*HEADER    HYDROLASE INHIBITOR                     08-APR-02   1LD5              
*TITLE     STRUCTURE OF BPTI MUTANT A16V                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PANCREATIC TRYPSIN INHIBITOR;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: BOVINE;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS;                          
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PAED4                                     
*KEYWDS    BPTI, KUNITZ FOLD                                                     
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    T.CIERPICKI, J.OTLEWSKI                                               
*REVDAT   1   11-SEP-02 1LD5    0                                                

assign ((resid    22 and name     HB1))   ((resid    22 and name     HD#))     1.800 0.000 2.72
    or ((resid    22 and name     HB1))   ((resid    33 and name     HE#))
assign ((resid     4 and name     HB1))   ((resid     4 and name     HD#))     1.800 0.000 3.00
    or ((resid     4 and name     HB1))   ((resid    42 and name      HE))
assign ((resid    22 and name     HB1))   ((resid    33 and name     HD#))     1.800 0.000 3.31
    or ((resid    33 and name     HB2))   ((resid    33 and name     HD#))
assign ((resid     2 and name     HG2))   ((resid     4 and name     HE#))     1.800 0.000 3.68
    or ((resid    54 and name    HG2#))   ((resid     4 and name     HE#))
    or ((resid    54 and name    HG2#))   ((resid    45 and name     HD#))
assign ((resid    16 and name      HA))   ((resid    16 and name      HN))     1.800 0.000 1.00
    or ((resid    47 and name     HB2))   ((resid    48 and name      HN))
assign ((resid    14 and name      HA))   ((resid    15 and name      HN))     1.800 0.000 1.03
    or ((resid    15 and name      HA))   ((resid    15 and name      HN))
assign ((resid     4 and name     HB1))   ((resid     4 and name      HN))     1.800 0.000 1.03
    or ((resid    50 and name     HB#))   ((resid    50 and name      HN))
assign ((resid     5 and name     HB#))   ((resid     4 and name     HD#))     1.800 0.000 4.15
    or ((resid     7 and name     HG#))   ((resid     4 and name     HD#))
    or ((resid    23 and name     HB2))   ((resid     4 and name     HD#))
    or ((resid    42 and name     HD#))   ((resid     4 and name     HD#))
    or ((resid    42 and name     HD#))   ((resid    42 and name      HE))
assign ((resid    24 and name     HB1))   ((resid    31 and name    HE21))     1.800 0.000 1.16
    or ((resid    50 and name     HB#))   ((resid    51 and name      HN))
assign ((resid     4 and name     HB2))   ((resid     4 and name     HD#))     1.800 0.000 4.27
    or ((resid     4 and name     HB2))   ((resid    42 and name      HE))
assign ((resid    26 and name     HD#))   ((resid    22 and name     HE#))     1.800 0.000 5.99
    or ((resid    31 and name     HB2))   ((resid    22 and name     HE#))
assign ((resid    19 and name    HD1#))   ((resid    18 and name      HN))     1.800 0.000 2.71
    or ((resid    34 and name    HG1#))   ((resid    18 and name      HN))
    or ((resid    34 and name    HG1#))   ((resid    34 and name      HN))
assign ((resid    24 and name     HB2))   ((resid    22 and name     HD#))     1.800 0.000 4.49
    or ((resid    24 and name     HB2))   ((resid    23 and name     HD#))
    or ((resid    24 and name     HB2))   ((resid    24 and name    HD22))
    or ((resid    31 and name     HB1))   ((resid    22 and name     HD#))
assign ((resid     9 and name     HB1))   ((resid    22 and name     HD#))     1.800 0.000 4.74
    or ((resid     9 and name     HB1))   ((resid    33 and name     HE#))
assign ((resid    42 and name     HB1))   ((resid     4 and name     HD#))     1.800 0.000 4.80
    or ((resid    42 and name     HB1))   ((resid    42 and name      HE))
assign ((resid    33 and name      HA))   ((resid    33 and name     HD#))     1.800 0.000 4.80
    or ((resid    35 and name      HA))   ((resid    33 and name     HD#))
assign ((resid     6 and name    HD2#))   ((resid    23 and name     HE#))     1.800 0.000 5.84
    or ((resid    29 and name    HD2#))   ((resid    23 and name     HE#))
assign ((resid    18 and name    HD1#))   ((resid    35 and name     HD2))     1.800 0.000 2.99
    or ((resid    29 and name    HD1#))   ((resid    29 and name      HN))
assign ((resid    21 and name      HA))   ((resid    22 and name     HD#))     1.800 0.000 4.83
    or ((resid    21 and name      HA))   ((resid    33 and name     HE#))
assign ((resid    44 and name     HB#))   ((resid    44 and name      HN))     1.800 0.000 1.47
    or ((resid    45 and name     HB2))   ((resid    21 and name     HD#))
assign ((resid    18 and name    HG2#))   ((resid    18 and name      HN))     1.800 0.000 2.03
    or ((resid    18 and name    HG12))   ((resid    18 and name      HN))
assign ((resid    36 and name     HA2))   ((resid    16 and name      HN))     1.800 0.000 1.50
    or ((resid    37 and name      HN))   ((resid    16 and name      HN))
assign ((resid    41 and name     HE#))   ((resid    10 and name     HD#))     1.800 0.000 6.72
    or ((resid    41 and name     HE#))   ((resid    39 and name      HE))
    or ((resid    55 and name     HB#))   ((resid     4 and name      HZ))
assign ((resid     4 and name     HB1))   ((resid     4 and name     HE#))     1.800 0.000 5.23
    or ((resid    50 and name     HB#))   ((resid    45 and name     HD#))
assign ((resid    40 and name      HA))   ((resid    10 and name     HD#))     1.800 0.000 5.28
    or ((resid    40 and name      HA))   ((resid    39 and name      HE))
    or ((resid    54 and name      HA))   ((resid     4 and name      HZ))
assign ((resid    29 and name      HA))   ((resid    23 and name     HE#))     1.800 0.000 5.37
    or ((resid    55 and name      HA))   ((resid    23 and name     HE#))
assign ((resid    22 and name      HA))   ((resid    22 and name     HD#))     1.800 0.000 5.51
    or ((resid    22 and name      HA))   ((resid    33 and name     HE#))
assign ((resid    18 and name    HG2#))   ((resid    35 and name     HD2))     1.800 0.000 2.65
    or ((resid    18 and name    HG12))   ((resid    35 and name     HD2))
assign ((resid    46 and name     HB#))   ((resid    20 and name      HE))     1.800 0.000 1.84
    or ((resid    46 and name     HB#))   ((resid    47 and name      HN))
assign ((resid    18 and name    HD1#))   ((resid    17 and name      HN))     1.800 0.000 3.74
    or ((resid    18 and name    HD1#))   ((resid    35 and name     HD1))
assign ((resid    27 and name     HB#))   ((resid    24 and name    HD21))     1.800 0.000 3.89
    or ((resid    27 and name     HB#))   ((resid    26 and name      HN))
assign ((resid     9 and name     HB2))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid     9 and name     HB2))   ((resid    33 and name     HE#))
assign ((resid    33 and name      HA))   ((resid    33 and name     HE#))     1.800 0.000 5.82
    or ((resid    35 and name      HA))   ((resid    33 and name     HE#))
assign ((resid     6 and name    HD2#))   ((resid     1 and name      HE))     1.800 0.000 5.82
    or ((resid    20 and name     HB2))   ((resid    33 and name     HD#))
assign ((resid    24 and name      HA))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid    24 and name      HA))   ((resid    23 and name     HD#))
    or ((resid    24 and name      HA))   ((resid    24 and name    HD22))
assign ((resid    42 and name     HG#))   ((resid     4 and name     HD#))     1.800 0.000 5.82
    or ((resid    42 and name     HG#))   ((resid    42 and name      HE))
assign ((resid    42 and name     HG#))   ((resid     4 and name     HD#))     1.800 0.000 5.82
    or ((resid    42 and name     HG#))   ((resid    42 and name      HE))
assign ((resid     4 and name      HA))   ((resid     5 and name      HN))     1.800 0.000 2.27
    or ((resid     4 and name      HA))   ((resid     7 and name      HN))
    or ((resid    47 and name      HA))   ((resid    47 and name      HN))
assign ((resid    20 and name     HB2))   ((resid    21 and name     HD#))     1.800 0.000 5.84
    or ((resid    20 and name     HB2))   ((resid    35 and name     HD2))
    or ((resid    29 and name    HD2#))   ((resid    29 and name      HN))
assign ((resid     6 and name    HD2#))   ((resid     5 and name      HN))     1.800 0.000 4.73
    or ((resid     6 and name    HD2#))   ((resid     7 and name      HN))
assign ((resid     1 and name     HG#))   ((resid     1 and name      HE))     1.800 0.000 3.70
    or ((resid    41 and name     HG#))   ((resid    10 and name     HE#))
assign ((resid     2 and name     HG2))   ((resid     4 and name     HD#))     1.800 0.000 5.82
    or ((resid    54 and name    HG2#))   ((resid     4 and name     HD#))
assign ((resid    26 and name     HD#))   ((resid    24 and name    HD21))     1.800 0.000 4.58
    or ((resid    26 and name     HD#))   ((resid    26 and name      HN))
    or ((resid    31 and name     HB2))   ((resid    24 and name    HD21))
assign ((resid     2 and name      HA))   ((resid     5 and name      HN))     1.800 0.000 3.45
    or ((resid     3 and name      HA))   ((resid     5 and name      HN))
    or ((resid     3 and name      HA))   ((resid     7 and name      HN))
assign ((resid    19 and name    HD1#))   ((resid    17 and name      HE))     1.800 0.000 4.73
    or ((resid    34 and name    HG1#))   ((resid    17 and name      HE))
assign ((resid    24 and name    HD21))   ((resid    22 and name     HD#))     1.800 0.000 2.72
    or ((resid    24 and name    HD21))   ((resid    24 and name    HD22))
    or ((resid    26 and name      HN))   ((resid    23 and name     HD#))
    or ((resid    26 and name      HN))   ((resid    24 and name    HD22))
assign ((resid    22 and name     HD#))   ((resid    24 and name    HD21))     1.800 0.000 2.91
    or ((resid    24 and name    HD22))   ((resid    24 and name    HD21))
    or ((resid    24 and name    HD22))   ((resid    26 and name      HN))
assign ((resid     4 and name     HD#))   ((resid     4 and name     HE#))     1.800 0.000 6.11
    or ((resid     4 and name     HD#))   ((resid    45 and name     HD#))
    or ((resid    42 and name      HE))   ((resid     4 and name     HE#))
assign ((resid    22 and name     HD#))   ((resid    24 and name      HN))     1.800 0.000 4.21
    or ((resid    22 and name     HD#))   ((resid    43 and name    HD22))
assign ((resid    41 and name      HN))   ((resid    10 and name     HD#))     1.800 0.000 4.91
    or ((resid    41 and name      HN))   ((resid    39 and name      HE))
assign ((resid    24 and name      HN))   ((resid    22 and name     HD#))     1.800 0.000 5.45
    or ((resid    43 and name    HD22))   ((resid    22 and name     HD#))
assign ((resid    10 and name     HD#))   ((resid    41 and name      HN))     1.800 0.000 5.81
    or ((resid    39 and name      HE))   ((resid    41 and name      HN))
assign ((resid     4 and name     HE#))   ((resid     4 and name      HN))     1.800 0.000 5.82
    or ((resid    45 and name     HD#))   ((resid    50 and name      HN))
assign ((resid    24 and name    HD21))   ((resid    22 and name     HE#))     1.800 0.000 5.82
    or ((resid    26 and name      HN))   ((resid    22 and name     HE#))
assign ((resid    11 and name      HN))   ((resid    10 and name     HE#))     1.800 0.000 5.83
    or ((resid    11 and name      HN))   ((resid    33 and name     HD#))
assign ((resid    43 and name    HD21))   ((resid     5 and name      HN))     1.800 0.000 3.70
    or ((resid    43 and name    HD21))   ((resid     7 and name      HN))
assign ((resid    45 and name      HN))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid    45 and name      HN))   ((resid    33 and name     HE#))
assign ((resid     4 and name      HN))   ((resid     4 and name     HE#))     1.800 0.000 5.82
    or ((resid    50 and name      HN))   ((resid    45 and name     HD#))
assign ((resid    22 and name     HE#))   ((resid    24 and name    HD21))     1.800 0.000 5.82
    or ((resid    22 and name     HE#))   ((resid    26 and name      HN))
assign ((resid    55 and name     HB#))   ((resid     5 and name     HB#))     1.800 0.000 1.03
    or ((resid    55 and name     HB#))   ((resid    23 and name     HB2))
assign ((resid    19 and name    HD1#))   ((resid    34 and name      HA))     1.800 0.000 2.19
    or ((resid    34 and name    HG1#))   ((resid    34 and name      HA))
assign ((resid    15 and name     HG#))   ((resid    34 and name    HG1#))     1.800 0.000 2.62
    or ((resid    17 and name     HG#))   ((resid    19 and name    HD1#))
    or ((resid    17 and name     HG#))   ((resid    34 and name    HG1#))
    or ((resid    19 and name    HG11))   ((resid    19 and name    HD1#))
    or ((resid    19 and name    HG11))   ((resid    34 and name    HG1#))
assign ((resid     6 and name    HD1#))   ((resid     2 and name      HA))     1.800 0.000 1.59
    or ((resid     6 and name    HD1#))   ((resid     3 and name      HA))
    or ((resid    18 and name    HG2#))   ((resid    18 and name      HA))
    or ((resid    18 and name    HG12))   ((resid    18 and name      HA))
assign ((resid     7 and name     HG#))   ((resid    41 and name     HE#))     1.800 0.000 5.14
    or ((resid    23 and name     HB2))   ((resid    55 and name     HB#))
assign ((resid    52 and name     HB#))   ((resid    49 and name      HA))     1.800 0.000 1.47
    or ((resid    52 and name      HG))   ((resid    49 and name      HA))
assign ((resid    17 and name     HG#))   ((resid    19 and name    HD1#))     1.800 0.000 4.73
    or ((resid    17 and name     HG#))   ((resid    34 and name    HG1#))
assign ((resid    18 and name    HG2#))   ((resid    35 and name     HB1))     1.800 0.000 3.70
    or ((resid    18 and name    HG12))   ((resid    35 and name     HB1))
assign ((resid    40 and name      HA))   ((resid    41 and name      HN))     1.800 0.000 0.60
    or ((resid    47 and name     HB2))   ((resid    49 and name      HN))
assign ((resid     2 and name     HG2))   ((resid     4 and name     HE#))     1.800 0.000 3.40
    or ((resid    54 and name    HG2#))   ((resid     4 and name     HE#))
    or ((resid    54 and name    HG2#))   ((resid    45 and name     HD#))
    or ((resid    54 and name    HG2#))   ((resid    54 and name      HN))
assign ((resid     3 and name     HB#))   ((resid     3 and name      HN))     1.800 0.000 2.41
    or ((resid    22 and name     HB1))   ((resid    31 and name      HN))
assign ((resid    22 and name      HA))   ((resid    22 and name     HD#))     1.800 0.000 4.27
    or ((resid    22 and name      HA))   ((resid    33 and name     HE#))
assign ((resid    15 and name     HB#))   ((resid    15 and name      HN))     1.800 0.000 1.19
    or ((resid    15 and name     HG#))   ((resid    15 and name      HN))
assign ((resid    12 and name     HA1))   ((resid    10 and name     HE#))     1.800 0.000 4.38
    or ((resid    39 and name     HD1))   ((resid    10 and name     HE#))
    or ((resid    43 and name     HB1))   ((resid    33 and name     HD#))
assign ((resid    18 and name    HG2#))   ((resid    19 and name      HN))     1.800 0.000 1.81
    or ((resid    18 and name    HG12))   ((resid    19 and name      HN))
assign ((resid    53 and name      HA))   ((resid    54 and name      HN))     1.800 0.000 1.41
    or ((resid    54 and name      HB))   ((resid     4 and name     HE#))
    or ((resid    54 and name      HB))   ((resid    45 and name     HD#))
    or ((resid    54 and name      HB))   ((resid    54 and name      HN))
assign ((resid    33 and name     HB1))   ((resid    22 and name     HD#))     1.800 0.000 4.77
    or ((resid    33 and name     HB1))   ((resid    33 and name     HE#))
assign ((resid     1 and name     HB#))   ((resid     4 and name     HE#))     1.800 0.000 1.44
    or ((resid    51 and name      HA))   ((resid     4 and name     HE#))
    or ((resid    51 and name      HA))   ((resid    45 and name     HD#))
    or ((resid    51 and name      HA))   ((resid    54 and name      HN))
assign ((resid    24 and name     HB1))   ((resid    24 and name      HN))     1.800 0.000 1.47
    or ((resid    24 and name     HB1))   ((resid    24 and name    HD21))
    or ((resid    24 and name     HB1))   ((resid    26 and name      HN))
assign ((resid    21 and name      HA))   ((resid    22 and name     HD#))     1.800 0.000 4.95
    or ((resid    21 and name      HA))   ((resid    33 and name     HE#))
assign ((resid    26 and name     HD#))   ((resid    22 and name     HE#))     1.800 0.000 6.70
    or ((resid    31 and name     HB2))   ((resid    22 and name     HE#))
assign ((resid    40 and name      HA))   ((resid    40 and name      HN))     1.800 0.000 1.59
    or ((resid    54 and name      HA))   ((resid     4 and name     HE#))
    or ((resid    54 and name      HA))   ((resid    54 and name      HN))
assign ((resid    23 and name      HA))   ((resid    23 and name     HD#))     1.800 0.000 5.13
    or ((resid    50 and name      HA))   ((resid    53 and name      HE))
assign ((resid    45 and name     HB2))   ((resid    51 and name      HN))     1.800 0.000 1.72
    or ((resid    50 and name     HB#))   ((resid    51 and name      HN))
assign ((resid    11 and name    HG2#))   ((resid    10 and name     HE#))     1.800 0.000 6.55
    or ((resid    11 and name    HG2#))   ((resid    33 and name     HD#))
assign ((resid     5 and name     HB#))   ((resid    23 and name     HD#))     1.800 0.000 5.56
    or ((resid    23 and name     HB2))   ((resid    23 and name     HD#))
assign ((resid    35 and name     HB2))   ((resid    33 and name     HE#))     1.800 0.000 5.82
    or ((resid    44 and name     HB#))   ((resid    33 and name     HE#))
assign ((resid    52 and name     HB#))   ((resid    53 and name      HN))     1.800 0.000 1.99
    or ((resid    52 and name      HG))   ((resid    53 and name      HN))
assign ((resid    45 and name     HB2))   ((resid    46 and name      HN))     1.800 0.000 2.03
    or ((resid    50 and name     HB#))   ((resid    46 and name      HN))
assign ((resid     4 and name     HB2))   ((resid    43 and name      HN))     1.800 0.000 2.15
    or ((resid    43 and name     HB1))   ((resid    43 and name      HN))
assign ((resid     8 and name     HG#))   ((resid    10 and name     HD#))     1.800 0.000 6.72
    or ((resid    41 and name     HE#))   ((resid    10 and name     HD#))
assign ((resid    29 and name      HA))   ((resid    23 and name     HE#))     1.800 0.000 5.83
    or ((resid    55 and name      HA))   ((resid    23 and name     HE#))
assign ((resid     9 and name     HB2))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid     9 and name     HB2))   ((resid    33 and name     HE#))
assign ((resid     5 and name     HB#))   ((resid     4 and name     HD#))     1.800 0.000 5.82
    or ((resid    21 and name     HB#))   ((resid    51 and name      HN))
    or ((resid    23 and name     HB2))   ((resid     4 and name     HD#))
    or ((resid    42 and name     HD#))   ((resid     4 and name     HD#))
assign ((resid    24 and name     HB2))   ((resid    22 and name      HZ))     1.800 0.000 3.70
    or ((resid    31 and name     HB1))   ((resid    22 and name      HZ))
assign ((resid    24 and name      HA))   ((resid    24 and name      HN))     1.800 0.000 2.49
    or ((resid    24 and name      HA))   ((resid    24 and name    HD21))
    or ((resid    24 and name      HA))   ((resid    26 and name      HN))
assign ((resid     2 and name      HA))   ((resid     4 and name      HN))     1.800 0.000 2.77
    or ((resid     3 and name      HA))   ((resid     4 and name      HN))
assign ((resid     9 and name     HB1))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid     9 and name     HB1))   ((resid    33 and name     HE#))
assign ((resid     6 and name    HD2#))   ((resid    23 and name     HE#))     1.800 0.000 6.86
    or ((resid    29 and name    HD2#))   ((resid    23 and name     HE#))
assign ((resid    27 and name     HB#))   ((resid    31 and name    HE21))     1.800 0.000 3.70
    or ((resid    42 and name     HG#))   ((resid    42 and name      HE))
assign ((resid     9 and name     HG1))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid     9 and name     HG1))   ((resid    33 and name     HE#))
assign ((resid    19 and name    HD1#))   ((resid    17 and name      HE))     1.800 0.000 4.73
    or ((resid    34 and name    HG1#))   ((resid    17 and name      HE))
assign ((resid    18 and name    HG2#))   ((resid    35 and name     HE2))     1.800 0.000 3.70
    or ((resid    18 and name    HG12))   ((resid    35 and name     HE2))
assign ((resid    45 and name     HE#))   ((resid    55 and name      HN))     1.800 0.000 0.75
    or ((resid    56 and name      HN))   ((resid    55 and name      HN))
assign ((resid     4 and name     HE#))   ((resid    45 and name      HZ))     1.800 0.000 4.21
    or ((resid    45 and name     HD#))   ((resid    45 and name      HZ))
    or ((resid    54 and name      HN))   ((resid    45 and name      HZ))
assign ((resid    45 and name      HZ))   ((resid     4 and name     HE#))     1.800 0.000 4.46
    or ((resid    45 and name      HZ))   ((resid    54 and name      HN))
assign ((resid    55 and name      HN))   ((resid     4 and name     HE#))     1.800 0.000 1.34
    or ((resid    55 and name      HN))   ((resid    45 and name     HD#))
    or ((resid    55 and name      HN))   ((resid    54 and name      HN))
assign ((resid    22 and name      HN))   ((resid    22 and name     HD#))     1.800 0.000 4.61
    or ((resid    22 and name      HN))   ((resid    33 and name     HE#))
assign ((resid    45 and name     HE#))   ((resid     4 and name     HE#))     1.800 0.000 1.41
    or ((resid    45 and name     HE#))   ((resid    45 and name     HD#))
    or ((resid    45 and name     HE#))   ((resid    54 and name      HN))
    or ((resid    56 and name      HN))   ((resid     4 and name     HE#))
    or ((resid    56 and name      HN))   ((resid    54 and name      HN))
assign ((resid    23 and name      HN))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid    23 and name      HN))   ((resid    33 and name     HE#))
assign ((resid    35 and name     HE1))   ((resid    35 and name      HH))     1.800 0.000 3.20
    or ((resid    35 and name     HE2))   ((resid    35 and name      HH))
assign ((resid    22 and name     HE#))   ((resid    24 and name      HN))     1.800 0.000 5.82
    or ((resid    22 and name     HE#))   ((resid    24 and name    HD21))
    or ((resid    22 and name     HE#))   ((resid    26 and name      HN))
assign ((resid    35 and name      HH))   ((resid    35 and name     HE1))     1.800 0.000 3.33
    or ((resid    35 and name      HH))   ((resid    35 and name     HE2))
assign ((resid    24 and name      HN))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid    43 and name    HD22))   ((resid    22 and name     HD#))
assign ((resid    21 and name      HN))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid    21 and name      HN))   ((resid    33 and name     HE#))
assign ((resid    24 and name      HN))   ((resid    22 and name     HE#))     1.800 0.000 5.82
    or ((resid    24 and name    HD21))   ((resid    22 and name     HE#))
    or ((resid    26 and name      HN))   ((resid    22 and name     HE#))
assign ((resid     6 and name     HB#))   ((resid     3 and name      HA))     1.800 0.000 1.51
    or ((resid    16 and name      HB))   ((resid    18 and name      HA))
    or ((resid    18 and name      HB))   ((resid    18 and name      HA))
assign ((resid    22 and name     HB1))   ((resid    22 and name     HD#))     1.800 0.000 3.00
    or ((resid    22 and name     HB1))   ((resid    33 and name     HE#))
    or ((resid    33 and name     HB2))   ((resid    22 and name     HD#))
    or ((resid    33 and name     HB2))   ((resid    33 and name     HE#))
assign ((resid    12 and name     HA1))   ((resid    10 and name     HE#))     1.800 0.000 3.07
    or ((resid    39 and name     HD1))   ((resid    10 and name     HE#))
assign ((resid     6 and name    HD1#))   ((resid     2 and name      HA))     1.800 0.000 0.60
    or ((resid     6 and name    HD1#))   ((resid     3 and name      HA))
    or ((resid    18 and name    HG2#))   ((resid    18 and name      HA))
    or ((resid    18 and name    HG12))   ((resid    18 and name      HA))
assign ((resid    34 and name      HA))   ((resid    19 and name    HD1#))     1.800 0.000 1.63
    or ((resid    34 and name      HA))   ((resid    34 and name    HG1#))
assign ((resid    19 and name    HD1#))   ((resid    34 and name      HA))     1.800 0.000 1.63
    or ((resid    34 and name    HG1#))   ((resid    34 and name      HA))
assign ((resid     2 and name      HA))   ((resid     6 and name    HD1#))     1.800 0.000 0.60
    or ((resid     3 and name      HA))   ((resid     6 and name    HD1#))
    or ((resid    18 and name      HA))   ((resid    18 and name    HG2#))
    or ((resid    18 and name      HA))   ((resid    18 and name    HG12))
assign ((resid    53 and name     HG#))   ((resid    54 and name      HN))     1.800 0.000 0.63
    or ((resid    54 and name    HG2#))   ((resid     4 and name     HE#))
    or ((resid    54 and name    HG2#))   ((resid    45 and name     HD#))
    or ((resid    54 and name    HG2#))   ((resid    54 and name      HN))
assign ((resid    52 and name    HD2#))   ((resid    52 and name     HB#))     1.800 0.000 1.69
    or ((resid    52 and name    HD2#))   ((resid    52 and name      HG))
assign ((resid     7 and name      HA))   ((resid     8 and name     HD2))     1.800 0.000 0.75
    or ((resid    55 and name      HA))   ((resid     2 and name     HD1))
assign ((resid     6 and name    HD2#))   ((resid     6 and name      HG))     1.800 0.000 1.88
    or ((resid    52 and name    HD1#))   ((resid    52 and name     HB#))
    or ((resid    52 and name    HD1#))   ((resid    52 and name      HG))
assign ((resid     2 and name     HD1))   ((resid    55 and name      HA))     1.800 0.000 0.85
    or ((resid     8 and name     HD2))   ((resid     7 and name      HA))
assign ((resid    52 and name     HB#))   ((resid    52 and name      HA))     1.800 0.000 0.75
    or ((resid    52 and name      HG))   ((resid    52 and name      HA))
assign ((resid     9 and name     HD2))   ((resid     9 and name     HB2))     1.800 0.000 0.94
    or ((resid     9 and name     HD2))   ((resid     9 and name     HG1))
assign ((resid    26 and name     HD#))   ((resid    22 and name     HE#))     1.800 0.000 5.40
    or ((resid    31 and name     HB2))   ((resid    22 and name     HE#))
assign ((resid    17 and name     HG#))   ((resid    19 and name    HD1#))     1.800 0.000 2.34
    or ((resid    17 and name     HG#))   ((resid    34 and name    HG1#))
assign ((resid     6 and name    HD2#))   ((resid    23 and name     HE#))     1.800 0.000 5.06
    or ((resid    29 and name    HD2#))   ((resid    23 and name     HE#))
assign ((resid    52 and name      HA))   ((resid    52 and name     HB#))     1.800 0.000 1.06
    or ((resid    52 and name      HA))   ((resid    52 and name      HG))
assign ((resid     2 and name     HB2))   ((resid     2 and name     HG2))     1.800 0.000 1.34
    or ((resid     2 and name     HB2))   ((resid    54 and name    HG2#))
assign ((resid    41 and name     HE#))   ((resid     7 and name     HG#))     1.800 0.000 4.46
    or ((resid    55 and name     HB#))   ((resid     5 and name     HB#))
    or ((resid    55 and name     HB#))   ((resid    23 and name     HB2))
assign ((resid     1 and name     HB#))   ((resid     4 and name     HE#))     1.800 0.000 1.13
    or ((resid    51 and name      HA))   ((resid     4 and name     HE#))
    or ((resid    51 and name      HA))   ((resid    45 and name     HD#))
    or ((resid    51 and name      HA))   ((resid    54 and name      HN))
assign ((resid    19 and name    HD1#))   ((resid    17 and name     HG#))     1.800 0.000 2.53
    or ((resid    34 and name    HG1#))   ((resid    17 and name     HG#))
assign ((resid    20 and name     HD2))   ((resid    19 and name      HA))     1.800 0.000 1.62
    or ((resid    20 and name     HD2))   ((resid    46 and name      HA))
    or ((resid    46 and name     HE#))   ((resid    46 and name      HA))
assign ((resid     4 and name     HB1))   ((resid     4 and name     HE#))     1.800 0.000 1.34
    or ((resid    50 and name     HB#))   ((resid    45 and name     HD#))
    or ((resid    50 and name     HB#))   ((resid    54 and name      HN))
assign ((resid    41 and name     HE#))   ((resid    10 and name     HD#))     1.800 0.000 6.44
    or ((resid    55 and name     HB#))   ((resid     4 and name      HZ))
assign ((resid    29 and name      HA))   ((resid    23 and name     HE#))     1.800 0.000 4.78
    or ((resid    55 and name      HA))   ((resid    23 and name     HE#))
assign ((resid    14 and name     HB2))   ((resid    13 and name      HA))     1.800 0.000 1.50
    or ((resid    24 and name     HB1))   ((resid    24 and name      HA))
    or ((resid    50 and name     HB#))   ((resid    47 and name      HA))
assign ((resid    18 and name    HD1#))   ((resid    35 and name     HD2))     1.800 0.000 3.27
    or ((resid    29 and name    HD1#))   ((resid    29 and name      HN))
assign ((resid    22 and name     HB1))   ((resid     9 and name     HB1))     1.800 0.000 2.34
    or ((resid    33 and name     HB2))   ((resid     9 and name     HB1))
assign ((resid    43 and name      HA))   ((resid     4 and name     HE#))     1.800 0.000 5.39
    or ((resid    43 and name      HA))   ((resid    45 and name     HD#))
assign ((resid    33 and name      HA))   ((resid    33 and name     HE#))     1.800 0.000 5.45
    or ((resid    35 and name      HA))   ((resid    33 and name     HE#))
assign ((resid     9 and name     HB2))   ((resid    22 and name     HE#))     1.800 0.000 5.48
    or ((resid     9 and name     HG1))   ((resid    22 and name     HE#))
assign ((resid    33 and name      HA))   ((resid    33 and name     HD#))     1.800 0.000 5.51
    or ((resid    35 and name      HA))   ((resid    33 and name     HD#))
assign ((resid    18 and name    HG2#))   ((resid    35 and name     HD2))     1.800 0.000 2.58
    or ((resid    18 and name    HG12))   ((resid    35 and name     HD2))
assign ((resid    29 and name      HA))   ((resid    28 and name     HA1))     1.800 0.000 2.06
    or ((resid    55 and name      HA))   ((resid     2 and name     HD2))
assign ((resid     2 and name      HA))   ((resid     4 and name     HE#))     1.800 0.000 2.15
    or ((resid     3 and name      HA))   ((resid     4 and name     HE#))
    or ((resid    50 and name      HA))   ((resid    45 and name     HD#))
    or ((resid    50 and name      HA))   ((resid    54 and name      HN))
assign ((resid     2 and name     HD2))   ((resid    55 and name      HA))     1.800 0.000 2.27
    or ((resid    28 and name     HA1))   ((resid    29 and name      HA))
assign ((resid    17 and name     HD1))   ((resid    19 and name    HD1#))     1.800 0.000 4.73
    or ((resid    17 and name     HD1))   ((resid    34 and name    HG1#))
assign ((resid    32 and name      HA))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid    32 and name      HA))   ((resid    33 and name     HE#))
assign ((resid    33 and name      HA))   ((resid    32 and name      HB))     1.800 0.000 2.62
    or ((resid    35 and name      HA))   ((resid    11 and name      HB))
assign ((resid    22 and name      HA))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid    22 and name      HA))   ((resid    33 and name     HE#))
assign ((resid    18 and name    HG2#))   ((resid    35 and name     HB1))     1.800 0.000 3.70
    or ((resid    18 and name    HG12))   ((resid    35 and name     HB1))
assign ((resid    24 and name     HB2))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid    31 and name     HB1))   ((resid    22 and name     HD#))
assign ((resid    19 and name    HD1#))   ((resid    17 and name     HB#))     1.800 0.000 4.73
    or ((resid    34 and name    HG1#))   ((resid    17 and name     HB#))
assign ((resid    11 and name    HG2#))   ((resid    10 and name     HE#))     1.800 0.000 6.86
    or ((resid    11 and name    HG2#))   ((resid    33 and name     HD#))
assign ((resid    23 and name      HA))   ((resid    29 and name      HN))     1.800 0.000 3.51
    or ((resid    27 and name      HA))   ((resid    29 and name      HN))
    or ((resid    37 and name     HA2))   ((resid    35 and name     HD2))
assign ((resid     9 and name     HB2))   ((resid    22 and name     HD#))     1.800 0.000 5.82
    or ((resid     9 and name     HG1))   ((resid    22 and name     HD#))


assign (resid  1  and name HA ) (resid 1 and name HB# ) 1.80 0.00  1.28 
assign (resid  1  and name HA ) (resid 2 and name HD2 ) 1.80 0.00  1.03 
assign (resid  1  and name HA ) (resid 2 and name HD1 ) 1.80 0.00  1.06 
assign (resid  1  and name HB# ) (resid 1 and name HE ) 1.80 0.00  3.39 
assign (resid  1  and name HB# ) (resid 2 and name HD2 ) 1.80 0.00  3.70 
assign (resid  1  and name HB# ) (resid 1 and name HD# ) 1.80 0.00  3.14 
assign (resid  1  and name HG# ) (resid 1 and name HD# ) 1.80 0.00  2.27 
assign (resid  1  and name HG# ) (resid 1 and name HE ) 1.80 0.00  2.15 
assign (resid  1  and name HG# ) (resid 1 and name HD# ) 1.80 0.00  3.36 
assign (resid  1  and name HD# ) (resid 1 and name HE ) 1.80 0.00  1.68 
assign (resid  1  and name HD# ) (resid 23 and name HE# ) 1.80 0.00  4.84 
assign (resid  1  and name HD# ) (resid 1 and name HE ) 1.80 0.00  1.75 
assign (resid  1  and name HD# ) (resid 6 and name HD2# ) 1.80 0.00  4.73 
assign (resid  1  and name HD# ) (resid 23 and name HE# ) 1.80 0.00  4.81 
assign (resid  1  and name HE ) (resid 6 and name HD2# ) 1.80 0.00  4.73 
assign (resid  2  and name HA ) (resid 2 and name HB2 ) 1.80 0.00  1.75 
assign (resid  2  and name HA ) (resid 2 and name HB1 ) 1.80 0.00  1.00 
assign (resid  2  and name HA ) (resid 3 and name HN ) 1.80 0.00  0.60 
assign (resid  2  and name HB2 ) (resid 2 and name HB1 ) 1.80 0.00  0.72 
assign (resid  2  and name HB2 ) (resid 2 and name HD2 ) 1.80 0.00  2.03 
assign (resid  2  and name HB2 ) (resid 3 and name HN ) 1.80 0.00  2.43 
assign (resid  2  and name HB2 ) (resid 4 and name HN ) 1.80 0.00  1.72 
assign (resid  2  and name HB2 ) (resid 4 and name HD# ) 1.80 0.00  5.82 
assign (resid  2  and name HB2 ) (resid 4 and name HE# ) 1.80 0.00  5.82 
assign (resid  2  and name HB2 ) (resid 5 and name HN ) 1.80 0.00  2.62 
assign (resid  2  and name HB1 ) (resid 3 and name HN ) 1.80 0.00  1.93 
assign (resid  2  and name HB1 ) (resid 4 and name HN ) 1.80 0.00  3.02 
assign (resid  2  and name HB1 ) (resid 4 and name HD# ) 1.80 0.00  5.82 
assign (resid  2  and name HB1 ) (resid 4 and name HE# ) 1.80 0.00  5.26 
assign (resid  2  and name HB1 ) (resid 4 and name HZ ) 1.80 0.00  3.70 
assign (resid  2  and name HG2 ) (resid 2 and name HD2 ) 1.80 0.00  1.25 
assign (resid  2  and name HG2 ) (resid 4 and name HZ ) 1.80 0.00  0.72 
assign (resid  2  and name HG1 ) (resid 2 and name HD2 ) 1.80 0.00  1.41 
assign (resid  2  and name HG1 ) (resid 2 and name HD1 ) 1.80 0.00  1.87 
assign (resid  2  and name HG1 ) (resid 4 and name HE# ) 1.80 0.00  5.82 
assign (resid  2  and name HG1 ) (resid 4 and name HZ ) 1.80 0.00  3.70 
assign (resid  2  and name HD2 ) (resid 55 and name HA ) 1.80 0.00  3.64 
assign (resid  3  and name HN ) (resid 3 and name HB# ) 1.80 0.00  2.41 
assign (resid  3  and name HN ) (resid 4 and name HN ) 1.80 0.00  1.62 
assign (resid  3  and name HN ) (resid 4 and name HD# ) 1.80 0.00  5.82 
assign (resid  3  and name HN ) (resid 5 and name HN ) 1.80 0.00  3.70 
assign (resid  3  and name HA ) (resid 5 and name HN ) 1.80 0.00  2.52 
assign (resid  3  and name HA ) (resid 6 and name HG ) 1.80 0.00  2.55 
assign (resid  3  and name HB# ) (resid 4 and name HN ) 1.80 0.00  2.38 
assign (resid  3  and name HB# ) (resid 4 and name HA ) 1.80 0.00  4.58 
assign (resid  3  and name HB# ) (resid 6 and name HD1# ) 1.80 0.00  5.60 
assign (resid  4  and name HN ) (resid 4 and name HA ) 1.80 0.00  1.50 
assign (resid  4  and name HN ) (resid 4 and name HB2 ) 1.80 0.00  1.62 
assign (resid  4  and name HN ) (resid 4 and name HB1 ) 1.80 0.00  1.28 
assign (resid  4  and name HN ) (resid 4 and name HD# ) 1.80 0.00  3.34 
assign (resid  4  and name HN ) (resid 5 and name HN ) 1.80 0.00  1.03 
assign (resid  4  and name HA ) (resid 4 and name HB2 ) 1.80 0.00  0.75 
assign (resid  4  and name HA ) (resid 4 and name HB1 ) 1.80 0.00  0.82 
assign (resid  4  and name HA ) (resid 4 and name HD# ) 1.80 0.00  5.29 
assign (resid  4  and name HA ) (resid 5 and name HN ) 1.80 0.00  2.83 
assign (resid  4  and name HA ) (resid 6 and name HN ) 1.80 0.00  2.27 
assign (resid  4  and name HA ) (resid 7 and name HN ) 1.80 0.00  2.49 
assign (resid  4  and name HA ) (resid 7 and name HG# ) 1.80 0.00  3.49 
assign (resid  4  and name HB2 ) (resid 4 and name HD# ) 1.80 0.00  3.62 
assign (resid  4  and name HB2 ) (resid 7 and name HB# ) 1.80 0.00  4.39 
assign (resid  4  and name HB2 ) (resid 42 and name HB2 ) 1.80 0.00  2.40 
assign (resid  4  and name HB2 ) (resid 42 and name HB1 ) 1.80 0.00  2.96 
assign (resid  4  and name HB1 ) (resid 4 and name HD# ) 1.80 0.00  2.85 
assign (resid  4  and name HB1 ) (resid 42 and name HB2 ) 1.80 0.00  3.70 
assign (resid  4  and name HD# ) (resid 4 and name HZ ) 1.80 0.00  5.79 
assign (resid  4  and name HD# ) (resid 5 and name HA ) 1.80 0.00  5.39 
assign (resid  4  and name HD# ) (resid 42 and name HB2 ) 1.80 0.00  5.82 
assign (resid  4  and name HD# ) (resid 42 and name HB1 ) 1.80 0.00  5.82 
assign (resid  4  and name HD# ) (resid 42 and name HG# ) 1.80 0.00  5.82 
assign (resid  4  and name HD# ) (resid 43 and name HA ) 1.80 0.00  5.82 
assign (resid  4  and name HD# ) (resid 45 and name HZ ) 1.80 0.00  5.82 
assign (resid  4  and name HD# ) (resid 54 and name HG2# ) 1.80 0.00  6.85 
assign (resid  4  and name HE# ) (resid 42 and name HB1 ) 1.80 0.00  5.67 
assign (resid  4  and name HE# ) (resid 43 and name HA ) 1.80 0.00  5.82 
assign (resid  4  and name HZ ) (resid 45 and name HZ ) 1.80 0.00  3.45 
assign (resid  4  and name HZ ) (resid 54 and name HA ) 1.80 0.00  2.34 
