110 -20.895  -9.291
   10    HA   SER   3           HA       SER   3   5.928 -20.279 -12.151
   11    HB2  SER   3           1HB      SER   3   3.510 -20.094 -11.774
   12    HB3  SER   3           2HB      SER   3   4.115 -21.643 -11.187
   13    HG   SER   3           HG       SER   3   3.047 -21.025  -9.461
   14    H    GLY   4           H        GLY   4   5.375 -18.798  -8.968
   15    HA2  GLY   4           1HA      GLY   4   6.336 -16.262  -9.865
   16    HA3  GLY   4           2HA      GLY   4   4.584 -16.270  -9.726
   17    H    SER   5           H        SER   5   5.744 -14.495  -8.189
   18    HA   SER   5           HA       SER   5   6.090 -15.711  -5.537
   19    HB2  SER   5           1HB      SER   5   6.991 -13.444  -4.904
   20    HB3  SER   5           2HB      SER   5   7.939 -14.292  -6.125
   21    HG   SER   5           HG       SER   5   6.131 -12.145  -6.488
   22    H    SER   6           H        SER   6   3.915 -16.049  -5.045
   23    HA   SER   6           HA       SER   6   2.096 -13.778  -5.073
   24    HB2  SER   6           1HB      SER   6   1.274 -15.988  -5.794
   25    HB3  SER   6           2HB      SER   6   1.633 -16.640  -4.196
   26    HG   SER   6           HG       SER   6   0.165 -14.903  -3.430
   27    H    GLY   7           H        GLY   7   1.225 -12.802  -3.273
   28    HA2  GLY   7           1HA      GLY   7   2.655 -13.350  -0.755
   29    HA3  GLY   7           2HA      GLY   7   1.936 -11.808  -1.196
   30    H    THR   8           H        THR   8   1.207 -12.355   1.159
   31    HA   THR   8           HA       THR   8  -1.271 -13.933   1.091
   32    HB   THR   8           HB       THR   8  -1.184 -13.896   3.548
   33    HG1  THR   8           HG1      THR   8   0.926 -12.138   3.027
   34   HG21  THR   8          3HG2      THR   8   0.307 -15.613   3.698
   35   HG22  THR   8          1HG2      THR   8   1.568 -14.741   2.828
   36   HG23  THR   8          2HG2      THR   8   0.237 -15.485   1.941
   37    H    LYS   9           H        LYS   9  -3.040 -12.784   0.697
   38    HA   LYS   9           HA       LYS   9  -3.845 -10.630   2.337
   39    HB2  LYS   9           1HB      LYS   9  -3.761  -8.782   0.833
   40    HB3  LYS   9           2HB      LYS   9  -2.149  -9.482   0.874
   41    HG2  LYS   9           1HG      LYS   9  -4.184 -10.059  -1.266
   42    HG3  LYS   9           2HG      LYS   9  -2.927  -8.826  -1.392
   43    HD2  LYS   9           1HD      LYS   9  -1.319 -10.789  -0.819
   44    HD3  LYS   9           2HD      LYS   9  -2.664 -11.808  -1.337
   45    HE2  LYS   9           1HE      LYS   9  -2.605 -10.976  -3.518
   46    HE3  LYS   9           2HE      LYS   9  -1.683  -9.549  -3.048
   47    HZ1  LYS   9           3HZ      LYS   9  -0.753 -12.283  -3.544
   48    HZ2  LYS   9           1HZ      LYS   9   0.077 -11.354  -2.400
   49    HZ3  LYS   9           2HZ      LYS   9  -0.057 -10.809  -3.995
   50    H    GLU  10           H        GLU  10  -6.019 -10.319   2.208
   51    HA   GLU  10           HA       GLU  10  -7.439 -11.490  -0.083
   52    HB2  GLU  10           1HB      GLU  10  -9.086 -12.495   1.403
   53    HB3  GLU  10           2HB      GLU  10  -7.480 -13.111   1.765
   54    HG2  GLU  10           1HG      GLU  10  -8.453 -10.774   3.310
   55    HG3  GLU  10           2HG      GLU  10  -9.154 -12.353   3.659
   56    H    HIS  11           H        HIS  11  -6.759  -8.725   1.121
   57    HA   HIS  11           HA       HIS  11  -9.505  -7.683   1.280