assign (resid  4  and name HZ ) (resid 54 and name HB ) 1.80 0.00  3.70 
assign (resid  4  and name HZ ) (resid 54 and name HG2# ) 1.80 0.00  1.72 
assign (resid  5  and name HN ) (resid 5 and name HA ) 1.80 0.00  1.59 
assign (resid  5  and name HN ) (resid 5 and name HB# ) 1.80 0.00  0.94 
assign (resid  5  and name HN ) (resid 5 and name HB# ) 1.80 0.00  1.65 
assign (resid  5  and name HA ) (resid 5 and name HB# ) 1.80 0.00  1.37 
assign (resid  5  and name HA ) (resid 5 and name HB# ) 1.80 0.00  1.34 
assign (resid  5  and name HA ) (resid 6 and name HN ) 1.80 0.00  1.78 
assign (resid  5  and name HA ) (resid 7 and name HN ) 1.80 0.00  1.78 
assign (resid  5  and name HA ) (resid 23 and name HB1 ) 1.80 0.00  1.87 
assign (resid  5  and name HB# ) (resid 55 and name HB# ) 1.80 0.00  2.43 
assign (resid  5  and name HB# ) (resid 23 and name HD# ) 1.80 0.00  5.81 
assign (resid  5  and name HB# ) (resid 55 and name HB# ) 1.80 0.00  3.08 
assign (resid  6  and name HN ) (resid 6 and name HA ) 1.80 0.00  1.25 
assign (resid  6  and name HN ) (resid 6 and name HB# ) 1.80 0.00  1.82 
assign (resid  6  and name HN ) (resid 6 and name HG ) 1.80 0.00  0.69 
assign (resid  6  and name HN ) (resid 6 and name HD1# ) 1.80 0.00  4.05 
assign (resid  6  and name HN ) (resid 6 and name HD2# ) 1.80 0.00  4.73 
assign (resid  6  and name HA ) (resid 6 and name HB# ) 1.80 0.00  2.00 
assign (resid  6  and name HA ) (resid 6 and name HG ) 1.80 0.00  3.24 
assign (resid  6  and name HA ) (resid 6 and name HD1# ) 1.80 0.00  4.73 
assign (resid  6  and name HA ) (resid 6 and name HD2# ) 1.80 0.00  2.34 
assign (resid  6  and name HA ) (resid 7 and name HN ) 1.80 0.00  1.41 
assign (resid  6  and name HA ) (resid 23 and name HE# ) 1.80 0.00  5.83 
assign (resid  6  and name HB# ) (resid 6 and name HD1# ) 1.80 0.00  3.15 
assign (resid  6  and name HB# ) (resid 7 and name HN ) 1.80 0.00  2.81 
assign (resid  6  and name HG ) (resid 6 and name HD1# ) 1.80 0.00  2.81 
assign (resid  6  and name HD2# ) (resid 25 and name HA ) 1.80 0.00  4.73 
assign (resid  6  and name HD2# ) (resid 25 and name HB# ) 1.80 0.00  4.21 
assign (resid  7  and name HN ) (resid 7 and name HA ) 1.80 0.00  1.44 
assign (resid  7  and name HN ) (resid 7 and name HB# ) 1.80 0.00  2.19 
assign (resid  7  and name HN ) (resid 7 and name HG# ) 1.80 0.00  4.58 
assign (resid  7  and name HN ) (resid 43 and name HD21 ) 1.80 0.00  3.70 
assign (resid  7  and name HA ) (resid 7 and name HB# ) 1.80 0.00  2.22 
assign (resid  7  and name HA ) (resid 8 and name HD# ) 1.80 0.00  1.44 
assign (resid  7  and name HA ) (resid 8 and name HD# ) 1.80 0.00  1.00 
assign (resid  7  and name HB# ) (resid 7 and name HG# ) 1.80 0.00  4.71 
assign (resid  7  and name HB# ) (resid 8 and name HD# ) 1.80 0.00  3.77 
assign (resid  7  and name HB# ) (resid 8 and name HD# ) 1.80 0.00  4.58 
assign (resid  7  and name HB# ) (resid 43 and name HB2 ) 1.80 0.00  4.58 
assign (resid  8  and name HA ) (resid 8 and name HB2 ) 1.80 0.00  1.99 
assign (resid  8  and name HA ) (resid 8 and name HB1 ) 1.80 0.00  1.31 
assign (resid  8  and name HA ) (resid 9 and name HD2 ) 1.80 0.00  2.06 
assign (resid  8  and name HA ) (resid 9 and name HD1 ) 1.80 0.00  1.56 
assign (resid  8  and name HB2 ) (resid 9 and name HD2 ) 1.80 0.00  3.36 
assign (resid  8  and name HB1 ) (resid 9 and name HD2 ) 1.80 0.00  2.43 
assign (resid  8  and name HB1 ) (resid 9 and name HD1 ) 1.80 0.00  3.70 
assign (resid  8  and name HG# ) (resid 8 and name HD# ) 1.80 0.00  2.90 
assign (resid  8  and name HG# ) (resid 8 and name HD# ) 1.80 0.00  2.59 
assign (resid  9  and name HA ) (resid 9 and name HB2 ) 1.80 0.00  0.91 
assign (resid  9  and name HA ) (resid 9 and name HB1 ) 1.80 0.00  1.06 
assign (resid  9  and name HA ) (resid 10 and name HN ) 1.80 0.00  0.60 
assign (resid  9  and name HA ) (resid 33 and name HE# ) 1.80 0.00  5.82 
assign (resid  9  and name HB2 ) (resid 10 and name HN ) 1.80 0.00  2.37 
assign (resid  9  and name HB2 ) (resid 22 and name HB2 ) 1.80 0.00  3.70 
assign (resid  9  and name HB2 ) (resid 22 and name HB1 ) 1.80 0.00  2.96 
assign (resid  9  and name HB2 ) (resid 33 and name HB1 ) 1.80 0.00  3.70 
assign (resid  9  and name HB2 ) (resid 33 and name HD# ) 1.80 0.00  5.39 
assign (resid  9  and name HB2 ) (resid 33 and name HE# ) 1.80 0.00  5.82 
assign (resid  9  and name HB1 ) (resid 9 and name HG2 ) 1.80 0.00  2.96 
assign (resid  9  and name HB1 ) (resid 9 and name HD2 ) 1.80 0.00  3.70 
assign (resid  9  and name HB1 ) (resid 22 and name HB2 ) 1.80 0.00  3.70 
assign (resid  9  and name HB1 ) (resid 22 and name HB1 ) 1.80 0.00  2.65 
assign (resid  9  and name HB1 ) (resid 33 and name HD# ) 1.80 0.00  5.82 
assign (resid  9  and name HB1 ) (resid 33 and name HE# ) 1.80 0.00  5.82 
assign (resid  9  and name HG2 ) (resid 9 and name HG1 ) 1.80 0.00  0.63 
assign (resid  9  and name HG2 ) (resid 9 and name HD2 ) 1.80 0.00  1.68 
assign (resid  9  and name HG1 ) (resid 9 and name HD2 ) 1.80 0.00  1.28 
assign (resid  9  and name HG1 ) (resid 9 and name HD1 ) 1.80 0.00  1.65 
assign (resid  9  and name HG1 ) (resid 22 and name HE# ) 1.80 0.00  5.05 
assign (resid  9  and name HG1 ) (resid 22 and name HZ ) 1.80 0.00  3.70 
assign (resid  9  and name HD2 ) (resid 9 and name HD1 ) 1.80 0.00  0.60 
assign (resid  9  and name HD2 ) (resid 22 and name HD# ) 1.80 0.00  5.82 
assign (resid  9  and name HD2 ) (resid 22 and name HE# ) 1.80 0.00  5.82 
assign (resid  9  and name HD1 ) (resid 22 and name HD# ) 1.80 0.00  5.36 
assign (resid  9  and name HD1 ) (resid 22 and name HE# ) 1.80 0.00  4.71 
assign (resid  10  and name HN ) (resid 10 and name HA ) 1.80 0.00  2.09 
assign (resid  10  and name HN ) (resid 10 and name HB# ) 1.80 0.00  2.38 
assign (resid  10  and name HA ) (resid 10 and name HB# ) 1.80 0.00  2.22 
assign (resid  10  and name HA ) (resid 10 and name HD# ) 1.80 0.00  3.61 
assign (resid  10  and name HA ) (resid 10 and name HE# ) 1.80 0.00  5.83 
assign (resid  10  and name HA ) (resid 11 and name HN ) 1.80 0.00  0.72 
assign (resid  10  and name HB# ) (resid 10 and name HD# ) 1.80 0.00  4.27 
assign (resid  10  and name HB# ) (resid 11 and name HN ) 1.80 0.00  3.86 
assign (resid  10  and name HB# ) (resid 41 and name HN ) 1.80 0.00  4.58 
assign (resid  10  and name HB# ) (resid 41 and name HB2 ) 1.80 0.00  4.58 
assign (resid  10  and name HB# ) (resid 41 and name HB1 ) 1.80 0.00  4.58 
assign (resid  10  and name HB# ) (resid 41 and name HG# ) 1.80 0.00  5.45 
assign (resid  10  and name HB# ) (resid 41 and name HD# ) 1.80 0.00  4.58 
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assign (resid  10  and name HB# ) (resid 41 and name HE# ) 1.80 0.00  5.45 
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assign (resid  10  and name HD# ) (resid 41 and name HD# ) 1.80 0.00  5.84 
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assign (resid  10  and name HE# ) (resid 12 and name HA1 ) 1.80 0.00  4.44 
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assign (resid  11  and name HN ) (resid 11 and name HA ) 1.80 0.00  1.75 
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assign (resid  11  and name HN ) (resid 11 and name HG2# ) 1.80 0.00  3.92 
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assign (resid  11  and name HA ) (resid 12 and name HN ) 1.80 0.00  2.71 
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assign (resid  11  and name HG2# ) (resid 35 and name HA ) 1.80 0.00  4.73 
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assign (resid  13  and name HA ) (resid 13 and name HD# ) 1.80 0.00  3.70 
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assign (resid  14  and name HB1 ) (resid 16 and name HG2# ) 1.80 0.00  4.73 
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assign (resid  15  and name HN ) (resid 16 and name HG2# ) 1.80 0.00  4.73 
assign (resid  15  and name HA ) (resid 15 and name HB# ) 1.80 0.00  1.28 
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assign (resid  15  and name HA ) (resid 15 and name HG# ) 1.80 0.00  1.90 
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assign (resid  15  and name HG# ) (resid 15 and name HD# ) 1.80 0.00  4.55 
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assign (resid  16  and name HG1# ) (resid 17 and name HN ) 1.80 0.00  2.93 
assign (resid  16  and name HG2# ) (resid 17 and name HN ) 1.80 0.00  4.73 
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assign (resid  17  and name HA ) (resid 17 and name HG# ) 1.80 0.00  2.49 
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assign (resid  17  and name HA ) (resid 18 and name HN ) 1.80 0.00  0.60 
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assign (resid  17  and name HB# ) (resid 17 and name HE ) 1.80 0.00  3.70 
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assign (resid  17  and name HG# ) (resid 17 and name HD# ) 1.80 0.00  3.70 
assign (resid  17  and name HG# ) (resid 17 and name HD# ) 1.80 0.00  3.70 
assign (resid  17  and name HG# ) (resid 17 and name HE ) 1.80 0.00  3.70 
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assign (resid  18  and name HB ) (resid 35 and name HD1 ) 1.80 0.00  3.70 
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assign (resid  18  and name HD1# ) (resid 35 and name HD1 ) 1.80 0.00  4.73 
assign (resid  18  and name HD1# ) (resid 35 and name HE1 ) 1.80 0.00  4.73 
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assign (resid  18  and name HD1# ) (resid 37 and name HA1 ) 1.80 0.00  2.68 
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assign (resid  19  and name HN ) (resid 19 and name HD1# ) 1.80 0.00  4.73 
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assign (resid  20  and name HG# ) (resid 20 and name HE ) 1.80 0.00  3.70 
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assign (resid  23  and name HB1 ) (resid 23 and name HE# ) 1.80 0.00  5.83 
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assign (resid  23  and name HB1 ) (resid 55 and name HB# ) 1.80 0.00  3.70 
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assign (resid  23  and name HD# ) (resid 23 and name HE# ) 1.80 0.00  5.46 
assign (resid  23  and name HD# ) (resid 25 and name HA ) 1.80 0.00  5.84 
assign (resid  23  and name HD# ) (resid 25 and name HB# ) 1.80 0.00  6.77 
assign (resid  23  and name HD# ) (resid 55 and name HB# ) 1.80 0.00  5.84 
assign (resid  23  and name HE# ) (resid 25 and name HN ) 1.80 0.00  5.83 
assign (resid  23  and name HE# ) (resid 25 and name HA ) 1.80 0.00  3.01 
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assign (resid  23  and name HE# ) (resid 28 and name HA1 ) 1.80 0.00  4.31 
assign (resid  23  and name HE# ) (resid 30 and name HN ) 1.80 0.00  5.83 
assign (resid  23  and name HE# ) (resid 52 and name HD2# ) 1.80 0.00  6.86 
assign (resid  23  and name HE# ) (resid 55 and name HB# ) 1.80 0.00  5.83 
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assign (resid  24  and name HN ) (resid 30 and name HA ) 1.80 0.00  1.22 
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assign (resid  24  and name HA ) (resid 25 and name HN ) 1.80 0.00  0.88 
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assign (resid  24  and name HB2 ) (resid 24 and name HB1 ) 1.80 0.00  0.60 
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assign (resid  24  and name HD21 ) (resid 31 and name HE2# ) 1.80 0.00  3.70 
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assign (resid  27  and name HB# ) (resid 29 and name HD2# ) 1.80 0.00  5.76 
assign (resid  27  and name HB# ) (resid 31 and name HE2# ) 1.80 0.00  4.73 
assign (resid  27  and name HB# ) (resid 31 and name HE2# ) 1.80 0.00  4.73 
assign (resid  28  and name HN ) (resid 28 and name HA1 ) 1.80 0.00  0.66 
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assign (resid  29  and name HA ) (resid 29 and name HD1# ) 1.80 0.00  4.73 
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assign (resid  29  and name HD2# ) (resid 30 and name HN ) 1.80 0.00  3.67 
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assign (resid  31  and name HA ) (resid 31 and name HG# ) 1.80 0.00  3.70 
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assign (resid  31  and name HG# ) (resid 31 and name HE2# ) 1.80 0.00  3.70 
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assign (resid  31  and name HE2# ) (resid 31 and name HE2# ) 1.80 0.00  0.60 
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assign (resid  42  and name HB2 ) (resid 42 and name HB1 ) 1.80 0.00  0.60 
assign (resid  42  and name HB2 ) (resid 42 and name HE ) 1.80 0.00  2.34 
assign (resid  42  and name HB2 ) (resid 43 and name HN ) 1.80 0.00  3.70 
assign (resid  42  and name HB1 ) (resid 42 and name HG# ) 1.80 0.00  2.43 
assign (resid  42  and name HB1 ) (resid 42 and name HG# ) 1.80 0.00  3.70 
assign (resid  42  and name HB1 ) (resid 42 and name HD# ) 1.80 0.00  4.58 
assign (resid  42  and name HB1 ) (resid 42 and name HE ) 1.80 0.00  3.70 
assign (resid  42  and name HB1 ) (resid 43 and name HN ) 1.80 0.00  3.39 
assign (resid  42  and name HD# ) (resid 42 and name HE ) 1.80 0.00  3.65 
assign (resid  43  and name HN ) (resid 43 and name HA ) 1.80 0.00  1.59 
assign (resid  43  and name HN ) (resid 43 and name HB2 ) 1.80 0.00  1.03 
assign (resid  43  and name HN ) (resid 43 and name HB1 ) 1.80 0.00  1.10 
assign (resid  43  and name HA ) (resid 43 and name HB2 ) 1.80 0.00  1.19 
assign (resid  43  and name HA ) (resid 43 and name HB1 ) 1.80 0.00  1.34 
assign (resid  43  and name HA ) (resid 44 and name HN ) 1.80 0.00  0.60 
assign (resid  43  and name HA ) (resid 45 and name HD# ) 1.80 0.00  5.54 
assign (resid  43  and name HA ) (resid 45 and name HZ ) 1.80 0.00  3.61 
assign (resid  43  and name HB2 ) (resid 43 and name HD21 ) 1.80 0.00  2.18 
assign (resid  43  and name HB2 ) (resid 43 and name HD22 ) 1.80 0.00  3.70 
assign (resid  43  and name HB1 ) (resid 43 and name HD21 ) 1.80 0.00  1.62 
assign (resid  43  and name HB1 ) (resid 43 and name HD22 ) 1.80 0.00  2.40 
assign (resid  44  and name HN ) (resid 44 and name HA ) 1.80 0.00  1.78 
assign (resid  44  and name HN ) (resid 44 and name HB# ) 1.80 0.00  1.37 
assign (resid  44  and name HN ) (resid 44 and name HD22 ) 1.80 0.00  3.70 
assign (resid  44  and name HA ) (resid 44 and name HB# ) 1.80 0.00  1.50 
assign (resid  44  and name HA ) (resid 44 and name HB# ) 1.80 0.00  1.93 
assign (resid  44  and name HA ) (resid 45 and name HN ) 1.80 0.00  0.69 
assign (resid  44  and name HB# ) (resid 44 and name HB# ) 1.80 0.00  0.60 
assign (resid  44  and name HB# ) (resid 44 and name HD21 ) 1.80 0.00  1.06 
assign (resid  44  and name HB# ) (resid 44 and name HD22 ) 1.80 0.00  2.96 
assign (resid  44  and name HD21 ) (resid 44 and name HD22 ) 1.80 0.00  0.60 
assign (resid  45  and name HN ) (resid 45 and name HA ) 1.80 0.00  1.41 
assign (resid  45  and name HN ) (resid 45 and name HB2 ) 1.80 0.00  0.91 
assign (resid  45  and name HN ) (resid 45 and name HB1 ) 1.80 0.00  2.18 
assign (resid  45  and name HN ) (resid 45 and name HD# ) 1.80 0.00  4.12 
assign (resid  45  and name HA ) (resid 45 and name HB2 ) 1.80 0.00  1.62 
assign (resid  45  and name HA ) (resid 45 and name HB1 ) 1.80 0.00  1.00 
assign (resid  45  and name HA ) (resid 45 and name HD# ) 1.80 0.00  4.55 
assign (resid  45  and name HA ) (resid 46 and name HN ) 1.80 0.00  0.82 
assign (resid  45  and name HA ) (resid 47 and name HN ) 1.80 0.00  2.55 
assign (resid  45  and name HB2 ) (resid 45 and name HD# ) 1.80 0.00  3.68 
assign (resid  45  and name HB2 ) (resid 46 and name HN ) 1.80 0.00  1.93 
assign (resid  45  and name HB2 ) (resid 47 and name HN ) 1.80 0.00  1.13 
assign (resid  45  and name HB1 ) (resid 45 and name HD# ) 1.80 0.00  4.33 
assign (resid  45  and name HB1 ) (resid 46 and name HN ) 1.80 0.00  1.56 
assign (resid  45  and name HB1 ) (resid 47 and name HN ) 1.80 0.00  0.94 
assign (resid  45  and name HB1 ) (resid 51 and name HN ) 1.80 0.00  1.99 
assign (resid  45  and name HD# ) (resid 45 and name HE# ) 1.80 0.00  7.85 
assign (resid  45  and name HD# ) (resid 45 and name HZ ) 1.80 0.00  3.93 
assign (resid  45  and name HD# ) (resid 50 and name HB# ) 1.80 0.00  5.82 
assign (resid  45  and name HZ ) (resid 51 and name HA ) 1.80 0.00  3.70 
assign (resid  45  and name HZ ) (resid 54 and name HB ) 1.80 0.00  2.24 
assign (resid  45  and name HZ ) (resid 54 and name HG2# ) 1.80 0.00  2.31 
assign (resid  46  and name HN ) (resid 46 and name HA ) 1.80 0.00  1.19 
assign (resid  46  and name HN ) (resid 46 and name HB# ) 1.80 0.00  0.94 
assign (resid  46  and name HN ) (resid 46 and name HB# ) 1.80 0.00  1.53 
assign (resid  46  and name HN ) (resid 46 and name HG# ) 1.80 0.00  3.27 
assign (resid  46  and name HN ) (resid 46 and name HG# ) 1.80 0.00  2.40 
assign (resid  46  and name HN ) (resid 47 and name HN ) 1.80 0.00  0.97 
assign (resid  46  and name HN ) (resid 50 and name HB# ) 1.80 0.00  3.11 
assign (resid  46  and name HA ) (resid 46 and name HB# ) 1.80 0.00  1.47 
assign (resid  46  and name HA ) (resid 46 and name HG# ) 1.80 0.00  3.42 
assign (resid  46  and name HA ) (resid 46 and name HE# ) 1.80 0.00  4.58 
assign (resid  46  and name HA ) (resid 47 and name HN ) 1.80 0.00  1.96 
assign (resid  46  and name HB# ) (resid 47 and name HN ) 1.80 0.00  2.21 
assign (resid  46  and name HB# ) (resid 47 and name HN ) 1.80 0.00  2.49 
assign (resid  46  and name HG# ) (resid 47 and name HN ) 1.80 0.00  3.30 
assign (resid  46  and name HE# ) (resid 46 and name HZ# ) 1.80 0.00  5.52 
assign (resid  47  and name HN ) (resid 47 and name HA ) 1.80 0.00  1.37 
assign (resid  47  and name HN ) (resid 47 and name HB2 ) 1.80 0.00  3.17 
assign (resid  47  and name HN ) (resid 47 and name HB1 ) 1.80 0.00  1.96 
assign (resid  47  and name HN ) (resid 50 and name HN ) 1.80 0.00  3.64 
assign (resid  47  and name HA ) (resid 47 and name HB2 ) 1.80 0.00  1.37 
assign (resid  47  and name HA ) (resid 47 and name HB1 ) 1.80 0.00  0.88 
assign (resid  47  and name HA ) (resid 48 and name HN ) 1.80 0.00  1.03 
assign (resid  47  and name HA ) (resid 48 and name HB# ) 1.80 0.00  4.73 
assign (resid  47  and name HA ) (resid 49 and name HN ) 1.80 0.00  3.20 
assign (resid  47  and name HB2 ) (resid 48 and name HN ) 1.80 0.00  1.47 
assign (resid  47  and name HB2 ) (resid 49 and name HN ) 1.80 0.00  1.84 
assign (resid  47  and name HB2 ) (resid 50 and name HN ) 1.80 0.00  1.90 
assign (resid  47  and name HB1 ) (resid 48 and name HN ) 1.80 0.00  1.50 
assign (resid  47  and name HB1 ) (resid 49 and name HN ) 1.80 0.00  2.03 
assign (resid  47  and name HB1 ) (resid 50 and name HN ) 1.80 0.00  3.24 
assign (resid  48  and name HN ) (resid 48 and name HA ) 1.80 0.00  1.53 
assign (resid  48  and name HN ) (resid 48 and name HB# ) 1.80 0.00  2.03 
assign (resid  48  and name HN ) (resid 49 and name HN ) 1.80 0.00  1.03 
assign (resid  48  and name HA ) (resid 48 and name HB# ) 1.80 0.00  1.66 
assign (resid  48  and name HA ) (resid 49 and name HN ) 1.80 0.00  3.20 
assign (resid  48  and name HA ) (resid 51 and name HN ) 1.80 0.00  1.68 
assign (resid  48  and name HA ) (resid 52 and name HN ) 1.80 0.00  2.99 
assign (resid  48  and name HB# ) (resid 49 and name HN ) 1.80 0.00  2.87 
assign (resid  48  and name HB# ) (resid 49 and name HA ) 1.80 0.00  4.73 
assign (resid  49  and name HN ) (resid 49 and name HA ) 1.80 0.00  1.31 
assign (resid  49  and name HN ) (resid 49 and name HB# ) 1.80 0.00  1.68 
assign (resid  49  and name HN ) (resid 49 and name HB# ) 1.80 0.00  1.10 
assign (resid  49  and name HN ) (resid 49 and name HG# ) 1.80 0.00  3.70 
assign (resid  49  and name HN ) (resid 49 and name HG# ) 1.80 0.00  3.70 
assign (resid  49  and name HN ) (resid 50 and name HN ) 1.80 0.00  1.31 
assign (resid  49  and name HA ) (resid 49 and name HB# ) 1.80 0.00  1.50 
assign (resid  49  and name HA ) (resid 49 and name HB# ) 1.80 0.00  1.44 
assign (resid  49  and name HA ) (resid 50 and name HN ) 1.80 0.00  2.24 
assign (resid  49  and name HA ) (resid 52 and name HN ) 1.80 0.00  1.75 
assign (resid  49  and name HA ) (resid 52 and name HB# ) 1.80 0.00  1.72 
assign (resid  49  and name HA ) (resid 52 and name HG ) 1.80 0.00  2.62 
assign (resid  49  and name HA ) (resid 52 and name HD1# ) 1.80 0.00  3.89 
assign (resid  49  and name HB# ) (resid 50 and name HN ) 1.80 0.00  1.78 
assign (resid  49  and name HB# ) (resid 50 and name HN ) 1.80 0.00  2.03 
assign (resid  50  and name HN ) (resid 50 and name HA ) 1.80 0.00  1.28 
assign (resid  50  and name HN ) (resid 50 and name HB# ) 1.80 0.00  0.94 
assign (resid  50  and name HN ) (resid 50 and name HB# ) 1.80 0.00  2.31 
assign (resid  50  and name HN ) (resid 51 and name HN ) 1.80 0.00  0.85 
assign (resid  50  and name HA ) (resid 50 and name HB# ) 1.80 0.00  1.47 
assign (resid  50  and name HA ) (resid 51 and name HN ) 1.80 0.00  1.99 
assign (resid  50  and name HA ) (resid 53 and name HN ) 1.80 0.00  1.81 
assign (resid  50  and name HA ) (resid 53 and name HG# ) 1.80 0.00  3.70 
assign (resid  50  and name HA ) (resid 54 and name HN ) 1.80 0.00  3.17 
assign (resid  51  and name HN ) (resid 51 and name HA ) 1.80 0.00  1.56 
assign (resid  51  and name HN ) (resid 51 and name HB2 ) 1.80 0.00  0.85 
assign (resid  51  and name HN ) (resid 51 and name HB1 ) 1.80 0.00  1.03 
assign (resid  51  and name HN ) (resid 52 and name HN ) 1.80 0.00  1.19 
assign (resid  51  and name HN ) (resid 52 and name HG ) 1.80 0.00  3.70 
assign (resid  51  and name HN ) (resid 53 and name HN ) 1.80 0.00  2.34 
assign (resid  51  and name HA ) (resid 51 and name HB2 ) 1.80 0.00  0.97 
assign (resid  51  and name HA ) (resid 51 and name HB1 ) 1.80 0.00  3.08 
assign (resid  51  and name HA ) (resid 52 and name HN ) 1.80 0.00  2.58 
assign (resid  51  and name HA ) (resid 54 and name HN ) 1.80 0.00  1.50 
assign (resid  51  and name HA ) (resid 55 and name HN ) 1.80 0.00  2.03 
assign (resid  51  and name HB2 ) (resid 51 and name HB1 ) 1.80 0.00  0.60 
assign (resid  51  and name HB2 ) (resid 52 and name HN ) 1.80 0.00  1.34 
assign (resid  51  and name HB1 ) (resid 52 and name HN ) 1.80 0.00  1.03 
assign (resid  52  and name HN ) (resid 52 and name HA ) 1.80 0.00  1.47 
assign (resid  52  and name HN ) (resid 52 and name HB# ) 1.80 0.00  1.56 
assign (resid  52  and name HN ) (resid 52 and name HG ) 1.80 0.00  0.97 
assign (resid  52  and name HN ) (resid 52 and name HD1# ) 1.80 0.00  4.73 
assign (resid  52  and name HN ) (resid 52 and name HD2# ) 1.80 0.00  4.60 
assign (resid  52  and name HN ) (resid 53 and name HN ) 1.80 0.00  1.31 
assign (resid  52  and name HA ) (resid 52 and name HB# ) 1.80 0.00  1.37 
assign (resid  52  and name HA ) (resid 52 and name HB# ) 1.80 0.00  1.28 
assign (resid  52  and name HA ) (resid 52 and name HD1# ) 1.80 0.00  4.08 
assign (resid  52  and name HA ) (resid 52 and name HD2# ) 1.80 0.00  2.53 
assign (resid  52  and name HA ) (resid 53 and name HN ) 1.80 0.00  2.52 
assign (resid  52  and name HA ) (resid 55 and name HN ) 1.80 0.00  1.78 
assign (resid  52  and name HA ) (resid 56 and name HN ) 1.80 0.00  1.34 
assign (resid  52  and name HB# ) (resid 52 and name HD1# ) 1.80 0.00  3.77 
assign (resid  52  and name HB# ) (resid 52 and name HD2# ) 1.80 0.00  2.81 
assign (resid  52  and name HB# ) (resid 53 and name HN ) 1.80 0.00  2.09 
assign (resid  52  and name HD1# ) (resid 56 and name HA# ) 1.80 0.00  4.73 
assign (resid  52  and name HD2# ) (resid 56 and name HA# ) 1.80 0.00  4.73 
assign (resid  53  and name HN ) (resid 53 and name HA ) 1.80 0.00  1.50 
assign (resid  53  and name HN ) (resid 53 and name HB# ) 1.80 0.00  1.68 
assign (resid  53  and name HN ) (resid 53 and name HB# ) 1.80 0.00  1.65 
assign (resid  53  and name HN ) (resid 54 and name HN ) 1.80 0.00  1.03 
assign (resid  53  and name HA ) (resid 53 and name HB# ) 1.80 0.00  1.50 
assign (resid  53  and name HA ) (resid 53 and name HB# ) 1.80 0.00  1.68 
assign (resid  53  and name HA ) (resid 56 and name HN ) 1.80 0.00  2.43 
assign (resid  53  and name HB# ) (resid 53 and name HD# ) 1.80 0.00  4.58 
assign (resid  53  and name HB# ) (resid 54 and name HN ) 1.80 0.00  1.47 
assign (resid  53  and name HB# ) (resid 53 and name HD# ) 1.80 0.00  4.58 
assign (resid  53  and name HB# ) (resid 54 and name HN ) 1.80 0.00  1.65 
assign (resid  53  and name HG# ) (resid 53 and name HD# ) 1.80 0.00  4.05 
assign (resid  53  and name HG# ) (resid 53 and name HD# ) 1.80 0.00  4.58 
assign (resid  53  and name HD# ) (resid 53 and name HE ) 1.80 0.00  4.58 
assign (resid  54  and name HN ) (resid 54 and name HA ) 1.80 0.00  1.34 
assign (resid  54  and name HN ) (resid 54 and name HB ) 1.80 0.00  0.97 
assign (resid  54  and name HN ) (resid 55 and name HN ) 1.80 0.00  0.85 
assign (resid  54  and name HN ) (resid 56 and name HN ) 1.80 0.00  2.96 
assign (resid  54  and name HA ) (resid 54 and name HG2# ) 1.80 0.00  2.22 
assign (resid  54  and name HA ) (resid 55 and name HN ) 1.80 0.00  2.89 
assign (resid  54  and name HB ) (resid 54 and name HG2# ) 1.80 0.00  1.66 
assign (resid  54  and name HB ) (resid 55 and name HN ) 1.80 0.00  0.91 
assign (resid  54  and name HG2# ) (resid 55 and name HN ) 1.80 0.00  3.83 
assign (resid  55  and name HN ) (resid 55 and name HA ) 1.80 0.00  1.62 
assign (resid  55  and name HN ) (resid 55 and name HB# ) 1.80 0.00  1.00 
assign (resid  55  and name HN ) (resid 55 and name HB# ) 1.80 0.00  0.82 
assign (resid  55  and name HN ) (resid 56 and name HN ) 1.80 0.00  0.79 
assign (resid  55  and name HA ) (resid 55 and name HB# ) 1.80 0.00  1.62 
assign (resid  55  and name HA ) (resid 56 and name HN ) 1.80 0.00  2.62 
assign (resid  55  and name HB# ) (resid 56 and name HN ) 1.80 0.00  3.70 
assign (resid  55  and name HB# ) (resid 56 and name HN ) 1.80 0.00  2.92 
assign (resid  56  and name HN ) (resid 56 and name HA# ) 1.80 0.00  0.85 
assign (resid  56  and name HN ) (resid 57 and name HN ) 1.80 0.00  1.84 
assign (resid  56  and name HA# ) (resid 57 and name HN ) 1.80 0.00  1.56 
assign (resid  56  and name HA# ) (resid 57 and name HN ) 1.80 0.00  1.31 
assign (resid  57  and name HN ) (resid 57 and name HA# ) 1.80 0.00  1.19 
assign (resid  57  and name HN ) (resid 57 and name HA# ) 1.80 0.00  1.13 
assign (resid  57  and name HA# ) (resid 58 and name HN ) 1.80 0.00  0.91 
assign (resid  57  and name HA# ) (resid 58 and name HN ) 1.80 0.00  1.16 
assign (resid  58  and name HN ) (resid 58 and name HA ) 1.80 0.00  1.84 
assign (resid  58  and name HN ) (resid 58 and name HB# ) 1.80 0.00  2.22 



!!Phe-4    +60
assign (resid 4 and name n)  (resid 4 and name ca)
       (resid 4 and name cb) (resid 4 and name cg) 1.0  60.0 45.0 2
!!Cys-14   -60
assign (resid 14 and name n)  (resid 14 and name ca)
       (resid 14 and name cb) (resid 14 and name sg) 1.0 -60.0 45.0 2
!!Arg-20   -60
assign (resid 20 and name n)  (resid 20 and name ca)
       (resid 20 and name cb) (resid 20 and name cg) 1.0 -60.0 45.0 2
!!Phe-22   +60
assign (resid 22 and name n)  (resid 22 and name ca)
       (resid 22 and name cb) (resid 22 and name cg) 1.0  60.0 45.0 2
!!Tyr-23   +180
assign (resid 23 and name n)  (resid 23 and name ca)
       (resid 23 and name cb) (resid 23 and name cg) 1.0 180.0 45.0 2
!!Asn-24   +180
assign (resid 24 and name n)  (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name cg) 1.0 180.0 45.0 2
!!Cys-30   -60
assign (resid 30 and name n)  (resid 30 and name ca)
       (resid 30 and name cb) (resid 30 and name sg) 1.0 -60.0 45.0 2
!!Gln-31   -60
assign (resid 31 and name n)  (resid 31 and name ca)
       (resid 31 and name cb) (resid 31 and name cg) 1.0 -60.0 45.0 2
!!Phe-33   +60
assign (resid 33 and name n)  (resid 33 and name ca)
       (resid 33 and name cb) (resid 33 and name cg) 1.0  60.0 45.0 2
!!Tyr-35   +180
assign (resid 35 and name n)  (resid 35 and name ca)
       (resid 35 and name cb) (resid 35 and name cg) 1.0 180.0 45.0 2
!!Lys-41   -60
assign (resid 41 and name n)  (resid 41 and name ca)
       (resid 41 and name cb) (resid 41 and name cg) 1.0 -60.0 45.0 2
!!Asn-43   +180
assign (resid 43 and name n)  (resid 43 and name ca)
       (resid 43 and name cb) (resid 43 and name cg) 1.0 180.0 45.0 2
!!Phe-45   -60
assign (resid 45 and name n)  (resid 45 and name ca)
       (resid 45 and name cb) (resid 45 and name cg) 1.0 -60.0 45.0 2
!!Ser-47   +60
assign (resid 47 and name n)  (resid 47 and name ca)
       (resid 47 and name cb) (resid 47 and name og) 1.0  60.0 45.0 2
!!Cys-51   +180
assign (resid 51 and name n)  (resid 51 and name ca)
       (resid 51 and name cb) (resid 51 and name sg) 1.0 180.0 45.0 2


assign (resid   5  and name  N  ) (resid  2  and name  O  )  2.70  0.00 0.4
assign (resid   5  and name  HN  ) (resid  2  and name  O  )  1.80  0.00 0.3
assign (resid   6  and name  N  ) (resid  3  and name  O  )  2.70  0.00 0.4
assign (resid   6  and name  HN  ) (resid  3  and name  O  )  1.80  0.00 0.3
assign (resid   7  and name  N  ) (resid  4  and name  O  )  2.70  0.00 0.4
assign (resid   7  and name  HN  ) (resid  4  and name  O  )  1.80  0.00 0.3
assign (resid   18  and name  N  ) (resid  35  and name  O  )  2.70  0.00 0.4
assign (resid   18  and name  HN  ) (resid  35  and name  O  )  1.80  0.00 0.3
assign (resid   20  and name  N  ) (resid  33  and name  O  )  2.70  0.00 0.4
assign (resid   20  and name  HN  ) (resid  33  and name  O  )  1.80  0.00 0.3
assign (resid   21  and name  N  ) (resid  45  and name  O  )  2.70  0.00 0.4
assign (resid   21  and name  HN  ) (resid  45  and name  O  )  1.80  0.00 0.3
assign (resid   22  and name  N  ) (resid  31  and name  O  )  2.70  0.00 0.4
assign (resid   22  and name  HN  ) (resid  31  and name  O  )  1.80  0.00 0.3
assign (resid   24  and name  N  ) (resid  29  and name  O  )  2.70  0.00 0.4
assign (resid   24  and name  HN  ) (resid  29  and name  O  )  1.80  0.00 0.3
assign (resid   31  and name  N  ) (resid  22  and name  O  )  2.70  0.00 0.4
assign (resid   31  and name  HN  ) (resid  22  and name  O  )  1.80  0.00 0.3
assign (resid   33  and name  N  ) (resid  20  and name  O  )  2.70  0.00 0.4
assign (resid   33  and name  HN  ) (resid  20  and name  O  )  1.80  0.00 0.3
assign (resid   35  and name  N  ) (resid  18  and name  O  )  2.70  0.00 0.4
assign (resid   35  and name  HN  ) (resid  18  and name  O  )  1.80  0.00 0.3
assign (resid   45  and name  N  ) (resid  21  and name  O  )  2.70  0.00 0.4
assign (resid   45  and name  HN  ) (resid  21  and name  O  )  1.80  0.00 0.3
assign (resid   51  and name  N  ) (resid  47  and name  O  )  2.70  0.00 0.4
assign (resid   51  and name  HN  ) (resid  47  and name  O  )  1.80  0.00 0.3
assign (resid   52  and name  N  ) (resid  48  and name  O  )  2.70  0.00 0.4
assign (resid   52  and name  HN  ) (resid  48  and name  O  )  1.80  0.00 0.3
assign (resid   53  and name  N  ) (resid  49  and name  O  )  2.70  0.00 0.4
assign (resid   53  and name  HN  ) (resid  49  and name  O  )  1.80  0.00 0.3
assign (resid   54  and name  N  ) (resid  50  and name  O  )  2.70  0.00 0.4
assign (resid   54  and name  HN  ) (resid  50  and name  O  )  1.80  0.00 0.3
assign (resid   56  and name  N  ) (resid  52  and name  O  )  2.70  0.00 0.4
assign (resid   56  and name  HN  ) (resid  52  and name  O  )  1.80  0.00 0.3
assign (resid   23  and name  N  ) (resid  43  and name  OD1  )  2.70  0.00 0.6
assign (resid   23  and name  HN  ) (resid  43  and name  OD1  )  1.80  0.00 0.5
assign (resid   26  and name  N  ) (resid  24  and name  OD1  )  2.70  0.00 0.6
assign (resid   26  and name  HN  ) (resid  24  and name  OD1  )  1.80  0.00 0.5
assign (resid   27  and name  N  ) (resid  24  and name  OD1  )  2.70  0.00 0.6
assign (resid   27  and name  HN  ) (resid  24  and name  OD1  )  1.80  0.00 0.5
assign (resid   28  and name  N  ) (resid  24  and name  O  )  2.70  0.00 0.6
assign (resid   28  and name  HN  ) (resid  24  and name  O  )  1.80  0.00 0.5
assign (resid   36  and name  N  ) (resid  11  and name  O  )  2.70  0.00 0.6
assign (resid   36  and name  HN  ) (resid  11  and name  O  )  1.80  0.00 0.5
assign (resid   43  and name  N  ) (resid  7  and name  OE1  )  2.70  0.00 0.6
assign (resid   43  and name  HN  ) (resid  7  and name  OE1  )  1.80  0.00 0.5
assign (resid   44  and name  N  ) (resid  42  and name  O  )  2.70  0.00 0.6
assign (resid   44  and name  HN  ) (resid  42  and name  O  )  1.80  0.00 0.5



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1HT       ARG   1  -4.178 -14.453   0.289
    2   2H    ARG   1          2HT       ARG   1  -5.683 -15.037  -0.290
    3   3H    ARG   1          3HT       ARG   1  -5.637 -13.927   1.018
    4    HA   ARG   1           HA       ARG   1  -4.491 -12.381  -0.564
    5   1HB   ARG   1          2HB       ARG   1  -4.021 -14.141  -2.233
    6   2HB   ARG   1          1HB       ARG   1  -5.749 -14.352  -2.485
    7   1HG   ARG   1          2HG       ARG   1  -5.794 -11.899  -3.147
    8   2HG   ARG   1          1HG       ARG   1  -4.033 -12.004  -3.216
    9   1HD   ARG   1          2HD       ARG   1  -4.997 -12.356  -5.419
   10   2HD   ARG   1          1HD       ARG   1  -4.211 -13.824  -4.844
   11    HE   ARG   1           HE       ARG   1  -7.131 -13.406  -4.768
   12   1HH1  ARG   1          1HH1      ARG   1  -4.353 -15.468  -5.311
   13   2HH1  ARG   1          2HH1      ARG   1  -5.312 -16.856  -5.686
   14   1HH2  ARG   1          1HH2      ARG   1  -8.375 -15.246  -5.259
   15   2HH2  ARG   1          2HH2      ARG   1  -7.584 -16.734  -5.657
   16    HA   PRO   2           HA       PRO   2  -8.905 -11.450   0.448
   17   1HB   PRO   2          2HB       PRO   2  -7.763  -8.866   1.245
   18   2HB   PRO   2          1HB       PRO   2  -8.765  -9.984   2.178
   19   1HG   PRO   2          2HG       PRO   2  -6.148  -9.610   2.705
   20   2HG   PRO   2          1HG       PRO   2  -6.952 -11.175   2.942
   21   1HD   PRO   2          2HD       PRO   2  -5.160 -10.282   0.717
   22   2HD   PRO   2          1HD       PRO   2  -5.255 -11.860   1.529
   23    H    ASP   3           H        ASP   3 -10.344  -9.953  -0.524
   24    HA   ASP   3           HA       ASP   3  -9.914  -9.343  -3.172
   25   1HB   ASP   3          2HB       ASP   3 -11.805  -8.139  -1.156
   26   2HB   ASP   3          1HB       ASP   3 -11.825  -7.668  -2.854
   27    H    PHE   4           H        PHE   4  -9.882  -6.974  -0.499
   28    HA   PHE   4           HA       PHE   4  -9.135  -4.760  -1.926
   29   1HB   PHE   4          2HB       PHE   4  -8.467  -3.809   0.167
   30   2HB   PHE   4          1HB       PHE   4  -9.881  -4.809   0.435
   31    HD1  PHE   4           1HD      PHE   4  -6.204  -4.685   0.812
   32    HD2  PHE   4           2HD      PHE   4  -9.833  -6.594   1.946
   33    HE1  PHE   4           1HE      PHE   4  -5.013  -5.890   2.594
   34    HE2  PHE   4           2HE      PHE   4  -8.648  -7.799   3.727
   35    HZ   PHE   4           HZ       PHE   4  -6.236  -7.451   4.052
   36    H    CYS   5           H        CYS   5  -7.135  -7.475  -1.025
   37    HA   CYS   5           HA       CYS   5  -4.614  -6.260  -1.083
   38   1HB   CYS   5          2HB       CYS   5  -4.851  -8.558  -0.345
   39   2HB   CYS   5          1HB       CYS   5  -5.417  -9.050  -1.940
   40    H    LEU   6           H        LEU   6  -6.833  -7.041  -3.620
   41    HA   LEU   6           HA       LEU   6  -4.861  -6.588  -5.715
   42   1HB   LEU   6          2HB       LEU   6  -7.793  -6.959  -6.201
   43   2HB   LEU   6          1HB       LEU   6  -6.442  -7.393  -7.229
   44    HG   LEU   6           HG       LEU   6  -6.811  -8.804  -4.616
   45   1HD1  LEU   6          1HD1      LEU   6  -8.875  -9.399  -5.263
   46   2HD1  LEU   6          2HD1      LEU   6  -8.018 -10.486  -6.355
   47   3HD1  LEU   6          3HD1      LEU   6  -8.600  -8.928  -6.941
   48   1HD2  LEU   6          1HD2      LEU   6  -5.873 -10.672  -6.053
   49   2HD2  LEU   6          2HD2      LEU   6  -4.788  -9.325  -5.714
   50   3HD2  LEU   6          3HD2      LEU   6  -5.581  -9.446  -7.285
   51    H    GLU   7           H        GLU   7  -5.927  -4.471  -3.780
   52    HA   GLU   7           HA       GLU   7  -7.174  -2.623  -5.671
   53   1HB   GLU   7          2HB       GLU   7  -8.045  -3.002  -3.295
   54   2HB   GLU   7          1HB       GLU   7  -6.633  -2.110  -2.752
   55   1HG   GLU   7          2HG       GLU   7  -7.474  -0.294  -4.412
   56   2HG   GLU   7          1HG       GLU   7  -9.012  -1.145  -4.268
   57    HA   PRO   8           HA       PRO   8  -3.171  -0.825  -6.532
   58   1HB   PRO   8          2HB       PRO   8  -4.795   1.510  -7.361
   59   2HB   PRO   8          1HB       PRO   8  -3.591   0.597  -8.275
   60   1HG   PRO   8          2HG       PRO   8  -6.201   0.357  -8.789
   61   2HG   PRO   8          1HG       PRO   8  -5.105  -1.033  -8.896
   62   1HD   PRO   8          2HD       PRO   8  -7.068  -0.319  -6.760
   63   2HD   PRO   8          1HD       PRO   8  -6.633  -1.915  -7.411
   64    HA   PRO   9           HA       PRO   9  -2.405   1.854  -3.081
   65   1HB   PRO   9          2HB       PRO   9  -0.232   3.214  -3.961
   66   2HB   PRO   9          1HB       PRO   9  -0.154   1.515  -3.488
   67   1HG   PRO   9          2HG       PRO   9  -0.359   2.711  -6.226
   68   2HG   PRO   9          1HG       PRO   9   0.667   1.378  -5.660
   69   1HD   PRO   9          2HD       PRO   9  -1.640   0.967  -7.018
   70   2HD   PRO   9          1HD       PRO   9  -1.047  -0.160  -5.773
   71    H    TYR  10           H        TYR  10  -2.627   4.031  -2.394
   72    HA   TYR  10           HA       TYR  10  -3.440   5.953  -4.478
   73   1HB   TYR  10          2HB       TYR  10  -5.328   4.779  -3.039
   74   2HB   TYR  10          1HB       TYR  10  -4.864   5.995  -1.852
   75    HD1  TYR  10           1HD      TYR  10  -6.026   7.984  -1.888
   76    HD2  TYR  10           2HD      TYR  10  -5.611   5.794  -5.513
   77    HE1  TYR  10           1HE      TYR  10  -7.384   9.672  -3.057
   78    HE2  TYR  10           2HE      TYR  10  -6.968   7.472  -6.691
   79    HH   TYR  10           HH       TYR  10  -8.948   9.387  -5.519
   80    H    THR  11           H        THR  11  -2.026   7.524  -4.441
   81    HA   THR  11           HA       THR  11  -0.633   8.255  -1.992