   58    HB2  HIS  11           1HB      HIS  11  -6.922  -6.347   2.115
   59    HB3  HIS  11           2HB      HIS  11  -8.546  -5.708   2.350
   60    HD1  HIS  11           HD1      HIS  11  -6.753  -6.089   4.773
   61    HD2  HIS  11           HD2      HIS  11  -9.373  -8.999   3.386
   62    HE1  HIS  11           HE1      HIS  11  -7.212  -7.577   6.748
   63    HA   PRO  12           HA       PRO  12  -9.118  -5.741  -2.643
   64    HB2  PRO  12           1HB      PRO  12 -10.790  -3.631  -2.295
   65    HB3  PRO  12           2HB      PRO  12 -11.366  -5.291  -2.487
   66    HG2  PRO  12           1HG      PRO  12 -11.004  -3.689   0.016
   67    HG3  PRO  12           2HG      PRO  12 -12.343  -4.756  -0.446
   68    HD2  PRO  12           1HD      PRO  12 -10.380  -5.531   1.251
   69    HD3  PRO  12           2HD      PRO  12 -11.194  -6.663   0.152
   70    H    PHE  13           H        PHE  13  -8.101  -4.251   0.245
   71    HA   PHE  13           HA       PHE  13  -6.627  -2.226  -1.301
   72    HB2  PHE  13           1HB      PHE  13  -7.708  -1.823   1.493
   73    HB3  PHE  13           2HB      PHE  13  -6.882  -0.629   0.497
   74    HD1  PHE  13           HD2      PHE  13  -8.004   0.185  -1.598
   75    HD2  PHE  13           HD1      PHE  13 -10.024  -2.144   1.337
   76    HE1  PHE  13           HE2      PHE  13 -10.169   0.927  -2.503
   77    HE2  PHE  13           HE1      PHE  13 -12.191  -1.407   0.436
   78    HZ   PHE  13           HZ       PHE  13 -12.266   0.132  -1.485
   79    H    LYS  14           H        LYS  14  -4.497  -2.375  -1.098
   80    HA   LYS  14           HA       LYS  14  -3.365  -3.475   1.375
   81    HB2  LYS  14           1HB      LYS  14  -3.439  -5.312  -0.239
   82    HB3  LYS  14           2HB      LYS  14  -2.592  -4.325  -1.423
   83    HG2  LYS  14           1HG      LYS  14  -0.802  -4.187   0.526
   84    HG3  LYS  14           2HG      LYS  14  -1.560  -5.715   0.982
   85    HD2  LYS  14           1HD      LYS  14  -1.242  -6.365  -1.489
   86    HD3  LYS  14           2HD      LYS  14  -0.114  -5.009  -1.551
   87    HE2  LYS  14           1HE      LYS  14   1.353  -6.004  -0.044
   88    HE3  LYS  14           2HE      LYS  14   0.119  -7.093   0.587
   89    HZ1  LYS  14           3HZ      LYS  14   1.909  -7.459  -1.611
   90    HZ2  LYS  14           1HZ      LYS  14   0.301  -7.743  -2.056
   91    HZ3  LYS  14           2HZ      LYS  14   0.988  -8.603  -0.771
   92    H    CYS  15           H        CYS  15  -1.791  -2.240   2.162
   93    HA   CYS  15           HA       CYS  15  -0.957   0.125   0.845
   94    HB2  CYS  15           1HB      CYS  15  -1.082  -0.133   3.316
   95    HB3  CYS  15           2HB      CYS  15   0.298  -1.224   3.245
   96    H    ASN  16           H        ASN  16   0.492   0.322  -0.717
   97    HA   ASN  16           HA       ASN  16   2.284  -1.842  -1.363
   98    HB2  ASN  16           1HB      ASN  16   1.042  -0.257  -3.001
   99    HB3  ASN  16           2HB      ASN  16   2.350   0.871  -2.658
  100   HD21  ASN  16          1HD2      ASN  16   3.744   0.859  -4.256
  101   HD22  ASN  16          2HD2      ASN  16   4.329  -0.536  -5.091
  102    H    GLU  17           H        GLU  17   2.411   0.899   0.615
  103    HA   GLU  17           HA       GLU  17   5.188   1.510   0.337
  104    HB2  GLU  17           1HB      GLU  17   3.486   2.120   2.748
  105    HB3  GLU  17           2HB      GLU  17   4.894   2.996   2.164
  106    HG2  GLU  17           1HG      GLU  17   3.547   3.556   0.110