   82    HB   THR  11           HB       THR  11  -0.323   9.375  -4.788
   83    HG1  THR  11           1HG      THR  11   0.079   7.144  -4.753
   84   1HG2  THR  11          1HG2      THR  11   0.692  10.662  -2.853
   85   2HG2  THR  11          2HG2      THR  11   1.781  10.174  -4.152
   86   3HG2  THR  11          3HG2      THR  11   1.752   9.273  -2.639
   87    H    GLY  12           H        GLY  12  -3.377   9.317  -3.739
   88   1HA   GLY  12          2HA       GLY  12  -4.759  11.099  -3.542
   89   2HA   GLY  12          1HA       GLY  12  -4.052  11.280  -1.949
   90    HA   PRO  13           HA       PRO  13  -2.567  14.719  -4.808
   91   1HB   PRO  13          2HB       PRO  13  -4.436  16.610  -4.656
   92   2HB   PRO  13          1HB       PRO  13  -4.631  15.223  -5.735
   93   1HG   PRO  13          2HG       PRO  13  -5.880  15.749  -3.076
   94   2HG   PRO  13          1HG       PRO  13  -6.584  14.998  -4.517
   95   1HD   PRO  13          2HD       PRO  13  -5.557  13.642  -2.299
   96   2HD   PRO  13          1HD       PRO  13  -5.878  12.929  -3.894
   97    H    CYS  14           H        CYS  14  -2.632  14.174  -1.706
   98    HA   CYS  14           HA       CYS  14  -2.498  16.822  -0.592
   99   1HB   CYS  14          2HB       CYS  14  -2.115  14.056   0.438
  100   2HB   CYS  14          1HB       CYS  14  -1.396  15.383   1.343
  101    H    ARG  15           H        ARG  15  -0.511  17.258   0.845
  102    HA   ARG  15           HA       ARG  15   1.883  17.003  -0.859
  103   1HB   ARG  15          2HB       ARG  15   0.718  19.314  -0.349
  104   2HB   ARG  15          1HB       ARG  15   1.599  19.185   1.167
  105   1HG   ARG  15          2HG       ARG  15   3.029  18.836  -1.433
  106   2HG   ARG  15          1HG       ARG  15   2.657  20.449  -0.823
  107   1HD   ARG  15          2HD       ARG  15   4.165  20.307   0.853
  108   2HD   ARG  15          1HD       ARG  15   3.863  18.596   1.120
  109    HE   ARG  15           HE       ARG  15   5.457  18.067  -0.497
  110   1HH1  ARG  15          1HH1      ARG  15   5.075  21.532  -0.196
  111   2HH1  ARG  15          2HH1      ARG  15   6.553  21.884  -1.024
  112   1HH2  ARG  15          1HH2      ARG  15   7.395  18.543  -1.583
  113   2HH2  ARG  15          2HH2      ARG  15   7.865  20.194  -1.811
  114    H    VAL  16           H        VAL  16   2.311  14.981   0.264
  115    HA   VAL  16           HA       VAL  16   3.863  15.458   2.689
  116    HB   VAL  16           HB       VAL  16   2.091  13.031   2.616
  117   1HG1  VAL  16          1HG1      VAL  16   2.388  13.796   5.214
  118   2HG1  VAL  16          2HG1      VAL  16   3.917  14.316   4.506
  119   3HG1  VAL  16          3HG1      VAL  16   3.415  12.631   4.377
  120   1HG2  VAL  16          1HG2      VAL  16   1.319  15.637   3.930
  121   2HG2  VAL  16          2HG2      VAL  16   0.392  14.133   3.912
  122   3HG2  VAL  16          3HG2      VAL  16   0.625  15.041   2.420
  123    H    ARG  17           H        ARG  17   4.946  13.170   3.264
  124    HA   ARG  17           HA       ARG  17   5.729  11.760   0.824
  125   1HB   ARG  17          2HB       ARG  17   7.328  13.684   1.325
  126   2HB   ARG  17          1HB       ARG  17   7.786  12.800   2.774
  127   1HG   ARG  17          2HG       ARG  17   8.042  10.892   0.835
  128   2HG   ARG  17          1HG       ARG  17   8.532  12.362  -0.013
  129   1HD   ARG  17          2HD       ARG  17   9.638  12.061   2.694
  130   2HD   ARG  17          1HD       ARG  17  10.169  10.844   1.537
  131    HE   ARG  17           HE       ARG  17  11.227  12.508   0.284
  132   1HH1  ARG  17          1HH1      ARG  17   9.591  13.862   3.062
  133   2HH1  ARG  17          2HH1      ARG  17  10.428  15.373   2.969
  134   1HH2  ARG  17          1HH2      ARG  17  12.317  14.499   0.165
  135   2HH2  ARG  17          2HH2      ARG  17  11.973  15.737   1.327
  136    H    ILE  18           H        ILE  18   4.475  10.053   1.757
  137    HA   ILE  18           HA       ILE  18   5.690   8.808   4.135
  138    HB   ILE  18           HB       ILE  18   2.885   8.555   3.040
  139   1HG1  ILE  18          2HG1      ILE  18   4.022   9.874   5.508
  140   2HG1  ILE  18          1HG1      ILE  18   3.128  10.634   4.198
  141   1HG2  ILE  18          1HG2      ILE  18   2.358   7.010   4.699
  142   2HG2  ILE  18          2HG2      ILE  18   3.834   7.341   5.608
  143   3HG2  ILE  18          3HG2      ILE  18   3.914   6.460   4.085
  144   1HD1  ILE  18          1HD1      ILE  18   1.456  10.506   5.701
  145   2HD1  ILE  18          2HD1      ILE  18   2.156   9.115   6.529
  146   3HD1  ILE  18          3HD1      ILE  18   1.281   8.891   5.014
  147    H    ILE  19           H        ILE  19   6.328   6.687   4.059
  148    HA   ILE  19           HA       ILE  19   6.418   5.495   1.385
  149    HB   ILE  19           HB       ILE  19   7.971   4.838   3.896
  150   1HG1  ILE  19          2HG1      ILE  19   9.852   5.593   2.172
  151   2HG1  ILE  19          1HG1      ILE  19   8.510   6.508   1.492
  152   1HG2  ILE  19          1HG2      ILE  19   9.021   3.777   1.401
  153   2HG2  ILE  19          2HG2      ILE  19   7.432   3.122   1.797
  154   3HG2  ILE  19          3HG2      ILE  19   8.759   2.975   2.949
  155   1HD1  ILE  19          1HD1      ILE  19   9.860   6.799   4.127
  156   2HD1  ILE  19          2HD1      ILE  19   8.173   7.287   3.958
  157   3HD1  ILE  19          3HD1      ILE  19   9.410   8.028   2.945
  158    H    ARG  20           H        ARG  20   4.286   4.690   1.338
  159    HA   ARG  20           HA       ARG  20   3.529   2.753   3.389
  160   1HB   ARG  20          2HB       ARG  20   2.035   4.009   1.097
  161   2HB   ARG  20          1HB       ARG  20   1.364   2.687   2.037
  162   1HG   ARG  20          2HG       ARG  20   2.171   5.392   3.080
  163   2HG   ARG  20          1HG       ARG  20   0.524   4.810   2.826
  164   1HD   ARG  20          2HD       ARG  20   0.514   3.918   4.856
  165   2HD   ARG  20          1HD       ARG  20   1.898   2.917   4.433
  166    HE   ARG  20           HE       ARG  20   3.284   4.884   5.120
  167   1HH1  ARG  20          1HH1      ARG  20   0.108   4.353   6.495
  168   2HH1  ARG  20          2HH1      ARG  20   0.468   5.217   7.949
  169   1HH2  ARG  20          1HH2      ARG  20   3.743   6.004   7.033
  170   2HH2  ARG  20          2HH2      ARG  20   2.528   6.154   8.257
  171    H    TYR  21           H        TYR  21   2.421   0.712   2.547
  172    HA   TYR  21           HA       TYR  21   4.024  -0.419   0.343
  173   1HB   TYR  21          2HB       TYR  21   3.206  -1.562   2.998
  174   2HB   TYR  21          1HB       TYR  21   3.623  -2.618   1.651
  175    HD1  TYR  21           1HD      TYR  21   4.901  -0.164   4.061
  176    HD2  TYR  21           2HD      TYR  21   5.911  -2.821   0.897
  177    HE1  TYR  21           1HE      TYR  21   7.278   0.054   4.646
  178    HE2  TYR  21           2HE      TYR  21   8.290  -2.613   1.475
  179    HH   TYR  21           HH       TYR  21   9.351  -0.952   4.355
  180    H    PHE  22           H        PHE  22   3.017  -2.004  -0.974
  181    HA   PHE  22           HA       PHE  22   0.176  -2.520  -0.623
  182   1HB   PHE  22          2HB       PHE  22  -0.560  -1.638  -2.691
  183   2HB   PHE  22          1HB       PHE  22   0.425  -0.379  -1.977
  184    HD1  PHE  22           1HD      PHE  22  -0.179  -2.316  -4.853
  185    HD2  PHE  22           2HD      PHE  22   2.917  -0.301  -2.738
  186    HE1  PHE  22           1HE      PHE  22   1.180  -2.262  -6.906
  187    HE2  PHE  22           2HE      PHE  22   4.282  -0.240  -4.786
  188    HZ   PHE  22           HZ       PHE  22   3.414  -1.230  -6.870
  189    H    TYR  23           H        TYR  23  -0.578  -3.913  -2.584
  190    HA   TYR  23           HA       TYR  23   1.461  -6.019  -2.953
  191   1HB   TYR  23          2HB       TYR  23  -0.569  -6.768  -1.850
  192   2HB   TYR  23          1HB       TYR  23  -1.563  -6.116  -3.156
  193    HD1  TYR  23           1HD      TYR  23  -2.248  -7.546  -4.840
  194    HD2  TYR  23           2HD      TYR  23   1.229  -8.534  -2.598
  195    HE1  TYR  23           1HE      TYR  23  -2.094  -9.690  -6.035
  196    HE2  TYR  23           2HE      TYR  23   1.392 -10.681  -3.786
  197    HH   TYR  23           HH       TYR  23   0.671 -11.725  -5.810
  198    H    ASN  24           H        ASN  24   2.560  -5.547  -4.798
  199    HA   ASN  24           HA       ASN  24   1.284  -4.468  -7.127
  200   1HB   ASN  24          2HB       ASN  24   3.678  -4.077  -6.396
  201   2HB   ASN  24          1HB       ASN  24   4.030  -5.721  -6.946
  202   1HD2  ASN  24          1HD2      ASN  24   4.544  -2.744  -7.800
  203   2HD2  ASN  24          2HD2      ASN  24   4.355  -2.827  -9.537
  204    H    ALA  25           H        ALA  25   0.192  -5.581  -8.612
  205    HA   ALA  25           HA       ALA  25   0.185  -8.473  -8.549
  206   1HB   ALA  25          1HB       ALA  25  -1.957  -7.717  -8.838
  207   2HB   ALA  25          2HB       ALA  25  -1.498  -8.028 -10.512
  208   3HB   ALA  25          3HB       ALA  25  -1.465  -6.382  -9.880
  209    H    LYS  26           H        LYS  26   2.384  -6.572  -9.806
  210    HA   LYS  26           HA       LYS  26   2.622  -8.001 -12.375
  211   1HB   LYS  26          2HB       LYS  26   4.215  -5.578 -11.537
  212   2HB   LYS  26          1HB       LYS  26   4.010  -6.235 -13.155
  213   1HG   LYS  26          2HG       LYS  26   1.557  -5.656 -12.933
  214   2HG   LYS  26          1HG       LYS  26   2.006  -4.737 -11.494
  215   1HD   LYS  26          2HD       LYS  26   2.333  -3.034 -12.912
  216   2HD   LYS  26          1HD       LYS  26   3.832  -3.862 -13.336
  217   1HE   LYS  26          2HE       LYS  26   1.410  -4.783 -14.742
  218   2HE   LYS  26          1HE       LYS  26   1.946  -3.147 -15.126
  219   1HZ   LYS  26          1HZ       LYS  26   4.251  -4.457 -15.258
  220   2HZ   LYS  26          2HZ       LYS  26   3.232  -4.245 -16.590
  221   3HZ   LYS  26          3HZ       LYS  26   3.201  -5.699 -15.725
  222    H    ALA  27           H        ALA  27   4.278  -7.009  -9.446
  223    HA   ALA  27           HA       ALA  27   6.496  -8.830 -10.003
  224   1HB   ALA  27          1HB       ALA  27   6.655  -6.383  -9.036
  225   2HB   ALA  27          2HB       ALA  27   7.749  -7.653  -8.487
  226   3HB   ALA  27          3HB       ALA  27   6.350  -7.210  -7.506
  227    H    GLY  28           H        GLY  28   3.519  -8.740  -8.370
  228   1HA   GLY  28          2HA       GLY  28   2.440 -10.326  -7.157
  229   2HA   GLY  28          1HA       GLY  28   3.843 -11.317  -7.404
  230    H    LEU  29           H        LEU  29   5.063  -8.655  -6.145
  231    HA   LEU  29           HA       LEU  29   4.808  -9.637  -3.383
  232   1HB   LEU  29          2HB       LEU  29   7.083  -8.461  -3.087
  233   2HB   LEU  29          1HB       LEU  29   7.034 -10.023  -3.878
  234    HG   LEU  29           HG       LEU  29   6.918  -8.514  -6.063
  235   1HD1  LEU  29          1HD1      LEU  29   8.714  -6.649  -5.434
  236   2HD1  LEU  29          2HD1      LEU  29   7.824  -6.702  -3.911
  237   3HD1  LEU  29          3HD1      LEU  29   6.975  -6.347  -5.415
  238   1HD2  LEU  29          1HD2      LEU  29   8.699 -10.181  -5.093
  239   2HD2  LEU  29          2HD2      LEU  29   9.599  -8.697  -4.782
  240   3HD2  LEU  29          3HD2      LEU  29   9.104  -9.099  -6.427
  241    H    CYS  30           H        CYS  30   5.350  -7.885  -1.728
  242    HA   CYS  30           HA       CYS  30   3.633  -5.648  -2.285
  243   1HB   CYS  30          2HB       CYS  30   4.917  -6.830   0.141
  244   2HB   CYS  30          1HB       CYS  30   4.294  -5.185   0.206
  245    H    GLN  31           H        GLN  31   4.306  -3.719  -2.934
  246    HA   GLN  31           HA       GLN  31   7.128  -3.003  -2.493
  247   1HB   GLN  31          2HB       GLN  31   5.327  -2.034  -4.713
  248   2HB   GLN  31          1HB       GLN  31   7.042  -1.699  -4.536
  249   1HG   GLN  31          2HG       GLN  31   7.051  -4.404  -4.535
  250   2HG   GLN  31          1HG       GLN  31   5.676  -4.072  -5.588
  251   1HE2  GLN  31          1HE2      GLN  31   6.478  -4.533  -7.550
  252   2HE2  GLN  31          2HE2      GLN  31   7.865  -3.779  -8.251
  253    H    THR  32           H        THR  32   7.483  -0.567  -2.549
  254    HA   THR  32           HA       THR  32   5.480   0.669  -0.795
  255    HB   THR  32           HB       THR  32   7.170   1.797   0.298
  256    HG1  THR  32           1HG      THR  32   8.170   2.905  -1.273
  257   1HG2  THR  32          1HG2      THR  32   8.472   0.181   1.086
  258   2HG2  THR  32          2HG2      THR  32   9.226  -0.092  -0.484
  259   3HG2  THR  32          3HG2      THR  32   7.695  -0.874  -0.094
  260    H    PHE  33           H        PHE  33   5.377   3.088  -0.882
  261    HA   PHE  33           HA       PHE  33   6.017   4.363  -3.373
  262   1HB   PHE  33          2HB       PHE  33   3.652   5.014  -3.895
  263   2HB   PHE  33          1HB       PHE  33   4.023   3.320  -4.163
  264    HD1  PHE  33           1HD      PHE  33   3.618   1.902  -1.815
  265    HD2  PHE  33           2HD      PHE  33   1.568   5.404  -3.096
  266    HE1  PHE  33           1HE      PHE  33   1.708   1.300  -0.392
  267    HE2  PHE  33           2HE      PHE  33  -0.347   4.805  -1.676
  268    HZ   PHE  33           HZ       PHE  33  -0.278   2.752  -0.320
  269    H    VAL  34           H        VAL  34   5.533   6.623  -3.386
  270    HA   VAL  34           HA       VAL  34   5.892   7.795  -0.776
  271    HB   VAL  34           HB       VAL  34   5.723   9.183  -3.449
  272   1HG1  VAL  34          1HG1      VAL  34   7.081  10.120  -0.931
  273   2HG1  VAL  34          2HG1      VAL  34   5.419  10.544  -1.342
  274   3HG1  VAL  34          3HG1      VAL  34   6.743  11.042  -2.395
  275   1HG2  VAL  34          1HG2      VAL  34   8.029   7.903  -2.010
  276   2HG2  VAL  34          2HG2      VAL  34   8.268   9.191  -3.191
  277   3HG2  VAL  34          3HG2      VAL  34   7.506   7.676  -3.679
  278    H    TYR  35           H        TYR  35   3.714   7.121  -0.110
  279    HA   TYR  35           HA       TYR  35   1.338   8.244  -1.131
  280   1HB   TYR  35          2HB       TYR  35   1.192   6.327   0.256
  281   2HB   TYR  35          1HB       TYR  35   2.122   7.096   1.536
  282    HD1  TYR  35           1HD      TYR  35  -0.699   8.608  -0.259
  283    HD2  TYR  35           2HD      TYR  35   0.645   6.831   3.306
  284    HE1  TYR  35           1HE      TYR  35  -2.777   9.306   0.848
  285    HE2  TYR  35           2HE      TYR  35  -1.420   7.501   4.449
  286    HH   TYR  35           HH       TYR  35  -3.203   9.399   4.072
  287    H    GLY  36           H        GLY  36   0.231  10.158  -0.643
  288   1HA   GLY  36          2HA       GLY  36   1.823  12.134   0.826
  289   2HA   GLY  36          1HA       GLY  36   0.639  12.513  -0.402
  290    H    GLY  37           H        GLY  37  -0.270  10.246   2.097
  291   1HA   GLY  37          2HA       GLY  37  -1.682  10.445   3.881
  292   2HA   GLY  37          1HA       GLY  37  -1.131  12.087   4.005
  293    H    CYS  38           H        CYS  38  -2.661  11.103   1.089
  294    HA   CYS  38           HA       CYS  38  -5.086  12.541   1.943
  295   1HB   CYS  38          2HB       CYS  38  -3.400  12.986  -0.310
  296   2HB   CYS  38          1HB       CYS  38  -4.969  12.452  -0.893
  297    H    ARG  39           H        ARG  39  -6.766  11.280   2.227
  298    HA   ARG  39           HA       ARG  39  -8.166   9.479   2.149
  299   1HB   ARG  39          2HB       ARG  39  -8.422  10.948  -0.072
  300   2HB   ARG  39          1HB       ARG  39  -7.947   9.425  -0.813
  301   1HG   ARG  39          2HG       ARG  39 -10.193   9.601   1.169
  302   2HG   ARG  39          1HG       ARG  39 -10.430   9.878  -0.558
  303   1HD   ARG  39          2HD       ARG  39 -10.852   7.647  -0.511
  304   2HD   ARG  39          1HD       ARG  39  -9.101   7.585  -0.710
  305    HE   ARG  39           HE       ARG  39  -8.933   6.683   1.384
  306   1HH1  ARG  39          1HH1      ARG  39 -12.086   8.121   1.024
  307   2HH1  ARG  39          2HH1      ARG  39 -12.680   7.507   2.529
  308   1HH2  ARG  39          1HH2      ARG  39  -9.708   5.870   3.372
  309   2HH2  ARG  39          2HH2      ARG  39 -11.329   6.229   3.866
  310    H    ALA  40           H        ALA  40  -5.899   8.388   2.835
  311    HA   ALA  40           HA       ALA  40  -4.589   6.609   1.167
  312   1HB   ALA  40          1HB       ALA  40  -3.489   6.258   3.060
  313   2HB   ALA  40          2HB       ALA  40  -4.852   5.317   3.665
  314   3HB   ALA  40          3HB       ALA  40  -4.769   7.050   3.977
  315    H    LYS  41           H        LYS  41  -5.190   4.867   0.075
  316    HA   LYS  41           HA       LYS  41  -7.856   3.871   0.255
  317   1HB   LYS  41          2HB       LYS  41  -5.504   3.430  -1.467
  318   2HB   LYS  41          1HB       LYS  41  -6.588   2.057  -1.317
  319   1HG   LYS  41          2HG       LYS  41  -7.679   4.760  -1.958
  320   2HG   LYS  41          1HG       LYS  41  -6.942   3.773  -3.221
  321   1HD   LYS  41          2HD       LYS  41  -8.651   2.303  -3.253
  322   2HD   LYS  41          1HD       LYS  41  -8.895   2.389  -1.507
  323   1HE   LYS  41          2HE       LYS  41 -10.828   3.360  -2.364
  324   2HE   LYS  41          1HE       LYS  41  -9.816   4.749  -1.971
  325   1HZ   LYS  41          1HZ       LYS  41 -10.868   4.950  -4.151
  326   2HZ   LYS  41          2HZ       LYS  41 -10.080   3.547  -4.673
  327   3HZ   LYS  41          3HZ       LYS  41  -9.180   4.923  -4.276
  328    H    ARG  42           H        ARG  42  -7.831   1.223  -0.024
  329    HA   ARG  42           HA       ARG  42  -7.353   0.316   2.643
  330   1HB   ARG  42          2HB       ARG  42  -8.161  -1.303   0.217
  331   2HB   ARG  42          1HB       ARG  42  -8.302  -1.800   1.906
  332   1HG   ARG  42          2HG       ARG  42  -9.655   0.631   1.758
  333   2HG   ARG  42          1HG       ARG  42 -10.105  -0.234   0.286
  334   1HD   ARG  42          2HD       ARG  42 -10.101  -1.835   2.758
  335   2HD   ARG  42          1HD       ARG  42 -11.320  -0.564   2.677
  336    HE   ARG  42           HE       ARG  42 -11.168  -2.240   0.332
  337   1HH1  ARG  42          1HH1      ARG  42 -12.639  -1.780   3.464
  338   2HH1  ARG  42          2HH1      ARG  42 -14.024  -2.751   3.093
  339   1HH2  ARG  42          1HH2      ARG  42 -12.985  -3.523  -0.152
  340   2HH2  ARG  42          2HH2      ARG  42 -14.220  -3.742   1.043
  341    H    ASN  43           H        ASN  43  -5.798  -0.241  -0.490
  342    HA   ASN  43           HA       ASN  43  -3.969  -2.158   0.650
  343   1HB   ASN  43          2HB       ASN  43  -4.909  -1.915  -1.846
  344   2HB   ASN  43          1HB       ASN  43  -3.435  -0.972  -2.021
  345   1HD2  ASN  43          1HD2      ASN  43  -4.797  -4.092  -1.730
  346   2HD2  ASN  43          2HD2      ASN  43  -3.325  -4.991  -1.838
  347    H    ASN  44           H        ASN  44  -3.474  -0.391   2.270
  348    HA   ASN  44           HA       ASN  44  -0.956   0.866   1.473
  349   1HB   ASN  44          2HB       ASN  44  -3.190   2.345   2.884
  350   2HB   ASN  44          1HB       ASN  44  -1.573   2.978   2.591
  351   1HD2  ASN  44          1HD2      ASN  44  -1.681   4.474   1.093
  352   2HD2  ASN  44          2HD2      ASN  44  -2.573   4.368  -0.393
  353    H    PHE  45           H        PHE  45   0.260  -0.474   2.774
  354    HA   PHE  45           HA       PHE  45  -0.460  -0.649   5.619
  355   1HB   PHE  45          2HB       PHE  45   1.715  -2.204   4.208
  356   2HB   PHE  45          1HB       PHE  45   0.968  -2.552   5.763
  357    HD1  PHE  45           1HD      PHE  45   0.716  -2.946   2.182
  358    HD2  PHE  45           2HD      PHE  45  -1.370  -3.328   5.865
  359    HE1  PHE  45           1HE      PHE  45  -0.979  -4.340   1.069
  360    HE2  PHE  45           2HE      PHE  45  -3.069  -4.718   4.761
  361    HZ   PHE  45           HZ       PHE  45  -2.875  -5.229   2.360
  362    H    LYS  46           H        LYS  46   1.194  -0.342   7.229
  363    HA   LYS  46           HA       LYS  46   2.830   1.949   6.622
  364   1HB   LYS  46          2HB       LYS  46   1.523   1.051   8.877
  365   2HB   LYS  46          1HB       LYS  46   3.209   0.720   9.252
  366   1HG   LYS  46          2HG       LYS  46   3.749   3.070   8.728
  367   2HG   LYS  46          1HG       LYS  46   2.032   3.376   8.471
  368   1HD   LYS  46          2HD       LYS  46   1.710   2.456  10.843
  369   2HD   LYS  46          1HD       LYS  46   3.453   2.670  11.020
  370   1HE   LYS  46          2HE       LYS  46   3.074   5.067  10.253
  371   2HE   LYS  46          1HE       LYS  46   1.356   4.763  10.510
  372   1HZ   LYS  46          1HZ       LYS  46   1.864   4.197  12.822
  373   2HZ   LYS  46          2HZ       LYS  46   2.322   5.783  12.450
  374   3HZ   LYS  46          3HZ       LYS  46   3.494   4.568  12.562
  375    H    SER  47           H        SER  47   3.290  -1.421   6.610
  376    HA   SER  47           HA       SER  47   6.100  -1.083   6.069
  377   1HB   SER  47          2HB       SER  47   6.262  -3.173   7.865
  378   2HB   SER  47          1HB       SER  47   6.770  -1.517   8.163
  379    HG   SER  47           HG       SER  47   5.229  -2.525   9.698
  380    H    ALA  48           H        ALA  48   7.104  -2.981   5.214
  381    HA   ALA  48           HA       ALA  48   5.524  -4.410   3.413
  382   1HB   ALA  48          1HB       ALA  48   8.232  -4.095   3.865
  383   2HB   ALA  48          2HB       ALA  48   7.494  -5.091   2.610
  384   3HB   ALA  48          3HB       ALA  48   7.962  -5.816   4.148
  385    H    GLU  49           H        GLU  49   6.462  -5.085   6.713
  386    HA   GLU  49           HA       GLU  49   5.736  -7.828   6.722
  387   1HB   GLU  49          2HB       GLU  49   6.244  -5.770   8.837
  388   2HB   GLU  49          1HB       GLU  49   5.494  -7.296   9.289
  389   1HG   GLU  49          2HG       GLU  49   7.871  -7.414   9.630
  390   2HG   GLU  49          1HG       GLU  49   7.401  -8.500   8.323
  391    H    ASP  50           H        ASP  50   4.004  -4.848   7.587
  392    HA   ASP  50           HA       ASP  50   1.637  -6.067   8.483
  393   1HB   ASP  50          2HB       ASP  50   2.471  -3.380   7.676
  394   2HB   ASP  50          1HB       ASP  50   0.791  -3.722   7.259
  395    H    CYS  51           H        CYS  51   2.803  -5.187   5.288
  396    HA   CYS  51           HA       CYS  51   0.496  -5.642   3.784
  397   1HB   CYS  51          2HB       CYS  51   2.945  -4.799   3.167
  398   2HB   CYS  51          1HB       CYS  51   3.171  -6.488   2.740
  399    H    LEU  52           H        LEU  52   3.263  -7.860   4.118
  400    HA   LEU  52           HA       LEU  52   1.982 -10.121   3.102
  401   1HB   LEU  52          2HB       LEU  52   4.137 -10.037   5.221
  402   2HB   LEU  52          1HB       LEU  52   3.713 -11.430   4.245
  403    HG   LEU  52           HG       LEU  52   5.032  -8.881   3.325
  404   1HD1  LEU  52          1HD1      LEU  52   6.553 -10.871   2.398
  405   2HD1  LEU  52          2HD1      LEU  52   5.889 -11.663   3.827
  406   3HD1  LEU  52          3HD1      LEU  52   6.780 -10.150   3.990
  407   1HD2  LEU  52          1HD2      LEU  52   4.059 -11.171   1.622
  408   2HD2  LEU  52          2HD2      LEU  52   4.955  -9.757   1.069
  409   3HD2  LEU  52          3HD2      LEU  52   3.319  -9.573   1.700
  410    H    ARG  53           H        ARG  53   1.922  -8.686   6.285
  411    HA   ARG  53           HA       ARG  53   0.734 -10.885   7.634
  412   1HB   ARG  53          2HB       ARG  53   1.932  -8.772   8.585
  413   2HB   ARG  53          1HB       ARG  53   0.338  -8.041   8.494
  414   1HG   ARG  53          2HG       ARG  53  -0.473  -9.268  10.208
  415   2HG   ARG  53          1HG       ARG  53   0.510 -10.679   9.806
  416   1HD   ARG  53          2HD       ARG  53   2.482  -9.588  10.716
  417   2HD   ARG  53          1HD       ARG  53   1.539  -8.144  11.073
  418    HE   ARG  53           HE       ARG  53   1.226 -10.751  12.409
  419   1HH1  ARG  53          1HH1      ARG  53   0.835  -7.273  12.394
  420   2HH1  ARG  53          2HH1      ARG  53   0.288  -7.212  14.033
  421   1HH2  ARG  53          1HH2      ARG  53   0.511 -10.655  14.558
  422   2HH2  ARG  53          2HH2      ARG  53   0.104  -9.125  15.261
  423    H    THR  54           H        THR  54  -0.518  -8.295   5.644
  424    HA   THR  54           HA       THR  54  -3.258  -8.847   6.507
  425    HB   THR  54           HB       THR  54  -2.394  -6.858   4.415
  426    HG1  THR  54           1HG      THR  54  -2.587  -6.498   7.222
  427   1HG2  THR  54          1HG2      THR  54  -4.900  -7.532   5.650
  428   2HG2  THR  54          2HG2      THR  54  -4.557  -6.429   4.318
  429   3HG2  THR  54          3HG2      THR  54  -4.458  -5.858   5.982
  430    H    CYS  55           H        CYS  55  -1.377  -8.927   3.453
  431    HA   CYS  55           HA       CYS  55  -3.617 -10.355   2.223
  432   1HB   CYS  55          2HB       CYS  55  -2.834  -8.467   0.953
  433   2HB   CYS  55          1HB       CYS  55  -1.176  -9.065   0.997
  434    H    GLY  56           H        GLY  56  -0.590 -11.042   3.615
  435   1HA   GLY  56          2HA       GLY  56   0.629 -13.001   3.733
  436   2HA   GLY  56          1HA       GLY  56  -0.833 -13.806   3.184
  437    H    GLY  57           H        GLY  57   2.236 -12.468   2.249
  438   1HA   GLY  57          2HA       GLY  57   1.789 -13.096  -0.566
  439   2HA   GLY  57          1HA       GLY  57   3.218 -12.329   0.118
  440    H    ALA  58           H        ALA  58   4.994 -13.535   0.265
  441    HA   ALA  58           HA       ALA  58   6.396 -15.326   0.245
  442   1HB   ALA  58          1HB       ALA  58   4.029 -16.663   1.544
  443   2HB   ALA  58          2HB       ALA  58   5.395 -15.896   2.354
  444   3HB   ALA  58          3HB       ALA  58   5.638 -17.374   1.424
  Start of MODEL    2
    1   1H    ARG   1          1HT       ARG   1  -5.747 -13.796   1.299
    2   2H    ARG   1          2HT       ARG   1  -4.292 -14.250   0.508
    3   3H    ARG   1          3HT       ARG   1  -5.799 -14.856  -0.047
    4    HA   ARG   1           HA       ARG   1  -4.674 -12.168  -0.270
    5   1HB   ARG   1          2HB       ARG   1  -4.740 -14.330  -1.937
    6   2HB   ARG   1          1HB       ARG   1  -6.194 -13.476  -2.434
    7   1HG   ARG   1          2HG       ARG   1  -4.849 -11.450  -2.809
    8   2HG   ARG   1          1HG       ARG   1  -3.400 -12.356  -2.370
    9   1HD   ARG   1          2HD       ARG   1  -3.351 -13.489  -4.329
   10   2HD   ARG   1          1HD       ARG   1  -5.107 -13.557  -4.457
   11    HE   ARG   1           HE       ARG   1  -4.169 -10.909  -4.841
   12   1HH1  ARG   1          1HH1      ARG   1  -4.413 -14.004  -6.436
   13   2HH1  ARG   1          2HH1      ARG   1  -4.433 -13.322  -8.028
   14   1HH2  ARG   1          1HH2      ARG   1  -4.193 -10.011  -6.936
   15   2HH2  ARG   1          2HH2      ARG   1  -4.308 -11.056  -8.311
   16    HA   PRO   2           HA       PRO   2  -8.938 -11.128   1.033
   17   1HB   PRO   2          2HB       PRO   2  -7.773  -8.447   1.305
   18   2HB   PRO   2          1HB       PRO   2  -8.613  -9.431   2.508
   19   1HG   PRO   2          2HG       PRO   2  -5.957  -8.969   2.620
   20   2HG   PRO   2          1HG       PRO   2  -6.687 -10.485   3.183
   21   1HD   PRO   2          2HD       PRO   2  -5.211  -9.920   0.647
   22   2HD   PRO   2          1HD       PRO   2  -5.189 -11.372   1.667
   23    H    ASP   3           H        ASP   3 -10.552  -9.860   0.052
   24    HA   ASP   3           HA       ASP   3 -10.442  -9.562  -2.685
   25   1HB   ASP   3          2HB       ASP   3 -12.462  -8.099  -2.434
   26   2HB   ASP   3          1HB       ASP   3 -12.566  -9.630  -1.572
   27    H    PHE   4           H        PHE   4 -10.104  -6.959  -0.255
   28    HA   PHE   4           HA       PHE   4  -9.712  -4.868  -2.030
   29   1HB   PHE   4          2HB       PHE   4  -8.849  -3.651  -0.155
   30   2HB   PHE   4          1HB       PHE   4 -10.166  -4.661   0.404
   31    HD1  PHE   4           1HD      PHE   4  -6.484  -4.327   0.320
   32    HD2  PHE   4           2HD      PHE   4  -9.836  -6.271   2.078
   33    HE1  PHE   4           1HE      PHE   4  -5.023  -5.259   2.071
   34    HE2  PHE   4           2HE      PHE   4  -8.383  -7.206   3.828
   35    HZ   PHE   4           HZ       PHE   4  -5.972  -6.706   3.824
   36    H    CYS   5           H        CYS   5  -7.500  -7.364  -1.009
   37    HA   CYS   5           HA       CYS   5  -5.056  -6.125  -1.540
   38   1HB   CYS   5          2HB       CYS   5  -5.210  -8.308  -0.456
   39   2HB   CYS   5          1HB       CYS   5  -5.827  -9.022  -1.941
   40    H    LEU   6           H        LEU   6  -7.550  -7.046  -3.711
   41    HA   LEU   6           HA       LEU   6  -5.801  -7.165  -6.021
   42   1HB   LEU   6          2HB       LEU   6  -8.811  -7.192  -5.994
   43   2HB   LEU   6          1HB       LEU   6  -7.751  -7.727  -7.283
   44    HG   LEU   6           HG       LEU   6  -7.980  -9.059  -4.584
   45   1HD1  LEU   6          1HD1      LEU   6  -9.155  -9.805  -7.257
   46   2HD1  LEU   6          2HD1      LEU   6 -10.038  -9.336  -5.804
   47   3HD1  LEU   6          3HD1      LEU   6  -9.134 -10.849  -5.835
   48   1HD2  LEU   6          1HD2      LEU   6  -6.325 -10.448  -5.194
   49   2HD2  LEU   6          2HD2      LEU   6  -5.878  -9.155  -6.307
   50   3HD2  LEU   6          3HD2      LEU   6  -6.858 -10.507  -6.875
   51    H    GLU   7           H        GLU   7  -6.287  -4.603  -4.389
   52    HA   GLU   7           HA       GLU   7  -7.077  -2.953  -6.697
   53   1HB   GLU   7          2HB       GLU   7  -8.021  -1.302  -5.230
   54   2HB   GLU   7          1HB       GLU   7  -8.736  -2.861  -4.854
   55   1HG   GLU   7          2HG       GLU   7  -8.149  -2.648  -2.740
   56   2HG   GLU   7          1HG       GLU   7  -6.454  -2.497  -3.197
   57    HA   PRO   8           HA       PRO   8  -2.864  -1.516  -6.630
   58   1HB   PRO   8          2HB       PRO   8  -4.103   0.871  -7.908
   59   2HB   PRO   8          1HB       PRO   8  -2.730  -0.107  -8.441
   60   1HG   PRO   8          2HG       PRO   8  -5.096  -0.339  -9.630
   61   2HG   PRO   8          1HG       PRO   8  -4.085  -1.765  -9.331
   62   1HD   PRO   8          2HD       PRO   8  -6.525  -0.830  -7.886
   63   2HD   PRO   8          1HD       PRO   8  -5.998  -2.484  -8.268
   64    HA   PRO   9           HA       PRO   9  -2.450   1.444  -3.368
   65   1HB   PRO   9          2HB       PRO   9  -0.350   2.961  -4.107
   66   2HB   PRO   9          1HB       PRO   9  -0.168   1.251  -3.691
   67   1HG   PRO   9          2HG       PRO   9  -0.393   2.519  -6.403
   68   2HG   PRO   9          1HG       PRO   9   0.768   1.298  -5.837
   69   1HD   PRO   9          2HD       PRO   9  -1.427   0.644  -7.268
   70   2HD   PRO   9          1HD       PRO   9  -0.768  -0.423  -6.006
   71    H    TYR  10           H        TYR  10  -2.386   3.793  -2.813
   72    HA   TYR  10           HA       TYR  10  -3.295   5.633  -4.860
   73   1HB   TYR  10          2HB       TYR  10  -5.316   4.350  -3.910
   74   2HB   TYR  10          1HB       TYR  10  -5.057   5.296  -2.449
   75    HD1  TYR  10           1HD      TYR  10  -5.458   5.753  -6.134
   76    HD2  TYR  10           2HD      TYR  10  -6.150   7.326  -2.242
   77    HE1  TYR  10           1HE      TYR  10  -6.739   7.606  -7.118
   78    HE2  TYR  10           2HE      TYR  10  -7.436   9.183  -3.215
   79    HH   TYR  10           HH       TYR  10  -7.300  10.297  -5.917
   80    H    THR  11           H        THR  11  -1.480   6.809  -4.417
   81    HA   THR  11           HA       THR  11  -0.677   7.650  -1.812
   82    HB   THR  11           HB       THR  11  -0.012   8.747  -4.562
   83    HG1  THR  11           1HG      THR  11   1.833   7.449  -4.342
   84   1HG2  THR  11          1HG2      THR  11   1.733   9.944  -3.718
   85   2HG2  THR  11          2HG2      THR  11   1.823   8.982  -2.247
   86   3HG2  THR  11          3HG2      THR  11   0.535  10.166  -2.445
   87    H    GLY  12           H        GLY  12  -3.034   8.811  -4.062
   88   1HA   GLY  12          2HA       GLY  12  -4.497  10.532  -4.001
   89   2HA   GLY  12          1HA       GLY  12  -4.097  10.647  -2.299
   90    HA   PRO  13           HA       PRO  13  -2.048  14.057  -5.052
   91   1HB   PRO  13          2HB       PRO  13  -4.009  15.912  -5.321
   92   2HB   PRO  13          1HB       PRO  13  -3.729  14.635  -6.509
   93   1HG   PRO  13          2HG       PRO  13  -5.761  14.769  -4.315
   94   2HG   PRO  13          1HG       PRO  13  -5.958  14.226  -5.992
   95   1HD   PRO  13          2HD       PRO  13  -5.667  12.502  -3.920
   96   2HD   PRO  13          1HD       PRO  13  -5.070  12.145  -5.556
   97    H    CYS  14           H        CYS  14  -1.034  14.133  -2.942
   98    HA   CYS  14           HA       CYS  14  -1.890  16.498  -1.434
   99   1HB   CYS  14          2HB       CYS  14  -1.477  13.736  -0.335
  100   2HB   CYS  14          1HB       CYS  14  -1.073  15.140   0.655
  101    H    ARG  15           H        ARG  15  -0.110  17.087   0.197
  102    HA   ARG  15           HA       ARG  15   2.458  16.895  -1.234
  103   1HB   ARG  15          2HB       ARG  15   1.010  19.140  -0.687
  104   2HB   ARG  15          1HB       ARG  15   2.124  19.106   0.674
  105   1HG   ARG  15          2HG       ARG  15   3.833  18.631  -1.355
  106   2HG   ARG  15          1HG       ARG  15   2.627  19.623  -2.176
  107   1HD   ARG  15          2HD       ARG  15   2.882  21.360  -0.496
  108   2HD   ARG  15          1HD       ARG  15   4.036  20.360   0.386
  109    HE   ARG  15           HE       ARG  15   5.661  20.961  -1.113
  110   1HH1  ARG  15          1HH1      ARG  15   2.538  21.840  -2.402
  111   2HH1  ARG  15          2HH1      ARG  15   3.199  22.731  -3.733
  112   1HH2  ARG  15          1HH2      ARG  15   6.532  22.131  -2.862
  113   2HH2  ARG  15          2HH2      ARG  15   5.467  22.896  -3.994
  114    H    VAL  16           H        VAL  16   2.179  14.817   0.363
  115    HA   VAL  16           HA       VAL  16   3.843  15.478   2.707
  116    HB   VAL  16           HB       VAL  16   2.040  13.076   2.720
  117   1HG1  VAL  16          1HG1      VAL  16   3.775  14.494   4.603
  118   2HG1  VAL  16          2HG1      VAL  16   3.262  12.807   4.579
  119   3HG1  VAL  16          3HG1      VAL  16   2.202  14.040   5.261
  120   1HG2  VAL  16          1HG2      VAL  16   0.576  15.004   2.280
  121   2HG2  VAL  16          2HG2      VAL  16   1.255  15.826   3.687
  122   3HG2  VAL  16          3HG2      VAL  16   0.323  14.342   3.896
  123    H    ARG  17           H        ARG  17   4.893  13.233   3.502
  124    HA   ARG  17           HA       ARG  17   5.793  11.697   1.171
  125   1HB   ARG  17          2HB       ARG  17   7.663  12.928   3.206
  126   2HB   ARG  17          1HB       ARG  17   8.132  11.894   1.864
  127   1HG   ARG  17          2HG       ARG  17   6.816  13.833   0.534
  128   2HG   ARG  17          1HG       ARG  17   7.439  14.752   1.906
  129   1HD   ARG  17          2HD       ARG  17   9.684  13.610   1.373
  130   2HD   ARG  17          1HD       ARG  17   8.953  13.225  -0.184
  131    HE   ARG  17           HE       ARG  17   8.744  16.000   0.511
  132   1HH1  ARG  17          1HH1      ARG  17  10.809  13.572  -0.912
  133   2HH1  ARG  17          2HH1      ARG  17  11.707  14.710  -1.858
  134   1HH2  ARG  17          1HH2      ARG  17   9.924  17.499  -0.733
  135   2HH2  ARG  17          2HH2      ARG  17  11.205  16.941  -1.757
  136    H    ILE  18           H        ILE  18   4.530   9.970   2.009
  137    HA   ILE  18           HA       ILE  18   5.608   8.767   4.481
  138    HB   ILE  18           HB       ILE  18   2.854   8.407   3.288
  139   1HG1  ILE  18          2HG1      ILE  18   3.896  10.104   5.549
  140   2HG1  ILE  18          1HG1      ILE  18   2.910  10.593   4.176
  141   1HG2  ILE  18          1HG2      ILE  18   4.096   7.342   5.817
  142   2HG2  ILE  18          2HG2      ILE  18   3.518   6.417   4.431
  143   3HG2  ILE  18          3HG2      ILE  18   2.371   7.280   5.453
  144   1HD1  ILE  18          1HD1      ILE  18   1.143  10.441   5.497
  145   2HD1  ILE  18          2HD1      ILE  18   2.104   9.719   6.786
  146   3HD1  ILE  18          3HD1      ILE  18   1.386   8.695   5.543
  147    H    ILE  19           H        ILE  19   6.362   6.681   4.381
  148    HA   ILE  19           HA       ILE  19   6.424   5.480   1.713
  149    HB   ILE  19           HB       ILE  19   8.040   4.872   4.195
  150   1HG1  ILE  19          2HG1      ILE  19   9.856   5.629   2.383
  151   2HG1  ILE  19          1HG1      ILE  19   8.477   6.536   1.771
  152   1HG2  ILE  19          1HG2      ILE  19   8.556   2.906   3.296
  153   2HG2  ILE  19          2HG2      ILE  19   9.244   3.743   1.904
  154   3HG2  ILE  19          3HG2      ILE  19   7.550   3.251   1.890
  155   1HD1  ILE  19          1HD1      ILE  19  10.108   6.969   4.150
  156   2HD1  ILE  19          2HD1      ILE  19   8.372   7.100   4.429
  157   3HD1  ILE  19          3HD1      ILE  19   9.146   8.106   3.205
  158    H    ARG  20           H        ARG  20   4.342   4.595   1.668
  159    HA   ARG  20           HA       ARG  20   3.659   2.623   3.715
  160   1HB   ARG  20          2HB       ARG  20   1.965   3.396   1.351
  161   2HB   ARG  20          1HB       ARG  20   1.449   2.654   2.857
  162   1HG   ARG  20          2HG       ARG  20   2.618   5.414   2.707
  163   2HG   ARG  20          1HG       ARG  20   0.890   5.081   2.576