  107    HG3  GLU  17           2HG      GLU  17   2.145   2.908   0.960
  108    H    CYS  18           H        CYS  18   3.279  -0.488   2.535
  109    HA   CYS  18           HA       CYS  18   5.795  -1.629   3.559
  110    HB2  CYS  18           1HB      CYS  18   4.650  -2.037   5.701
  111    HB3  CYS  18           2HB      CYS  18   4.703  -0.322   5.309
  112    H    GLY  19           H        GLY  19   2.382  -2.230   2.826
  113    HA2  GLY  19           1HA      GLY  19   1.996  -4.242   1.416
  114    HA3  GLY  19           2HA      GLY  19   3.056  -5.093   2.530
  115    H    LYS  20           H        LYS  20   1.037  -2.817   4.037
  116    HA   LYS  20           HA       LYS  20  -0.331  -4.819   5.517
  117    HB2  LYS  20           1HB      LYS  20  -0.358  -1.847   5.397
  118    HB3  LYS  20           2HB      LYS  20  -1.756  -2.637   6.115
  119    HG2  LYS  20           1HG      LYS  20   0.013  -3.928   7.508
  120    HG3  LYS  20           2HG      LYS  20   1.080  -2.600   7.044
  121    HD2  LYS  20           1HD      LYS  20  -0.400  -0.990   8.043
  122    HD3  LYS  20           2HD      LYS  20  -1.611  -2.234   8.358
  123    HE2  LYS  20           1HE      LYS  20   0.338  -3.359   9.697
  124    HE3  LYS  20           2HE      LYS  20   0.993  -1.723   9.725
  125    HZ1  LYS  20           3HZ      LYS  20  -1.065  -2.824  11.305
  126    HZ2  LYS  20           1HZ      LYS  20  -1.691  -1.534  10.407
  127    HZ3  LYS  20           2HZ      LYS  20  -0.352  -1.294  11.412
  128    H    THR  21           H        THR  21  -2.854  -4.432   5.791
  129    HA   THR  21           HA       THR  21  -4.162  -4.092   3.205
  130    HB   THR  21           HB       THR  21  -5.385  -6.217   3.393
  131    HG1  THR  21           HG1      THR  21  -3.560  -7.152   5.311
  132   HG21  THR  21          3HG2      THR  21  -3.526  -7.727   2.815
  133   HG22  THR  21          1HG2      THR  21  -2.381  -6.534   3.426
  134   HG23  THR  21          2HG2      THR  21  -3.376  -6.160   2.019
  135    H    PHE  22           H        PHE  22  -6.273  -3.431   3.342
  136    HA   PHE  22           HA       PHE  22  -7.540  -3.370   5.981
  137    HB2  PHE  22           1HB      PHE  22  -7.457  -0.934   4.199
  138    HB3  PHE  22           2HB      PHE  22  -8.073  -1.040   5.845
  139    HD1  PHE  22           HD2      PHE  22  -4.961  -1.342   3.842
  140    HD2  PHE  22           HD1      PHE  22  -6.694  -0.561   7.651
  141    HE1  PHE  22           HE2      PHE  22  -2.756  -0.674   4.704
  142    HE2  PHE  22           HE1      PHE  22  -4.491   0.110   8.519
  143    HZ   PHE  22           HZ       PHE  22  -2.519   0.053   7.045
  144    H    SER  23           H        SER  23  -9.736  -3.567   5.956
  145    HA   SER  23           HA       SER  23 -10.974  -4.737   3.747
  146    HB2  SER  23           1HB      SER  23 -13.038  -4.578   4.995
  147    HB3  SER  23           2HB      SER  23 -11.733  -4.941   6.126
  148    HG   SER  23           HG       SER  23 -12.115  -3.123   7.098
  149    H    HIS  24           H        HIS  24 -11.260  -1.419   4.996
  150    HA   HIS  24           HA       HIS  24 -12.571  -0.647   2.481
  151    HB2  HIS  24           1HB      HIS  24 -12.712   0.364   5.275
  152    HB3  HIS  24           2HB      HIS  24 -12.885   1.545   3.981
  153    HD1  HIS  24           HD1      HIS  24 -14.656  -1.216   5.699
  154    HD2  HIS  24           HD2      HIS  24 -15.199   1.199   2.362
  155    HE1  HIS  24           HE1      HIS  24 -17.060  -1.524   5.030
  156    H    SER  25           H        SER  25 -11.976   1.453   1.554
  157    HA   SER  25           HA       SER  25  -9.160   1.665   1.237
  158    HB2  SER  25           1HB      SER  25 -10.913   2.208  -0.512
  159    HB3  SER  25           2HB      SER  25 -11.214   3.706   0.369
  160    HG   SER  25           HG       SER  25  -8.563   3.177  -0.202
  161    H    ALA  26           H        ALA  26 -11.573   3.866   2.661
  162    HA   ALA  26           HA       ALA  26 -10.165   5.994   3.446
  163    HB1  ALA  26           3HB      ALA  26 -12.493   5.680   4.058
  164    HB2  ALA  26           1HB      ALA  26 -12.037   4.452   5.239
  165    HB3  ALA  26           2HB      ALA  26 -11.543   6.129   5.474
  166    H    HIS  27           H        HIS  27 -10.008   2.834   5.039
  167    HA   HIS  27           HA       HIS  27  -8.286   3.591   7.135
  168    HB2  HIS  27           1HB      HIS  27  -8.615   0.886   5.820
  169    HB3  HIS  27           2HB      HIS  27  -7.834   1.178   7.372
  170    HD1  HIS  27           HD1      HIS  27 -10.752  -0.244   6.332
  171    HD2  HIS  27           HD2      HIS  27 -10.014   2.917   8.924
  172    HE1  HIS  27           HE1      HIS  27 -12.801  -0.070   7.780
  173    H    LEU  28           H        LEU  28  -7.600   2.096   3.980
  174    HA   LEU  28           HA       LEU  28  -4.821   1.932   4.266
  175    HB2  LEU  28           1HB      LEU  28  -5.840   0.716   2.518
  176    HB3  LEU  28           2HB      LEU  28  -6.603   2.161   1.858
  177    HG   LEU  28           HG       LEU  28  -4.389   2.979   1.149
  178   HD11  LEU  28          1HD1      LEU  28  -2.433   1.670   1.322
  179   HD12  LEU  28          2HD1      LEU  28  -3.330   0.266   1.898
  180   HD13  LEU  28          3HD1      LEU  28  -3.153   1.684   2.932
  181   HD21  LEU  28          3HD2      LEU  28  -4.848   0.188   0.124
  182   HD22  LEU  28          1HD2      LEU  28  -4.187   1.575  -0.742
  183   HD23  LEU  28          2HD2      LEU  28  -5.892   1.548  -0.292
  184    H    SER  29           H        SER  29  -6.705   4.386   2.485
  185    HA   SER  29           HA       SER  29  -4.631   6.088   1.831
  186    HB2  SER  29           1HB      SER  29  -6.308   7.837   1.589
  187    HB3  SER  29           2HB      SER  29  -6.962   6.309   1.001
  188    HG   SER  29           HG       SER  29  -7.402   7.310   3.618
  189    H    LYS  30           H        LYS  30  -6.317   5.720   4.872
  190    HA   LYS  30           HA       LYS  30  -5.215   8.088   6.064
  191    HB2  LYS  30           1HB      LYS  30  -7.391   6.816   6.689
  192    HB3  LYS  30           2HB      LYS  30  -6.326   5.767   7.615
  193    HG2  LYS  30           1HG      LYS  30  -5.581   7.624   8.954
  194    HG3  LYS  30           2HG      LYS  30  -6.511   8.752   7.964
  195    HD2  LYS  30           1HD      LYS  30  -8.570   7.881   8.738
  196    HD3  LYS  30           2HD      LYS  30  -7.787   6.471   9.456
  197    HE2  LYS  30           1HE      LYS  30  -8.137   7.762  11.320
  198    HE3  LYS  30           2HE      LYS  30  -6.515   8.281  10.862
  199    HZ1  LYS  30           3HZ      LYS  30  -8.951   9.784  10.944
  200    HZ2  LYS  30           1HZ      LYS  30  -8.151   9.942   9.461
  201    HZ3  LYS  30           2HZ      LYS  30  -7.349  10.328  10.899
  202    H    HIS  31           H        HIS  31  -4.504   4.624   6.176
  203    HA   HIS  31           HA       HIS  31  -2.408   4.857   8.092