  164   1HD   ARG  20          2HD       ARG  20   2.681   4.406   4.907
  165   2HD   ARG  20          1HD       ARG  20   1.470   5.681   4.857
  166    HE   ARG  20           HE       ARG  20   0.875   2.799   4.787
  167   1HH1  ARG  20          1HH1      ARG  20  -0.055   6.085   5.549
  168   2HH1  ARG  20          2HH1      ARG  20  -1.536   5.615   6.306
  169   1HH2  ARG  20          1HH2      ARG  20  -1.075   2.194   5.783
  170   2HH2  ARG  20          2HH2      ARG  20  -2.115   3.412   6.440
  171    H    TYR  21           H        TYR  21   2.545   0.592   2.835
  172    HA   TYR  21           HA       TYR  21   4.118  -0.496   0.595
  173   1HB   TYR  21          2HB       TYR  21   3.256  -1.774   3.188
  174   2HB   TYR  21          1HB       TYR  21   3.949  -2.682   1.844
  175    HD1  TYR  21           1HD      TYR  21   4.634  -0.038   4.342
  176    HD2  TYR  21           2HD      TYR  21   6.298  -2.752   1.521
  177    HE1  TYR  21           1HE      TYR  21   6.880   0.438   5.218
  178    HE2  TYR  21           2HE      TYR  21   8.549  -2.283   2.390
  179    HH   TYR  21           HH       TYR  21   9.547  -1.454   4.569
  180    H    PHE  22           H        PHE  22   3.057  -2.117  -0.689
  181    HA   PHE  22           HA       PHE  22   0.252  -2.663  -0.218
  182   1HB   PHE  22          2HB       PHE  22  -0.638  -1.719  -2.183
  183   2HB   PHE  22          1HB       PHE  22   0.364  -0.463  -1.485
  184    HD1  PHE  22           1HD      PHE  22   2.773  -0.254  -2.407
  185    HD2  PHE  22           2HD      PHE  22  -0.365  -2.337  -4.389
  186    HE1  PHE  22           1HE      PHE  22   4.001  -0.075  -4.532
  187    HE2  PHE  22           2HE      PHE  22   0.858  -2.162  -6.518
  188    HZ   PHE  22           HZ       PHE  22   3.044  -1.035  -6.589
  189    H    TYR  23           H        TYR  23  -0.625  -3.996  -2.132
  190    HA   TYR  23           HA       TYR  23   1.424  -6.036  -2.744
  191   1HB   TYR  23          2HB       TYR  23  -0.559  -6.806  -1.519
  192   2HB   TYR  23          1HB       TYR  23  -1.601  -6.224  -2.823
  193    HD1  TYR  23           1HD      TYR  23  -2.156  -7.654  -4.578
  194    HD2  TYR  23           2HD      TYR  23   1.221  -8.570  -2.157
  195    HE1  TYR  23           1HE      TYR  23  -1.917  -9.809  -5.736
  196    HE2  TYR  23           2HE      TYR  23   1.468 -10.729  -3.308
  197    HH   TYR  23           HH       TYR  23  -0.296 -11.501  -6.166
  198    H    ASN  24           H        ASN  24   2.389  -5.374  -4.630
  199    HA   ASN  24           HA       ASN  24   0.965  -4.261  -6.826
  200   1HB   ASN  24          2HB       ASN  24   3.390  -3.906  -6.339
  201   2HB   ASN  24          1HB       ASN  24   3.691  -5.581  -6.816
  202   1HD2  ASN  24          1HD2      ASN  24   3.324  -2.382  -7.858
  203   2HD2  ASN  24          2HD2      ASN  24   3.385  -2.679  -9.580
  204    H    ALA  25           H        ALA  25  -0.259  -5.291  -8.276
  205    HA   ALA  25           HA       ALA  25  -0.356  -8.186  -8.285
  206   1HB   ALA  25          1HB       ALA  25  -2.221  -7.756  -9.973
  207   2HB   ALA  25          2HB       ALA  25  -2.011  -6.048  -9.586
  208   3HB   ALA  25          3HB       ALA  25  -2.470  -7.190  -8.323
  209    H    LYS  26           H        LYS  26   1.891  -6.473  -9.574
  210    HA   LYS  26           HA       LYS  26   1.815  -7.734 -12.240
  211   1HB   LYS  26          2HB       LYS  26   2.412  -5.076 -11.466
  212   2HB   LYS  26          1HB       LYS  26   3.935  -5.804 -11.958
  213   1HG   LYS  26          2HG       LYS  26   2.373  -6.621 -13.981
  214   2HG   LYS  26          1HG       LYS  26   1.556  -5.115 -13.556
  215   1HD   LYS  26          2HD       LYS  26   4.521  -5.325 -14.058
  216   2HD   LYS  26          1HD       LYS  26   3.346  -4.899 -15.304
  217   1HE   LYS  26          2HE       LYS  26   2.597  -3.109 -13.532
  218   2HE   LYS  26          1HE       LYS  26   4.230  -3.353 -12.913
  219   1HZ   LYS  26          1HZ       LYS  26   3.628  -1.611 -14.828
  220   2HZ   LYS  26          2HZ       LYS  26   4.012  -2.954 -15.781
  221   3HZ   LYS  26          3HZ       LYS  26   5.147  -2.344 -14.686
  222    H    ALA  27           H        ALA  27   3.728  -7.103  -9.368
  223    HA   ALA  27           HA       ALA  27   5.687  -9.124 -10.211
  224   1HB   ALA  27          1HB       ALA  27   5.860  -6.656  -8.619
  225   2HB   ALA  27          2HB       ALA  27   7.073  -7.447  -9.626
  226   3HB   ALA  27          3HB       ALA  27   6.775  -8.025  -7.987
  227    H    GLY  28           H        GLY  28   2.943  -8.780  -8.345
  228   1HA   GLY  28          2HA       GLY  28   1.928 -10.116  -6.825
  229   2HA   GLY  28          1HA       GLY  28   3.152 -11.274  -7.235
  230    H    LEU  29           H        LEU  29   4.615  -8.546  -6.245
  231    HA   LEU  29           HA       LEU  29   4.955  -9.584  -3.514
  232   1HB   LEU  29          2HB       LEU  29   6.887  -7.963  -5.176
  233   2HB   LEU  29          1HB       LEU  29   7.172  -8.515  -3.536
  234    HG   LEU  29           HG       LEU  29   6.733 -10.368  -5.878
  235   1HD1  LEU  29          1HD1      LEU  29   9.313  -9.509  -4.575
  236   2HD1  LEU  29          2HD1      LEU  29   8.771  -9.067  -6.194
  237   3HD1  LEU  29          3HD1      LEU  29   9.141 -10.750  -5.818
  238   1HD2  LEU  29          1HD2      LEU  29   6.168 -11.314  -3.695
  239   2HD2  LEU  29          2HD2      LEU  29   7.761 -10.865  -3.086
  240   3HD2  LEU  29          3HD2      LEU  29   7.614 -12.066  -4.368
  241    H    CYS  30           H        CYS  30   5.663  -7.850  -1.922
  242    HA   CYS  30           HA       CYS  30   3.765  -5.674  -2.105
  243   1HB   CYS  30          2HB       CYS  30   5.268  -7.042   0.050
  244   2HB   CYS  30          1HB       CYS  30   4.904  -5.339   0.307
  245    H    GLN  31           H        GLN  31   4.304  -3.714  -2.770
  246    HA   GLN  31           HA       GLN  31   7.130  -2.904  -2.607
  247   1HB   GLN  31          2HB       GLN  31   5.110  -1.856  -4.584
  248   2HB   GLN  31          1HB       GLN  31   6.850  -1.609  -4.599
  249   1HG   GLN  31          2HG       GLN  31   6.663  -4.329  -4.674
  250   2HG   GLN  31          1HG       GLN  31   5.252  -3.835  -5.609
  251   1HE2  GLN  31          1HE2      GLN  31   7.646  -5.175  -6.521
  252   2HE2  GLN  31          2HE2      GLN  31   8.352  -4.158  -7.725
  253    H    THR  32           H        THR  32   7.418  -0.476  -2.539
  254    HA   THR  32           HA       THR  32   5.432   0.648  -0.683
  255    HB   THR  32           HB       THR  32   7.125   1.743   0.471
  256    HG1  THR  32           1HG      THR  32   8.882   1.326  -1.712
  257   1HG2  THR  32          1HG2      THR  32   8.619   0.165   1.171
  258   2HG2  THR  32          2HG2      THR  32   8.892  -0.459  -0.456
  259   3HG2  THR  32          3HG2      THR  32   7.403  -0.854   0.401
  260    H    PHE  33           H        PHE  33   5.312   3.055  -0.648
  261    HA   PHE  33           HA       PHE  33   6.042   4.458  -3.052
  262   1HB   PHE  33          2HB       PHE  33   3.649   5.162  -3.536
  263   2HB   PHE  33          1HB       PHE  33   4.093   3.529  -4.002
  264    HD1  PHE  33           1HD      PHE  33   3.686   1.825  -1.831
  265    HD2  PHE  33           2HD      PHE  33   1.521   5.357  -2.787
  266    HE1  PHE  33           1HE      PHE  33   1.750   0.967  -0.592
  267    HE2  PHE  33           2HE      PHE  33  -0.424   4.504  -1.550
  268    HZ   PHE  33           HZ       PHE  33  -0.309   2.304  -0.450
  269    H    VAL  34           H        VAL  34   5.536   6.738  -2.967
  270    HA   VAL  34           HA       VAL  34   5.859   7.757  -0.292
  271    HB   VAL  34           HB       VAL  34   5.720   9.306  -2.876
  272   1HG1  VAL  34          1HG1      VAL  34   6.220  10.001  -0.068
  273   2HG1  VAL  34          2HG1      VAL  34   5.686  11.011  -1.412
  274   3HG1  VAL  34          3HG1      VAL  34   7.399  10.649  -1.209
  275   1HG2  VAL  34          1HG2      VAL  34   7.835   7.623  -1.715
  276   2HG2  VAL  34          2HG2      VAL  34   8.349   9.221  -2.255
  277   3HG2  VAL  34          3HG2      VAL  34   7.565   8.118  -3.385
  278    H    TYR  35           H        TYR  35   3.637   7.023   0.268
  279    HA   TYR  35           HA       TYR  35   1.287   8.192  -0.704
  280   1HB   TYR  35          2HB       TYR  35   1.146   6.270   0.718
  281   2HB   TYR  35          1HB       TYR  35   2.016   7.093   2.010
  282    HD1  TYR  35           1HD      TYR  35  -0.600   8.815   0.162
  283    HD2  TYR  35           2HD      TYR  35   0.304   6.566   3.613
  284    HE1  TYR  35           1HE      TYR  35  -2.724   9.528   1.175
  285    HE2  TYR  35           2HE      TYR  35  -1.815   7.260   4.640
  286    HH   TYR  35           HH       TYR  35  -3.789   9.713   3.278
  287    H    GLY  36           H        GLY  36   0.428  10.219  -0.492
  288   1HA   GLY  36          2HA       GLY  36   1.923  12.120   1.136
  289   2HA   GLY  36          1HA       GLY  36   0.814  12.535  -0.150
  290    H    GLY  37           H        GLY  37   0.088  10.385   2.590
  291   1HA   GLY  37          2HA       GLY  37  -1.522  10.555   4.202
  292   2HA   GLY  37          1HA       GLY  37  -0.988  12.205   4.339
  293    H    CYS  38           H        CYS  38  -2.320  11.269   1.347
  294    HA   CYS  38           HA       CYS  38  -4.537  13.051   1.652
  295   1HB   CYS  38          2HB       CYS  38  -3.233  11.676  -0.506
  296   2HB   CYS  38          1HB       CYS  38  -4.971  11.420  -0.598
  297    H    ARG  39           H        ARG  39  -6.581  11.846   0.442
  298    HA   ARG  39           HA       ARG  39  -8.164  10.903   2.291
  299   1HB   ARG  39          2HB       ARG  39  -8.395  11.155  -0.376
  300   2HB   ARG  39          1HB       ARG  39  -8.492   9.407  -0.219
  301   1HG   ARG  39          2HG       ARG  39 -10.181  10.391   1.762
  302   2HG   ARG  39          1HG       ARG  39 -10.471  11.420   0.359
  303   1HD   ARG  39          2HD       ARG  39 -11.967   9.679   0.037
  304   2HD   ARG  39          1HD       ARG  39 -10.591   9.200  -0.954
  305    HE   ARG  39           HE       ARG  39 -10.094   8.007   1.425
  306   1HH1  ARG  39          1HH1      ARG  39 -12.848   8.029  -0.717
  307   2HH1  ARG  39          2HH1      ARG  39 -13.364   6.437  -0.274
  308   1HH2  ARG  39          1HH2      ARG  39 -10.771   5.912   2.011
  309   2HH2  ARG  39          2HH2      ARG  39 -12.185   5.235   1.275
  310    H    ALA  40           H        ALA  40  -5.600   9.004   0.934
  311    HA   ALA  40           HA       ALA  40  -4.775   6.949   1.444
  312   1HB   ALA  40          1HB       ALA  40  -5.915   7.930   3.849
  313   2HB   ALA  40          2HB       ALA  40  -4.598   6.775   3.647
  314   3HB   ALA  40          3HB       ALA  40  -6.264   6.205   3.744
  315    H    LYS  41           H        LYS  41  -5.202   4.774   1.085
  316    HA   LYS  41           HA       LYS  41  -7.995   4.154   0.389
  317   1HB   LYS  41          2HB       LYS  41  -5.437   3.638  -1.016
  318   2HB   LYS  41          1HB       LYS  41  -6.622   2.345  -1.070
  319   1HG   LYS  41          2HG       LYS  41  -7.044   5.181  -1.981
  320   2HG   LYS  41          1HG       LYS  41  -6.801   3.772  -3.012
  321   1HD   LYS  41          2HD       LYS  41  -8.888   2.864  -2.462
  322   2HD   LYS  41          1HD       LYS  41  -9.073   3.908  -1.054
  323   1HE   LYS  41          2HE       LYS  41  -8.842   5.115  -3.776
  324   2HE   LYS  41          1HE       LYS  41 -10.379   4.427  -3.253
  325   1HZ   LYS  41          1HZ       LYS  41  -9.343   6.066  -1.209
  326   2HZ   LYS  41          2HZ       LYS  41 -10.779   6.248  -2.083
  327   3HZ   LYS  41          3HZ       LYS  41  -9.346   6.938  -2.660
  328    H    ARG  42           H        ARG  42  -7.753   1.435  -0.015
  329    HA   ARG  42           HA       ARG  42  -7.550   0.500   2.733
  330   1HB   ARG  42          2HB       ARG  42  -8.386  -1.170   0.372
  331   2HB   ARG  42          1HB       ARG  42  -8.845  -1.349   2.066
  332   1HG   ARG  42          2HG       ARG  42 -10.074   0.826   1.867
  333   2HG   ARG  42          1HG       ARG  42  -9.756   0.772   0.132
  334   1HD   ARG  42          2HD       ARG  42 -10.963  -1.632   1.381
  335   2HD   ARG  42          1HD       ARG  42 -11.981  -0.203   1.212
  336    HE   ARG  42           HE       ARG  42 -10.546  -1.256  -1.121
  337   1HH1  ARG  42          1HH1      ARG  42 -13.568  -0.556   0.496
  338   2HH1  ARG  42          2HH1      ARG  42 -14.522  -0.798  -0.927
  339   1HH2  ARG  42          1HH2      ARG  42 -11.809  -1.573  -2.983
  340   2HH2  ARG  42          2HH2      ARG  42 -13.527  -1.376  -2.897
  341    H    ASN  43           H        ASN  43  -6.010  -0.052  -0.396
  342    HA   ASN  43           HA       ASN  43  -4.314  -2.114   0.758
  343   1HB   ASN  43          2HB       ASN  43  -5.367  -2.221  -1.596
  344   2HB   ASN  43          1HB       ASN  43  -4.111  -1.082  -2.061
  345   1HD2  ASN  43          1HD2      ASN  43  -4.518  -3.741  -3.039
  346   2HD2  ASN  43          2HD2      ASN  43  -3.095  -4.646  -2.663
  347    H    ASN  44           H        ASN  44  -3.585  -0.250   2.197
  348    HA   ASN  44           HA       ASN  44  -0.994   0.581   1.222
  349   1HB   ASN  44          2HB       ASN  44  -1.327   2.813   1.099
  350   2HB   ASN  44          1HB       ASN  44  -3.006   2.356   0.881
  351   1HD2  ASN  44          1HD2      ASN  44  -1.058   4.420   2.409
  352   2HD2  ASN  44          2HD2      ASN  44  -2.017   4.781   3.809
  353    H    PHE  45           H        PHE  45   0.011  -0.650   2.727
  354    HA   PHE  45           HA       PHE  45  -0.718  -0.446   5.533
  355   1HB   PHE  45          2HB       PHE  45   1.627  -1.995   4.448
  356   2HB   PHE  45          1HB       PHE  45   0.688  -2.300   5.907
  357    HD1  PHE  45           1HD      PHE  45  -1.649  -3.167   5.689
  358    HD2  PHE  45           2HD      PHE  45   1.019  -2.932   2.383
  359    HE1  PHE  45           1HE      PHE  45  -3.072  -4.732   4.433
  360    HE2  PHE  45           2HE      PHE  45  -0.396  -4.502   1.123
  361    HZ   PHE  45           HZ       PHE  45  -2.447  -5.403   2.147
  362    H    LYS  46           H        LYS  46   0.958  -0.052   7.165
  363    HA   LYS  46           HA       LYS  46   2.592   2.227   6.381
  364   1HB   LYS  46          2HB       LYS  46   1.747   1.082   9.033
  365   2HB   LYS  46          1HB       LYS  46   2.996   2.314   8.919
  366   1HG   LYS  46          2HG       LYS  46   1.181   3.583   7.516
  367   2HG   LYS  46          1HG       LYS  46   0.077   2.516   8.386
  368   1HD   LYS  46          2HD       LYS  46   2.132   3.838  10.033
  369   2HD   LYS  46          1HD       LYS  46   0.922   4.908   9.319
  370   1HE   LYS  46          2HE       LYS  46  -0.806   3.967  10.497
  371   2HE   LYS  46          1HE       LYS  46   0.004   2.409  10.652
  372   1HZ   LYS  46          1HZ       LYS  46   0.430   3.074  12.723
  373   2HZ   LYS  46          2HZ       LYS  46   0.083   4.696  12.393
  374   3HZ   LYS  46          3HZ       LYS  46   1.616   4.074  12.046
  375    H    SER  47           H        SER  47   2.979  -1.120   6.917
  376    HA   SER  47           HA       SER  47   5.866  -0.807   6.714
  377   1HB   SER  47          2HB       SER  47   5.673  -2.851   8.580
  378   2HB   SER  47          1HB       SER  47   6.197  -1.199   8.896
  379    HG   SER  47           HG       SER  47   4.556  -1.402  10.265
  380    H    ALA  48           H        ALA  48   6.974  -2.675   6.023
  381    HA   ALA  48           HA       ALA  48   5.671  -4.174   4.061
  382   1HB   ALA  48          1HB       ALA  48   8.182  -5.117   5.403
  383   2HB   ALA  48          2HB       ALA  48   8.177  -3.697   4.357
  384   3HB   ALA  48          3HB       ALA  48   7.703  -5.269   3.713
  385    H    GLU  49           H        GLU  49   6.163  -4.766   7.466
  386    HA   GLU  49           HA       GLU  49   5.593  -7.537   7.456
  387   1HB   GLU  49          2HB       GLU  49   6.286  -5.605   9.377
  388   2HB   GLU  49          1HB       GLU  49   4.732  -6.242   9.896
  389   1HG   GLU  49          2HG       GLU  49   5.754  -8.550   9.579
  390   2HG   GLU  49          1HG       GLU  49   7.306  -7.719   9.480
  391    H    ASP  50           H        ASP  50   3.558  -4.674   7.985
  392    HA   ASP  50           HA       ASP  50   1.151  -6.060   8.455
  393   1HB   ASP  50          2HB       ASP  50   1.942  -3.297   7.810
  394   2HB   ASP  50          1HB       ASP  50   0.338  -3.738   7.228
  395    H    CYS  51           H        CYS  51   2.773  -4.975   5.537
  396    HA   CYS  51           HA       CYS  51   0.760  -5.550   3.659
  397   1HB   CYS  51          2HB       CYS  51   3.143  -4.392   3.463
  398   2HB   CYS  51          1HB       CYS  51   3.652  -6.016   3.023
  399    H    LEU  52           H        LEU  52   3.680  -7.427   4.425
  400    HA   LEU  52           HA       LEU  52   2.973  -9.757   3.087
  401   1HB   LEU  52          2HB       LEU  52   4.683  -9.351   5.541
  402   2HB   LEU  52          1HB       LEU  52   4.524 -10.901   4.739
  403    HG   LEU  52           HG       LEU  52   5.563  -8.408   3.393
  404   1HD1  LEU  52          1HD1      LEU  52   7.186  -8.899   5.003
  405   2HD1  LEU  52          2HD1      LEU  52   7.760  -9.705   3.544
  406   3HD1  LEU  52          3HD1      LEU  52   6.974 -10.640   4.817
  407   1HD2  LEU  52          1HD2      LEU  52   5.408 -11.300   2.576
  408   2HD2  LEU  52          2HD2      LEU  52   6.429 -10.114   1.762
  409   3HD2  LEU  52          3HD2      LEU  52   4.677  -9.906   1.779
  410    H    ARG  53           H        ARG  53   2.005  -8.566   6.217
  411    HA   ARG  53           HA       ARG  53   0.887 -10.998   7.178
  412   1HB   ARG  53          2HB       ARG  53   1.495  -8.904   8.528
  413   2HB   ARG  53          1HB       ARG  53  -0.023  -8.230   7.953
  414   1HG   ARG  53          2HG       ARG  53  -1.244 -10.062   8.999
  415   2HG   ARG  53          1HG       ARG  53   0.277 -10.758   9.561
  416   1HD   ARG  53          2HD       ARG  53  -0.149  -7.937  10.271
  417   2HD   ARG  53          1HD       ARG  53  -1.273  -9.073  11.014
  418    HE   ARG  53           HE       ARG  53   1.545  -8.800  11.559
  419   1HH1  ARG  53          1HH1      ARG  53  -1.240 -10.895  11.764
  420   2HH1  ARG  53          2HH1      ARG  53  -0.587 -11.841  13.059
  421   1HH2  ARG  53          1HH2      ARG  53   2.403 -10.044  13.262
  422   2HH2  ARG  53          2HH2      ARG  53   1.480 -11.358  13.910
  423    H    THR  54           H        THR  54  -0.228  -8.383   5.144
  424    HA   THR  54           HA       THR  54  -2.981  -9.278   5.170
  425    HB   THR  54           HB       THR  54  -1.543  -7.140   3.590
  426    HG1  THR  54           1HG      THR  54  -1.849  -6.645   5.760
  427   1HG2  THR  54          1HG2      THR  54  -3.318  -7.635   2.169
  428   2HG2  THR  54          2HG2      THR  54  -3.933  -6.326   3.178
  429   3HG2  THR  54          3HG2      THR  54  -4.413  -7.991   3.506
  430    H    CYS  55           H        CYS  55  -0.518  -8.954   2.565
  431    HA   CYS  55           HA       CYS  55  -1.754 -11.297   1.290
  432   1HB   CYS  55          2HB       CYS  55  -1.708  -8.614   0.383
  433   2HB   CYS  55          1HB       CYS  55  -0.675  -9.551  -0.693
  434    H    GLY  56           H        GLY  56   0.614 -11.226   2.955
  435   1HA   GLY  56          2HA       GLY  56   2.897 -11.342   1.177
  436   2HA   GLY  56          1HA       GLY  56   2.900 -11.688   2.899
  437    H    GLY  57           H        GLY  57   1.652 -13.763   3.478
  438   1HA   GLY  57          2HA       GLY  57   1.461 -15.823   1.520
  439   2HA   GLY  57          1HA       GLY  57   2.967 -15.951   2.417
  440    H    ALA  58           H        ALA  58  -0.542 -15.941   2.710
  441    HA   ALA  58           HA       ALA  58  -0.350 -17.838   4.898
  442   1HB   ALA  58          1HB       ALA  58  -1.246 -15.038   5.252
  443   2HB   ALA  58          2HB       ALA  58  -0.463 -16.133   6.391
  444   3HB   ALA  58          3HB       ALA  58  -2.187 -16.291   6.060
  Start of MODEL    3
    1   1H    ARG   1          1HT       ARG   1  -5.277 -15.392  -2.735
    2   2H    ARG   1          2HT       ARG   1  -6.713 -14.869  -3.517
    3   3H    ARG   1          3HT       ARG   1  -6.709 -15.150  -1.824
    4    HA   ARG   1           HA       ARG   1  -5.135 -13.375  -1.534
    5   1HB   ARG   1          2HB       ARG   1  -5.614 -12.946  -4.490
    6   2HB   ARG   1          1HB       ARG   1  -4.648 -11.916  -3.444
    7   1HG   ARG   1          2HG       ARG   1  -3.191 -13.934  -3.012
    8   2HG   ARG   1          1HG       ARG   1  -4.060 -14.723  -4.329
    9   1HD   ARG   1          2HD       ARG   1  -3.209 -12.098  -5.131
   10   2HD   ARG   1          1HD       ARG   1  -1.841 -13.018  -4.510
   11    HE   ARG   1           HE       ARG   1  -3.606 -14.075  -6.620
   12   1HH1  ARG   1          1HH1      ARG   1  -0.403 -13.352  -5.408
   13   2HH1  ARG   1          2HH1      ARG   1   0.399 -14.144  -6.720
   14   1HH2  ARG   1          1HH2      ARG   1  -2.540 -15.107  -8.340
   15   2HH2  ARG   1          2HH2      ARG   1  -0.808 -15.135  -8.382
   16    HA   PRO   2           HA       PRO   2  -9.110 -11.565  -0.493
   17   1HB   PRO   2          2HB       PRO   2  -7.319  -9.321   0.264
   18   2HB   PRO   2          1HB       PRO   2  -8.614 -10.085   1.194
   19   1HG   PRO   2          2HG       PRO   2  -6.042 -10.561   1.729
   20   2HG   PRO   2          1HG       PRO   2  -7.268 -11.838   1.863
   21   1HD   PRO   2          2HD       PRO   2  -5.178 -11.433  -0.212
   22   2HD   PRO   2          1HD       PRO   2  -5.911 -12.937   0.378
   23    H    ASP   3           H        ASP   3 -10.466 -10.070  -1.404
   24    HA   ASP   3           HA       ASP   3 -10.005  -9.163  -3.975
   25   1HB   ASP   3          2HB       ASP   3 -12.019  -8.589  -1.872
   26   2HB   ASP   3          1HB       ASP   3 -11.920  -7.440  -3.204
   27    H    PHE   4           H        PHE   4  -9.770  -7.315  -0.936
   28    HA   PHE   4           HA       PHE   4  -9.170  -4.841  -2.043
   29   1HB   PHE   4          2HB       PHE   4  -8.413  -4.234   0.155
   30   2HB   PHE   4          1HB       PHE   4  -9.820  -5.267   0.313
   31    HD1  PHE   4           1HD      PHE   4  -9.735  -7.210   1.580
   32    HD2  PHE   4           2HD      PHE   4  -6.115  -5.266   0.481
   33    HE1  PHE   4           1HE      PHE   4  -8.483  -8.711   3.069
   34    HE2  PHE   4           2HE      PHE   4  -4.855  -6.766   1.973
   35    HZ   PHE   4           HZ       PHE   4  -6.041  -8.497   3.262
   36    H    CYS   5           H        CYS   5  -7.119  -7.642  -1.617
   37    HA   CYS   5           HA       CYS   5  -4.624  -6.363  -1.598
   38   1HB   CYS   5          2HB       CYS   5  -5.514  -9.090  -2.480
   39   2HB   CYS   5          1HB       CYS   5  -3.854  -8.571  -2.735
   40    H    LEU   6           H        LEU   6  -6.897  -6.891  -4.154
   41    HA   LEU   6           HA       LEU   6  -4.973  -6.234  -6.236
   42   1HB   LEU   6          2HB       LEU   6  -7.934  -6.509  -6.642
   43   2HB   LEU   6          1HB       LEU   6  -6.641  -6.782  -7.794
   44    HG   LEU   6           HG       LEU   6  -6.634  -8.573  -5.449
   45   1HD1  LEU   6          1HD1      LEU   6  -8.826  -9.008  -5.567
   46   2HD1  LEU   6          2HD1      LEU   6  -8.391  -9.914  -7.015
   47   3HD1  LEU   6          3HD1      LEU   6  -8.994  -8.263  -7.157
   48   1HD2  LEU   6          1HD2      LEU   6  -5.140  -8.612  -7.537
   49   2HD2  LEU   6          2HD2      LEU   6  -6.545  -9.299  -8.355
   50   3HD2  LEU   6          3HD2      LEU   6  -5.828 -10.136  -6.978
   51    H    GLU   7           H        GLU   7  -5.760  -4.283  -4.106
   52    HA   GLU   7           HA       GLU   7  -7.064  -2.212  -5.721
   53   1HB   GLU   7          2HB       GLU   7  -7.686  -2.929  -3.240
   54   2HB   GLU   7          1HB       GLU   7  -6.393  -1.807  -2.842
   55   1HG   GLU   7          2HG       GLU   7  -7.787  -0.282  -4.541
   56   2HG   GLU   7          1HG       GLU   7  -9.088  -1.296  -3.922
   57    HA   PRO   8           HA       PRO   8  -3.009  -0.417  -6.267
   58   1HB   PRO   8          2HB       PRO   8  -3.760   1.852  -7.525
   59   2HB   PRO   8          1HB       PRO   8  -3.768   0.276  -8.326
   60   1HG   PRO   8          2HG       PRO   8  -6.042   1.797  -7.114
   61   2HG   PRO   8          1HG       PRO   8  -5.983   0.904  -8.644
   62   1HD   PRO   8          2HD       PRO   8  -7.091  -0.105  -6.372
   63   2HD   PRO   8          1HD       PRO   8  -6.337  -1.123  -7.618
   64    HA   PRO   9           HA       PRO   9  -2.467   2.335  -2.855
   65   1HB   PRO   9          2HB       PRO   9  -0.307   3.760  -3.712
   66   2HB   PRO   9          1HB       PRO   9  -0.207   2.104  -3.112
   67   1HG   PRO   9          2HG       PRO   9  -0.293   3.092  -5.938
   68   2HG   PRO   9          1HG       PRO   9   0.741   1.838  -5.219
   69   1HD   PRO   9          2HD       PRO   9  -1.444   1.224  -6.664
   70   2HD   PRO   9          1HD       PRO   9  -0.942   0.249  -5.264
   71    H    TYR  10           H        TYR  10  -3.087   4.348  -2.191
   72    HA   TYR  10           HA       TYR  10  -3.950   6.235  -4.294
   73   1HB   TYR  10          2HB       TYR  10  -5.526   5.033  -2.455
   74   2HB   TYR  10          1HB       TYR  10  -5.088   6.491  -1.574
   75    HD1  TYR  10           1HD      TYR  10  -6.382   8.388  -1.872
   76    HD2  TYR  10           2HD      TYR  10  -6.337   5.434  -4.934
   77    HE1  TYR  10           1HE      TYR  10  -8.084   9.657  -3.112
   78    HE2  TYR  10           2HE      TYR  10  -8.039   6.696  -6.184
   79    HH   TYR  10           HH       TYR  10  -8.940   9.903  -5.342
   80    H    THR  11           H        THR  11  -1.935   7.298  -4.365
   81    HA   THR  11           HA       THR  11  -0.625   8.387  -2.095
   82    HB   THR  11           HB       THR  11  -0.506   9.290  -4.987
   83    HG1  THR  11           1HG      THR  11   0.824   7.243  -3.581
   84   1HG2  THR  11          1HG2      THR  11   0.697  10.934  -3.994
   85   2HG2  THR  11          2HG2      THR  11   1.954   9.708  -4.151
   86   3HG2  THR  11          3HG2      THR  11   1.132   9.936  -2.607
   87    H    GLY  12           H        GLY  12  -3.487   9.314  -3.695
   88   1HA   GLY  12          2HA       GLY  12  -4.857  11.107  -3.568
   89   2HA   GLY  12          1HA       GLY  12  -4.089  11.377  -2.016
   90    HA   PRO  13           HA       PRO  13  -2.957  14.703  -5.243
   91   1HB   PRO  13          2HB       PRO  13  -4.581  16.720  -4.476
   92   2HB   PRO  13          1HB       PRO  13  -5.075  15.500  -5.655
   93   1HG   PRO  13          2HG       PRO  13  -5.703  15.675  -2.734
   94   2HG   PRO  13          1HG       PRO  13  -6.775  15.267  -4.086
   95   1HD   PRO  13          2HD       PRO  13  -5.666  13.390  -2.464
   96   2HD   PRO  13          1HD       PRO  13  -6.045  13.087  -4.174
   97    H    CYS  14           H        CYS  14  -3.068  14.338  -1.873
   98    HA   CYS  14           HA       CYS  14  -2.156  16.770  -0.892
   99   1HB   CYS  14          2HB       CYS  14  -1.843  13.931  -0.010
  100   2HB   CYS  14          1HB       CYS  14  -0.906  15.190   0.795
  101    H    ARG  15           H        ARG  15   0.107  16.976   0.131
  102    HA   ARG  15           HA       ARG  15   2.106  16.396  -1.958
  103   1HB   ARG  15          2HB       ARG  15   1.251  18.915  -0.808
  104   2HB   ARG  15          1HB       ARG  15   2.982  18.679  -0.614
  105   1HG   ARG  15          2HG       ARG  15   3.344  19.181  -2.739
  106   2HG   ARG  15          1HG       ARG  15   2.195  17.954  -3.273
  107   1HD   ARG  15          2HD       ARG  15   0.720  19.517  -3.828
  108   2HD   ARG  15          1HD       ARG  15   0.771  20.197  -2.202
  109    HE   ARG  15           HE       ARG  15   2.995  21.211  -3.303
  110   1HH1  ARG  15          1HH1      ARG  15  -0.303  21.066  -4.440
  111   2HH1  ARG  15          2HH1      ARG  15  -0.177  22.523  -5.367
  112   1HH2  ARG  15          1HH2      ARG  15   3.159  23.128  -4.522
  113   2HH2  ARG  15          2HH2      ARG  15   1.785  23.693  -5.414
  114    H    VAL  16           H        VAL  16   1.594  14.794   0.411
  115    HA   VAL  16           HA       VAL  16   3.874  15.355   2.148
  116    HB   VAL  16           HB       VAL  16   2.241  12.881   2.494
  117   1HG1  VAL  16          1HG1      VAL  16   3.993  14.598   4.078
  118   2HG1  VAL  16          2HG1      VAL  16   3.610  12.887   4.262
  119   3HG1  VAL  16          3HG1      VAL  16   2.524  14.109   4.924
  120   1HG2  VAL  16          1HG2      VAL  16   0.622  14.757   2.021
  121   2HG2  VAL  16          2HG2      VAL  16   1.240  15.552   3.468
  122   3HG2  VAL  16          3HG2      VAL  16   0.443  13.981   3.595
  123    H    ARG  17           H        ARG  17   5.009  13.123   2.845
  124    HA   ARG  17           HA       ARG  17   5.637  11.549   0.454
  125   1HB   ARG  17          2HB       ARG  17   7.359  13.508   1.655
  126   2HB   ARG  17          1HB       ARG  17   8.072  11.915   1.858
  127   1HG   ARG  17          2HG       ARG  17   8.723  11.876  -0.256
  128   2HG   ARG  17          1HG       ARG  17   7.082  12.202  -0.817
  129   1HD   ARG  17          2HD       ARG  17   8.475  13.951  -1.635
  130   2HD   ARG  17          1HD       ARG  17   7.492  14.622  -0.334
  131    HE   ARG  17           HE       ARG  17  10.152  13.679   0.377
  132   1HH1  ARG  17          1HH1      ARG  17   8.092  16.392  -0.401
  133   2HH1  ARG  17          2HH1      ARG  17   9.150  17.556   0.320
  134   1HH2  ARG  17          1HH2      ARG  17  11.541  15.214   1.320
  135   2HH2  ARG  17          2HH2      ARG  17  11.106  16.890   1.296
  136    H    ILE  18           H        ILE  18   4.262  10.059   1.663
  137    HA   ILE  18           HA       ILE  18   5.578   8.803   3.971
  138    HB   ILE  18           HB       ILE  18   2.719   8.659   3.009
  139   1HG1  ILE  18          2HG1      ILE  18   4.029   9.950   5.405
  140   2HG1  ILE  18          1HG1      ILE  18   3.170  10.752   4.094
  141   1HG2  ILE  18          1HG2      ILE  18   3.382   7.549   5.649
  142   2HG2  ILE  18          2HG2      ILE  18   3.950   6.612   4.271
  143   3HG2  ILE  18          3HG2      ILE  18   2.236   6.990   4.431
  144   1HD1  ILE  18          1HD1      ILE  18   2.156   9.820   6.564
  145   2HD1  ILE  18          2HD1      ILE  18   1.402   8.880   5.277
  146   3HD1  ILE  18          3HD1      ILE  18   1.298  10.641   5.260
  147    H    ILE  19           H        ILE  19   6.788   7.101   3.453
  148    HA   ILE  19           HA       ILE  19   6.445   5.633   1.029
  149    HB   ILE  19           HB       ILE  19   8.155   5.023   3.445
  150   1HG1  ILE  19          2HG1      ILE  19   8.658   7.202   2.370
  151   2HG1  ILE  19          1HG1      ILE  19   9.985   6.053   2.240
  152   1HG2  ILE  19          1HG2      ILE  19   9.014   4.033   0.825
  153   2HG2  ILE  19          2HG2      ILE  19   7.527   3.302   1.426
  154   3HG2  ILE  19          3HG2      ILE  19   8.998   3.229   2.395
  155   1HD1  ILE  19          1HD1      ILE  19   9.296   7.488   0.194
  156   2HD1  ILE  19          2HD1      ILE  19   8.015   6.288   0.015
  157   3HD1  ILE  19          3HD1      ILE  19   9.705   5.787  -0.025
  158    H    ARG  20           H        ARG  20   4.298   4.885   1.225
  159    HA   ARG  20           HA       ARG  20   3.628   3.099   3.407
  160   1HB   ARG  20          2HB       ARG  20   2.137   4.279   1.112
  161   2HB   ARG  20          1HB       ARG  20   1.491   2.844   1.888
  162   1HG   ARG  20          2HG       ARG  20   2.152   5.417   3.300
  163   2HG   ARG  20          1HG       ARG  20   0.540   4.940   2.763
  164   1HD   ARG  20          2HD       ARG  20   0.290   3.427   4.428
  165   2HD   ARG  20          1HD       ARG  20   1.992   2.975   4.416
  166    HE   ARG  20           HE       ARG  20   2.459   4.730   5.890
  167   1HH1  ARG  20          1HH1      ARG  20  -0.939   4.624   5.071
  168   2HH1  ARG  20          2HH1      ARG  20  -1.412   5.632   6.396
  169   1HH2  ARG  20          1HH2      ARG  20   1.830   6.051   7.628
  170   2HH2  ARG  20          2HH2      ARG  20   0.156   6.440   7.846
  171    H    TYR  21           H        TYR  21   2.429   1.019   2.755
  172    HA   TYR  21           HA       TYR  21   4.054  -0.394   0.738
  173   1HB   TYR  21          2HB       TYR  21   3.020  -1.258   3.433
  174   2HB   TYR  21          1HB       TYR  21   3.532  -2.428   2.222
  175    HD1  TYR  21           1HD      TYR  21   4.582  -0.132   4.787
  176    HD2  TYR  21           2HD      TYR  21   5.932  -2.398   1.448
  177    HE1  TYR  21           1HE      TYR  21   6.896   0.073   5.590
  178    HE2  TYR  21           2HE      TYR  21   8.250  -2.196   2.243
  179    HH   TYR  21           HH       TYR  21   9.030  -1.068   5.363
  180    H    PHE  22           H        PHE  22   3.006  -1.894  -0.593
  181    HA   PHE  22           HA       PHE  22   0.181  -2.421  -0.213
  182   1HB   PHE  22          2HB       PHE  22  -0.622  -1.527  -2.226
  183   2HB   PHE  22          1HB       PHE  22   0.386  -0.266  -1.550
  184    HD1  PHE  22           1HD      PHE  22  -0.361  -2.121  -4.429
  185    HD2  PHE  22           2HD      PHE  22   2.882  -0.254  -2.396
  186    HE1  PHE  22           1HE      PHE  22   0.913  -2.053  -6.533
  187    HE2  PHE  22           2HE      PHE  22   4.161  -0.182  -4.499
  188    HZ   PHE  22           HZ       PHE  22   3.178  -1.088  -6.570
  189    H    TYR  23           H        TYR  23  -0.625  -3.825  -2.082
  190    HA   TYR  23           HA       TYR  23   1.425  -5.892  -2.561
  191   1HB   TYR  23          2HB       TYR  23  -0.595  -6.635  -1.391
  192   2HB   TYR  23          1HB       TYR  23  -1.597  -6.060  -2.729
  193    HD1  TYR  23           1HD      TYR  23   1.306  -8.337  -2.112
  194    HD2  TYR  23           2HD      TYR  23  -2.245  -7.592  -4.333
  195    HE1  TYR  23           1HE      TYR  23   1.565 -10.504  -3.245
  196    HE2  TYR  23           2HE      TYR  23  -1.997  -9.758  -5.469
  197    HH   TYR  23           HH       TYR  23   0.827 -11.542  -5.427
  198    H    ASN  24           H        ASN  24   2.454  -5.366  -4.433
  199    HA   ASN  24           HA       ASN  24   1.109  -4.276  -6.704
  200   1HB   ASN  24          2HB       ASN  24   3.531  -3.919  -6.078
  201   2HB   ASN  24          1HB       ASN  24   3.842  -5.573  -6.624
  202   1HD2  ASN  24          1HD2      ASN  24   4.301  -2.576  -7.522
  203   2HD2  ASN  24          2HD2      ASN  24   4.086  -2.696  -9.253
  204    H    ALA  25           H        ALA  25  -0.026  -5.352  -8.196
  205    HA   ALA  25           HA       ALA  25  -0.105  -8.242  -8.130
  206   1HB   ALA  25          1HB       ALA  25  -2.214  -7.220  -8.300
  207   2HB   ALA  25          2HB       ALA  25  -1.893  -7.902  -9.894
  208   3HB   ALA  25          3HB       ALA  25  -1.691  -6.172  -9.619
  209    H    LYS  26           H        LYS  26   2.150  -6.472  -9.415
  210    HA   LYS  26           HA       LYS  26   2.264  -7.923 -11.984
  211   1HB   LYS  26          2HB       LYS  26   3.488  -5.301 -11.117
  212   2HB   LYS  26          1HB       LYS  26   4.072  -6.180 -12.520
  213   1HG   LYS  26          2HG       LYS  26   1.475  -6.116 -13.126
  214   2HG   LYS  26          1HG       LYS  26   1.571  -4.655 -12.141
  215   1HD   LYS  26          2HD       LYS  26   3.081  -3.629 -13.586
  216   2HD   LYS  26          1HD       LYS  26   3.568  -5.161 -14.316
  217   1HE   LYS  26          2HE       LYS  26   0.732  -4.313 -14.596
  218   2HE   LYS  26          1HE       LYS  26   1.947  -3.469 -15.555
  219   1HZ   LYS  26          1HZ       LYS  26   0.778  -5.952 -16.059
  220   2HZ   LYS  26          2HZ       LYS  26   2.414  -6.231 -15.733
  221   3HZ   LYS  26          3HZ       LYS  26   1.969  -5.158 -16.963
  222    H    ALA  27           H        ALA  27   4.012  -6.913  -9.116
  223    HA   ALA  27           HA       ALA  27   6.207  -8.744  -9.702
  224   1HB   ALA  27          1HB       ALA  27   5.800  -6.644  -7.581
  225   2HB   ALA  27          2HB       ALA  27   6.946  -6.631  -8.922
  226   3HB   ALA  27          3HB       ALA  27   7.169  -7.756  -7.582
  227    H    GLY  28           H        GLY  28   3.222  -8.759  -8.117
  228   1HA   GLY  28          2HA       GLY  28   2.178 -10.346  -6.878
  229   2HA   GLY  28          1HA       GLY  28   3.580 -11.325  -7.172
  230    H    LEU  29           H        LEU  29   4.700  -8.611  -5.868
  231    HA   LEU  29           HA       LEU  29   4.551  -9.652  -3.120
  232   1HB   LEU  29          2HB       LEU  29   6.868  -8.261  -4.468
  233   2HB   LEU  29          1HB       LEU  29   6.819  -8.722  -2.777
  234    HG   LEU  29           HG       LEU  29   6.594 -10.725  -5.016
  235   1HD1  LEU  29          1HD1      LEU  29   8.721 -10.113  -5.461
  236   2HD1  LEU  29          2HD1      LEU  29   9.065 -11.125  -4.058
  237   3HD1  LEU  29          3HD1      LEU  29   8.956  -9.374  -3.877
  238   1HD2  LEU  29          1HD2      LEU  29   5.988 -11.009  -2.397
  239   2HD2  LEU  29          2HD2      LEU  29   7.700 -11.434  -2.386
  240   3HD2  LEU  29          3HD2      LEU  29   6.578 -12.315  -3.423
  241    H    CYS  30           H        CYS  30   5.210  -7.864  -1.494
  242    HA   CYS  30           HA       CYS  30   3.472  -5.620  -2.005
  243   1HB   CYS  30          2HB       CYS  30   4.765  -6.853   0.374
  244   2HB   CYS  30          1HB       CYS  30   4.353  -5.144   0.466
  245    H    GLN  31           H        GLN  31   4.138  -3.661  -2.622