  204    HB2  HIS  31           1HB      HIS  31  -3.255   2.709   8.030
  205    HB3  HIS  31           2HB      HIS  31  -3.406   2.705   6.275
  206    HD1  HIS  31           HD1      HIS  31  -0.962   2.058   9.028
  207    HD2  HIS  31           HD2      HIS  31  -1.122   1.886   4.880
  208    HE1  HIS  31           HE1      HIS  31   1.103   0.806   8.326
  209    H    GLN  32           H        GLN  32  -2.623   5.613   4.803
  210    HA   GLN  32           HA       GLN  32   0.115   5.082   4.110
  211    HB2  GLN  32           1HB      GLN  32  -2.142   6.541   2.760
  212    HB3  GLN  32           2HB      GLN  32  -0.510   6.578   2.106
  213    HG2  GLN  32           1HG      GLN  32  -0.745   3.955   2.372
  214    HG3  GLN  32           2HG      GLN  32  -2.457   4.350   2.234
  215   HE21  GLN  32          1HE2      GLN  32   0.214   3.502   0.537
  216   HE22  GLN  32          2HE2      GLN  32  -0.227   4.096  -1.023
  217    H    LEU  33           H        LEU  33  -1.740   7.834   5.251
  218    HA   LEU  33           HA       LEU  33   0.093   9.876   4.749
  219    HB2  LEU  33           1HB      LEU  33  -1.850   9.576   7.033
  220    HB3  LEU  33           2HB      LEU  33  -1.016  11.070   6.610
  221    HG   LEU  33           HG       LEU  33  -2.852   9.661   4.690
  222   HD11  LEU  33          1HD1      LEU  33  -4.331  11.730   5.539
  223   HD12  LEU  33          2HD1      LEU  33  -3.500  11.323   7.040
  224   HD13  LEU  33          3HD1      LEU  33  -4.463  10.103   6.207
  225   HD21  LEU  33          3HD2      LEU  33  -2.000  12.546   4.881
  226   HD22  LEU  33          1HD2      LEU  33  -2.921  11.785   3.584
  227   HD23  LEU  33          2HD2      LEU  33  -1.231  11.347   3.839
  228    H    ILE  34           H        ILE  34   0.188   7.309   7.032
  229    HA   ILE  34           HA       ILE  34   1.938   8.516   8.927
  230    HB   ILE  34           HB       ILE  34   2.032   6.472   9.995
  231   HG12  ILE  34          1HG1      ILE  34   1.755   5.249   7.255
  232   HG13  ILE  34          2HG1      ILE  34   3.100   5.106   8.381
  233   HG21  ILE  34          1HG2      ILE  34  -0.444   5.884   8.431
  234   HG22  ILE  34          2HG2      ILE  34  -0.153   5.744  10.164
  235   HG23  ILE  34          3HG2      ILE  34  -0.354   7.335   9.430
  236   HD11  ILE  34          3HD1      ILE  34   1.927   3.041   8.356
  237   HD12  ILE  34          1HD1      ILE  34   1.594   3.829   9.897
  238   HD13  ILE  34          2HD1      ILE  34   0.382   3.849   8.616
  239    H    HIS  35           H        HIS  35   2.393   6.761   5.936
  240    HA   HIS  35           HA       HIS  35   5.196   6.312   6.292
  241    HB2  HIS  35           1HB      HIS  35   3.326   6.111   3.943
  242    HB3  HIS  35           2HB      HIS  35   5.064   5.903   3.746
  243    HD1  HIS  35           HD1      HIS  35   6.066   3.987   5.524
  244    HD2  HIS  35           HD2      HIS  35   2.060   3.782   4.441
  245    HE1  HIS  35           HE1      HIS  35   5.350   1.632   6.037
  246    H    ALA  36           H        ALA  36   3.245   8.914   5.098
  247    HA   ALA  36           HA       ALA  36   5.522  10.249   3.860
  248    HB1  ALA  36           3HB      ALA  36   4.017  11.316   2.612
  249    HB2  ALA  36           1HB      ALA  36   2.811  10.233   3.307
  250    HB3  ALA  36           2HB      ALA  36   3.091  11.819   4.026
  251    H    GLY  37           H        GLY  37   6.009   9.911   6.509