  246    HA   GLN  31           HA       GLN  31   7.008  -3.047  -2.373
  247   1HB   GLN  31          2HB       GLN  31   5.120  -2.093  -4.528
  248   2HB   GLN  31          1HB       GLN  31   6.838  -1.741  -4.424
  249   1HG   GLN  31          2HG       GLN  31   5.903  -4.572  -4.551
  250   2HG   GLN  31          1HG       GLN  31   5.985  -3.599  -6.018
  251   1HE2  GLN  31          1HE2      GLN  31   7.604  -4.897  -6.880
  252   2HE2  GLN  31          2HE2      GLN  31   9.231  -4.841  -6.305
  253    H    THR  32           H        THR  32   7.426  -0.625  -2.528
  254    HA   THR  32           HA       THR  32   5.583   0.717  -0.679
  255    HB   THR  32           HB       THR  32   7.533   2.195  -0.179
  256    HG1  THR  32           1HG      THR  32   9.518   1.676  -1.009
  257   1HG2  THR  32          1HG2      THR  32   8.850   0.617   1.080
  258   2HG2  THR  32          2HG2      THR  32   8.157  -0.726   0.171
  259   3HG2  THR  32          3HG2      THR  32   7.135   0.241   1.233
  260    H    PHE  33           H        PHE  33   5.349   3.075  -0.883
  261    HA   PHE  33           HA       PHE  33   5.973   4.264  -3.444
  262   1HB   PHE  33          2HB       PHE  33   3.657   4.844  -4.030
  263   2HB   PHE  33          1HB       PHE  33   3.915   3.107  -4.033
  264    HD1  PHE  33           1HD      PHE  33   1.675   5.553  -3.183
  265    HD2  PHE  33           2HD      PHE  33   3.444   2.038  -1.576
  266    HE1  PHE  33           1HE      PHE  33  -0.236   5.296  -1.655
  267    HE2  PHE  33           2HE      PHE  33   1.537   1.771  -0.049
  268    HZ   PHE  33           HZ       PHE  33  -0.305   3.401  -0.085
  269    H    VAL  34           H        VAL  34   5.202   6.540  -3.564
  270    HA   VAL  34           HA       VAL  34   5.694   7.816  -1.008
  271    HB   VAL  34           HB       VAL  34   5.419   9.103  -3.723
  272   1HG1  VAL  34          1HG1      VAL  34   7.100  10.665  -2.266
  273   2HG1  VAL  34          2HG1      VAL  34   5.992  10.091  -1.018
  274   3HG1  VAL  34          3HG1      VAL  34   5.366  10.943  -2.431
  275   1HG2  VAL  34          1HG2      VAL  34   7.865   8.067  -2.300
  276   2HG2  VAL  34          2HG2      VAL  34   7.911   9.132  -3.706
  277   3HG2  VAL  34          3HG2      VAL  34   7.213   7.518  -3.844
  278    H    TYR  35           H        TYR  35   3.576   7.162  -0.202
  279    HA   TYR  35           HA       TYR  35   1.175   8.253  -1.291
  280   1HB   TYR  35          2HB       TYR  35   0.870   6.336   0.011
  281   2HB   TYR  35          1HB       TYR  35   1.925   6.917   1.289
  282    HD1  TYR  35           1HD      TYR  35  -0.989   8.530  -0.302
  283    HD2  TYR  35           2HD      TYR  35   0.675   6.886   3.190
  284    HE1  TYR  35           1HE      TYR  35  -2.958   9.292   0.970
  285    HE2  TYR  35           2HE      TYR  35  -1.278   7.611   4.495
  286    HH   TYR  35           HH       TYR  35  -3.133   8.908   4.464
  287    H    GLY  36           H        GLY  36   0.009  10.120  -0.671
  288   1HA   GLY  36          2HA       GLY  36   1.645  12.051   0.816
  289   2HA   GLY  36          1HA       GLY  36   0.452  12.475  -0.388
  290    H    GLY  37           H        GLY  37  -0.260  10.181   2.210
  291   1HA   GLY  37          2HA       GLY  37  -1.738  10.357   3.953
  292   2HA   GLY  37          1HA       GLY  37  -1.170  11.993   4.094
  293    H    CYS  38           H        CYS  38  -2.622  11.156   1.134
  294    HA   CYS  38           HA       CYS  38  -5.061  12.592   1.945
  295   1HB   CYS  38          2HB       CYS  38  -3.330  12.866  -0.350
  296   2HB   CYS  38          1HB       CYS  38  -4.980  12.531  -0.853
  297    H    ARG  39           H        ARG  39  -6.849  11.453   2.083
  298    HA   ARG  39           HA       ARG  39  -8.276   9.670   2.015
  299   1HB   ARG  39          2HB       ARG  39  -8.699  10.960  -0.099
  300   2HB   ARG  39          1HB       ARG  39  -7.681   9.799  -0.940
  301   1HG   ARG  39          2HG       ARG  39 -10.104   9.350  -1.156
  302   2HG   ARG  39          1HG       ARG  39  -9.199   8.014  -0.441
  303   1HD   ARG  39          2HD       ARG  39 -10.226   9.921   1.520
  304   2HD   ARG  39          1HD       ARG  39 -11.489   9.126   0.583
  305    HE   ARG  39           HE       ARG  39  -9.742   7.915   2.535
  306   1HH1  ARG  39          1HH1      ARG  39 -11.867   7.361  -0.179
  307   2HH1  ARG  39          2HH1      ARG  39 -12.176   5.710   0.240
  308   1HH2  ARG  39          1HH2      ARG  39 -10.147   5.742   3.086
  309   2HH2  ARG  39          2HH2      ARG  39 -11.200   4.791   2.092
  310    H    ALA  40           H        ALA  40  -6.001   8.629   2.884
  311    HA   ALA  40           HA       ALA  40  -4.667   6.696   1.432
  312   1HB   ALA  40          1HB       ALA  40  -4.913   7.399   4.164
  313   2HB   ALA  40          2HB       ALA  40  -3.659   6.432   3.389
  314   3HB   ALA  40          3HB       ALA  40  -5.099   5.650   4.041
  315    H    LYS  41           H        LYS  41  -5.128   4.706   0.661
  316    HA   LYS  41           HA       LYS  41  -7.876   3.781   0.931
  317   1HB   LYS  41          2HB       LYS  41  -5.628   3.112  -0.944
  318   2HB   LYS  41          1HB       LYS  41  -7.037   2.072  -0.828
  319   1HG   LYS  41          2HG       LYS  41  -7.214   5.012  -1.421
  320   2HG   LYS  41          1HG       LYS  41  -7.079   3.773  -2.672
  321   1HD   LYS  41          2HD       LYS  41  -9.164   2.836  -2.119
  322   2HD   LYS  41          1HD       LYS  41  -9.225   3.680  -0.572
  323   1HE   LYS  41          2HE       LYS  41 -10.455   5.239  -1.574
  324   2HE   LYS  41          1HE       LYS  41  -9.009   5.704  -2.470
  325   1HZ   LYS  41          1HZ       LYS  41 -11.381   4.429  -3.407
  326   2HZ   LYS  41          2HZ       LYS  41 -10.007   3.533  -3.817
  327   3HZ   LYS  41          3HZ       LYS  41 -10.132   5.151  -4.290
  328    H    ARG  42           H        ARG  42  -7.750   1.118   0.599
  329    HA   ARG  42           HA       ARG  42  -7.032   0.215   3.209
  330   1HB   ARG  42          2HB       ARG  42  -7.962  -1.401   0.829
  331   2HB   ARG  42          1HB       ARG  42  -7.958  -1.926   2.516
  332   1HG   ARG  42          2HG       ARG  42  -9.484   0.078   2.952
  333   2HG   ARG  42          1HG       ARG  42  -9.687   0.142   1.201
  334   1HD   ARG  42          2HD       ARG  42 -10.016  -2.538   2.288
  335   2HD   ARG  42          1HD       ARG  42 -11.164  -1.379   2.954
  336    HE   ARG  42           HE       ARG  42 -10.828  -1.550   0.051
  337   1HH1  ARG  42          1HH1      ARG  42 -12.828  -2.049   2.876
  338   2HH1  ARG  42          2HH1      ARG  42 -14.282  -2.242   1.959
  339   1HH2  ARG  42          1HH2      ARG  42 -12.744  -1.807  -1.146
  340   2HH2  ARG  42          2HH2      ARG  42 -14.236  -2.105  -0.320
  341    H    ASN  43           H        ASN  43  -5.717  -0.321  -0.042
  342    HA   ASN  43           HA       ASN  43  -3.713  -2.142   0.948
  343   1HB   ASN  43          2HB       ASN  43  -4.830  -1.939  -1.471
  344   2HB   ASN  43          1HB       ASN  43  -3.443  -0.888  -1.740
  345   1HD2  ASN  43          1HD2      ASN  43  -3.600  -3.050  -3.258
  346   2HD2  ASN  43          2HD2      ASN  43  -2.452  -4.248  -2.776
  347    H    ASN  44           H        ASN  44  -3.268  -0.289   2.532
  348    HA   ASN  44           HA       ASN  44  -0.810   1.019   1.643
  349   1HB   ASN  44          2HB       ASN  44  -3.049   2.488   3.061
  350   2HB   ASN  44          1HB       ASN  44  -1.464   3.152   2.684
  351   1HD2  ASN  44          1HD2      ASN  44  -1.848   4.679   1.239
  352   2HD2  ASN  44          2HD2      ASN  44  -2.730   4.464  -0.240
  353    H    PHE  45           H        PHE  45   0.035  -0.766   2.992
  354    HA   PHE  45           HA       PHE  45  -0.514  -0.647   5.833
  355   1HB   PHE  45          2HB       PHE  45   1.627  -2.285   4.459
  356   2HB   PHE  45          1HB       PHE  45   0.935  -2.545   6.055
  357    HD1  PHE  45           1HD      PHE  45   0.305  -2.806   2.443
  358    HD2  PHE  45           2HD      PHE  45  -1.145  -3.660   6.350
  359    HE1  PHE  45           1HE      PHE  45  -1.405  -4.290   1.479
  360    HE2  PHE  45           2HE      PHE  45  -2.857  -5.145   5.395
  361    HZ   PHE  45           HZ       PHE  45  -2.990  -5.464   2.956
  362    H    LYS  46           H        LYS  46   1.193  -0.370   7.427
  363    HA   LYS  46           HA       LYS  46   2.989   1.793   6.636
  364   1HB   LYS  46          2HB       LYS  46   1.856   0.835   9.232
  365   2HB   LYS  46          1HB       LYS  46   3.352   1.761   9.245
  366   1HG   LYS  46          2HG       LYS  46   1.680   3.213   7.584
  367   2HG   LYS  46          1HG       LYS  46   0.626   2.653   8.884
  368   1HD   LYS  46          2HD       LYS  46   1.557   4.778   9.512
  369   2HD   LYS  46          1HD       LYS  46   2.279   3.526  10.524
  370   1HE   LYS  46          2HE       LYS  46   3.904   3.766   8.229
  371   2HE   LYS  46          1HE       LYS  46   3.559   5.403   8.784
  372   1HZ   LYS  46          1HZ       LYS  46   5.518   3.891   9.764
  373   2HZ   LYS  46          2HZ       LYS  46   4.284   3.504  10.854
  374   3HZ   LYS  46          3HZ       LYS  46   4.756   5.116  10.648
  375    H    SER  47           H        SER  47   3.140  -1.515   6.914
  376    HA   SER  47           HA       SER  47   6.036  -1.430   7.004
  377   1HB   SER  47          2HB       SER  47   5.532  -3.611   8.642
  378   2HB   SER  47          1HB       SER  47   6.159  -2.048   9.150
  379    HG   SER  47           HG       SER  47   4.071  -1.400   9.642
  380    H    ALA  48           H        ALA  48   7.045  -3.242   6.145
  381    HA   ALA  48           HA       ALA  48   5.664  -4.516   4.042
  382   1HB   ALA  48          1HB       ALA  48   7.806  -4.638   3.431
  383   2HB   ALA  48          2HB       ALA  48   7.919  -6.056   4.475
  384   3HB   ALA  48          3HB       ALA  48   8.373  -4.467   5.092
  385    H    GLU  49           H        GLU  49   6.364  -5.436   7.346
  386    HA   GLU  49           HA       GLU  49   5.710  -8.186   7.078
  387   1HB   GLU  49          2HB       GLU  49   6.725  -6.552   9.098
  388   2HB   GLU  49          1HB       GLU  49   5.174  -7.096   9.723
  389   1HG   GLU  49          2HG       GLU  49   6.529  -8.761  10.479
  390   2HG   GLU  49          1HG       GLU  49   6.032  -9.441   8.931
  391    H    ASP  50           H        ASP  50   3.856  -5.341   8.125
  392    HA   ASP  50           HA       ASP  50   1.468  -6.687   8.736
  393   1HB   ASP  50          2HB       ASP  50   2.326  -3.940   8.389
  394   2HB   ASP  50          1HB       ASP  50   0.733  -4.186   7.678
  395    H    CYS  51           H        CYS  51   2.750  -5.357   5.744
  396    HA   CYS  51           HA       CYS  51   0.532  -5.756   4.068
  397   1HB   CYS  51          2HB       CYS  51   2.900  -4.603   3.710
  398   2HB   CYS  51          1HB       CYS  51   3.326  -6.182   3.067
  399    H    LEU  52           H        LEU  52   3.498  -7.716   4.284
  400    HA   LEU  52           HA       LEU  52   2.646  -9.916   2.839
  401   1HB   LEU  52          2HB       LEU  52   4.536  -9.761   5.186
  402   2HB   LEU  52          1HB       LEU  52   4.307 -11.215   4.235
  403    HG   LEU  52           HG       LEU  52   5.395  -8.583   3.234
  404   1HD1  LEU  52          1HD1      LEU  52   6.948 -11.075   3.038
  405   2HD1  LEU  52          2HD1      LEU  52   6.717 -10.443   4.669
  406   3HD1  LEU  52          3HD1      LEU  52   7.469  -9.436   3.430
  407   1HD2  LEU  52          1HD2      LEU  52   4.340  -9.374   1.356
  408   2HD2  LEU  52          2HD2      LEU  52   4.511 -11.063   1.837
  409   3HD2  LEU  52          3HD2      LEU  52   5.905 -10.177   1.217
  410    H    ARG  53           H        ARG  53   1.986  -9.051   6.161
  411    HA   ARG  53           HA       ARG  53   0.892 -11.571   6.922
  412   1HB   ARG  53          2HB       ARG  53   1.743  -9.633   8.422
  413   2HB   ARG  53          1HB       ARG  53   0.139  -8.953   8.193
  414   1HG   ARG  53          2HG       ARG  53   0.344 -11.778   9.086
  415   2HG   ARG  53          1HG       ARG  53   0.715 -10.502  10.246
  416   1HD   ARG  53          2HD       ARG  53  -1.478  -9.471   9.757
  417   2HD   ARG  53          1HD       ARG  53  -1.841 -10.811   8.676
  418    HE   ARG  53           HE       ARG  53  -2.002 -12.247  10.539
  419   1HH1  ARG  53          1HH1      ARG  53  -1.423  -8.924  11.464
  420   2HH1  ARG  53          2HH1      ARG  53  -1.945  -9.163  13.097
  421   1HH2  ARG  53          1HH2      ARG  53  -2.684 -12.552  12.684
  422   2HH2  ARG  53          2HH2      ARG  53  -2.658 -11.218  13.790
  423    H    THR  54           H        THR  54  -0.349  -8.690   5.370
  424    HA   THR  54           HA       THR  54  -3.103  -9.614   5.631
  425    HB   THR  54           HB       THR  54  -1.988  -7.124   4.330
  426    HG1  THR  54           1HG      THR  54  -3.098  -7.604   6.893
  427   1HG2  THR  54          1HG2      THR  54  -4.820  -7.738   5.145
  428   2HG2  THR  54          2HG2      THR  54  -4.219  -7.715   3.486
  429   3HG2  THR  54          3HG2      THR  54  -4.223  -6.234   4.443
  430    H    CYS  55           H        CYS  55  -0.796  -8.902   2.984
  431    HA   CYS  55           HA       CYS  55  -2.651 -10.269   1.161
  432   1HB   CYS  55          2HB       CYS  55  -0.578  -8.147   0.738
  433   2HB   CYS  55          1HB       CYS  55  -1.108  -9.152  -0.607
  434    H    GLY  56           H        GLY  56  -0.002 -11.060   2.915
  435   1HA   GLY  56          2HA       GLY  56   1.405 -12.503   0.811
  436   2HA   GLY  56          1HA       GLY  56   1.864 -12.432   2.503
  437    H    GLY  57           H        GLY  57  -0.885 -13.150   3.349
  438   1HA   GLY  57          2HA       GLY  57  -2.293 -15.027   3.433
  439   2HA   GLY  57          1HA       GLY  57  -1.217 -15.858   2.319
  440    H    ALA  58           H        ALA  58  -2.423 -16.586   4.987
  441    HA   ALA  58           HA       ALA  58   0.045 -17.652   6.130
  442   1HB   ALA  58          1HB       ALA  58  -1.976 -16.055   7.693
  443   2HB   ALA  58          2HB       ALA  58  -0.264 -15.699   7.466
  444   3HB   ALA  58          3HB       ALA  58  -0.755 -17.088   8.435
  Start of MODEL    4
    1   1H    ARG   1          1HT       ARG   1  -7.243 -13.994  -0.191
    2   2H    ARG   1          2HT       ARG   1  -5.587 -14.043   0.255
    3   3H    ARG   1          3HT       ARG   1  -6.087 -14.665  -1.263
    4    HA   ARG   1           HA       ARG   1  -5.266 -12.098  -0.604
    5   1HB   ARG   1          2HB       ARG   1  -6.395 -13.330  -3.127
    6   2HB   ARG   1          1HB       ARG   1  -5.513 -11.812  -3.060
    7   1HG   ARG   1          2HG       ARG   1  -3.730 -13.441  -1.871
    8   2HG   ARG   1          1HG       ARG   1  -4.531 -14.584  -2.952
    9   1HD   ARG   1          2HD       ARG   1  -4.040 -12.173  -4.387
   10   2HD   ARG   1          1HD       ARG   1  -2.549 -12.655  -3.580
   11    HE   ARG   1           HE       ARG   1  -3.847 -13.990  -5.772
   12   1HH1  ARG   1          1HH1      ARG   1  -1.674 -14.386  -3.072
   13   2HH1  ARG   1          2HH1      ARG   1  -0.868 -15.754  -3.760
   14   1HH2  ARG   1          1HH2      ARG   1  -2.782 -15.784  -6.687
   15   2HH2  ARG   1          2HH2      ARG   1  -1.496 -16.551  -5.816
   16    HA   PRO   2           HA       PRO   2  -9.462 -10.545   0.358
   17   1HB   PRO   2          2HB       PRO   2  -7.841  -8.093   0.727
   18   2HB   PRO   2          1HB       PRO   2  -9.057  -8.805   1.793
   19   1HG   PRO   2          2HG       PRO   2  -6.447  -8.957   2.348
   20   2HG   PRO   2          1HG       PRO   2  -7.558 -10.295   2.717
   21   1HD   PRO   2          2HD       PRO   2  -5.549 -10.056   0.525
   22   2HD   PRO   2          1HD       PRO   2  -6.087 -11.496   1.415
   23    H    ASP   3           H        ASP   3 -10.851  -9.159  -0.751
   24    HA   ASP   3           HA       ASP   3 -10.487  -8.804  -3.458
   25   1HB   ASP   3          2HB       ASP   3 -12.550  -8.387  -1.700
   26   2HB   ASP   3          1HB       ASP   3 -12.191  -6.747  -2.237
   27    H    PHE   4           H        PHE   4 -10.271  -6.221  -0.992
   28    HA   PHE   4           HA       PHE   4  -9.501  -4.162  -2.650
   29   1HB   PHE   4          2HB       PHE   4  -8.701  -3.069  -0.651
   30   2HB   PHE   4          1HB       PHE   4 -10.183  -3.933  -0.286
   31    HD1  PHE   4           1HD      PHE   4  -6.491  -4.120   0.002
   32    HD2  PHE   4           2HD      PHE   4 -10.252  -5.536   1.398
   33    HE1  PHE   4           1HE      PHE   4  -5.360  -5.298   1.846
   34    HE2  PHE   4           2HE      PHE   4  -9.129  -6.714   3.241
   35    HZ   PHE   4           HZ       PHE   4  -6.679  -6.609   3.463
   36    H    CYS   5           H        CYS   5  -7.614  -6.870  -1.551
   37    HA   CYS   5           HA       CYS   5  -5.027  -5.858  -1.689
   38   1HB   CYS   5          2HB       CYS   5  -5.527  -8.121  -0.897
   39   2HB   CYS   5          1HB       CYS   5  -5.997  -8.597  -2.524
   40    H    LEU   6           H        LEU   6  -7.284  -6.539  -4.226
   41    HA   LEU   6           HA       LEU   6  -5.337  -6.542  -6.342
   42   1HB   LEU   6          2HB       LEU   6  -8.340  -6.287  -6.476
   43   2HB   LEU   6          1HB       LEU   6  -7.275  -6.618  -7.829
   44    HG   LEU   6           HG       LEU   6  -7.395  -8.470  -5.469
   45   1HD1  LEU   6          1HD1      LEU   6  -9.160  -9.682  -6.361
   46   2HD1  LEU   6          2HD1      LEU   6  -9.036  -8.894  -7.935
   47   3HD1  LEU   6          3HD1      LEU   6  -9.683  -8.008  -6.555
   48   1HD2  LEU   6          1HD2      LEU   6  -5.539  -8.648  -7.104
   49   2HD2  LEU   6          2HD2      LEU   6  -6.729  -8.943  -8.369
   50   3HD2  LEU   6          3HD2      LEU   6  -6.556 -10.086  -7.038
   51    H    GLU   7           H        GLU   7  -6.079  -4.104  -4.428
   52    HA   GLU   7           HA       GLU   7  -6.494  -2.108  -6.522
   53   1HB   GLU   7          2HB       GLU   7  -7.924  -2.072  -4.473
   54   2HB   GLU   7          1HB       GLU   7  -6.485  -1.729  -3.523
   55   1HG   GLU   7          2HG       GLU   7  -6.654   0.136  -5.676
   56   2HG   GLU   7          1HG       GLU   7  -8.194   0.085  -4.823
   57    HA   PRO   8           HA       PRO   8  -2.093  -1.331  -6.548
   58   1HB   PRO   8          2HB       PRO   8  -2.260   1.087  -7.870
   59   2HB   PRO   8          1HB       PRO   8  -2.219  -0.492  -8.660
   60   1HG   PRO   8          2HG       PRO   8  -4.546   1.271  -8.052
   61   2HG   PRO   8          1HG       PRO   8  -4.243   0.258  -9.475
   62   1HD   PRO   8          2HD       PRO   8  -5.958  -0.470  -7.528
   63   2HD   PRO   8          1HD       PRO   8  -4.988  -1.657  -8.426
   64    HA   PRO   9           HA       PRO   9  -1.225   1.605  -3.376
   65   1HB   PRO   9          2HB       PRO   9   0.885   3.039  -4.278
   66   2HB   PRO   9          1HB       PRO   9   1.008   1.346  -3.792
   67   1HG   PRO   9          2HG       PRO   9   0.800   2.522  -6.533
   68   2HG   PRO   9          1HG       PRO   9   1.830   1.194  -5.954
   69   1HD   PRO   9          2HD       PRO   9  -0.483   0.799  -7.326
   70   2HD   PRO   9          1HD       PRO   9   0.140  -0.354  -6.126
   71    H    TYR  10           H        TYR  10  -2.320   3.342  -2.734
   72    HA   TYR  10           HA       TYR  10  -2.935   5.442  -4.709
   73   1HB   TYR  10          2HB       TYR  10  -4.778   4.088  -3.491
   74   2HB   TYR  10          1HB       TYR  10  -4.383   5.092  -2.100
   75    HD1  TYR  10           1HD      TYR  10  -4.939   5.639  -5.763
   76    HD2  TYR  10           2HD      TYR  10  -5.812   6.867  -1.784
   77    HE1  TYR  10           1HE      TYR  10  -6.394   7.420  -6.638
   78    HE2  TYR  10           2HE      TYR  10  -7.273   8.647  -2.646
   79    HH   TYR  10           HH       TYR  10  -8.656   8.880  -5.077
   80    H    THR  11           H        THR  11  -1.913   7.290  -4.524
   81    HA   THR  11           HA       THR  11  -0.456   7.969  -2.094
   82    HB   THR  11           HB       THR  11  -0.637   9.329  -4.793
   83    HG1  THR  11           1HG      THR  11   1.199   7.519  -3.646
   84   1HG2  THR  11          1HG2      THR  11   1.375  10.545  -4.160
   85   2HG2  THR  11          2HG2      THR  11   1.284   9.861  -2.536
   86   3HG2  THR  11          3HG2      THR  11   0.020  10.951  -3.108
   87    H    GLY  12           H        GLY  12  -3.545   8.512  -3.270
   88   1HA   GLY  12          2HA       GLY  12  -5.234   9.907  -2.681
   89   2HA   GLY  12          1HA       GLY  12  -4.287  10.199  -1.238
   90    HA   PRO  13           HA       PRO  13  -4.296  13.977  -4.093
   91   1HB   PRO  13          2HB       PRO  13  -6.337  15.443  -3.168
   92   2HB   PRO  13          1HB       PRO  13  -6.592  14.155  -4.351
   93   1HG   PRO  13          2HG       PRO  13  -7.043  14.130  -1.393
   94   2HG   PRO  13          1HG       PRO  13  -8.054  13.457  -2.685
   95   1HD   PRO  13          2HD       PRO  13  -6.305  11.983  -1.152
   96   2HD   PRO  13          1HD       PRO  13  -6.842  11.520  -2.782
   97    H    CYS  14           H        CYS  14  -2.543  13.555  -2.125
   98    HA   CYS  14           HA       CYS  14  -2.650  16.017  -0.502
   99   1HB   CYS  14          2HB       CYS  14  -2.071  13.229   0.268
  100   2HB   CYS  14          1HB       CYS  14  -0.952  14.431   0.904
  101    H    ARG  15           H        ARG  15  -0.379  16.628   0.260
  102    HA   ARG  15           HA       ARG  15   1.461  16.369  -2.026
  103   1HB   ARG  15          2HB       ARG  15   2.178  18.643  -1.624
  104   2HB   ARG  15          1HB       ARG  15   0.430  18.597  -1.801
  105   1HG   ARG  15          2HG       ARG  15   0.226  18.627   0.665
  106   2HG   ARG  15          1HG       ARG  15   1.976  18.828   0.765
  107   1HD   ARG  15          2HD       ARG  15   1.161  20.780  -1.031
  108   2HD   ARG  15          1HD       ARG  15  -0.090  20.785   0.212
  109    HE   ARG  15           HE       ARG  15   2.596  20.804   1.248
  110   1HH1  ARG  15          1HH1      ARG  15  -0.059  22.767   0.116
  111   2HH1  ARG  15          2HH1      ARG  15   0.452  24.174   0.985
  112   1HH2  ARG  15          1HH2      ARG  15   3.267  22.660   2.390
  113   2HH2  ARG  15          2HH2      ARG  15   2.336  24.116   2.269
  114    H    VAL  16           H        VAL  16   1.357  14.790   0.535
  115    HA   VAL  16           HA       VAL  16   3.871  15.606   1.796
  116    HB   VAL  16           HB       VAL  16   2.539  13.143   2.754
  117   1HG1  VAL  16          1HG1      VAL  16   2.980  14.574   4.933
  118   2HG1  VAL  16          2HG1      VAL  16   4.070  15.436   3.847
  119   3HG1  VAL  16          3HG1      VAL  16   4.276  13.705   4.111
  120   1HG2  VAL  16          1HG2      VAL  16   0.766  15.093   2.219
  121   2HG2  VAL  16          2HG2      VAL  16   1.310  15.619   3.808
  122   3HG2  VAL  16          3HG2      VAL  16   0.621  14.009   3.599
  123    H    ARG  17           H        ARG  17   5.292  13.628   2.462
  124    HA   ARG  17           HA       ARG  17   5.550  11.801   0.159
  125   1HB   ARG  17          2HB       ARG  17   7.800  13.133   1.685
  126   2HB   ARG  17          1HB       ARG  17   8.003  11.930   0.418
  127   1HG   ARG  17          2HG       ARG  17   7.722  13.429  -1.214
  128   2HG   ARG  17          1HG       ARG  17   6.383  14.222  -0.386
  129   1HD   ARG  17          2HD       ARG  17   7.744  15.697   0.696
  130   2HD   ARG  17          1HD       ARG  17   9.107  14.582   0.733
  131    HE   ARG  17           HE       ARG  17   9.323  15.077  -1.713
  132   1HH1  ARG  17          1HH1      ARG  17   7.857  17.398   0.459
  133   2HH1  ARG  17          2HH1      ARG  17   8.274  18.757  -0.527
  134   1HH2  ARG  17          1HH2      ARG  17   9.862  16.865  -2.997
  135   2HH2  ARG  17          2HH2      ARG  17   9.410  18.457  -2.487
  136    H    ILE  18           H        ILE  18   4.780   9.951   1.032
  137    HA   ILE  18           HA       ILE  18   6.026   9.009   3.537
  138    HB   ILE  18           HB       ILE  18   3.219   8.487   2.569
  139   1HG1  ILE  18          2HG1      ILE  18   4.346  10.391   4.605
  140   2HG1  ILE  18          1HG1      ILE  18   3.200  10.714   3.308
  141   1HG2  ILE  18          1HG2      ILE  18   3.770   7.889   5.346
  142   2HG2  ILE  18          2HG2      ILE  18   4.760   6.935   4.245
  143   3HG2  ILE  18          3HG2      ILE  18   3.002   6.907   4.101
  144   1HD1  ILE  18          1HD1      ILE  18   1.794   8.951   4.791
  145   2HD1  ILE  18          2HD1      ILE  18   1.705  10.704   4.968
  146   3HD1  ILE  18          3HD1      ILE  18   2.742   9.759   6.039
  147    H    ILE  19           H        ILE  19   6.727   6.891   3.593
  148    HA   ILE  19           HA       ILE  19   6.719   5.465   1.032
  149    HB   ILE  19           HB       ILE  19   8.385   5.038   3.522
  150   1HG1  ILE  19          2HG1      ILE  19  10.096   5.640   1.446
  151   2HG1  ILE  19          1HG1      ILE  19   8.720   6.693   1.131
  152   1HG2  ILE  19          1HG2      ILE  19   8.274   2.920   2.579
  153   2HG2  ILE  19          2HG2      ILE  19   9.738   3.590   1.859
  154   3HG2  ILE  19          3HG2      ILE  19   8.240   3.546   0.930
  155   1HD1  ILE  19          1HD1      ILE  19  10.730   7.425   2.677
  156   2HD1  ILE  19          2HD1      ILE  19   9.770   6.589   3.898
  157   3HD1  ILE  19          3HD1      ILE  19   9.073   7.936   2.998
  158    H    ARG  20           H        ARG  20   4.628   4.583   1.142
  159    HA   ARG  20           HA       ARG  20   4.072   2.797   3.400
  160   1HB   ARG  20          2HB       ARG  20   2.271   3.823   1.208
  161   2HB   ARG  20          1HB       ARG  20   1.762   2.722   2.482
  162   1HG   ARG  20          2HG       ARG  20   2.853   5.493   2.921
  163   2HG   ARG  20          1HG       ARG  20   1.145   5.056   2.937
  164   1HD   ARG  20          2HD       ARG  20   1.491   4.859   5.152
  165   2HD   ARG  20          1HD       ARG  20   2.093   3.272   4.701
  166    HE   ARG  20           HE       ARG  20   4.350   4.289   4.724
  167   1HH1  ARG  20          1HH1      ARG  20   1.783   5.804   6.557
  168   2HH1  ARG  20          2HH1      ARG  20   2.865   6.530   7.695
  169   1HH2  ARG  20          1HH2      ARG  20   5.760   5.244   6.231
  170   2HH2  ARG  20          2HH2      ARG  20   5.113   6.212   7.513
  171    H    TYR  21           H        TYR  21   2.753   0.760   2.724
  172    HA   TYR  21           HA       TYR  21   4.260  -0.565   0.564
  173   1HB   TYR  21          2HB       TYR  21   3.148  -1.616   3.164
  174   2HB   TYR  21          1HB       TYR  21   3.772  -2.666   1.893
  175    HD1  TYR  21           1HD      TYR  21   4.643  -0.179   4.450
  176    HD2  TYR  21           2HD      TYR  21   6.146  -2.826   1.480
  177    HE1  TYR  21           1HE      TYR  21   6.907   0.081   5.374
  178    HE2  TYR  21           2HE      TYR  21   8.413  -2.575   2.396
  179    HH   TYR  21           HH       TYR  21   9.717  -1.289   3.784
  180    H    PHE  22           H        PHE  22   3.177  -2.205  -0.666
  181    HA   PHE  22           HA       PHE  22   0.294  -2.453  -0.481
  182   1HB   PHE  22          2HB       PHE  22  -0.231  -1.620  -2.659
  183   2HB   PHE  22          1HB       PHE  22   0.722  -0.378  -1.863
  184    HD1  PHE  22           1HD      PHE  22   0.363  -2.371  -4.759
  185    HD2  PHE  22           2HD      PHE  22   3.269  -0.385  -2.367
  186    HE1  PHE  22           1HE      PHE  22   1.942  -2.419  -6.646
  187    HE2  PHE  22           2HE      PHE  22   4.852  -0.427  -4.250
  188    HZ   PHE  22           HZ       PHE  22   4.191  -1.450  -6.392
  189    H    TYR  23           H        TYR  23  -0.463  -3.833  -2.462
  190    HA   TYR  23           HA       TYR  23   1.452  -6.073  -2.730
  191   1HB   TYR  23          2HB       TYR  23  -0.642  -6.720  -1.683
  192   2HB   TYR  23          1HB       TYR  23  -1.570  -6.003  -3.006
  193    HD1  TYR  23           1HD      TYR  23  -2.150  -7.301  -4.864
  194    HD2  TYR  23           2HD      TYR  23   0.930  -8.665  -2.265
  195    HE1  TYR  23           1HE      TYR  23  -2.084  -9.440  -6.075
  196    HE2  TYR  23           2HE      TYR  23   1.003 -10.808  -3.467
  197    HH   TYR  23           HH       TYR  23  -1.384 -11.702  -5.785
  198    H    ASN  24           H        ASN  24   2.631  -5.549  -4.530
  199    HA   ASN  24           HA       ASN  24   1.523  -4.401  -6.877
  200   1HB   ASN  24          2HB       ASN  24   3.948  -4.320  -6.123
  201   2HB   ASN  24          1HB       ASN  24   4.093  -5.985  -6.703
  202   1HD2  ASN  24          1HD2      ASN  24   4.940  -3.054  -7.488
  203   2HD2  ASN  24          2HD2      ASN  24   4.781  -3.094  -9.230
  204    H    ALA  25           H        ALA  25   0.284  -5.350  -8.355
  205    HA   ALA  25           HA       ALA  25  -0.047  -8.223  -8.363
  206   1HB   ALA  25          1HB       ALA  25  -2.082  -7.174  -8.594
  207   2HB   ALA  25          2HB       ALA  25  -1.699  -7.578 -10.268
  208   3HB   ALA  25          3HB       ALA  25  -1.444  -5.936  -9.677
  209    H    LYS  26           H        LYS  26   2.355  -6.567  -9.588
  210    HA   LYS  26           HA       LYS  26   2.408  -7.945 -12.195
  211   1HB   LYS  26          2HB       LYS  26   4.273  -5.742 -11.315
  212   2HB   LYS  26          1HB       LYS  26   3.973  -6.320 -12.948
  213   1HG   LYS  26          2HG       LYS  26   1.691  -5.415 -12.828
  214   2HG   LYS  26          1HG       LYS  26   2.041  -4.791 -11.215
  215   1HD   LYS  26          2HD       LYS  26   4.051  -4.001 -13.155
  216   2HD   LYS  26          1HD       LYS  26   2.433  -3.468 -13.619
  217   1HE   LYS  26          2HE       LYS  26   2.157  -2.484 -11.366
  218   2HE   LYS  26          1HE       LYS  26   3.820  -2.940 -10.994
  219   1HZ   LYS  26          1HZ       LYS  26   2.818  -0.820 -12.737
  220   2HZ   LYS  26          2HZ       LYS  26   4.248  -1.594 -13.204
  221   3HZ   LYS  26          3HZ       LYS  26   4.156  -0.826 -11.700
  222    H    ALA  27           H        ALA  27   4.142  -7.277  -9.228
  223    HA   ALA  27           HA       ALA  27   6.125  -9.340  -9.861
  224   1HB   ALA  27          1HB       ALA  27   7.118  -7.285  -9.138
  225   2HB   ALA  27          2HB       ALA  27   7.301  -8.460  -7.835
  226   3HB   ALA  27          3HB       ALA  27   6.062  -7.208  -7.727
  227    H    GLY  28           H        GLY  28   3.227  -8.873  -8.175
  228   1HA   GLY  28          2HA       GLY  28   1.987 -10.302  -6.924
  229   2HA   GLY  28          1HA       GLY  28   3.255 -11.457  -7.179
  230    H    LEU  29           H        LEU  29   4.738  -8.886  -5.953
  231    HA   LEU  29           HA       LEU  29   4.493  -9.880  -3.195
  232   1HB   LEU  29          2HB       LEU  29   6.827  -8.835  -2.939
  233   2HB   LEU  29          1HB       LEU  29   6.681 -10.363  -3.785
  234    HG   LEU  29           HG       LEU  29   6.543  -8.713  -5.892
  235   1HD1  LEU  29          1HD1      LEU  29   7.887  -6.797  -5.674
  236   2HD1  LEU  29          2HD1      LEU  29   8.437  -7.269  -4.065
  237   3HD1  LEU  29          3HD1      LEU  29   6.769  -6.750  -4.312
  238   1HD2  LEU  29          1HD2      LEU  29   9.184  -9.389  -4.633
  239   2HD2  LEU  29          2HD2      LEU  29   8.784  -9.287  -6.348
  240   3HD2  LEU  29          3HD2      LEU  29   8.138 -10.604  -5.368
  241    H    CYS  30           H        CYS  30   5.185  -8.191  -1.524
  242    HA   CYS  30           HA       CYS  30   3.588  -5.833  -1.995
  243   1HB   CYS  30          2HB       CYS  30   4.682  -7.255   0.352
  244   2HB   CYS  30          1HB       CYS  30   4.538  -5.508   0.519
  245    H    GLN  31           H        GLN  31   4.385  -3.950  -2.646
  246    HA   GLN  31           HA       GLN  31   7.242  -3.409  -2.179
  247   1HB   GLN  31          2HB       GLN  31   5.566  -2.528  -4.530
  248   2HB   GLN  31          1HB       GLN  31   7.258  -2.132  -4.276
  249   1HG   GLN  31          2HG       GLN  31   7.522  -4.742  -4.191
  250   2HG   GLN  31          1HG       GLN  31   6.008  -4.701  -5.092
  251   1HE2  GLN  31          1HE2      GLN  31   9.035  -5.218  -5.628
  252   2HE2  GLN  31          2HE2      GLN  31   9.286  -4.408  -7.133
  253    H    THR  32           H        THR  32   7.700  -0.961  -2.438
  254    HA   THR  32           HA       THR  32   5.804   0.436  -0.694
  255    HB   THR  32           HB       THR  32   7.657   1.912  -0.127
  256    HG1  THR  32           1HG      THR  32   8.713   1.879  -2.149
  257   1HG2  THR  32          1HG2      THR  32   9.376  -0.227   0.280
  258   2HG2  THR  32          2HG2      THR  32   7.759  -0.931   0.316
  259   3HG2  THR  32          3HG2      THR  32   8.168   0.398   1.400
  260    H    PHE  33           H        PHE  33   5.715   2.846  -0.964
  261    HA   PHE  33           HA       PHE  33   6.199   3.936  -3.572
  262   1HB   PHE  33          2HB       PHE  33   3.838   4.490  -4.082
  263   2HB   PHE  33          1HB       PHE  33   4.161   2.764  -4.124
  264    HD1  PHE  33           1HD      PHE  33   3.790   1.609  -1.713
  265    HD2  PHE  33           2HD      PHE  33   1.883   5.139  -3.116
  266    HE1  PHE  33           1HE      PHE  33   1.954   1.247  -0.124
  267    HE2  PHE  33           2HE      PHE  33   0.042   4.778  -1.528
  268    HZ   PHE  33           HZ       PHE  33   0.077   2.826  -0.034
  269    H    VAL  34           H        VAL  34   5.517   6.179  -3.754
  270    HA   VAL  34           HA       VAL  34   5.987   7.594  -1.278
  271    HB   VAL  34           HB       VAL  34   5.578   8.732  -4.044
  272   1HG1  VAL  34          1HG1      VAL  34   5.659  10.019  -1.609
  273   2HG1  VAL  34          2HG1      VAL  34   5.974  10.750  -3.182
  274   3HG1  VAL  34          3HG1      VAL  34   7.314  10.161  -2.200
  275   1HG2  VAL  34          1HG2      VAL  34   8.303   8.801  -3.254
  276   2HG2  VAL  34          2HG2      VAL  34   7.575   7.961  -4.622
  277   3HG2  VAL  34          3HG2      VAL  34   7.724   7.146  -3.067
  278    H    TYR  35           H        TYR  35   3.865   6.871  -0.415
  279    HA   TYR  35           HA       TYR  35   1.432   7.904  -1.487
  280   1HB   TYR  35          2HB       TYR  35   1.046   6.079  -0.137
  281   2HB   TYR  35          1HB       TYR  35   2.261   6.557   1.036
  282    HD1  TYR  35           1HD      TYR  35  -0.882   8.015  -0.271
  283    HD2  TYR  35           2HD      TYR  35   1.409   7.029   3.104
  284    HE1  TYR  35           1HE      TYR  35  -2.670   8.896   1.185
  285    HE2  TYR  35           2HE      TYR  35  -0.360   7.859   4.588
  286    HH   TYR  35           HH       TYR  35  -3.401   8.303   3.703
  287    H    GLY  36           H        GLY  36   0.162   9.646  -0.743
  288   1HA   GLY  36          2HA       GLY  36   1.715  11.855   0.260
  289   2HA   GLY  36          1HA       GLY  36   0.043  11.927  -0.262
  290    H    GLY  37           H        GLY  37  -1.600  11.402   1.236
  291   1HA   GLY  37          2HA       GLY  37  -1.552  10.438   3.748
  292   2HA   GLY  37          1HA       GLY  37  -0.911  12.045   3.921
  293    H    CYS  38           H        CYS  38  -3.473  10.966   1.738
  294    HA   CYS  38           HA       CYS  38  -5.267  12.851   3.123
  295   1HB   CYS  38          2HB       CYS  38  -4.785  12.279   0.244
  296   2HB   CYS  38          1HB       CYS  38  -6.426  12.687   0.729
  297    H    ARG  39           H        ARG  39  -5.811  10.991   4.528
  298    HA   ARG  39           HA       ARG  39  -7.569   9.700   5.239
  299   1HB   ARG  39          2HB       ARG  39  -8.889  10.764   3.339
  300   2HB   ARG  39          1HB       ARG  39  -8.476   9.344   2.391
  301   1HG   ARG  39          2HG       ARG  39  -9.475   8.358   4.807
  302   2HG   ARG  39          1HG       ARG  39 -10.535   9.696   4.364
  303   1HD   ARG  39          2HD       ARG  39 -11.407   8.580   2.624
  304   2HD   ARG  39          1HD       ARG  39  -9.843   7.945   2.126
  305    HE   ARG  39           HE       ARG  39 -10.122   6.185   3.764
  306   1HH1  ARG  39          1HH1      ARG  39 -12.999   8.034   3.014
  307   2HH1  ARG  39          2HH1      ARG  39 -14.077   6.782   3.525
  308   1HH2  ARG  39          1HH2      ARG  39 -11.548   4.556   4.438
  309   2HH2  ARG  39          2HH2      ARG  39 -13.258   4.812   4.332
  310    H    ALA  40           H        ALA  40  -5.377   8.749   2.761
  311    HA   ALA  40           HA       ALA  40  -4.332   6.764   2.333
  312   1HB   ALA  40          1HB       ALA  40  -4.164   6.784   4.850
  313   2HB   ALA  40          2HB       ALA  40  -4.087   5.194   4.090
  314   3HB   ALA  40          3HB       ALA  40  -5.576   5.727   4.869
  315    H    LYS  41           H        LYS  41  -4.755   4.513   1.658
  316    HA   LYS  41           HA       LYS  41  -7.611   4.065   1.058
  317   1HB   LYS  41          2HB       LYS  41  -5.154   3.789  -0.581
  318   2HB   LYS  41          1HB       LYS  41  -6.370   2.542  -0.798
  319   1HG   LYS  41          2HG       LYS  41  -6.915   5.490  -1.042
  320   2HG   LYS  41          1HG       LYS  41  -6.536   4.427  -2.396
  321   1HD   LYS  41          2HD       LYS  41  -8.513   3.014  -1.625
  322   2HD   LYS  41          1HD       LYS  41  -8.954   4.394  -0.616
  323   1HE   LYS  41          2HE       LYS  41 -10.160   4.868  -2.504
  324   2HE   LYS  41          1HE       LYS  41  -8.658   5.718  -2.870
  325   1HZ   LYS  41          1HZ       LYS  41  -9.679   4.200  -4.646
  326   2HZ   LYS  41          2HZ       LYS  41  -9.050   2.924  -3.730
  327   3HZ   LYS  41          3HZ       LYS  41  -8.013   4.098  -4.367
  328    H    ARG  42           H        ARG  42  -7.503   1.448   0.169
  329    HA   ARG  42           HA       ARG  42  -7.214   0.035   2.671
  330   1HB   ARG  42          2HB       ARG  42  -8.143  -0.832  -0.072
  331   2HB   ARG  42          1HB       ARG  42  -8.008  -1.948   1.290
  332   1HG   ARG  42          2HG       ARG  42 -10.124  -1.412   1.717
  333   2HG   ARG  42          1HG       ARG  42  -9.484   0.106   2.348
  334   1HD   ARG  42          2HD       ARG  42  -9.903  -0.002  -0.568
  335   2HD   ARG  42          1HD       ARG  42 -11.363  -0.053   0.417
  336    HE   ARG  42           HE       ARG  42  -9.572   2.180   0.069
  337   1HH1  ARG  42          1HH1      ARG  42 -12.061   0.756   2.060
  338   2HH1  ARG  42          2HH1      ARG  42 -12.509   2.258   2.795
  339   1HH2  ARG  42          1HH2      ARG  42 -10.157   4.158   1.031
  340   2HH2  ARG  42          2HH2      ARG  42 -11.428   4.195   2.209
  341    H    ASN  43           H        ASN  43  -5.693  -0.061  -0.539
  342    HA   ASN  43           HA       ASN  43  -3.763  -1.998   0.452
  343   1HB   ASN  43          2HB       ASN  43  -4.944  -1.964  -1.920
  344   2HB   ASN  43          1HB       ASN  43  -3.610  -0.886  -2.312
  345   1HD2  ASN  43          1HD2      ASN  43  -4.582  -3.995  -2.399
  346   2HD2  ASN  43          2HD2      ASN  43  -3.048  -4.788  -2.398
  347    H    ASN  44           H        ASN  44  -3.273  -0.042   1.916
  348    HA   ASN  44           HA       ASN  44  -0.758   1.063   0.982
  349   1HB   ASN  44          2HB       ASN  44  -2.118   2.869   0.286
  350   2HB   ASN  44          1HB       ASN  44  -3.157   2.742   1.700
  351   1HD2  ASN  44          1HD2      ASN  44  -2.709   3.889   3.457
  352   2HD2  ASN  44          2HD2      ASN  44  -1.310   4.889   3.653
  353    H    PHE  45           H        PHE  45   0.013  -0.423   2.598
  354    HA   PHE  45           HA       PHE  45  -0.738   0.055   5.364
  355   1HB   PHE  45          2HB       PHE  45   1.460  -1.786   4.431
  356   2HB   PHE  45          1HB       PHE  45   0.500  -1.884   5.905
  357    HD1  PHE  45           1HD      PHE  45  -1.777  -2.736   5.857
  358    HD2  PHE  45           2HD      PHE  45   0.600  -2.578   2.331
  359    HE1  PHE  45           1HE      PHE  45  -3.379  -4.210   4.716
  360    HE2  PHE  45           2HE      PHE  45  -0.997  -4.058   1.184
  361    HZ   PHE  45           HZ       PHE  45  -2.989  -4.876   2.376
  362    H    LYS  46           H        LYS  46   1.106   0.176   6.987
  363    HA   LYS  46           HA       LYS  46   2.902   2.327   6.131
  364   1HB   LYS  46          2HB       LYS  46   2.017   1.389   8.858
  365   2HB   LYS  46          1HB       LYS  46   3.253   2.616   8.612
  366   1HG   LYS  46          2HG       LYS  46   1.758   4.206   8.098
  367   2HG   LYS  46          1HG       LYS  46   0.726   3.095   7.195
  368   1HD   LYS  46          2HD       LYS  46   0.140   2.123   9.516
  369   2HD   LYS  46          1HD       LYS  46   0.800   3.635  10.141
  370   1HE   LYS  46          2HE       LYS  46  -1.414   4.193   9.919
  371   2HE   LYS  46          1HE       LYS  46  -0.785   4.708   8.353
  372   1HZ   LYS  46          1HZ       LYS  46  -1.431   2.269   7.707
  373   2HZ   LYS  46          2HZ       LYS  46  -2.590   3.502   7.706
  374   3HZ   LYS  46          3HZ       LYS  46  -2.503   2.426   9.008
  375    H    SER  47           H        SER  47   2.941  -1.008   6.884
  376    HA   SER  47           HA       SER  47   5.864  -0.955   6.802
  377   1HB   SER  47          2HB       SER  47   5.377  -2.940   8.679
  378   2HB   SER  47          1HB       SER  47   6.024  -1.334   9.008
  379    HG   SER  47           HG       SER  47   3.250  -1.883   8.902
  380    H    ALA  48           H        ALA  48   6.842  -2.945   6.227
  381    HA   ALA  48           HA       ALA  48   5.491  -4.354   4.212
  382   1HB   ALA  48          1HB       ALA  48   7.634  -5.950   5.168
  383   2HB   ALA  48          2HB       ALA  48   8.124  -4.260   5.284
  384   3HB   ALA  48          3HB       ALA  48   7.585  -4.918   3.739
  385    H    GLU  49           H        GLU  49   5.773  -4.868   7.641
  386    HA   GLU  49           HA       GLU  49   4.978  -7.595   7.665
  387   1HB   GLU  49          2HB       GLU  49   5.179  -5.423   9.713
  388   2HB   GLU  49          1HB       GLU  49   4.281  -6.882  10.111
  389   1HG   GLU  49          2HG       GLU  49   7.160  -6.764   9.242
  390   2HG   GLU  49          1HG       GLU  49   6.577  -7.012  10.888
  391    H    ASP  50           H        ASP  50   3.227  -4.531   7.999
  392    HA   ASP  50           HA       ASP  50   0.688  -5.663   8.505
  393   1HB   ASP  50          2HB       ASP  50   1.571  -3.008   7.368
  394   2HB   ASP  50          1HB       ASP  50  -0.134  -3.420   7.534
  395    H    CYS  51           H        CYS  51   2.385  -4.731   5.559
  396    HA   CYS  51           HA       CYS  51   0.354  -5.259   3.690
  397   1HB   CYS  51          2HB       CYS  51   2.796  -4.221   3.485
  398   2HB   CYS  51          1HB       CYS  51   3.221  -5.874   3.068
  399    H    LEU  52           H        LEU  52   3.172  -7.245   4.568
  400    HA   LEU  52           HA       LEU  52   2.415  -9.579   3.271
  401   1HB   LEU  52          2HB       LEU  52   4.047  -9.138   5.765
  402   2HB   LEU  52          1HB       LEU  52   3.817 -10.732   5.074
  403    HG   LEU  52           HG       LEU  52   5.123  -8.397   3.675
  404   1HD1  LEU  52          1HD1      LEU  52   6.210  -9.858   5.671
  405   2HD1  LEU  52          2HD1      LEU  52   7.134  -9.142   4.351
  406   3HD1  LEU  52          3HD1      LEU  52   6.648 -10.836   4.272
  407   1HD2  LEU  52          1HD2      LEU  52   3.880 -10.085   2.246
  408   2HD2  LEU  52          2HD2      LEU  52   5.064 -11.271   2.793
  409   3HD2  LEU  52          3HD2      LEU  52   5.590  -9.856   1.881
  410    H    ARG  53           H        ARG  53   1.441  -8.308   6.384
  411    HA   ARG  53           HA       ARG  53   0.152 -10.642   7.331
  412   1HB   ARG  53          2HB       ARG  53   0.267  -7.797   8.083
  413   2HB   ARG  53          1HB       ARG  53  -1.253  -8.582   8.482
  414   1HG   ARG  53          2HG       ARG  53   0.097 -10.371   9.624
  415   2HG   ARG  53          1HG       ARG  53   1.505  -9.332   9.403
  416   1HD   ARG  53          2HD       ARG  53  -0.812  -7.965  10.554
  417   2HD   ARG  53          1HD       ARG  53  -0.192  -9.278  11.553
  418    HE   ARG  53           HE       ARG  53   1.964  -7.703  10.704
  419   1HH1  ARG  53          1HH1      ARG  53  -0.820  -7.496  12.798
  420   2HH1  ARG  53          2HH1      ARG  53  -0.087  -6.352  13.869
  421   1HH2  ARG  53          1HH2      ARG  53   2.931  -6.198  12.115
  422   2HH2  ARG  53          2HH2      ARG  53   2.042  -5.615  13.482
  423    H    THR  54           H        THR  54  -0.765  -8.044   5.184
  424    HA   THR  54           HA       THR  54  -3.553  -8.816   5.132
  425    HB   THR  54           HB       THR  54  -2.074  -6.865   3.361
  426    HG1  THR  54           1HG      THR  54  -3.546  -6.379   5.733
  427   1HG2  THR  54          1HG2      THR  54  -4.041  -6.855   2.288
  428   2HG2  THR  54          2HG2      THR  54  -4.574  -5.890   3.667
  429   3HG2  THR  54          3HG2      THR  54  -4.895  -7.624   3.625
  430    H    CYS  55           H        CYS  55  -1.005  -8.663   2.592
  431    HA   CYS  55           HA       CYS  55  -2.334 -10.961   1.328
  432   1HB   CYS  55          2HB       CYS  55  -2.173  -8.334   0.371
  433   2HB   CYS  55          1HB       CYS  55  -1.042  -9.265  -0.606
  434    H    GLY  56           H        GLY  56   0.029 -10.939   3.068
  435   1HA   GLY  56          2HA       GLY  56   2.281 -11.364   1.270
  436   2HA   GLY  56          1HA       GLY  56   2.310 -11.491   3.023
  437    H    GLY  57           H        GLY  57   1.376 -13.412   3.998
  438   1HA   GLY  57          2HA       GLY  57   0.630 -15.674   2.451
  439   2HA   GLY  57          1HA       GLY  57   2.323 -15.782   2.912
  440    H    ALA  58           H        ALA  58   1.355 -17.772   3.975
  441    HA   ALA  58           HA       ALA  58  -0.098 -17.240   6.434
  442   1HB   ALA  58          1HB       ALA  58  -0.002 -19.720   6.704
  443   2HB   ALA  58          2HB       ALA  58   0.865 -19.798   5.171
  444   3HB   ALA  58          3HB       ALA  58  -0.784 -19.175   5.217
  Start of MODEL    5
    1   1H    ARG   1          1HT       ARG   1  -4.911 -15.346   1.895
    2   2H    ARG   1          2HT       ARG   1  -6.581 -15.023   1.669
    3   3H    ARG   1          3HT       ARG   1  -5.689 -14.154   2.849
    4    HA   ARG   1           HA       ARG   1  -4.527 -12.967   1.298
    5   1HB   ARG   1          2HB       ARG   1  -3.961 -14.888  -0.116
    6   2HB   ARG   1          1HB       ARG   1  -5.611 -14.946  -0.721
    7   1HG   ARG   1          2HG       ARG   1  -4.881 -12.371  -1.272
    8   2HG   ARG   1          1HG       ARG   1  -3.375 -13.256  -1.523
    9   1HD   ARG   1          2HD       ARG   1  -5.029 -14.898  -2.810
   10   2HD   ARG   1          1HD       ARG   1  -5.948 -13.405  -2.993
   11    HE   ARG   1           HE       ARG   1  -3.147 -13.243  -3.710
   12   1HH1  ARG   1          1HH1      ARG   1  -6.413 -13.784  -4.823
   13   2HH1  ARG   1          2HH1      ARG   1  -6.050 -13.384  -6.467
   14   1HH2  ARG   1          1HH2      ARG   1  -2.672 -12.719  -5.874
   15   2HH2  ARG   1          2HH2      ARG   1  -3.928 -12.780  -7.065
   16    HA   PRO   2           HA       PRO   2  -8.784 -11.194   1.323
   17   1HB   PRO   2          2HB       PRO   2  -7.191  -8.742   1.665
   18   2HB   PRO   2          1HB       PRO   2  -8.568  -9.324   2.606
   19   1HG   PRO   2          2HG       PRO   2  -6.061  -9.359   3.564
   20   2HG   PRO   2          1HG       PRO   2  -7.244 -10.624   3.966
   21   1HD   PRO   2          2HD       PRO   2  -4.937 -10.725   2.077
   22   2HD   PRO   2          1HD       PRO   2  -5.617 -12.005   3.104
   23    H    ASP   3           H        ASP   3  -9.803 -10.536  -0.459
   24    HA   ASP   3           HA       ASP   3  -8.557 -10.174  -2.914
   25   1HB   ASP   3          2HB       ASP   3 -10.771  -9.200  -3.637
   26   2HB   ASP   3          1HB       ASP   3 -10.861 -10.783  -2.872
   27    H    PHE   4           H        PHE   4  -9.672  -7.723  -0.586
   28    HA   PHE   4           HA       PHE   4  -9.368  -5.446  -2.070
   29   1HB   PHE   4          2HB       PHE   4  -9.201  -4.263  -0.014
   30   2HB   PHE   4          1HB       PHE   4 -10.251  -5.634   0.272
   31    HD1  PHE   4           1HD      PHE   4  -9.920  -6.892   2.147
   32    HD2  PHE   4           2HD      PHE   4  -6.647  -4.672   0.575
   33    HE1  PHE   4           1HE      PHE   4  -8.540  -7.576   4.062
   34    HE2  PHE   4           2HE      PHE   4  -5.260  -5.359   2.487
   35    HZ   PHE   4           HZ       PHE   4  -6.205  -6.829   4.229
   36    H    CYS   5           H        CYS   5  -6.858  -7.484  -0.743
   37    HA   CYS   5           HA       CYS   5  -4.724  -5.700  -0.751
   38   1HB   CYS   5          2HB       CYS   5  -3.435  -7.501  -0.306
   39   2HB   CYS   5          1HB       CYS   5  -4.983  -8.308  -0.118
   40    H    LEU   6           H        LEU   6  -6.504  -6.922  -3.400
   41    HA   LEU   6           HA       LEU   6  -4.393  -6.348  -5.333
   42   1HB   LEU   6          2HB       LEU   6  -7.213  -7.117  -6.020
   43   2HB   LEU   6          1HB       LEU   6  -5.751  -7.364  -6.955
   44    HG   LEU   6           HG       LEU   6  -6.066  -8.769  -4.335
   45   1HD1  LEU   6          1HD1      LEU   6  -7.913  -9.793  -5.031
   46   2HD1  LEU   6          2HD1      LEU   6  -6.896 -10.596  -6.227
   47   3HD1  LEU   6          3HD1      LEU   6  -7.769  -9.125  -6.657
   48   1HD2  LEU   6          1HD2      LEU   6  -4.001  -8.672  -5.996
   49   2HD2  LEU   6          2HD2      LEU   6  -4.902  -9.964  -6.790
   50   3HD2  LEU   6          3HD2      LEU   6  -4.414 -10.137  -5.105
   51    H    GLU   7           H        GLU   7  -5.720  -4.257  -3.650
   52    HA   GLU   7           HA       GLU   7  -7.152  -2.680  -5.646
   53   1HB   GLU   7          2HB       GLU   7  -7.960  -2.973  -3.250
   54   2HB   GLU   7          1HB       GLU   7  -6.619  -1.945  -2.769
   55   1HG   GLU   7          2HG       GLU   7  -7.601  -0.276  -4.474
   56   2HG   GLU   7          1HG       GLU   7  -9.061  -1.253  -4.336
   57    HA   PRO   8           HA       PRO   8  -3.475  -0.399  -6.665
   58   1HB   PRO   8          2HB       PRO   8  -4.677   1.831  -7.708
   59   2HB   PRO   8          1HB       PRO   8  -4.478   0.311  -8.588
   60   1HG   PRO   8          2HG       PRO   8  -6.875   1.369  -7.151
   61   2HG   PRO   8          1HG       PRO   8  -6.782   0.521  -8.705
   62   1HD   PRO   8          2HD       PRO   8  -7.545  -0.716  -6.432
   63   2HD   PRO   8          1HD       PRO   8  -6.633  -1.555  -7.707
   64    HA   PRO   9           HA       PRO   9  -2.914   2.389  -3.256
   65   1HB   PRO   9          2HB       PRO   9  -0.575   3.502  -3.963
   66   2HB   PRO   9          1HB       PRO   9  -0.678   1.800  -3.508
   67   1HG   PRO   9          2HG       PRO   9  -0.592   3.027  -6.242
   68   2HG   PRO   9          1HG       PRO   9   0.301   1.624  -5.617
   69   1HD   PRO   9          2HD       PRO   9  -1.959   1.406  -7.125
   70   2HD   PRO   9          1HD       PRO   9  -1.484   0.205  -5.903
   71    H    TYR  10           H        TYR  10  -2.737   4.698  -2.746
   72    HA   TYR  10           HA       TYR  10  -3.180   6.554  -4.957
   73   1HB   TYR  10          2HB       TYR  10  -5.362   5.578  -3.555
   74   2HB   TYR  10          1HB       TYR  10  -5.030   7.109  -2.758
   75    HD1  TYR  10           1HD      TYR  10  -3.869   8.273  -5.513
   76    HD2  TYR  10           2HD      TYR  10  -7.525   6.456  -4.317
   77    HE1  TYR  10           1HE      TYR  10  -5.037   9.438  -7.331
   78    HE2  TYR  10           2HE      TYR  10  -8.702   7.617  -6.133
   79    HH   TYR  10           HH       TYR  10  -8.191   8.637  -8.303
   80    H    THR  11           H        THR  11  -1.367   7.701  -4.570
   81    HA   THR  11           HA       THR  11  -0.462   8.437  -1.961
   82    HB   THR  11           HB       THR  11   0.305   9.252  -4.764
   83    HG1  THR  11           1HG      THR  11   1.162   7.330  -4.310
   84   1HG2  THR  11          1HG2      THR  11   2.351  10.264  -3.693
   85   2HG2  THR  11          2HG2      THR  11   1.427  10.306  -2.190
   86   3HG2  THR  11          3HG2      THR  11   0.864  11.208  -3.598
   87    H    GLY  12           H        GLY  12  -2.907   9.684  -3.962
   88   1HA   GLY  12          2HA       GLY  12  -4.195  11.544  -3.902
   89   2HA   GLY  12          1HA       GLY  12  -3.674  11.665  -2.232
   90    HA   PRO  13           HA       PRO  13  -1.679  15.058  -4.804
   91   1HB   PRO  13          2HB       PRO  13  -3.431  17.068  -4.762
   92   2HB   PRO  13          1HB       PRO  13  -3.597  15.731  -5.907
   93   1HG   PRO  13          2HG       PRO  13  -5.096  16.267  -3.386
   94   2HG   PRO  13          1HG       PRO  13  -5.672  15.573  -4.911
   95   1HD   PRO  13          2HD       PRO  13  -4.945  14.143  -2.611
   96   2HD   PRO  13          1HD       PRO  13  -5.174  13.464  -4.235
   97    H    CYS  14           H        CYS  14  -2.236  14.467  -1.715
   98    HA   CYS  14           HA       CYS  14  -2.044  16.992  -0.440
   99   1HB   CYS  14          2HB       CYS  14  -1.742  14.156   0.383
  100   2HB   CYS  14          1HB       CYS  14  -0.991  15.378   1.412
  101    H    ARG  15           H        ARG  15  -0.120  17.274   1.159
  102    HA   ARG  15           HA       ARG  15   2.329  17.271  -0.482
  103   1HB   ARG  15          2HB       ARG  15   1.028  19.323   1.184
  104   2HB   ARG  15          1HB       ARG  15   2.771  19.213   1.381
  105   1HG   ARG  15          2HG       ARG  15   2.676  20.721  -0.310
  106   2HG   ARG  15          1HG       ARG  15   2.713  19.234  -1.259
  107   1HD   ARG  15          2HD       ARG  15   0.976  20.425  -2.228
  108   2HD   ARG  15          1HD       ARG  15   0.140  19.346  -1.114
  109    HE   ARG  15           HE       ARG  15   0.497  22.234  -0.815
  110   1HH1  ARG  15          1HH1      ARG  15  -0.809  19.240   0.435
  111   2HH1  ARG  15          2HH1      ARG  15  -1.892  20.031   1.528
  112   1HH2  ARG  15          1HH2      ARG  15  -0.927  23.264   0.625
  113   2HH2  ARG  15          2HH2      ARG  15  -1.960  22.310   1.637
  114    H    VAL  16           H        VAL  16   1.661  15.056   1.187
  115    HA   VAL  16           HA       VAL  16   3.587  15.327   3.399
  116    HB   VAL  16           HB       VAL  16   1.806  12.940   3.136
  117   1HG1  VAL  16          1HG1      VAL  16   2.940  12.523   5.016
  118   2HG1  VAL  16          2HG1      VAL  16   1.894  13.730   5.764
  119   3HG1  VAL  16          3HG1      VAL  16   3.485  14.193   5.162
  120   1HG2  VAL  16          1HG2      VAL  16  -0.024  14.000   4.249
  121   2HG2  VAL  16          2HG2      VAL  16   0.367  14.976   2.834
  122   3HG2  VAL  16          3HG2      VAL  16   0.885  15.501   4.437
  123    H    ARG  17           H        ARG  17   4.539  12.958   3.895
  124    HA   ARG  17           HA       ARG  17   5.416  11.647   1.431
  125   1HB   ARG  17          2HB       ARG  17   7.162  13.132   3.359
  126   2HB   ARG  17          1HB       ARG  17   7.790  11.682   2.589
  127   1HG   ARG  17          2HG       ARG  17   6.750  13.076   0.470
  128   2HG   ARG  17          1HG       ARG  17   7.382  14.356   1.507
  129   1HD   ARG  17          2HD       ARG  17   8.844  12.046   0.267
  130   2HD   ARG  17          1HD       ARG  17   9.171  13.770   0.105
  131    HE   ARG  17           HE       ARG  17   9.576  13.391   2.719
  132   1HH1  ARG  17          1HH1      ARG  17  10.709  11.605  -0.060
  133   2HH1  ARG  17          2HH1      ARG  17  12.169  11.087   0.714
  134   1HH2  ARG  17          1HH2      ARG  17  11.497  12.712   3.733
  135   2HH2  ARG  17          2HH2      ARG  17  12.617  11.715   2.864
  136    H    ILE  18           H        ILE  18   4.417   9.731   1.973
  137    HA   ILE  18           HA       ILE  18   5.424   8.385   4.398
  138    HB   ILE  18           HB       ILE  18   2.606   8.395   3.312
  139   1HG1  ILE  18          2HG1      ILE  18   3.752   9.180   5.998
  140   2HG1  ILE  18          1HG1      ILE  18   3.142  10.279   4.768
  141   1HG2  ILE  18          1HG2      ILE  18   1.999   6.591   4.539
  142   2HG2  ILE  18          2HG2      ILE  18   3.259   6.840   5.749
  143   3HG2  ILE  18          3HG2      ILE  18   3.662   6.127   4.188
  144   1HD1  ILE  18          1HD1      ILE  18   1.142   8.334   5.437
  145   2HD1  ILE  18          2HD1      ILE  18   1.082  10.093   5.550
  146   3HD1  ILE  18          3HD1      ILE  18   1.732   9.144   6.888
  147    H    ILE  19           H        ILE  19   6.584   6.646   3.823
  148    HA   ILE  19           HA       ILE  19   6.275   5.474   1.201
  149    HB   ILE  19           HB       ILE  19   8.106   4.742   3.495
  150   1HG1  ILE  19          2HG1      ILE  19   9.762   5.638   1.608
  151   2HG1  ILE  19          1HG1      ILE  19   8.331   6.550   1.139
  152   1HG2  ILE  19          1HG2      ILE  19   8.121   3.740   0.650
  153   2HG2  ILE  19          2HG2      ILE  19   7.655   2.807   2.071
  154   3HG2  ILE  19          3HG2      ILE  19   9.319   3.361   1.887
  155   1HD1  ILE  19          1HD1      ILE  19   8.420   7.879   2.959
  156   2HD1  ILE  19          2HD1      ILE  19  10.129   7.449   2.884
  157   3HD1  ILE  19          3HD1      ILE  19   9.054   6.605   3.999
  158    H    ARG  20           H        ARG  20   4.157   4.650   1.368
  159    HA   ARG  20           HA       ARG  20   3.577   2.649   3.384
  160   1HB   ARG  20          2HB       ARG  20   1.934   3.687   1.072
  161   2HB   ARG  20          1HB       ARG  20   1.360   2.528   2.263
  162   1HG   ARG  20          2HG       ARG  20   2.313   5.307   2.919
  163   2HG   ARG  20          1HG       ARG  20   0.624   4.861   2.677
  164   1HD   ARG  20          2HD       ARG  20   2.341   3.422   4.672
  165   2HD   ARG  20          1HD       ARG  20   1.547   4.936   5.087
  166    HE   ARG  20           HE       ARG  20   0.261   2.382   4.536
  167   1HH1  ARG  20          1HH1      ARG  20  -0.073   5.775   5.301
  168   2HH1  ARG  20          2HH1      ARG  20  -1.704   5.614   5.857
  169   1HH2  ARG  20          1HH2      ARG  20  -1.887   2.177   5.261
  170   2HH2  ARG  20          2HH2      ARG  20  -2.733   3.577   5.834
  171    H    TYR  21           H        TYR  21   2.418   0.595   2.541
  172    HA   TYR  21           HA       TYR  21   3.993  -0.540   0.325
  173   1HB   TYR  21          2HB       TYR  21   3.136  -1.803   2.923
  174   2HB   TYR  21          1HB       TYR  21   3.948  -2.667   1.617
  175    HD1  TYR  21           1HD      TYR  21   6.319  -2.531   1.367
  176    HD2  TYR  21           2HD      TYR  21   4.321  -0.028   4.164
  177    HE1  TYR  21           1HE      TYR  21   8.487  -1.903   2.346
  178    HE2  TYR  21           2HE      TYR  21   6.475   0.609   5.149
  179    HH   TYR  21           HH       TYR  21   8.751  -0.242   5.315
  180    H    PHE  22           H        PHE  22   2.932  -1.989  -1.043
  181    HA   PHE  22           HA       PHE  22   0.159  -2.666  -0.472
  182   1HB   PHE  22          2HB       PHE  22  -0.762  -1.823  -2.455
  183   2HB   PHE  22          1HB       PHE  22   0.245  -0.532  -1.852
  184    HD1  PHE  22           1HD      PHE  22  -0.566  -2.525  -4.634
  185    HD2  PHE  22           2HD      PHE  22   2.650  -0.387  -2.842
  186    HE1  PHE  22           1HE      PHE  22   0.587  -2.452  -6.806
  187    HE2  PHE  22           2HE      PHE  22   3.809  -0.310  -5.013
  188    HZ   PHE  22           HZ       PHE  22   2.780  -1.351  -6.995
  189    H    TYR  23           H        TYR  23  -0.683  -4.181  -2.147
  190    HA   TYR  23           HA       TYR  23   1.405  -6.178  -2.728
  191   1HB   TYR  23          2HB       TYR  23  -0.456  -6.937  -1.350
  192   2HB   TYR  23          1HB       TYR  23  -1.611  -6.432  -2.588
  193    HD1  TYR  23           1HD      TYR  23   1.198  -8.778  -1.937
  194    HD2  TYR  23           2HD      TYR  23  -2.215  -7.895  -4.318
  195    HE1  TYR  23           1HE      TYR  23   1.364 -10.995  -2.988
  196    HE2  TYR  23           2HE      TYR  23  -2.060 -10.112  -5.371
  197    HH   TYR  23           HH       TYR  23   0.644 -12.064  -5.157
  198    H    ASN  24           H        ASN  24   2.254  -5.633  -4.711
  199    HA   ASN  24           HA       ASN  24   0.667  -4.738  -6.899
  200   1HB   ASN  24          2HB       ASN  24   3.089  -4.227  -6.568
  201   2HB   ASN  24          1HB       ASN  24   3.457  -5.918  -6.937
  202   1HD2  ASN  24          1HD2      ASN  24   2.945  -2.831  -8.185
  203   2HD2  ASN  24          2HD2      ASN  24   2.913  -3.251  -9.882
  204    H    ALA  25           H        ALA  25  -0.524  -5.914  -8.266
  205    HA   ALA  25           HA       ALA  25  -0.533  -8.800  -8.021
  206   1HB   ALA  25          1HB       ALA  25  -2.282  -7.719 -10.069
  207   2HB   ALA  25          2HB       ALA  25  -2.475  -6.904  -8.517
  208   3HB   ALA  25          3HB       ALA  25  -2.668  -8.653  -8.624
  209    H    LYS  26           H        LYS  26   1.643  -7.179  -9.503
  210    HA   LYS  26           HA       LYS  26   1.522  -8.666 -12.049
  211   1HB   LYS  26          2HB       LYS  26   2.026  -5.938 -11.567
  212   2HB   LYS  26          1HB       LYS  26   3.587  -6.641 -11.971
  213   1HG   LYS  26          2HG       LYS  26   2.765  -5.983 -14.026
  214   2HG   LYS  26          1HG       LYS  26   2.343  -7.696 -13.968
  215   1HD   LYS  26          2HD       LYS  26   0.365  -5.739 -12.923
  216   2HD   LYS  26          1HD       LYS  26   0.586  -5.835 -14.672
  217   1HE   LYS  26          2HE       LYS  26   0.280  -8.343 -14.423
  218   2HE   LYS  26          1HE       LYS  26  -0.266  -8.012 -12.779
  219   1HZ   LYS  26          1HZ       LYS  26  -1.500  -6.601 -15.050
  220   2HZ   LYS  26          2HZ       LYS  26  -2.149  -6.945 -13.528
  221   3HZ   LYS  26          3HZ       LYS  26  -1.987  -8.178 -14.673
  222    H    ALA  27           H        ALA  27   3.460  -7.771  -9.276
  223    HA   ALA  27           HA       ALA  27   5.466  -9.792 -10.006
  224   1HB   ALA  27          1HB       ALA  27   7.063  -8.609  -8.802
  225   2HB   ALA  27          2HB       ALA  27   5.853  -7.752  -7.847
  226   3HB   ALA  27          3HB       ALA  27   6.100  -7.328  -9.541
  227    H    GLY  28           H        GLY  28   2.777  -9.328  -8.078
  228   1HA   GLY  28          2HA       GLY  28   1.838 -10.557  -6.425
  229   2HA   GLY  28          1HA       GLY  28   3.087 -11.712  -6.759
  230    H    LEU  29           H        LEU  29   4.529  -8.892  -6.072
  231    HA   LEU  29           HA       LEU  29   4.954  -9.662  -3.267
  232   1HB   LEU  29          2HB       LEU  29   6.789  -8.104  -5.089
  233   2HB   LEU  29          1HB       LEU  29   7.133  -8.552  -3.430
  234    HG   LEU  29           HG       LEU  29   6.584 -10.661  -5.494
  235   1HD1  LEU  29          1HD1      LEU  29   9.336  -9.642  -4.863
  236   2HD1  LEU  29          2HD1      LEU  29   8.405  -9.049  -6.238
  237   3HD1  LEU  29          3HD1      LEU  29   8.838 -10.755  -6.137
  238   1HD2  LEU  29          1HD2      LEU  29   6.752 -10.961  -2.897
  239   2HD2  LEU  29          2HD2      LEU  29   8.486 -10.872  -3.209
  240   3HD2  LEU  29          3HD2      LEU  29   7.512 -12.121  -3.986
  241    H    CYS  30           H        CYS  30   5.516  -7.834  -1.787
  242    HA   CYS  30           HA       CYS  30   3.610  -5.699  -2.197
  243   1HB   CYS  30          2HB       CYS  30   5.017  -6.903   0.115
  244   2HB   CYS  30          1HB       CYS  30   4.623  -5.191   0.239
  245    H    GLN  31           H        GLN  31   4.158  -3.799  -2.979
  246    HA   GLN  31           HA       GLN  31   6.970  -2.949  -2.804
  247   1HB   GLN  31          2HB       GLN  31   4.916  -2.000  -4.802
  248   2HB   GLN  31          1HB       GLN  31   6.650  -1.710  -4.839
  249   1HG   GLN  31          2HG       GLN  31   6.931  -4.210  -5.061
  250   2HG   GLN  31          1HG       GLN  31   5.190  -4.287  -5.328
  251   1HE2  GLN  31          1HE2      GLN  31   7.084  -5.138  -7.195
  252   2HE2  GLN  31          2HE2      GLN  31   6.986  -4.114  -8.581
  253    H    THR  32           H        THR  32   7.197  -0.469  -2.848
  254    HA   THR  32           HA       THR  32   5.186   0.634  -1.003
  255    HB   THR  32           HB       THR  32   6.854   1.817   0.130
  256    HG1  THR  32           1HG      THR  32   8.941   2.103  -0.725
  257   1HG2  THR  32          1HG2      THR  32   7.117  -0.846   0.061
  258   2HG2  THR  32          2HG2      THR  32   8.149   0.212   1.024
  259   3HG2  THR  32          3HG2      THR  32   8.703  -0.371  -0.546
  260    H    PHE  33           H        PHE  33   5.004   3.028  -0.983
  261    HA   PHE  33           HA       PHE  33   5.722   4.415  -3.417
  262   1HB   PHE  33          2HB       PHE  33   3.280   5.177  -3.740
  263   2HB   PHE  33          1HB       PHE  33   3.735   3.590  -4.337
  264    HD1  PHE  33           1HD      PHE  33   1.232   5.323  -2.766
  265    HD2  PHE  33           2HD      PHE  33   3.414   1.689  -2.397
  266    HE1  PHE  33           1HE      PHE  33  -0.634   4.331  -1.504
  267    HE2  PHE  33           2HE      PHE  33   1.559   0.698  -1.132
  268    HZ   PHE  33           HZ       PHE  33  -0.470   2.013  -0.690
  269    H    VAL  34           H        VAL  34   5.304   6.718  -3.291
  270    HA   VAL  34           HA       VAL  34   5.683   7.669  -0.595
  271    HB   VAL  34           HB       VAL  34   5.595   9.276  -3.147
  272   1HG1  VAL  34          1HG1      VAL  34   5.335  10.495  -0.968
  273   2HG1  VAL  34          2HG1      VAL  34   6.734  10.979  -1.929
  274   3HG1  VAL  34          3HG1      VAL  34   6.946   9.921  -0.533
  275   1HG2  VAL  34          1HG2      VAL  34   7.717   8.713  -3.628
  276   2HG2  VAL  34          2HG2      VAL  34   7.376   7.287  -2.648
  277   3HG2  VAL  34          3HG2      VAL  34   8.198   8.674  -1.933
  278    H    TYR  35           H        TYR  35   3.441   6.991  -0.044
  279    HA   TYR  35           HA       TYR  35   1.159   8.315  -1.013
  280   1HB   TYR  35          2HB       TYR  35   0.830   6.304   0.224
  281   2HB   TYR  35          1HB       TYR  35   1.774   6.905   1.581
  282    HD1  TYR  35           1HD      TYR  35  -0.941   8.605  -0.231
  283    HD2  TYR  35           2HD      TYR  35   0.306   6.772   3.350
  284    HE1  TYR  35           1HE      TYR  35  -3.002   9.384   0.863
  285    HE2  TYR  35           2HE      TYR  35  -1.748   7.524   4.476
  286    HH   TYR  35           HH       TYR  35  -4.297   9.194   2.694
  287    H    GLY  36           H        GLY  36   0.125  10.239  -0.365
  288   1HA   GLY  36          2HA       GLY  36   1.755  11.913   1.424
  289   2HA   GLY  36          1HA       GLY  36   0.829  12.541   0.081
  290    H    GLY  37           H        GLY  37  -0.515  10.195   2.354
  291   1HA   GLY  37          2HA       GLY  37  -2.183  10.405   3.900
  292   2HA   GLY  37          1HA       GLY  37  -1.575  12.013   4.176
  293    H    CYS  38           H        CYS  38  -2.671  11.259   1.015
  294    HA   CYS  38           HA       CYS  38  -5.164  12.731   1.566
  295   1HB   CYS  38          2HB       CYS  38  -3.123  13.185  -0.421
  296   2HB   CYS  38          1HB       CYS  38  -4.673  12.884  -1.194
  297    H    ARG  39           H        ARG  39  -6.932  11.590   1.415
  298    HA   ARG  39           HA       ARG  39  -8.393   9.914   0.960
  299   1HB   ARG  39          2HB       ARG  39  -7.317  10.798  -1.631
  300   2HB   ARG  39          1HB       ARG  39  -8.083   9.219  -1.655
  301   1HG   ARG  39          2HG       ARG  39  -9.559  11.376  -0.285
  302   2HG   ARG  39          1HG       ARG  39  -9.420  11.492  -2.041
  303   1HD   ARG  39          2HD       ARG  39 -11.448  10.305  -1.413
  304   2HD   ARG  39          1HD       ARG  39 -10.336   9.234  -2.261
  305    HE   ARG  39           HE       ARG  39  -9.716   8.703   0.274
  306   1HH1  ARG  39          1HH1      ARG  39 -12.830   8.977  -1.289
  307   2HH1  ARG  39          2HH1      ARG  39 -13.605   7.869  -0.208
  308   1HH2  ARG  39          1HH2      ARG  39 -10.739   7.249   1.692
  309   2HH2  ARG  39          2HH2      ARG  39 -12.421   6.889   1.482
  310    H    ALA  40           H        ALA  40  -6.712   8.706   2.361
  311    HA   ALA  40           HA       ALA  40  -4.953   6.824   1.335
  312   1HB   ALA  40          1HB       ALA  40  -6.659   6.608   3.808
  313   2HB   ALA  40          2HB       ALA  40  -5.067   7.356   3.703
  314   3HB   ALA  40          3HB       ALA  40  -5.241   5.620   3.453
  315    H    LYS  41           H        LYS  41  -5.098   4.651   0.800
  316    HA   LYS  41           HA       LYS  41  -7.786   3.750   0.031
  317   1HB   LYS  41          2HB       LYS  41  -5.145   3.607  -1.244
  318   2HB   LYS  41          1HB       LYS  41  -6.040   2.094  -1.286
  319   1HG   LYS  41          2HG       LYS  41  -7.506   4.547  -2.054
  320   2HG   LYS  41          1HG       LYS  41  -6.273   3.949  -3.168
  321   1HD   LYS  41          2HD       LYS  41  -7.339   1.795  -3.264
  322   2HD   LYS  41          1HD       LYS  41  -8.505   2.276  -2.033
  323   1HE   LYS  41          2HE       LYS  41  -9.720   3.546  -3.485
  324   2HE   LYS  41          1HE       LYS  41  -8.319   3.951  -4.476
  325   1HZ   LYS  41          1HZ       LYS  41 -10.039   1.574  -4.573
  326   2HZ   LYS  41          2HZ       LYS  41  -8.425   1.433  -5.058
  327   3HZ   LYS  41          3HZ       LYS  41  -9.450   2.528  -5.841
  328    H    ARG  42           H        ARG  42  -7.432   1.093  -0.307
  329    HA   ARG  42           HA       ARG  42  -7.162   0.172   2.446
  330   1HB   ARG  42          2HB       ARG  42  -8.183  -1.193  -0.056
  331   2HB   ARG  42          1HB       ARG  42  -8.103  -1.968   1.529
  332   1HG   ARG  42          2HG       ARG  42  -9.907  -0.873   2.302
  333   2HG   ARG  42          1HG       ARG  42  -9.501   0.622   1.456
  334   1HD   ARG  42          2HD       ARG  42 -10.105  -1.182  -0.568
  335   2HD   ARG  42          1HD       ARG  42 -11.296  -1.516   0.685
  336    HE   ARG  42           HE       ARG  42 -10.926   1.038  -0.717
  337   1HH1  ARG  42          1HH1      ARG  42 -12.813  -0.983   1.429
  338   2HH1  ARG  42          2HH1      ARG  42 -14.196   0.055   1.379
  339   1HH2  ARG  42          1HH2      ARG  42 -12.747   2.396  -0.769
  340   2HH2  ARG  42          2HH2      ARG  42 -14.161   1.969   0.137
  341    H    ASN  43           H        ASN  43  -5.604  -0.227  -0.674
  342    HA   ASN  43           HA       ASN  43  -3.834  -2.280   0.386
  343   1HB   ASN  43          2HB       ASN  43  -4.858  -2.261  -1.989
  344   2HB   ASN  43          1HB       ASN  43  -3.618  -1.069  -2.357
  345   1HD2  ASN  43          1HD2      ASN  43  -3.229  -2.937  -3.911
  346   2HD2  ASN  43          2HD2      ASN  43  -2.074  -4.115  -3.403
  347    H    ASN  44           H        ASN  44  -3.198  -0.473   1.936
  348    HA   ASN  44           HA       ASN  44  -0.597   0.424   1.153
  349   1HB   ASN  44          2HB       ASN  44  -0.923   2.668   1.026
  350   2HB   ASN  44          1HB       ASN  44  -2.528   2.150   0.542
  351   1HD2  ASN  44          1HD2      ASN  44  -1.182   4.484   2.048
  352   2HD2  ASN  44          2HD2      ASN  44  -2.265   4.760   3.374
  353    H    PHE  45           H        PHE  45   0.493  -0.476   2.769
  354    HA   PHE  45           HA       PHE  45  -0.561  -0.242   5.505
  355   1HB   PHE  45          2HB       PHE  45   1.693  -2.046   4.623
  356   2HB   PHE  45          1HB       PHE  45   0.715  -2.159   6.082
  357    HD1  PHE  45           1HD      PHE  45  -1.529  -3.080   6.013
  358    HD2  PHE  45           2HD      PHE  45   0.861  -2.847   2.499
  359    HE1  PHE  45           1HE      PHE  45  -3.071  -4.616   4.866
  360    HE2  PHE  45           2HE      PHE  45  -0.676  -4.384   1.345
  361    HZ   PHE  45           HZ       PHE  45  -2.647  -5.271   2.529
  362    H    LYS  46           H        LYS  46   1.053   0.031   7.240
  363    HA   LYS  46           HA       LYS  46   2.784   2.248   6.612
  364   1HB   LYS  46          2HB       LYS  46   1.302   1.546   8.813
  365   2HB   LYS  46          1HB       LYS  46   2.933   1.130   9.321
  366   1HG   LYS  46          2HG       LYS  46   3.390   3.565   8.298
  367   2HG   LYS  46          1HG       LYS  46   1.714   3.763   8.815
  368   1HD   LYS  46          2HD       LYS  46   2.623   4.262  10.810
  369   2HD   LYS  46          1HD       LYS  46   2.795   2.513  10.974
  370   1HE   LYS  46          2HE       LYS  46   5.013   3.482   9.486
  371   2HE   LYS  46          1HE       LYS  46   4.825   4.504  10.910
  372   1HZ   LYS  46          1HZ       LYS  46   4.854   1.545  11.056
  373   2HZ   LYS  46          2HZ       LYS  46   5.011   2.649  12.328
  374   3HZ   LYS  46          3HZ       LYS  46   6.255   2.482  11.195
  375    H    SER  47           H        SER  47   3.092  -1.161   7.078
  376    HA   SER  47           HA       SER  47   5.961  -0.922   6.641
  377   1HB   SER  47          2HB       SER  47   5.849  -2.978   8.502
  378   2HB   SER  47          1HB       SER  47   6.451  -1.346   8.782
  379    HG   SER  47           HG       SER  47   4.516  -0.774   9.646
  380    H    ALA  48           H        ALA  48   6.956  -2.761   5.802
  381    HA   ALA  48           HA       ALA  48   5.471  -4.216   3.946
  382   1HB   ALA  48          1HB       ALA  48   8.140  -4.995   5.118
  383   2HB   ALA  48          2HB       ALA  48   7.911  -3.825   3.818
  384   3HB   ALA  48          3HB       ALA  48   7.470  -5.515   3.572
  385    H    GLU  49           H        GLU  49   6.209  -4.856   7.290
  386    HA   GLU  49           HA       GLU  49   5.645  -7.617   7.328
  387   1HB   GLU  49          2HB       GLU  49   5.784  -5.452   9.380
  388   2HB   GLU  49          1HB       GLU  49   5.019  -6.970   9.828
  389   1HG   GLU  49          2HG       GLU  49   7.760  -6.860   8.620
  390   2HG   GLU  49          1HG       GLU  49   7.484  -6.708  10.354
  391    H    ASP  50           H        ASP  50   3.602  -4.769   7.881
  392    HA   ASP  50           HA       ASP  50   1.248  -6.221   8.481
  393   1HB   ASP  50          2HB       ASP  50   1.990  -3.479   8.215
  394   2HB   ASP  50          1HB       ASP  50   0.580  -3.753   7.193
  395    H    CYS  51           H        CYS  51   2.687  -4.998   5.517
  396    HA   CYS  51           HA       CYS  51   0.610  -5.555   3.714
  397   1HB   CYS  51          2HB       CYS  51   2.994  -4.397   3.462
  398   2HB   CYS  51          1HB       CYS  51   3.468  -6.007   2.945
  399    H    LEU  52           H        LEU  52   3.527  -7.451   4.423
  400    HA   LEU  52           HA       LEU  52   2.766  -9.753   3.026
  401   1HB   LEU  52          2HB       LEU  52   4.568  -9.440   5.433
  402   2HB   LEU  52          1HB       LEU  52   4.404 -10.934   4.529
  403    HG   LEU  52           HG       LEU  52   5.276  -8.375   3.210
  404   1HD1  LEU  52          1HD1      LEU  52   7.301  -8.487   4.105
  405   2HD1  LEU  52          2HD1      LEU  52   7.442 -10.195   3.691
  406   3HD1  LEU  52          3HD1      LEU  52   6.700  -9.715   5.217
  407   1HD2  LEU  52          1HD2      LEU  52   4.447 -10.564   2.018
  408   2HD2  LEU  52          2HD2      LEU  52   6.079 -11.122   2.388
  409   3HD2  LEU  52          3HD2      LEU  52   5.842  -9.674   1.410