  252    HA2  GLY  37           1HA      GLY  37   5.443  12.554   7.699
  253    HA3  GLY  37           2HA      GLY  37   5.758  11.095   8.628
  254    H    GLU  38           H        GLU  38   7.445  12.614   5.882
  255    HA   GLU  38           HA       GLU  38   9.962  12.286   7.328
  256    HB2  GLU  38           1HB      GLU  38  11.016  12.854   5.160
  257    HB3  GLU  38           2HB      GLU  38   9.940  11.468   5.052
  258    HG2  GLU  38           1HG      GLU  38   8.239  12.783   4.010
  259    HG3  GLU  38           2HG      GLU  38   9.154  14.265   4.280
  260    H    ASN  39           H        ASN  39  11.597  14.160   6.710
  261    HA   ASN  39           HA       ASN  39  10.260  16.741   7.165
  262    HB2  ASN  39           1HB      ASN  39  12.679  15.643   8.607
  263    HB3  ASN  39           2HB      ASN  39  12.188  17.333   8.675
  264   HD21  ASN  39          1HD2      ASN  39  10.589  14.171   8.937
  265   HD22  ASN  39          2HD2      ASN  39   9.719  14.544  10.382
  266    HA   PRO  40           HA       PRO  40  12.713  18.016   3.717
  267    HB2  PRO  40           1HB      PRO  40  12.334  20.692   3.978
  268    HB3  PRO  40           2HB      PRO  40  11.090  19.601   3.356
  269    HG2  PRO  40           1HG      PRO  40  11.407  20.742   6.106
  270    HG3  PRO  40           2HG      PRO  40   9.936  20.563   5.132
  271    HD2  PRO  40           1HD      PRO  40  10.585  18.843   7.120
  272    HD3  PRO  40           2HD      PRO  40   9.702  18.333   5.667
  273    H    SER  41           H        SER  41  13.548  18.310   6.898
  274    HA   SER  41           HA       SER  41  15.710  20.191   6.649
  275    HB2  SER  41           1HB      SER  41  14.333  19.489   8.778
  276    HB3  SER  41           2HB      SER  41  15.541  18.208   8.888
  277    HG   SER  41           HG       SER  41  16.390  19.874  10.017
  278    H    GLY  42           H        GLY  42  16.967  19.365   4.944
  279    HA2  GLY  42           1HA      GLY  42  19.020  18.360   4.416
  280    HA3  GLY  42           2HA      GLY  42  18.823  17.285   5.792
  281    HA   PRO  43           HA       PRO  43  17.372  15.432   1.583
  282    HB2  PRO  43           1HB      PRO  43  19.692  14.408   0.613
  283    HB3  PRO  43           2HB      PRO  43  19.104  16.022   0.194
  284    HG2  PRO  43           1HG      PRO  43  21.167  15.221   2.210
  285    HG3  PRO  43           2HG      PRO  43  21.198  16.562   1.050
  286    HD2  PRO  43           1HD      PRO  43  20.580  16.910   3.663
  287    HD3  PRO  43           2HD      PRO  43  19.870  17.903   2.373
  288    H    SER  44           H        SER  44  17.180  13.165   1.192
  289    HA   SER  44           HA       SER  44  17.978  11.535   3.506
  290    HB2  SER  44           1HB      SER  44  16.097  10.061   2.908
  291    HB3  SER  44           2HB      SER  44  15.554  11.719   3.169
  292    HG   SER  44           HG       SER  44  14.877  10.423   1.170
  293    H    SER  45           H        SER  45  19.932  10.711   2.938
  294    HA   SER  45           HA       SER  45  20.223   9.445   0.314
  295    HB2  SER  45           1HB      SER  45  22.579   9.491   0.677
  296    HB3  SER  45           2HB      SER  45  21.969  11.052   1.225
  297    HG   SER  45           HG       SER  45  23.491   9.672   2.617
  298    H    GLY  46           H        GLY  46  21.103   7.301   0.132
  299    HA2  GLY  46           1HA      GLY  46  21.798   5.414   1.837
  300    HA3  GLY  46           2HA      GLY  46  20.096   5.556   2.251