  410    H    ARG  53           H        ARG  53   1.977  -8.620   6.233
  411    HA   ARG  53           HA       ARG  53   0.864 -11.058   7.182
  412   1HB   ARG  53          2HB       ARG  53   0.666  -8.182   8.019
  413   2HB   ARG  53          1HB       ARG  53  -0.408  -9.377   8.733
  414   1HG   ARG  53          2HG       ARG  53   2.577  -9.696   8.720
  415   2HG   ARG  53          1HG       ARG  53   1.711  -8.850  10.003
  416   1HD   ARG  53          2HD       ARG  53   1.790 -10.953  10.897
  417   2HD   ARG  53          1HD       ARG  53   0.264 -11.049  10.018
  418    HE   ARG  53           HE       ARG  53   2.281 -11.884   8.291
  419   1HH1  ARG  53          1HH1      ARG  53   0.821 -12.920  11.286
  420   2HH1  ARG  53          2HH1      ARG  53   1.129 -14.600  11.001
  421   1HH2  ARG  53          1HH2      ARG  53   2.687 -14.093   7.914
  422   2HH2  ARG  53          2HH2      ARG  53   2.189 -15.266   9.087
  423    H    THR  54           H        THR  54  -0.249  -8.480   5.130
  424    HA   THR  54           HA       THR  54  -3.031  -9.282   5.328
  425    HB   THR  54           HB       THR  54  -1.648  -7.206   3.616
  426    HG1  THR  54           1HG      THR  54  -3.155  -7.113   6.004
  427   1HG2  THR  54          1HG2      THR  54  -3.507  -7.400   2.349
  428   2HG2  THR  54          2HG2      THR  54  -4.183  -6.395   3.631
  429   3HG2  THR  54          3HG2      THR  54  -4.450  -8.138   3.644
  430    H    CYS  55           H        CYS  55  -0.753  -8.974   2.551
  431    HA   CYS  55           HA       CYS  55  -2.084 -11.333   1.405
  432   1HB   CYS  55          2HB       CYS  55  -2.260  -8.788   0.447
  433   2HB   CYS  55          1HB       CYS  55  -0.938  -9.439  -0.513
  434    H    GLY  56           H        GLY  56   0.362 -11.247   2.977
  435   1HA   GLY  56          2HA       GLY  56   2.496 -11.653   1.026
  436   2HA   GLY  56          1HA       GLY  56   2.670 -11.678   2.775
  437    H    GLY  57           H        GLY  57   1.986 -13.581   3.931
  438   1HA   GLY  57          2HA       GLY  57   2.313 -15.998   2.286
  439   2HA   GLY  57          1HA       GLY  57   2.607 -15.884   4.015
  440    H    ALA  58           H        ALA  58   1.155 -16.885   5.227
  441    HA   ALA  58           HA       ALA  58  -1.423 -17.602   4.096
  442   1HB   ALA  58          1HB       ALA  58  -1.517 -19.273   5.640
  443   2HB   ALA  58          2HB       ALA  58  -0.716 -18.317   6.888
  444   3HB   ALA  58          3HB       ALA  58   0.231 -19.042   5.588
  Start of MODEL    6
    1   1H    ARG   1          1HT       ARG   1  -5.822 -15.465  -1.493
    2   2H    ARG   1          2HT       ARG   1  -7.493 -15.074  -1.508
    3   3H    ARG   1          3HT       ARG   1  -6.518 -14.628  -0.169
    4    HA   ARG   1           HA       ARG   1  -5.420 -13.015  -1.327
    5   1HB   ARG   1          2HB       ARG   1  -6.493 -14.478  -3.730
    6   2HB   ARG   1          1HB       ARG   1  -5.883 -12.835  -3.862
    7   1HG   ARG   1          2HG       ARG   1  -3.701 -13.500  -3.209
    8   2HG   ARG   1          1HG       ARG   1  -4.266 -15.104  -2.734
    9   1HD   ARG   1          2HD       ARG   1  -4.237 -15.875  -4.847
   10   2HD   ARG   1          1HD       ARG   1  -4.857 -14.368  -5.512
   11    HE   ARG   1           HE       ARG   1  -2.584 -13.497  -5.410
   12   1HH1  ARG   1          1HH1      ARG   1  -2.948 -16.970  -5.145
   13   2HH1  ARG   1          2HH1      ARG   1  -1.338 -17.296  -5.685
   14   1HH2  ARG   1          1HH2      ARG   1  -0.475 -13.941  -6.118
   15   2HH2  ARG   1          2HH2      ARG   1   0.064 -15.583  -6.237
   16    HA   PRO   2           HA       PRO   2  -9.610 -11.284  -0.508
   17   1HB   PRO   2          2HB       PRO   2  -7.899  -9.011   0.283
   18   2HB   PRO   2          1HB       PRO   2  -9.229  -9.772   1.162
   19   1HG   PRO   2          2HG       PRO   2  -6.666 -10.120   1.875
   20   2HG   PRO   2          1HG       PRO   2  -7.874 -11.408   2.048
   21   1HD   PRO   2          2HD       PRO   2  -5.702 -11.110   0.035
   22   2HD   PRO   2          1HD       PRO   2  -6.392 -12.581   0.743
   23    H    ASP   3           H        ASP   3 -10.780  -9.763  -1.647
   24    HA   ASP   3           HA       ASP   3  -9.981  -9.098  -4.220
   25   1HB   ASP   3          2HB       ASP   3 -11.906  -7.456  -4.148
   26   2HB   ASP   3          1HB       ASP   3 -12.308  -9.115  -3.709
   27    H    PHE   4           H        PHE   4 -10.001  -7.035  -1.313
   28    HA   PHE   4           HA       PHE   4  -9.176  -4.678  -2.493
   29   1HB   PHE   4          2HB       PHE   4  -8.610  -3.949  -0.293
   30   2HB   PHE   4          1HB       PHE   4 -10.032  -4.964  -0.170
   31    HD1  PHE   4           1HD      PHE   4 -10.064  -6.791   1.256
   32    HD2  PHE   4           2HD      PHE   4  -6.344  -4.984   0.257
   33    HE1  PHE   4           1HE      PHE   4  -8.943  -8.176   2.948
   34    HE2  PHE   4           2HE      PHE   4  -5.214  -6.370   1.951
   35    HZ   PHE   4           HZ       PHE   4  -6.517  -7.976   3.292
   36    H    CYS   5           H        CYS   5  -7.293  -7.533  -1.765
   37    HA   CYS   5           HA       CYS   5  -4.752  -6.349  -1.611
   38   1HB   CYS   5          2HB       CYS   5  -5.727  -9.080  -2.333
   39   2HB   CYS   5          1HB       CYS   5  -4.048  -8.669  -2.653
   40    H    LEU   6           H        LEU   6  -6.857  -6.897  -4.297
   41    HA   LEU   6           HA       LEU   6  -4.765  -6.481  -6.269
   42   1HB   LEU   6          2HB       LEU   6  -7.699  -6.525  -6.879
   43   2HB   LEU   6          1HB       LEU   6  -6.357  -6.993  -7.904
   44    HG   LEU   6           HG       LEU   6  -6.759  -8.609  -5.453
   45   1HD1  LEU   6          1HD1      LEU   6  -8.794  -9.383  -5.884
   46   2HD1  LEU   6          2HD1      LEU   6  -8.423  -9.605  -7.594
   47   3HD1  LEU   6          3HD1      LEU   6  -8.986  -8.039  -7.009
   48   1HD2  LEU   6          1HD2      LEU   6  -6.471  -9.760  -8.160
   49   2HD2  LEU   6          2HD2      LEU   6  -5.693 -10.212  -6.644
   50   3HD2  LEU   6          3HD2      LEU   6  -5.113  -8.815  -7.550
   51    H    GLU   7           H        GLU   7  -5.569  -4.364  -4.276
   52    HA   GLU   7           HA       GLU   7  -6.597  -2.298  -6.077
   53   1HB   GLU   7          2HB       GLU   7  -7.454  -2.762  -3.650
   54   2HB   GLU   7          1HB       GLU   7  -6.028  -1.852  -3.168
   55   1HG   GLU   7          2HG       GLU   7  -7.129  -0.248  -5.092
   56   2HG   GLU   7          1HG       GLU   7  -8.549  -0.933  -4.304
   57    HA   PRO   8           HA       PRO   8  -2.317  -1.091  -6.771
   58   1HB   PRO   8          2HB       PRO   8  -3.647   1.335  -7.845
   59   2HB   PRO   8          1HB       PRO   8  -2.449   0.280  -8.601
   60   1HG   PRO   8          2HG       PRO   8  -5.009   0.203  -9.348
   61   2HG   PRO   8          1HG       PRO   8  -4.035  -1.275  -9.256
   62   1HD   PRO   8          2HD       PRO   8  -6.113  -0.252  -7.369
   63   2HD   PRO   8          1HD       PRO   8  -5.762  -1.920  -7.869
   64    HA   PRO   9           HA       PRO   9  -1.454   1.775  -3.521
   65   1HB   PRO   9          2HB       PRO   9   0.749   3.046  -4.417
   66   2HB   PRO   9          1HB       PRO   9   0.767   1.344  -3.943
   67   1HG   PRO   9          2HG       PRO   9   0.600   2.544  -6.683
   68   2HG   PRO   9          1HG       PRO   9   1.583   1.176  -6.117
   69   1HD   PRO   9          2HD       PRO   9  -0.763   0.866  -7.460
   70   2HD   PRO   9          1HD       PRO   9  -0.171  -0.304  -6.260
   71    H    TYR  10           H        TYR  10  -2.444   3.608  -2.953
   72    HA   TYR  10           HA       TYR  10  -2.908   5.660  -5.022
   73   1HB   TYR  10          2HB       TYR  10  -4.845   4.428  -3.772
   74   2HB   TYR  10          1HB       TYR  10  -4.451   5.525  -2.452
   75    HD1  TYR  10           1HD      TYR  10  -5.676   7.471  -2.338
   76    HD2  TYR  10           2HD      TYR  10  -5.006   5.700  -6.148
   77    HE1  TYR  10           1HE      TYR  10  -7.034   9.231  -3.386
   78    HE2  TYR  10           2HE      TYR  10  -6.360   7.457  -7.208
   79    HH   TYR  10           HH       TYR  10  -8.284   9.647  -5.387
   80    H    THR  11           H        THR  11  -1.936   7.547  -4.831
   81    HA   THR  11           HA       THR  11  -0.524   8.221  -2.349
   82    HB   THR  11           HB       THR  11  -0.415   9.526  -5.080
   83    HG1  THR  11           1HG      THR  11   0.419   7.477  -5.240
   84   1HG2  THR  11          1HG2      THR  11   1.883  10.232  -4.175
   85   2HG2  THR  11          2HG2      THR  11   1.180   9.932  -2.585
   86   3HG2  THR  11          3HG2      THR  11   0.457  11.130  -3.659
   87    H    GLY  12           H        GLY  12  -3.464   8.876  -3.820
   88   1HA   GLY  12          2HA       GLY  12  -5.092  10.426  -3.542
   89   2HA   GLY  12          1HA       GLY  12  -4.378  10.619  -1.952
   90    HA   PRO  13           HA       PRO  13  -3.743  14.512  -4.521
   91   1HB   PRO  13          2HB       PRO  13  -5.739  16.085  -3.692
   92   2HB   PRO  13          1HB       PRO  13  -5.992  14.876  -4.958
   93   1HG   PRO  13          2HG       PRO  13  -6.710  14.762  -2.059
   94   2HG   PRO  13          1HG       PRO  13  -7.636  14.211  -3.466
   95   1HD   PRO  13          2HD       PRO  13  -6.115  12.573  -1.831
   96   2HD   PRO  13          1HD       PRO  13  -6.586  12.187  -3.503
   97    H    CYS  14           H        CYS  14  -2.194  13.855  -2.485
   98    HA   CYS  14           HA       CYS  14  -2.256  16.204  -0.702
   99   1HB   CYS  14          2HB       CYS  14  -1.988  13.336  -0.068
  100   2HB   CYS  14          1HB       CYS  14  -0.835  14.392   0.738
  101    H    ARG  15           H        ARG  15  -0.009  16.556   0.286
  102    HA   ARG  15           HA       ARG  15   2.002  16.173  -1.827
  103   1HB   ARG  15          2HB       ARG  15   2.816  18.379  -1.502
  104   2HB   ARG  15          1HB       ARG  15   1.070  18.489  -1.661
  105   1HG   ARG  15          2HG       ARG  15   0.869  18.654   0.776
  106   2HG   ARG  15          1HG       ARG  15   2.628  18.591   0.910
  107   1HD   ARG  15          2HD       ARG  15   2.880  20.668  -0.195
  108   2HD   ARG  15          1HD       ARG  15   1.204  20.664  -0.738
  109    HE   ARG  15           HE       ARG  15   0.555  21.465   1.318
  110   1HH1  ARG  15          1HH1      ARG  15   3.899  20.475   1.459
  111   2HH1  ARG  15          2HH1      ARG  15   4.178  21.206   3.004
  112   1HH2  ARG  15          1HH2      ARG  15   0.919  22.421   3.350
  113   2HH2  ARG  15          2HH2      ARG  15   2.486  22.310   4.079
  114    H    VAL  16           H        VAL  16   1.386  14.965   1.045
  115    HA   VAL  16           HA       VAL  16   3.938  15.485   2.328
  116    HB   VAL  16           HB       VAL  16   2.457  13.256   3.449
  117   1HG1  VAL  16          1HG1      VAL  16   4.007  14.157   4.871
  118   2HG1  VAL  16          2HG1      VAL  16   2.540  14.956   5.436
  119   3HG1  VAL  16          3HG1      VAL  16   3.659  15.813   4.377
  120   1HG2  VAL  16          1HG2      VAL  16   0.706  14.969   4.422
  121   2HG2  VAL  16          2HG2      VAL  16   0.395  14.100   2.919
  122   3HG2  VAL  16          3HG2      VAL  16   0.967  15.768   2.872
  123    H    ARG  17           H        ARG  17   5.400  13.754   2.904
  124    HA   ARG  17           HA       ARG  17   5.529  11.713   0.792
  125   1HB   ARG  17          2HB       ARG  17   7.447  13.482   1.688
  126   2HB   ARG  17          1HB       ARG  17   7.888  11.987   2.502
  127   1HG   ARG  17          2HG       ARG  17   8.435  10.928   0.566
  128   2HG   ARG  17          1HG       ARG  17   7.281  11.852  -0.397
  129   1HD   ARG  17          2HD       ARG  17   9.224  13.652   0.641
  130   2HD   ARG  17          1HD       ARG  17  10.068  12.282  -0.075
  131    HE   ARG  17           HE       ARG  17   9.059  12.787  -2.161
  132   1HH1  ARG  17          1HH1      ARG  17   8.384  15.173   0.307
  133   2HH1  ARG  17          2HH1      ARG  17   7.936  16.395  -0.832
  134   1HH2  ARG  17          1HH2      ARG  17   8.467  14.398  -3.647
  135   2HH2  ARG  17          2HH2      ARG  17   7.980  15.958  -3.071
  136    H    ILE  18           H        ILE  18   4.674   9.827   1.387
  137    HA   ILE  18           HA       ILE  18   5.424   8.732   4.012
  138    HB   ILE  18           HB       ILE  18   2.682   8.528   2.777
  139   1HG1  ILE  18          2HG1      ILE  18   3.775  10.214   5.018
  140   2HG1  ILE  18          1HG1      ILE  18   2.841  10.728   3.618
  141   1HG2  ILE  18          1HG2      ILE  18   3.124   7.756   5.582
  142   2HG2  ILE  18          2HG2      ILE  18   3.818   6.685   4.366
  143   3HG2  ILE  18          3HG2      ILE  18   2.090   7.032   4.350
  144   1HD1  ILE  18          1HD1      ILE  18   1.087  10.750   4.966
  145   2HD1  ILE  18          2HD1      ILE  18   1.948   9.870   6.228
  146   3HD1  ILE  18          3HD1      ILE  18   1.147   8.988   4.927
  147    H    ILE  19           H        ILE  19   6.853   7.221   3.298
  148    HA   ILE  19           HA       ILE  19   6.532   5.671   0.959
  149    HB   ILE  19           HB       ILE  19   8.245   5.201   3.406
  150   1HG1  ILE  19          2HG1      ILE  19   9.879   5.789   1.247
  151   2HG1  ILE  19          1HG1      ILE  19   8.504   6.863   1.019
  152   1HG2  ILE  19          1HG2      ILE  19   8.687   3.169   2.626
  153   2HG2  ILE  19          2HG2      ILE  19   9.353   3.902   1.167
  154   3HG2  ILE  19          3HG2      ILE  19   7.651   3.442   1.226
  155   1HD1  ILE  19          1HD1      ILE  19  10.450   6.747   3.281
  156   2HD1  ILE  19          2HD1      ILE  19   8.858   7.479   3.492
  157   3HD1  ILE  19          3HD1      ILE  19   9.972   8.122   2.284
  158    H    ARG  20           H        ARG  20   4.424   4.873   1.090
  159    HA   ARG  20           HA       ARG  20   3.756   3.064   3.264
  160   1HB   ARG  20          2HB       ARG  20   2.223   4.258   0.989
  161   2HB   ARG  20          1HB       ARG  20   1.581   2.862   1.837
  162   1HG   ARG  20          2HG       ARG  20   2.341   5.462   3.150
  163   2HG   ARG  20          1HG       ARG  20   0.704   5.016   2.666
  164   1HD   ARG  20          2HD       ARG  20   0.498   3.445   4.319
  165   2HD   ARG  20          1HD       ARG  20   2.228   3.133   4.386
  166    HE   ARG  20           HE       ARG  20   2.495   4.958   5.812
  167   1HH1  ARG  20          1HH1      ARG  20  -0.845   4.582   4.845
  168   2HH1  ARG  20          2HH1      ARG  20  -1.449   5.613   6.095
  169   1HH2  ARG  20          1HH2      ARG  20   1.697   6.317   7.449
  170   2HH2  ARG  20          2HH2      ARG  20  -0.008   6.601   7.573
  171    H    TYR  21           H        TYR  21   2.599   0.982   2.601
  172    HA   TYR  21           HA       TYR  21   4.197  -0.356   0.514
  173   1HB   TYR  21          2HB       TYR  21   3.159  -1.346   3.166
  174   2HB   TYR  21          1HB       TYR  21   3.792  -2.428   1.927
  175    HD1  TYR  21           1HD      TYR  21   4.620   0.094   4.443
  176    HD2  TYR  21           2HD      TYR  21   6.179  -2.460   1.417
  177    HE1  TYR  21           1HE      TYR  21   6.889   0.435   5.329
  178    HE2  TYR  21           2HE      TYR  21   8.451  -2.123   2.294
  179    HH   TYR  21           HH       TYR  21   9.495   0.095   3.891
  180    H    PHE  22           H        PHE  22   3.166  -1.879  -0.815
  181    HA   PHE  22           HA       PHE  22   0.319  -2.363  -0.459
  182   1HB   PHE  22          2HB       PHE  22  -0.396  -1.567  -2.569
  183   2HB   PHE  22          1HB       PHE  22   0.576  -0.280  -1.887
  184    HD1  PHE  22           1HD      PHE  22  -0.011  -2.287  -4.710
  185    HD2  PHE  22           2HD      PHE  22   3.092  -0.254  -2.623
  186    HE1  PHE  22           1HE      PHE  22   1.363  -2.300  -6.751
  187    HE2  PHE  22           2HE      PHE  22   4.471  -0.262  -4.661
  188    HZ   PHE  22           HZ       PHE  22   3.609  -1.291  -6.727
  189    H    TYR  23           H        TYR  23  -0.476  -3.856  -2.231
  190    HA   TYR  23           HA       TYR  23   1.545  -5.974  -2.617
  191   1HB   TYR  23          2HB       TYR  23  -0.465  -6.626  -1.382
  192   2HB   TYR  23          1HB       TYR  23  -1.484  -6.089  -2.722
  193    HD1  TYR  23           1HD      TYR  23   1.334  -8.438  -2.005
  194    HD2  TYR  23           2HD      TYR  23  -2.169  -7.653  -4.288
  195    HE1  TYR  23           1HE      TYR  23   1.504 -10.670  -3.025
  196    HE2  TYR  23           2HE      TYR  23  -2.011  -9.882  -5.310
  197    HH   TYR  23           HH       TYR  23   0.104 -12.300  -4.136
  198    H    ASN  24           H        ASN  24   2.557  -5.396  -4.514
  199    HA   ASN  24           HA       ASN  24   1.242  -4.391  -6.795
  200   1HB   ASN  24          2HB       ASN  24   3.673  -4.153  -6.297
  201   2HB   ASN  24          1HB       ASN  24   3.879  -5.872  -6.661
  202   1HD2  ASN  24          1HD2      ASN  24   3.092  -2.731  -7.977
  203   2HD2  ASN  24          2HD2      ASN  24   3.400  -3.143  -9.649
  204    H    ALA  25           H        ALA  25  -0.029  -5.402  -8.202
  205    HA   ALA  25           HA       ALA  25  -0.278  -8.290  -8.112
  206   1HB   ALA  25          1HB       ALA  25  -1.976  -6.089  -8.801
  207   2HB   ALA  25          2HB       ALA  25  -2.400  -7.770  -8.484
  208   3HB   ALA  25          3HB       ALA  25  -1.959  -7.266 -10.114
  209    H    LYS  26           H        LYS  26   2.026  -6.693  -9.470
  210    HA   LYS  26           HA       LYS  26   1.882  -8.062 -12.080
  211   1HB   LYS  26          2HB       LYS  26   3.058  -5.457 -11.233
  212   2HB   LYS  26          1HB       LYS  26   3.910  -6.367 -12.471
  213   1HG   LYS  26          2HG       LYS  26   1.128  -6.308 -13.107
  214   2HG   LYS  26          1HG       LYS  26   1.684  -4.668 -12.770
  215   1HD   LYS  26          2HD       LYS  26   2.386  -4.662 -14.897
  216   2HD   LYS  26          1HD       LYS  26   3.713  -5.670 -14.317
  217   1HE   LYS  26          2HE       LYS  26   1.293  -7.191 -14.881
  218   2HE   LYS  26          1HE       LYS  26   1.907  -6.333 -16.293
  219   1HZ   LYS  26          1HZ       LYS  26   3.851  -7.520 -16.282
  220   2HZ   LYS  26          2HZ       LYS  26   2.775  -8.697 -15.721
  221   3HZ   LYS  26          3HZ       LYS  26   3.774  -7.878 -14.631
  222    H    ALA  27           H        ALA  27   3.766  -7.415  -9.215
  223    HA   ALA  27           HA       ALA  27   5.733  -9.447 -10.020
  224   1HB   ALA  27          1HB       ALA  27   5.992  -6.893  -8.734
  225   2HB   ALA  27          2HB       ALA  27   7.251  -7.982  -9.314
  226   3HB   ALA  27          3HB       ALA  27   6.614  -8.162  -7.679
  227    H    GLY  28           H        GLY  28   2.988  -9.008  -8.160
  228   1HA   GLY  28          2HA       GLY  28   1.926 -10.339  -6.667
  229   2HA   GLY  28          1HA       GLY  28   3.170 -11.496  -7.005
  230    H    LEU  29           H        LEU  29   4.602  -8.747  -6.032
  231    HA   LEU  29           HA       LEU  29   4.779  -9.682  -3.248
  232   1HB   LEU  29          2HB       LEU  29   6.874  -8.313  -4.934
  233   2HB   LEU  29          1HB       LEU  29   7.048  -8.656  -3.224
  234    HG   LEU  29           HG       LEU  29   6.423 -10.952  -5.003
  235   1HD1  LEU  29          1HD1      LEU  29   9.268 -10.576  -4.855
  236   2HD1  LEU  29          2HD1      LEU  29   8.509  -9.213  -5.678
  237   3HD1  LEU  29          3HD1      LEU  29   8.245 -10.856  -6.264
  238   1HD2  LEU  29          1HD2      LEU  29   6.719 -11.781  -2.929
  239   2HD2  LEU  29          2HD2      LEU  29   7.699 -10.413  -2.403
  240   3HD2  LEU  29          3HD2      LEU  29   8.425 -11.703  -3.363
  241    H    CYS  30           H        CYS  30   5.509  -7.891  -1.712
  242    HA   CYS  30           HA       CYS  30   3.738  -5.641  -2.111
  243   1HB   CYS  30          2HB       CYS  30   5.147  -6.892   0.203
  244   2HB   CYS  30          1HB       CYS  30   4.660  -5.207   0.330
  245    H    GLN  31           H        GLN  31   4.401  -3.683  -2.735
  246    HA   GLN  31           HA       GLN  31   7.270  -3.053  -2.499
  247   1HB   GLN  31          2HB       GLN  31   5.442  -2.026  -4.666
  248   2HB   GLN  31          1HB       GLN  31   7.189  -1.869  -4.579
  249   1HG   GLN  31          2HG       GLN  31   6.077  -4.610  -4.609
  250   2HG   GLN  31          1HG       GLN  31   5.972  -3.673  -6.098
  251   1HE2  GLN  31          1HE2      GLN  31   7.415  -5.004  -7.170
  252   2HE2  GLN  31          2HE2      GLN  31   9.109  -4.996  -6.830
  253    H    THR  32           H        THR  32   7.707  -0.658  -2.578
  254    HA   THR  32           HA       THR  32   5.813   0.685  -0.793
  255    HB   THR  32           HB       THR  32   7.725   2.191  -0.280
  256    HG1  THR  32           1HG      THR  32   9.259   0.387  -1.831
  257   1HG2  THR  32          1HG2      THR  32   7.314  -0.159   0.816
  258   2HG2  THR  32          2HG2      THR  32   8.735   0.808   1.205
  259   3HG2  THR  32          3HG2      THR  32   8.860  -0.524   0.054
  260    H    PHE  33           H        PHE  33   5.619   3.071  -1.001
  261    HA   PHE  33           HA       PHE  33   6.174   4.249  -3.567
  262   1HB   PHE  33          2HB       PHE  33   3.830   4.808  -4.109
  263   2HB   PHE  33          1HB       PHE  33   4.135   3.082  -4.169
  264    HD1  PHE  33           1HD      PHE  33   3.823   2.088  -1.541
  265    HD2  PHE  33           2HD      PHE  33   1.713   5.270  -3.420
  266    HE1  PHE  33           1HE      PHE  33   1.935   1.734  -0.014
  267    HE2  PHE  33           2HE      PHE  33  -0.181   4.917  -1.893
  268    HZ   PHE  33           HZ       PHE  33  -0.070   3.149  -0.185
  269    H    VAL  34           H        VAL  34   5.438   6.525  -3.643
  270    HA   VAL  34           HA       VAL  34   5.847   7.717  -1.020
  271    HB   VAL  34           HB       VAL  34   5.730   9.081  -3.711
  272   1HG1  VAL  34          1HG1      VAL  34   6.747  10.013  -1.026
  273   2HG1  VAL  34          2HG1      VAL  34   5.320  10.608  -1.875
  274   3HG1  VAL  34          3HG1      VAL  34   6.928  10.896  -2.542
  275   1HG2  VAL  34          1HG2      VAL  34   8.076   8.011  -2.151
  276   2HG2  VAL  34          2HG2      VAL  34   8.218   9.125  -3.511
  277   3HG2  VAL  34          3HG2      VAL  34   7.538   7.516  -3.757
  278    H    TYR  35           H        TYR  35   3.636   7.005  -0.394
  279    HA   TYR  35           HA       TYR  35   1.358   8.241  -1.567
  280   1HB   TYR  35          2HB       TYR  35   0.748   6.345  -0.431
  281   2HB   TYR  35          1HB       TYR  35   1.896   6.621   0.867
  282    HD1  TYR  35           1HD      TYR  35  -1.101   8.315  -0.506
  283    HD2  TYR  35           2HD      TYR  35   0.992   7.051   2.903
  284    HE1  TYR  35           1HE      TYR  35  -2.920   9.192   0.917
  285    HE2  TYR  35           2HE      TYR  35  -0.798   7.877   4.360
  286    HH   TYR  35           HH       TYR  35  -3.597   9.576   3.009
  287    H    GLY  36           H        GLY  36   0.181  10.015  -0.898
  288   1HA   GLY  36          2HA       GLY  36   1.696  12.053   0.418
  289   2HA   GLY  36          1HA       GLY  36   0.067  12.221  -0.203
  290    H    GLY  37           H        GLY  37  -1.674  11.682   1.122
  291   1HA   GLY  37          2HA       GLY  37  -1.853  10.565   3.574
  292   2HA   GLY  37          1HA       GLY  37  -1.222  12.159   3.881
  293    H    CYS  38           H        CYS  38  -3.535  11.194   1.408
  294    HA   CYS  38           HA       CYS  38  -5.453  13.072   2.619
  295   1HB   CYS  38          2HB       CYS  38  -4.696  12.464  -0.201
  296   2HB   CYS  38          1HB       CYS  38  -6.354  12.954   0.128
  297    H    ARG  39           H        ARG  39  -6.286  11.339   3.954
  298    HA   ARG  39           HA       ARG  39  -8.103  10.043   4.450
  299   1HB   ARG  39          2HB       ARG  39  -8.691  10.759   1.757
  300   2HB   ARG  39          1HB       ARG  39  -9.015   9.045   1.946
  301   1HG   ARG  39          2HG       ARG  39 -10.033  10.862   4.051
  302   2HG   ARG  39          1HG       ARG  39 -10.827  10.904   2.476
  303   1HD   ARG  39          2HD       ARG  39 -11.941   9.320   3.941
  304   2HD   ARG  39          1HD       ARG  39 -11.176   8.481   2.596
  305    HE   ARG  39           HE       ARG  39  -9.522   7.662   4.082
  306   1HH1  ARG  39          1HH1      ARG  39 -12.063   9.434   5.709
  307   2HH1  ARG  39          2HH1      ARG  39 -11.703   8.758   7.260
  308   1HH2  ARG  39          1HH2      ARG  39  -9.057   6.782   6.124
  309   2HH2  ARG  39          2HH2      ARG  39 -10.000   7.258   7.497
  310    H    ALA  40           H        ALA  40  -5.644   9.021   2.249
  311    HA   ALA  40           HA       ALA  40  -4.575   7.035   1.951
  312   1HB   ALA  40          1HB       ALA  40  -4.292   7.233   4.390
  313   2HB   ALA  40          2HB       ALA  40  -4.399   5.555   3.858
  314   3HB   ALA  40          3HB       ALA  40  -5.788   6.330   4.619
  315    H    LYS  41           H        LYS  41  -4.887   4.667   1.641
  316    HA   LYS  41           HA       LYS  41  -7.690   4.088   0.948
  317   1HB   LYS  41          2HB       LYS  41  -5.233   3.907  -0.604
  318   2HB   LYS  41          1HB       LYS  41  -6.129   2.395  -0.607
  319   1HG   LYS  41          2HG       LYS  41  -6.693   3.897  -2.488
  320   2HG   LYS  41          1HG       LYS  41  -8.078   3.472  -1.480
  321   1HD   LYS  41          2HD       LYS  41  -7.807   5.630  -0.286
  322   2HD   LYS  41          1HD       LYS  41  -6.514   6.051  -1.407
  323   1HE   LYS  41          2HE       LYS  41  -8.004   6.093  -3.250
  324   2HE   LYS  41          1HE       LYS  41  -9.291   5.333  -2.313
  325   1HZ   LYS  41          1HZ       LYS  41  -9.081   7.419  -0.849
  326   2HZ   LYS  41          2HZ       LYS  41  -9.888   7.549  -2.329
  327   3HZ   LYS  41          3HZ       LYS  41  -8.296   8.105  -2.183
  328    H    ARG  42           H        ARG  42  -7.389   1.396   0.303
  329    HA   ARG  42           HA       ARG  42  -7.266   0.250   2.961
  330   1HB   ARG  42          2HB       ARG  42  -8.095  -0.903   0.289
  331   2HB   ARG  42          1HB       ARG  42  -8.147  -1.795   1.813
  332   1HG   ARG  42          2HG       ARG  42 -10.309  -1.054   1.647
  333   2HG   ARG  42          1HG       ARG  42  -9.580   0.225   2.617
  334   1HD   ARG  42          2HD       ARG  42 -10.391   1.655   1.116
  335   2HD   ARG  42          1HD       ARG  42  -9.146   1.058   0.024
  336    HE   ARG  42           HE       ARG  42 -11.447  -0.591  -0.070
  337   1HH1  ARG  42          1HH1      ARG  42 -10.214   2.493  -1.141
  338   2HH1  ARG  42          2HH1      ARG  42 -11.237   2.560  -2.536
  339   1HH2  ARG  42          1HH2      ARG  42 -12.795  -0.505  -1.907
  340   2HH2  ARG  42          2HH2      ARG  42 -12.703   0.857  -2.971
  341    H    ASN  43           H        ASN  43  -5.586  -0.097  -0.140
  342    HA   ASN  43           HA       ASN  43  -3.807  -2.073   1.038
  343   1HB   ASN  43          2HB       ASN  43  -4.841  -2.035  -1.421
  344   2HB   ASN  43          1HB       ASN  43  -3.397  -1.082  -1.742
  345   1HD2  ASN  43          1HD2      ASN  43  -4.671  -4.190  -1.044
  346   2HD2  ASN  43          2HD2      ASN  43  -3.196  -5.075  -1.206
  347    H    ASN  44           H        ASN  44  -3.321  -0.098   2.464
  348    HA   ASN  44           HA       ASN  44  -0.786   1.041   1.515
  349   1HB   ASN  44          2HB       ASN  44  -3.049   2.613   2.766
  350   2HB   ASN  44          1HB       ASN  44  -1.409   3.225   2.599
  351   1HD2  ASN  44          1HD2      ASN  44  -2.692   4.903   1.446
  352   2HD2  ASN  44          2HD2      ASN  44  -2.945   4.678  -0.257
  353    H    PHE  45           H        PHE  45   0.109  -0.618   2.933
  354    HA   PHE  45           HA       PHE  45  -0.446  -0.410   5.773
  355   1HB   PHE  45          2HB       PHE  45   1.765  -2.052   4.557
  356   2HB   PHE  45          1HB       PHE  45   0.880  -2.336   6.052
  357    HD1  PHE  45           1HD      PHE  45  -1.484  -3.096   5.954
  358    HD2  PHE  45           2HD      PHE  45   0.977  -2.884   2.493
  359    HE1  PHE  45           1HE      PHE  45  -3.062  -4.546   4.751
  360    HE2  PHE  45           2HE      PHE  45  -0.594  -4.338   1.281
  361    HZ   PHE  45           HZ       PHE  45  -2.619  -5.169   2.409
  362    H    LYS  46           H        LYS  46   1.334  -0.178   7.330
  363    HA   LYS  46           HA       LYS  46   3.028   2.058   6.550
  364   1HB   LYS  46          2HB       LYS  46   1.717   1.210   8.957
  365   2HB   LYS  46          1HB       LYS  46   3.439   1.391   9.269
  366   1HG   LYS  46          2HG       LYS  46   3.380   3.618   9.055
  367   2HG   LYS  46          1HG       LYS  46   2.216   3.565   7.731
  368   1HD   LYS  46          2HD       LYS  46   1.542   3.104  10.635
  369   2HD   LYS  46          1HD       LYS  46   1.319   4.633   9.782
  370   1HE   LYS  46          2HE       LYS  46  -0.723   3.890   9.275
  371   2HE   LYS  46          1HE       LYS  46   0.075   2.802   8.139
  372   1HZ   LYS  46          1HZ       LYS  46  -1.088   2.231  10.757
  373   2HZ   LYS  46          2HZ       LYS  46   0.291   1.357  10.320
  374   3HZ   LYS  46          3HZ       LYS  46  -1.089   1.298   9.345
  375    H    SER  47           H        SER  47   3.259  -1.310   7.031
  376    HA   SER  47           HA       SER  47   6.146  -1.147   6.683
  377   1HB   SER  47          2HB       SER  47   5.920  -3.232   8.500
  378   2HB   SER  47          1HB       SER  47   6.556  -1.623   8.833
  379    HG   SER  47           HG       SER  47   4.811  -1.168   9.927
  380    H    ALA  48           H        ALA  48   7.117  -3.040   5.875
  381    HA   ALA  48           HA       ALA  48   5.653  -4.411   3.940
  382   1HB   ALA  48          1HB       ALA  48   7.673  -5.102   3.308
  383   2HB   ALA  48          2HB       ALA  48   7.923  -5.959   4.829
  384   3HB   ALA  48          3HB       ALA  48   8.330  -4.247   4.704
  385    H    GLU  49           H        GLU  49   6.287  -5.140   7.302
  386    HA   GLU  49           HA       GLU  49   5.492  -7.847   7.288
  387   1HB   GLU  49          2HB       GLU  49   5.444  -5.784   9.500
  388   2HB   GLU  49          1HB       GLU  49   5.114  -7.493   9.746
  389   1HG   GLU  49          2HG       GLU  49   7.305  -7.490  10.284
  390   2HG   GLU  49          1HG       GLU  49   7.466  -7.728   8.546
  391    H    ASP  50           H        ASP  50   3.695  -4.871   8.072
  392    HA   ASP  50           HA       ASP  50   1.226  -6.056   8.608
  393   1HB   ASP  50          2HB       ASP  50   2.038  -3.346   7.591
  394   2HB   ASP  50          1HB       ASP  50   0.332  -3.778   7.676
  395    H    CYS  51           H        CYS  51   2.773  -5.140   5.596
  396    HA   CYS  51           HA       CYS  51   0.628  -5.519   3.832
  397   1HB   CYS  51          2HB       CYS  51   3.130  -4.653   3.524
  398   2HB   CYS  51          1HB       CYS  51   3.397  -6.321   3.040
  399    H    LEU  52           H        LEU  52   3.358  -7.733   4.402
  400    HA   LEU  52           HA       LEU  52   2.277  -9.975   3.171
  401   1HB   LEU  52          2HB       LEU  52   4.057  -9.961   5.614
  402   2HB   LEU  52          1HB       LEU  52   3.836 -11.299   4.502
  403    HG   LEU  52           HG       LEU  52   5.065  -8.642   3.761
  404   1HD1  LEU  52          1HD1      LEU  52   6.290 -11.278   4.524
  405   2HD1  LEU  52          2HD1      LEU  52   6.583  -9.689   5.230
  406   3HD1  LEU  52          3HD1      LEU  52   7.158 -10.050   3.602
  407   1HD2  LEU  52          1HD2      LEU  52   5.129  -9.337   1.636
  408   2HD2  LEU  52          2HD2      LEU  52   3.880 -10.486   2.117
  409   3HD2  LEU  52          3HD2      LEU  52   5.572 -10.982   2.091
  410    H    ARG  53           H        ARG  53   1.721  -8.673   6.373
  411    HA   ARG  53           HA       ARG  53   0.352 -10.933   7.413
  412   1HB   ARG  53          2HB       ARG  53   1.298  -8.630   8.500
  413   2HB   ARG  53          1HB       ARG  53  -0.420  -8.273   8.435
  414   1HG   ARG  53          2HG       ARG  53  -0.676 -10.607   9.549
  415   2HG   ARG  53          1HG       ARG  53   1.019 -10.378   9.982
  416   1HD   ARG  53          2HD       ARG  53   0.549  -8.777  11.495
  417   2HD   ARG  53          1HD       ARG  53  -0.722  -8.068  10.498
  418    HE   ARG  53           HE       ARG  53  -1.664 -10.510  11.444
  419   1HH1  ARG  53          1HH1      ARG  53  -0.709  -7.409  12.728
  420   2HH1  ARG  53          2HH1      ARG  53  -1.773  -7.506  14.091
  421   1HH2  ARG  53          1HH2      ARG  53  -3.065 -10.637  13.235
  422   2HH2  ARG  53          2HH2      ARG  53  -3.111  -9.338  14.379
  423    H    THR  54           H        THR  54  -0.571  -8.249   5.381
  424    HA   THR  54           HA       THR  54  -3.410  -8.906   5.690
  425    HB   THR  54           HB       THR  54  -2.148  -6.671   4.100
  426    HG1  THR  54           1HG      THR  54  -3.291  -6.564   6.690
  427   1HG2  THR  54          1HG2      THR  54  -4.180  -6.021   3.514
  428   2HG2  THR  54          2HG2      THR  54  -4.772  -6.169   5.169
  429   3HG2  THR  54          3HG2      THR  54  -4.774  -7.573   4.103
  430    H    CYS  55           H        CYS  55  -0.974  -8.654   3.071
  431    HA   CYS  55           HA       CYS  55  -2.861 -10.114   1.354
  432   1HB   CYS  55          2HB       CYS  55  -0.704  -8.122   0.749
  433   2HB   CYS  55          1HB       CYS  55  -1.295  -9.216  -0.499
  434    H    GLY  56           H        GLY  56  -0.255 -10.812   3.219
  435   1HA   GLY  56          2HA       GLY  56   1.442 -12.233   1.465
  436   2HA   GLY  56          1HA       GLY  56   1.321 -12.511   3.194
  437    H    GLY  57           H        GLY  57   0.181 -14.259   3.940
  438   1HA   GLY  57          2HA       GLY  57  -1.841 -15.641   2.641
  439   2HA   GLY  57          1HA       GLY  57  -0.335 -16.362   2.099
  440    H    ALA  58           H        ALA  58  -1.325 -18.281   3.140
  441    HA   ALA  58           HA       ALA  58  -0.441 -18.427   5.932
  442   1HB   ALA  58          1HB       ALA  58  -2.588 -18.399   6.586
  443   2HB   ALA  58          2HB       ALA  58  -2.617 -20.063   6.003
  444   3HB   ALA  58          3HB       ALA  58  -3.189 -18.756   4.967
  Start of MODEL    7
    1   1H    ARG   1          1HT       ARG   1  -4.959 -15.055  -0.987
    2   2H    ARG   1          2HT       ARG   1  -6.663 -14.876  -1.087
    3   3H    ARG   1          3HT       ARG   1  -5.849 -14.554   0.390
    4    HA   ARG   1           HA       ARG   1  -4.905 -12.643  -0.386
    5   1HB   ARG   1          2HB       ARG   1  -4.814 -12.052  -2.734
    6   2HB   ARG   1          1HB       ARG   1  -4.165 -13.671  -2.522
    7   1HG   ARG   1          2HG       ARG   1  -6.650 -14.362  -3.080
    8   2HG   ARG   1          1HG       ARG   1  -6.659 -12.782  -3.865
    9   1HD   ARG   1          2HD       ARG   1  -5.197 -13.422  -5.477
   10   2HD   ARG   1          1HD       ARG   1  -4.328 -14.515  -4.403
   11    HE   ARG   1           HE       ARG   1  -6.960 -15.172  -5.566
   12   1HH1  ARG   1          1HH1      ARG   1  -3.677 -16.067  -4.743
   13   2HH1  ARG   1          2HH1      ARG   1  -3.865 -17.701  -5.278
   14   1HH2  ARG   1          1HH2      ARG   1  -7.192 -17.318  -6.265
   15   2HH2  ARG   1          2HH2      ARG   1  -5.854 -18.411  -6.141
   16    HA   PRO   2           HA       PRO   2  -9.158 -11.275   0.337
   17   1HB   PRO   2          2HB       PRO   2  -7.819  -8.742   1.007
   18   2HB   PRO   2          1HB       PRO   2  -8.914  -9.725   1.985
   19   1HG   PRO   2          2HG       PRO   2  -6.282  -9.568   2.511
   20   2HG   PRO   2          1HG       PRO   2  -7.214 -11.055   2.786
   21   1HD   PRO   2          2HD       PRO   2  -5.327 -10.385   0.567
   22   2HD   PRO   2          1HD       PRO   2  -5.596 -11.934   1.394
   23    H    ASP   3           H        ASP   3 -10.552  -9.753  -0.642
   24    HA   ASP   3           HA       ASP   3 -10.184  -9.248  -3.317
   25   1HB   ASP   3          2HB       ASP   3 -11.946  -7.880  -1.290
   26   2HB   ASP   3          1HB       ASP   3 -12.008  -7.486  -3.005
   27    H    PHE   4           H        PHE   4  -9.964  -6.763  -0.750
   28    HA   PHE   4           HA       PHE   4  -9.149  -4.662  -2.314
   29   1HB   PHE   4          2HB       PHE   4  -8.331  -3.656  -0.270
   30   2HB   PHE   4          1HB       PHE   4  -9.844  -4.485   0.037
   31    HD1  PHE   4           1HD      PHE   4  -6.181  -4.705   0.450
   32    HD2  PHE   4           2HD      PHE   4  -9.984  -6.220   1.608
   33    HE1  PHE   4           1HE      PHE   4  -5.122  -5.955   2.287
   34    HE2  PHE   4           2HE      PHE   4  -8.932  -7.472   3.443
   35    HZ   PHE   4           HZ       PHE   4  -6.498  -7.347   3.784
   36    H    CYS   5           H        CYS   5  -7.278  -7.431  -1.347
   37    HA   CYS   5           HA       CYS   5  -4.701  -6.360  -1.465
   38   1HB   CYS   5          2HB       CYS   5  -5.104  -8.631  -0.669
   39   2HB   CYS   5          1HB       CYS   5  -5.625  -9.124  -2.277
   40    H    LEU   6           H        LEU   6  -6.993  -6.956  -3.970
   41    HA   LEU   6           HA       LEU   6  -5.018  -6.842  -6.097
   42   1HB   LEU   6          2HB       LEU   6  -8.019  -6.789  -6.366
   43   2HB   LEU   6          1HB       LEU   6  -6.845  -7.194  -7.603
   44    HG   LEU   6           HG       LEU   6  -6.784  -8.913  -5.207
   45   1HD1  LEU   6          1HD1      LEU   6  -9.133  -8.897  -7.090
   46   2HD1  LEU   6          2HD1      LEU   6  -9.159  -8.661  -5.342
   47   3HD1  LEU   6          3HD1      LEU   6  -8.728 -10.233  -6.012
   48   1HD2  LEU   6          1HD2      LEU   6  -7.102 -10.020  -7.909
   49   2HD2  LEU   6          2HD2      LEU   6  -5.930 -10.410  -6.651
   50   3HD2  LEU   6          3HD2      LEU   6  -5.682  -9.000  -7.679
   51    H    GLU   7           H        GLU   7  -5.629  -4.531  -4.198
   52    HA   GLU   7           HA       GLU   7  -6.500  -2.536  -6.160
   53   1HB   GLU   7          2HB       GLU   7  -7.594  -2.710  -3.866
   54   2HB   GLU   7          1HB       GLU   7  -6.085  -2.097  -3.206
   55   1HG   GLU   7          2HG       GLU   7  -7.043  -0.455  -5.382
   56   2HG   GLU   7          1HG       GLU   7  -8.243  -0.611  -4.103
   57    HA   PRO   8           HA       PRO   8  -2.193  -1.414  -6.617
   58   1HB   PRO   8          2HB       PRO   8  -2.610   0.904  -8.005
   59   2HB   PRO   8          1HB       PRO   8  -2.672  -0.700  -8.745
   60   1HG   PRO   8          2HG       PRO   8  -4.915   1.045  -7.809
   61   2HG   PRO   8          1HG       PRO   8  -4.794   0.072  -9.287
   62   1HD   PRO   8          2HD       PRO   8  -6.201  -0.747  -7.140
   63   2HD   PRO   8          1HD       PRO   8  -5.334  -1.888  -8.190
   64    HA   PRO   9           HA       PRO   9  -1.387   1.684  -3.580
   65   1HB   PRO   9          2HB       PRO   9   0.614   3.191  -4.610
   66   2HB   PRO   9          1HB       PRO   9   0.851   1.531  -4.061
   67   1HG   PRO   9          2HG       PRO   9   0.508   2.571  -6.839
   68   2HG   PRO   9          1HG       PRO   9   1.602   1.308  -6.237
   69   1HD   PRO   9          2HD       PRO   9  -0.757   0.791  -7.523
   70   2HD   PRO   9          1HD       PRO   9  -0.020  -0.310  -6.341
   71    H    TYR  10           H        TYR  10  -1.581   3.959  -3.026
   72    HA   TYR  10           HA       TYR  10  -2.623   5.730  -5.099
   73   1HB   TYR  10          2HB       TYR  10  -4.528   4.349  -4.141
   74   2HB   TYR  10          1HB       TYR  10  -4.245   5.175  -2.614
   75    HD1  TYR  10           1HD      TYR  10  -5.498   7.048  -2.156
   76    HD2  TYR  10           2HD      TYR  10  -4.826   5.981  -6.219
   77    HE1  TYR  10           1HE      TYR  10  -6.960   8.889  -2.873
   78    HE2  TYR  10           2HE      TYR  10  -6.286   7.823  -6.949
   79    HH   TYR  10           HH       TYR  10  -7.066  10.037  -6.007
   80    H    THR  11           H        THR  11  -1.494   7.521  -4.843
   81    HA   THR  11           HA       THR  11  -0.456   8.298  -2.239
   82    HB   THR  11           HB       THR  11  -0.153   9.576  -4.968
   83    HG1  THR  11           1HG      THR  11   0.915   7.671  -5.010
   84   1HG2  THR  11          1HG2      THR  11   1.759  10.752  -4.043
   85   2HG2  THR  11          2HG2      THR  11   1.405  10.093  -2.447
   86   3HG2  THR  11          3HG2      THR  11   0.272  11.206  -3.212
   87    H    GLY  12           H        GLY  12  -3.273   8.867  -4.003
   88   1HA   GLY  12          2HA       GLY  12  -4.971  10.367  -3.855
   89   2HA   GLY  12          1HA       GLY  12  -4.460  10.481  -2.184
   90    HA   PRO  13           HA       PRO  13  -3.799  14.540  -4.502
   91   1HB   PRO  13          2HB       PRO  13  -5.986  15.692  -2.970
   92   2HB   PRO  13          1HB       PRO  13  -5.795  15.583  -4.719
   93   1HG   PRO  13          2HG       PRO  13  -7.659  14.170  -3.323
   94   2HG   PRO  13          1HG       PRO  13  -6.957  13.617  -4.853
   95   1HD   PRO  13          2HD       PRO  13  -6.293  12.795  -2.052
   96   2HD   PRO  13          1HD       PRO  13  -6.419  11.802  -3.525
   97    H    CYS  14           H        CYS  14  -2.024  13.953  -2.823
   98    HA   CYS  14           HA       CYS  14  -2.040  16.091  -0.820
   99   1HB   CYS  14          2HB       CYS  14  -1.938  13.220  -0.258
  100   2HB   CYS  14          1HB       CYS  14  -0.589  14.110   0.443
  101    H    ARG  15           H        ARG  15   0.222  16.365   0.096
  102    HA   ARG  15           HA       ARG  15   2.181  16.004  -2.069
  103   1HB   ARG  15          2HB       ARG  15   3.026  18.200  -1.707
  104   2HB   ARG  15          1HB       ARG  15   1.278  18.324  -1.854
  105   1HG   ARG  15          2HG       ARG  15   1.654  18.004   0.849
  106   2HG   ARG  15          1HG       ARG  15   3.016  19.014   0.365
  107   1HD   ARG  15          2HD       ARG  15   0.676  19.966  -0.948
  108   2HD   ARG  15          1HD       ARG  15   0.311  19.768   0.765
  109    HE   ARG  15           HE       ARG  15   1.908  21.791  -0.388
  110   1HH1  ARG  15          1HH1      ARG  15   1.750  19.702   2.402
  111   2HH1  ARG  15          2HH1      ARG  15   2.622  20.794   3.425
  112   1HH2  ARG  15          1HH2      ARG  15   3.055  23.229   0.955
  113   2HH2  ARG  15          2HH2      ARG  15   3.363  22.797   2.603
  114    H    VAL  16           H        VAL  16   1.525  15.101   1.030
  115    HA   VAL  16           HA       VAL  16   4.137  15.463   2.169
  116    HB   VAL  16           HB       VAL  16   2.518  13.309   3.331
  117   1HG1  VAL  16          1HG1      VAL  16   4.320  15.442   4.157
  118   2HG1  VAL  16          2HG1      VAL  16   4.024  13.860   4.877
  119   3HG1  VAL  16          3HG1      VAL  16   2.955  15.212   5.248
  120   1HG2  VAL  16          1HG2      VAL  16   1.347  15.992   2.841
  121   2HG2  VAL  16          2HG2      VAL  16   1.102  15.280   4.435
  122   3HG2  VAL  16          3HG2      VAL  16   0.556  14.423   2.994
  123    H    ARG  17           H        ARG  17   5.498  13.666   2.855
  124    HA   ARG  17           HA       ARG  17   5.624  11.607   0.759
  125   1HB   ARG  17          2HB       ARG  17   7.548  13.191   1.000
  126   2HB   ARG  17          1HB       ARG  17   7.834  12.527   2.603
  127   1HG   ARG  17          2HG       ARG  17   8.361  10.379   1.692
  128   2HG   ARG  17          1HG       ARG  17   7.873  10.894   0.076
  129   1HD   ARG  17          2HD       ARG  17   9.674  12.602   0.136
  130   2HD   ARG  17          1HD       ARG  17  10.199  11.941   1.684
  131    HE   ARG  17           HE       ARG  17  10.239   9.780   0.077
  132   1HH1  ARG  17          1HH1      ARG  17  11.576  12.988  -0.254
  133   2HH1  ARG  17          2HH1      ARG  17  12.913  12.466  -1.221
  134   1HH2  ARG  17          1HH2      ARG  17  12.001   9.092  -1.193
  135   2HH2  ARG  17          2HH2      ARG  17  13.156  10.255  -1.753
  136    H    ILE  18           H        ILE  18   4.421   9.944   1.557
  137    HA   ILE  18           HA       ILE  18   5.302   8.799   4.131
  138    HB   ILE  18           HB       ILE  18   2.546   8.605   2.915
  139   1HG1  ILE  18          2HG1      ILE  18   3.623  10.245   5.212
  140   2HG1  ILE  18          1HG1      ILE  18   2.852  10.835   3.745
  141   1HG2  ILE  18          1HG2      ILE  18   2.901   7.876   5.719
  142   2HG2  ILE  18          2HG2      ILE  18   3.747   6.818   4.592
  143   3HG2  ILE  18          3HG2      ILE  18   2.008   7.060   4.436
  144   1HD1  ILE  18          1HD1      ILE  18   1.587  10.673   6.067
  145   2HD1  ILE  18          2HD1      ILE  18   1.254   9.047   5.476
  146   3HD1  ILE  18          3HD1      ILE  18   0.767  10.448   4.524
  147    H    ILE  19           H        ILE  19   6.672   7.220   3.505
  148    HA   ILE  19           HA       ILE  19   6.393   5.690   1.150
  149    HB   ILE  19           HB       ILE  19   8.001   5.112   3.639
  150   1HG1  ILE  19          2HG1      ILE  19   8.638   7.237   2.669
  151   2HG1  ILE  19          1HG1      ILE  19   9.895   6.048   2.343
  152   1HG2  ILE  19          1HG2      ILE  19   9.386   3.921   1.676
  153   2HG2  ILE  19          2HG2      ILE  19   7.752   3.735   1.037
  154   3HG2  ILE  19          3HG2      ILE  19   8.156   3.090   2.628
  155   1HD1  ILE  19          1HD1      ILE  19   9.785   6.715   0.232
  156   2HD1  ILE  19          2HD1      ILE  19   8.279   7.591   0.508
  157   3HD1  ILE  19          3HD1      ILE  19   8.242   5.866   0.144
  158    H    ARG  20           H        ARG  20   4.268   4.911   1.230
  159    HA   ARG  20           HA       ARG  20   3.552   3.060   3.359
  160   1HB   ARG  20          2HB       ARG  20   2.069   4.255   1.042
  161   2HB   ARG  20          1HB       ARG  20   1.412   2.873   1.900
  162   1HG   ARG  20          2HG       ARG  20   2.137   5.508   3.164
  163   2HG   ARG  20          1HG       ARG  20   0.507   5.018   2.696
  164   1HD   ARG  20          2HD       ARG  20   0.274   3.669   4.487
  165   2HD   ARG  20          1HD       ARG  20   1.927   3.072   4.372
  166    HE   ARG  20           HE       ARG  20   2.640   4.804   5.756
  167   1HH1  ARG  20          1HH1      ARG  20  -0.788   5.044   5.105
  168   2HH1  ARG  20          2HH1      ARG  20  -1.077   6.163   6.392
  169   1HH2  ARG  20          1HH2      ARG  20   2.250   6.284   7.444
  170   2HH2  ARG  20          2HH2      ARG  20   0.642   6.867   7.717
  171    H    TYR  21           H        TYR  21   2.462   0.965   2.632
  172    HA   TYR  21           HA       TYR  21   4.107  -0.267   0.512
  173   1HB   TYR  21          2HB       TYR  21   3.186  -1.306   3.178
  174   2HB   TYR  21          1HB       TYR  21   3.651  -2.413   1.886
  175    HD1  TYR  21           1HD      TYR  21   4.816  -0.005   4.354
  176    HD2  TYR  21           2HD      TYR  21   5.985  -2.502   1.115
  177    HE1  TYR  21           1HE      TYR  21   7.165   0.244   5.023
  178    HE2  TYR  21           2HE      TYR  21   8.343  -2.264   1.776
  179    HH   TYR  21           HH       TYR  21   9.461   0.068   3.791
  180    H    PHE  22           H        PHE  22   3.133  -1.788  -0.863
  181    HA   PHE  22           HA       PHE  22   0.274  -2.294  -0.578
  182   1HB   PHE  22          2HB       PHE  22  -0.361  -1.466  -2.708
  183   2HB   PHE  22          1HB       PHE  22   0.586  -0.191  -1.967
  184    HD1  PHE  22           1HD      PHE  22   0.145  -2.212  -4.826
  185    HD2  PHE  22           2HD      PHE  22   3.104  -0.107  -2.606
  186    HE1  PHE  22           1HE      PHE  22   1.615  -2.209  -6.799
  187    HE2  PHE  22           2HE      PHE  22   4.578  -0.098  -4.575
  188    HZ   PHE  22           HZ       PHE  22   3.836  -1.152  -6.675
  189    H    TYR  23           H        TYR  23  -0.453  -3.728  -2.469
  190    HA   TYR  23           HA       TYR  23   1.577  -5.850  -2.821
  191   1HB   TYR  23          2HB       TYR  23  -0.461  -6.527  -1.642
  192   2HB   TYR  23          1HB       TYR  23  -1.450  -5.971  -2.997
  193    HD1  TYR  23           1HD      TYR  23   1.271  -8.374  -2.146
  194    HD2  TYR  23           2HD      TYR  23  -1.996  -7.452  -4.709
  195    HE1  TYR  23           1HE      TYR  23   1.475 -10.589  -3.193
  196    HE2  TYR  23           2HE      TYR  23  -1.803  -9.666  -5.761
  197    HH   TYR  23           HH       TYR  23  -0.610 -12.125  -4.670
  198    H    ASN  24           H        ASN  24   2.625  -5.391  -4.705
  199    HA   ASN  24           HA       ASN  24   1.329  -4.297  -6.990
  200   1HB   ASN  24          2HB       ASN  24   3.757  -4.028  -6.392
  201   2HB   ASN  24          1HB       ASN  24   4.001  -5.711  -6.884
  202   1HD2  ASN  24          1HD2      ASN  24   3.280  -2.479  -7.946
  203   2HD2  ASN  24          2HD2      ASN  24   3.564  -2.762  -9.649
  204    H    ALA  25           H        ALA  25   0.125  -5.326  -8.442
  205    HA   ALA  25           HA       ALA  25  -0.025  -8.221  -8.422
  206   1HB   ALA  25          1HB       ALA  25  -1.770  -7.604 -10.312
  207   2HB   ALA  25          2HB       ALA  25  -1.660  -6.016  -9.553
  208   3HB   ALA  25          3HB       ALA  25  -2.148  -7.418  -8.600
  209    H    LYS  26           H        LYS  26   2.204  -6.396  -9.721
  210    HA   LYS  26           HA       LYS  26   2.235  -7.733 -12.348
  211   1HB   LYS  26          2HB       LYS  26   3.028  -5.069 -11.437
  212   2HB   LYS  26          1HB       LYS  26   4.294  -5.873 -12.352
  213   1HG   LYS  26          2HG       LYS  26   1.861  -6.268 -13.739
  214   2HG   LYS  26          1HG       LYS  26   1.960  -4.562 -13.302
  215   1HD   LYS  26          2HD       LYS  26   4.424  -4.813 -14.181
  216   2HD   LYS  26          1HD       LYS  26   3.743  -6.183 -15.060
  217   1HE   LYS  26          2HE       LYS  26   2.037  -4.695 -16.020
  218   2HE   LYS  26          1HE       LYS  26   2.764  -3.332 -15.168
  219   1HZ   LYS  26          1HZ       LYS  26   4.821  -3.736 -16.410
  220   2HZ   LYS  26          2HZ       LYS  26   3.522  -3.388 -17.436
  221   3HZ   LYS  26          3HZ       LYS  26   4.063  -4.982 -17.268
  222    H    ALA  27           H        ALA  27   4.047  -7.014  -9.442
  223    HA   ALA  27           HA       ALA  27   6.119  -8.950 -10.196
  224   1HB   ALA  27          1HB       ALA  27   7.018  -7.894  -7.878
  225   2HB   ALA  27          2HB       ALA  27   6.062  -6.544  -8.490
  226   3HB   ALA  27          3HB       ALA  27   7.369  -7.215  -9.466
  227    H    GLY  28           H        GLY  28   3.290  -8.641  -8.370
  228   1HA   GLY  28          2HA       GLY  28   2.190 -10.136  -7.070
  229   2HA   GLY  28          1HA       GLY  28   3.518 -11.213  -7.365
  230    H    LEU  29           H        LEU  29   4.924  -8.577  -6.218
  231    HA   LEU  29           HA       LEU  29   4.829  -9.563  -3.449
  232   1HB   LEU  29          2HB       LEU  29   7.086  -8.584  -3.184
  233   2HB   LEU  29          1HB       LEU  29   7.017  -9.872  -4.371
  234    HG   LEU  29           HG       LEU  29   6.653  -7.681  -5.954
  235   1HD1  LEU  29          1HD1      LEU  29   8.212  -6.864  -3.546
  236   2HD1  LEU  29          2HD1      LEU  29   7.029  -5.954  -4.484
  237   3HD1  LEU  29          3HD1      LEU  29   8.649  -6.220  -5.129
  238   1HD2  LEU  29          1HD2      LEU  29   8.908  -9.429  -5.222
  239   2HD2  LEU  29          2HD2      LEU  29   9.328  -7.942  -6.072
  240   3HD2  LEU  29          3HD2      LEU  29   8.201  -9.087  -6.801
  241    H    CYS  30           H        CYS  30   5.459  -7.830  -1.810
  242    HA   CYS  30           HA       CYS  30   3.703  -5.577  -2.240
  243   1HB   CYS  30          2HB       CYS  30   5.010  -6.869   0.117
  244   2HB   CYS  30          1HB       CYS  30   4.447  -5.208   0.256
  245    H    GLN  31           H        GLN  31   4.388  -3.608  -2.787
  246    HA   GLN  31           HA       GLN  31   7.229  -2.957  -2.350
  247   1HB   GLN  31          2HB       GLN  31   5.460  -2.060  -4.628
  248   2HB   GLN  31          1HB       GLN  31   7.117  -1.547  -4.371
  249   1HG   GLN  31          2HG       GLN  31   7.748  -3.999  -4.541
  250   2HG   GLN  31          1HG       GLN  31   6.110  -4.267  -5.134
  251   1HE2  GLN  31          1HE2      GLN  31   8.536  -1.740  -5.709
  252   2HE2  GLN  31          2HE2      GLN  31   8.522  -1.882  -7.430
  253    H    THR  32           H        THR  32   7.566  -0.491  -2.480
  254    HA   THR  32           HA       THR  32   5.543   0.745  -0.745
  255    HB   THR  32           HB       THR  32   7.213   1.961   0.309
  256    HG1  THR  32           1HG      THR  32   9.213   2.389  -0.621
  257   1HG2  THR  32          1HG2      THR  32   7.698  -0.747   0.076
  258   2HG2  THR  32          2HG2      THR  32   8.414   0.357   1.249
  259   3HG2  THR  32          3HG2      THR  32   9.258   0.006  -0.259
  260    H    PHE  33           H        PHE  33   5.481   3.176  -0.877
  261    HA   PHE  33           HA       PHE  33   6.115   4.383  -3.402
  262   1HB   PHE  33          2HB       PHE  33   3.793   4.990  -4.002
  263   2HB   PHE  33          1HB       PHE  33   4.085   3.264  -4.101
  264    HD1  PHE  33           1HD      PHE  33   3.674   2.199  -1.513
  265    HD2  PHE  33           2HD      PHE  33   1.659   5.455  -3.371
  266    HE1  PHE  33           1HE      PHE  33   1.728   1.818  -0.064
  267    HE2  PHE  33           2HE      PHE  33  -0.293   5.076  -1.923
  268    HZ   PHE  33           HZ       PHE  33  -0.258   3.256  -0.264
  269    H    VAL  34           H        VAL  34   5.448   6.661  -3.466
  270    HA   VAL  34           HA       VAL  34   5.789   7.817  -0.824
  271    HB   VAL  34           HB       VAL  34   5.741   9.213  -3.502
  272   1HG1  VAL  34          1HG1      VAL  34   5.580  11.010  -2.160
  273   2HG1  VAL  34          2HG1      VAL  34   7.291  10.716  -1.850
  274   3HG1  VAL  34          3HG1      VAL  34   6.074  10.109  -0.726
  275   1HG2  VAL  34          1HG2      VAL  34   8.195   8.491  -1.924
  276   2HG2  VAL  34          2HG2      VAL  34   8.084   9.047  -3.595
  277   3HG2  VAL  34          3HG2      VAL  34   7.527   7.429  -3.165
  278    H    TYR  35           H        TYR  35   3.551   7.103  -0.270
  279    HA   TYR  35           HA       TYR  35   1.301   8.316  -1.475
  280   1HB   TYR  35          2HB       TYR  35   0.650   6.494  -0.242
  281   2HB   TYR  35          1HB       TYR  35   1.815   6.807   1.034
  282    HD1  TYR  35           1HD      TYR  35  -1.071   8.631  -0.394
  283    HD2  TYR  35           2HD      TYR  35   0.844   7.221   3.064
  284    HE1  TYR  35           1HE      TYR  35  -2.841   9.662   0.990
  285    HE2  TYR  35           2HE      TYR  35  -0.919   8.191   4.470
  286    HH   TYR  35           HH       TYR  35  -2.705   9.549   4.504
  287    H    GLY  36           H        GLY  36   0.113  10.119  -0.922
  288   1HA   GLY  36          2HA       GLY  36   1.558  12.290   0.184
  289   2HA   GLY  36          1HA       GLY  36  -0.141  12.309  -0.249
  290    H    GLY  37           H        GLY  37  -1.693  11.932   1.354
  291   1HA   GLY  37          2HA       GLY  37  -1.373  10.855   3.849
  292   2HA   GLY  37          1HA       GLY  37  -0.839  12.503   3.976
  293    H    CYS  38           H        CYS  38  -3.479  11.556   1.880
  294    HA   CYS  38           HA       CYS  38  -5.419  12.403   3.878
  295   1HB   CYS  38          2HB       CYS  38  -6.482  13.950   2.086
  296   2HB   CYS  38          1HB       CYS  38  -5.135  14.541   3.051
  297    H    ARG  39           H        ARG  39  -7.297  11.424   3.729
  298    HA   ARG  39           HA       ARG  39  -9.071  10.246   2.943
  299   1HB   ARG  39          2HB       ARG  39  -7.752  10.918   0.399
  300   2HB   ARG  39          1HB       ARG  39  -8.713   9.451   0.368
  301   1HG   ARG  39          2HG       ARG  39  -9.882  11.929   1.535
  302   2HG   ARG  39          1HG       ARG  39  -9.784  11.754  -0.219
  303   1HD   ARG  39          2HD       ARG  39 -11.940  10.978   0.645
  304   2HD   ARG  39          1HD       ARG  39 -11.028   9.669  -0.099
  305    HE   ARG  39           HE       ARG  39 -10.608   8.772   2.050
  306   1HH1  ARG  39          1HH1      ARG  39 -12.747  11.539   2.129
  307   2HH1  ARG  39          2HH1      ARG  39 -13.366  11.163   3.700
  308   1HH2  ARG  39          1HH2      ARG  39 -11.423   8.291   4.114
  309   2HH2  ARG  39          2HH2      ARG  39 -12.616   9.325   4.827
  310    H    ALA  40           H        ALA  40  -5.839   9.196   2.164
  311    HA   ALA  40           HA       ALA  40  -4.831   7.143   2.148
  312   1HB   ALA  40          1HB       ALA  40  -6.133   5.628   4.009
  313   2HB   ALA  40          2HB       ALA  40  -6.572   7.266   4.492
  314   3HB   ALA  40          3HB       ALA  40  -4.873   6.812   4.360
  315    H    LYS  41           H        LYS  41  -5.183   4.727   1.956
  316    HA   LYS  41           HA       LYS  41  -7.666   4.131   0.497
  317   1HB   LYS  41          2HB       LYS  41  -4.864   3.853  -0.416
  318   2HB   LYS  41          1HB       LYS  41  -5.922   2.500  -0.776
  319   1HG   LYS  41          2HG       LYS  41  -6.375   5.366  -1.579
  320   2HG   LYS  41          1HG       LYS  41  -5.834   4.055  -2.625
  321   1HD   LYS  41          2HD       LYS  41  -7.908   2.984  -2.566
  322   2HD   LYS  41          1HD       LYS  41  -8.434   3.879  -1.140
  323   1HE   LYS  41          2HE       LYS  41  -9.417   5.366  -2.462
  324   2HE   LYS  41          1HE       LYS  41  -7.844   5.785  -3.137
  325   1HZ   LYS  41          1HZ       LYS  41  -9.289   3.428  -4.146
  326   2HZ   LYS  41          2HZ       LYS  41  -8.143   4.395  -4.928
  327   3HZ   LYS  41          3HZ       LYS  41  -9.716   4.972  -4.692
  328    H    ARG  42           H        ARG  42  -7.270   1.464  -0.028
  329    HA   ARG  42           HA       ARG  42  -7.412   0.349   2.668
  330   1HB   ARG  42          2HB       ARG  42  -8.076  -0.990   0.041
  331   2HB   ARG  42          1HB       ARG  42  -8.503  -1.551   1.661
  332   1HG   ARG  42          2HG       ARG  42  -9.877   0.501   1.941
  333   2HG   ARG  42          1HG       ARG  42  -9.538   0.907   0.258
  334   1HD   ARG  42          2HD       ARG  42 -10.537  -1.819   0.701
  335   2HD   ARG  42          1HD       ARG  42 -11.675  -0.535   1.099
  336    HE   ARG  42           HE       ARG  42 -10.356  -0.702  -1.530
  337   1HH1  ARG  42          1HH1      ARG  42 -13.243  -0.332   0.415
  338   2HH1  ARG  42          2HH1      ARG  42 -14.261  -0.015  -0.947
  339   1HH2  ARG  42          1HH2      ARG  42 -11.706  -0.286  -3.310
  340   2HH2  ARG  42          2HH2      ARG  42 -13.393   0.010  -3.056
  341    H    ASN  43           H        ASN  43  -5.561   0.023  -0.313
  342    HA   ASN  43           HA       ASN  43  -3.965  -2.104   0.874
  343   1HB   ASN  43          2HB       ASN  43  -4.804  -1.942  -1.629
  344   2HB   ASN  43          1HB       ASN  43  -3.362  -0.953  -1.819
  345   1HD2  ASN  43          1HD2      ASN  43  -4.602  -4.113  -1.194
  346   2HD2  ASN  43          2HD2      ASN  43  -3.113  -4.967  -1.380
  347    H    ASN  44           H        ASN  44  -3.478  -0.276   2.462
  348    HA   ASN  44           HA       ASN  44  -0.875   0.867   1.714
  349   1HB   ASN  44          2HB       ASN  44  -3.046   2.379   3.188
  350   2HB   ASN  44          1HB       ASN  44  -1.414   2.960   2.888
  351   1HD2  ASN  44          1HD2      ASN  44  -2.825   4.731   2.018
  352   2HD2  ASN  44          2HD2      ASN  44  -3.232   4.645   0.333
  353    H    PHE  45           H        PHE  45   0.470  -0.245   3.035
  354    HA   PHE  45           HA       PHE  45  -0.322  -0.545   5.860
  355   1HB   PHE  45          2HB       PHE  45   1.831  -2.138   4.467
  356   2HB   PHE  45          1HB       PHE  45   1.044  -2.484   6.004
  357    HD1  PHE  45           1HD      PHE  45   0.960  -3.004   2.465
  358    HD2  PHE  45           2HD      PHE  45  -1.403  -3.063   6.001
  359    HE1  PHE  45           1HE      PHE  45  -0.727  -4.378   1.311
  360    HE2  PHE  45           2HE      PHE  45  -3.092  -4.432   4.856
  361    HZ   PHE  45           HZ       PHE  45  -2.757  -5.093   2.507
  362    H    LYS  46           H        LYS  46   1.448  -0.429   7.430
  363    HA   LYS  46           HA       LYS  46   3.108   1.875   6.866
  364   1HB   LYS  46          2HB       LYS  46   2.096   0.491   9.246
  365   2HB   LYS  46          1HB       LYS  46   3.754   1.054   9.413
  366   1HG   LYS  46          2HG       LYS  46   2.046   3.065   8.233
  367   2HG   LYS  46          1HG       LYS  46   1.451   2.529   9.805
  368   1HD   LYS  46          2HD       LYS  46   3.193   3.441  10.918
  369   2HD   LYS  46          1HD       LYS  46   4.350   3.019   9.654
  370   1HE   LYS  46          2HE       LYS  46   4.262   5.372   9.668
  371   2HE   LYS  46          1HE       LYS  46   3.303   4.870   8.276
  372   1HZ   LYS  46          1HZ       LYS  46   2.142   5.540  10.922
  373   2HZ   LYS  46          2HZ       LYS  46   1.303   5.261   9.481
  374   3HZ   LYS  46          3HZ       LYS  46   2.268   6.641   9.644
  375    H    SER  47           H        SER  47   3.437  -1.540   6.929
  376    HA   SER  47           HA       SER  47   6.258  -1.280   6.328
  377   1HB   SER  47          2HB       SER  47   6.358  -3.384   8.109
  378   2HB   SER  47          1HB       SER  47   6.908  -1.740   8.422
  379    HG   SER  47           HG       SER  47   4.908  -3.067   9.577
  380    H    ALA  48           H        ALA  48   7.210  -3.186   5.453
  381    HA   ALA  48           HA       ALA  48   5.629  -4.545   3.613
  382   1HB   ALA  48          1HB       ALA  48   8.332  -5.239   4.752
  383   2HB   ALA  48          2HB       ALA  48   7.981  -4.378   3.253
  384   3HB   ALA  48          3HB       ALA  48   7.589  -6.092   3.399
  385    H    GLU  49           H        GLU  49   6.337  -5.238   6.948
  386    HA   GLU  49           HA       GLU  49   5.570  -7.977   6.918
  387   1HB   GLU  49          2HB       GLU  49   6.901  -6.554   8.708
  388   2HB   GLU  49          1HB       GLU  49   5.296  -6.305   9.379
  389   1HG   GLU  49          2HG       GLU  49   5.744  -9.085   8.758
  390   2HG   GLU  49          1HG       GLU  49   6.993  -8.455   9.832
  391    H    ASP  50           H        ASP  50   3.878  -4.961   7.737
  392    HA   ASP  50           HA       ASP  50   1.437  -6.105   8.510
  393   1HB   ASP  50          2HB       ASP  50   2.184  -3.430   7.348
  394   2HB   ASP  50          1HB       ASP  50   0.493  -3.847   7.616
  395    H    CYS  51           H        CYS  51   2.778  -5.249   5.380
  396    HA   CYS  51           HA       CYS  51   0.520  -5.641   3.764
  397   1HB   CYS  51          2HB       CYS  51   3.013  -4.819   3.287
  398   2HB   CYS  51          1HB       CYS  51   3.223  -6.498   2.815
  399    H    LEU  52           H        LEU  52   3.250  -7.891   4.192
  400    HA   LEU  52           HA       LEU  52   2.003 -10.124   3.076
  401   1HB   LEU  52          2HB       LEU  52   4.066 -10.086   5.287
  402   2HB   LEU  52          1HB       LEU  52   3.669 -11.469   4.287
  403    HG   LEU  52           HG       LEU  52   4.605  -8.973   2.947
  404   1HD1  LEU  52          1HD1      LEU  52   6.215 -10.705   4.737
  405   2HD1  LEU  52          2HD1      LEU  52   6.380  -8.989   4.368
  406   3HD1  LEU  52          3HD1      LEU  52   6.941 -10.196   3.212
  407   1HD2  LEU  52          1HD2      LEU  52   4.199 -10.472   1.308
  408   2HD2  LEU  52          2HD2      LEU  52   4.391 -11.860   2.378
  409   3HD2  LEU  52          3HD2      LEU  52   5.814 -11.042   1.732
  410    H    ARG  53           H        ARG  53   1.728  -8.711   6.241
  411    HA   ARG  53           HA       ARG  53   0.471 -10.967   7.468
  412   1HB   ARG  53          2HB       ARG  53   1.651  -9.242   8.776
  413   2HB   ARG  53          1HB       ARG  53   0.453  -8.054   8.283
  414   1HG   ARG  53          2HG       ARG  53  -0.892 -10.294   9.421
  415   2HG   ARG  53          1HG       ARG  53   0.396  -9.780  10.512
  416   1HD   ARG  53          2HD       ARG  53  -1.217  -8.360  11.233
  417   2HD   ARG  53          1HD       ARG  53  -0.609  -7.385   9.896
  418    HE   ARG  53           HE       ARG  53  -2.611  -7.677   8.835
  419   1HH1  ARG  53          1HH1      ARG  53  -2.310 -10.109  11.319
  420   2HH1  ARG  53          2HH1      ARG  53  -3.925 -10.697  11.114
  421   1HH2  ARG  53          1HH2      ARG  53  -4.736  -8.448   8.564
  422   2HH2  ARG  53          2HH2      ARG  53  -5.303  -9.755   9.550
  423    H    THR  54           H        THR  54  -0.575  -8.297   5.503
  424    HA   THR  54           HA       THR  54  -3.371  -8.670   6.206
  425    HB   THR  54           HB       THR  54  -2.110  -6.844   4.153
  426    HG1  THR  54           1HG      THR  54  -3.055  -6.271   6.764
  427   1HG2  THR  54          1HG2      THR  54  -4.788  -6.447   5.412
  428   2HG2  THR  54          2HG2      THR  54  -4.609  -7.441   3.965
  429   3HG2  THR  54          3HG2      THR  54  -4.128  -5.746   3.934
  430    H    CYS  55           H        CYS  55  -1.414  -8.942   3.192
  431    HA   CYS  55           HA       CYS  55  -3.586 -10.627   2.134
  432   1HB   CYS  55          2HB       CYS  55  -3.222  -8.643   0.805
  433   2HB   CYS  55          1HB       CYS  55  -1.500  -8.997   0.683
  434    H    GLY  56           H        GLY  56  -0.415 -10.811   3.309
  435   1HA   GLY  56          2HA       GLY  56   0.518 -12.897   1.567
  436   2HA   GLY  56          1HA       GLY  56   1.264 -12.401   3.078
  437    H    GLY  57           H        GLY  57  -0.004 -13.074   5.088
  438   1HA   GLY  57          2HA       GLY  57  -1.179 -14.666   6.309
  439   2HA   GLY  57          1HA       GLY  57  -1.644 -15.441   4.802
  440    H    ALA  58           H        ALA  58   0.806 -15.202   7.280
  441    HA   ALA  58           HA       ALA  58   1.756 -17.863   6.543
  442   1HB   ALA  58          1HB       ALA  58   3.736 -17.213   5.787
  443   2HB   ALA  58          2HB       ALA  58   4.049 -16.335   7.284
  444   3HB   ALA  58          3HB       ALA  58   3.231 -15.531   5.944
  Start of MODEL    8
    1   1H    ARG   1          1HT       ARG   1  -6.457 -15.379  -2.567
    2   2H    ARG   1          2HT       ARG   1  -5.213 -15.986  -1.556
    3   3H    ARG   1          3HT       ARG   1  -4.840 -15.424  -3.134
    4    HA   ARG   1           HA       ARG   1  -4.917 -14.027  -0.725
    5   1HB   ARG   1          2HB       ARG   1  -3.912 -12.293  -2.129
    6   2HB   ARG   1          1HB       ARG   1  -3.218 -13.868  -2.487
    7   1HG   ARG   1          2HG       ARG   1  -5.083 -13.890  -4.348
    8   2HG   ARG   1          1HG       ARG   1  -4.973 -12.140  -4.150
    9   1HD   ARG   1          2HD       ARG   1  -2.884 -12.034  -5.022
   10   2HD   ARG   1          1HD       ARG   1  -2.420 -13.610  -4.386
   11    HE   ARG   1           HE       ARG   1  -3.612 -13.046  -6.952
   12   1HH1  ARG   1          1HH1      ARG   1  -2.991 -15.483  -4.531
   13   2HH1  ARG   1          2HH1      ARG   1  -3.137 -16.802  -5.642
   14   1HH2  ARG   1          1HH2      ARG   1  -3.804 -14.781  -8.414
   15   2HH2  ARG   1          2HH2      ARG   1  -3.599 -16.405  -7.846
   16    HA   PRO   2           HA       PRO   2  -8.822 -11.970  -0.586
   17   1HB   PRO   2          2HB       PRO   2  -7.233  -9.571   0.123
   18   2HB   PRO   2          1HB       PRO   2  -8.606 -10.298   0.968
   19   1HG   PRO   2          2HG       PRO   2  -6.115 -10.558   1.882
   20   2HG   PRO   2          1HG       PRO   2  -7.285 -11.888   2.000
   21   1HD   PRO   2          2HD       PRO   2  -4.970 -11.565   0.153
   22   2HD   PRO   2          1HD       PRO   2  -5.663 -13.040   0.852
   23    H    ASP   3           H        ASP   3 -10.068 -10.694  -1.877
   24    HA   ASP   3           HA       ASP   3  -9.220 -10.045  -4.441
   25   1HB   ASP   3          2HB       ASP   3 -11.344  -8.650  -4.520
   26   2HB   ASP   3          1HB       ASP   3 -11.545 -10.344  -4.077
   27    H    PHE   4           H        PHE   4  -9.705  -7.867  -1.658
   28    HA   PHE   4           HA       PHE   4  -9.175  -5.468  -2.868
   29   1HB   PHE   4          2HB       PHE   4  -8.718  -4.618  -0.679
   30   2HB   PHE   4          1HB       PHE   4  -9.987  -5.817  -0.544
   31    HD1  PHE   4           1HD      PHE   4  -6.316  -5.382  -0.151
   32    HD2  PHE   4           2HD      PHE   4  -9.804  -7.540   0.979
   33    HE1  PHE   4           1HE      PHE   4  -5.023  -6.559   1.583
   34    HE2  PHE   4           2HE      PHE   4  -8.519  -8.722   2.710
   35    HZ   PHE   4           HZ       PHE   4  -6.127  -8.242   3.007
   36    H    CYS   5           H        CYS   5  -6.920  -8.022  -2.164
   37    HA   CYS   5           HA       CYS   5  -4.542  -6.579  -1.965
   38   1HB   CYS   5          2HB       CYS   5  -5.103  -9.303  -3.133
   39   2HB   CYS   5          1HB       CYS   5  -3.477  -8.643  -3.018
   40    H    LEU   6           H        LEU   6  -6.624  -7.073  -4.663
   41    HA   LEU   6           HA       LEU   6  -4.604  -6.190  -6.577
   42   1HB   LEU   6          2HB       LEU   6  -7.497  -6.826  -7.134
   43   2HB   LEU   6          1HB       LEU   6  -6.180  -6.730  -8.288
   44    HG   LEU   6           HG       LEU   6  -5.949  -8.767  -6.140
   45   1HD1  LEU   6          1HD1      LEU   6  -7.746  -9.953  -6.663
   46   2HD1  LEU   6          2HD1      LEU   6  -7.350  -9.883  -8.380
   47   3HD1  LEU   6          3HD1      LEU   6  -8.306  -8.598  -7.644
   48   1HD2  LEU   6          1HD2      LEU   6  -4.982  -8.283  -8.883
   49   2HD2  LEU   6          2HD2      LEU   6  -5.295  -9.965  -8.453
   50   3HD2  LEU   6          3HD2      LEU   6  -4.161  -9.006  -7.499
   51    H    GLU   7           H        GLU   7  -5.482  -4.368  -4.509
   52    HA   GLU   7           HA       GLU   7  -7.032  -2.407  -6.051
   53   1HB   GLU   7          2HB       GLU   7  -7.770  -3.127  -3.725
   54   2HB   GLU   7          1HB       GLU   7  -6.367  -2.257  -3.116
   55   1HG   GLU   7          2HG       GLU   7  -7.594  -0.431  -4.779
   56   2HG   GLU   7          1HG       GLU   7  -8.939  -1.260  -3.996
   57    HA   PRO   8           HA       PRO   8  -3.080  -0.421  -6.939
   58   1HB   PRO   8          2HB       PRO   8  -4.958   1.812  -7.545
   59   2HB   PRO   8          1HB       PRO   8  -3.624   1.170  -8.509
   60   1HG   PRO   8          2HG       PRO   8  -6.152   0.608  -9.135
   61   2HG   PRO   8          1HG       PRO   8  -4.875  -0.612  -9.300
   62   1HD   PRO   8          2HD       PRO   8  -7.003  -0.358  -7.229
   63   2HD   PRO   8          1HD       PRO   8  -6.270  -1.818  -7.928
   64    HA   PRO   9           HA       PRO   9  -2.447   2.007  -3.294
   65   1HB   PRO   9          2HB       PRO   9  -0.213   3.332  -3.984
   66   2HB   PRO   9          1HB       PRO   9  -0.211   1.592  -3.683
   67   1HG   PRO   9          2HG       PRO   9  -0.272   3.074  -6.286
   68   2HG   PRO   9          1HG       PRO   9   0.678   1.641  -5.832
   69   1HD   PRO   9          2HD       PRO   9  -1.629   1.518  -7.281
   70   2HD   PRO   9          1HD       PRO   9  -1.073   0.209  -6.220
   71    H    TYR  10           H        TYR  10  -3.120   3.934  -2.488
   72    HA   TYR  10           HA       TYR  10  -3.734   6.088  -4.409
   73   1HB   TYR  10          2HB       TYR  10  -5.529   4.950  -2.832
   74   2HB   TYR  10          1HB       TYR  10  -4.863   6.060  -1.636
   75    HD1  TYR  10           1HD      TYR  10  -5.816   8.158  -1.454
   76    HD2  TYR  10           2HD      TYR  10  -6.118   6.085  -5.155
   77    HE1  TYR  10           1HE      TYR  10  -7.224   9.968  -2.345
   78    HE2  TYR  10           2HE      TYR  10  -7.524   7.888  -6.058
   79    HH   TYR  10           HH       TYR  10  -8.930   9.675  -5.320
   80    H    THR  11           H        THR  11  -2.852   8.067  -4.167
   81    HA   THR  11           HA       THR  11  -1.018   8.462  -1.885
   82    HB   THR  11           HB       THR  11  -0.845   9.496  -4.724
   83    HG1  THR  11           1HG      THR  11   0.818   7.706  -3.285
   84   1HG2  THR  11          1HG2      THR  11   0.126  11.214  -3.462
   85   2HG2  THR  11          2HG2      THR  11   1.472  10.212  -4.005
   86   3HG2  THR  11          3HG2      THR  11   0.886  10.080  -2.345
   87    H    GLY  12           H        GLY  12  -3.871   9.589  -3.312
   88   1HA   GLY  12          2HA       GLY  12  -5.192  11.403  -2.995
   89   2HA   GLY  12          1HA       GLY  12  -4.357  11.535  -1.459
   90    HA   PRO  13           HA       PRO  13  -3.162  15.080  -4.333
   91   1HB   PRO  13          2HB       PRO  13  -4.848  17.031  -3.647
   92   2HB   PRO  13          1HB       PRO  13  -5.323  15.766  -4.788
   93   1HG   PRO  13          2HG       PRO  13  -5.981  16.044  -1.883
   94   2HG   PRO  13          1HG       PRO  13  -7.023  15.535  -3.223
   95   1HD   PRO  13          2HD       PRO  13  -5.764  13.817  -1.466
   96   2HD   PRO  13          1HD       PRO  13  -6.327  13.368  -3.089
   97    H    CYS  14           H        CYS  14  -3.116  14.435  -1.080
   98    HA   CYS  14           HA       CYS  14  -2.452  16.886   0.104
   99   1HB   CYS  14          2HB       CYS  14  -1.941  14.030   0.787
  100   2HB   CYS  14          1HB       CYS  14  -1.028  15.273   1.642
  101    H    ARG  15           H        ARG  15  -0.186  17.133   1.150
  102    HA   ARG  15           HA       ARG  15   1.786  16.978  -1.034
  103   1HB   ARG  15          2HB       ARG  15   0.757  19.238   0.415
  104   2HB   ARG  15          1HB       ARG  15   2.491  19.110   0.668
  105   1HG   ARG  15          2HG       ARG  15   2.066  18.693  -2.078
  106   2HG   ARG  15          1HG       ARG  15   1.057  20.064  -1.613
  107   1HD   ARG  15          2HD       ARG  15   3.364  20.641  -0.306
  108   2HD   ARG  15          1HD       ARG  15   3.983  19.821  -1.738
  109    HE   ARG  15           HE       ARG  15   2.066  21.730  -2.509
  110   1HH1  ARG  15          1HH1      ARG  15   5.303  21.528  -1.227
  111   2HH1  ARG  15          2HH1      ARG  15   5.811  23.029  -1.926
  112   1HH2  ARG  15          1HH2      ARG  15   2.731  23.709  -3.430
  113   2HH2  ARG  15          2HH2      ARG  15   4.351  24.267  -3.175
  114    H    VAL  16           H        VAL  16   1.555  14.966   1.008
  115    HA   VAL  16           HA       VAL  16   3.916  15.496   2.678
  116    HB   VAL  16           HB       VAL  16   2.410  12.953   3.015
  117   1HG1  VAL  16          1HG1      VAL  16   3.910  12.933   4.666
  118   2HG1  VAL  16          2HG1      VAL  16   2.857  14.092   5.475
  119   3HG1  VAL  16          3HG1      VAL  16   4.225  14.662   4.519
  120   1HG2  VAL  16          1HG2      VAL  16   0.763  14.999   2.820
  121   2HG2  VAL  16          2HG2      VAL  16   1.339  15.337   4.453
  122   3HG2  VAL  16          3HG2      VAL  16   0.564  13.792   4.090
  123    H    ARG  17           H        ARG  17   5.175  13.304   3.107
  124    HA   ARG  17           HA       ARG  17   5.599  11.879   0.574
  125   1HB   ARG  17          2HB       ARG  17   7.539  13.543   2.080
  126   2HB   ARG  17          1HB       ARG  17   8.135  11.997   1.492
  127   1HG   ARG  17          2HG       ARG  17   6.657  13.449  -0.538
  128   2HG   ARG  17          1HG       ARG  17   8.037  14.358   0.079
  129   1HD   ARG  17          2HD       ARG  17   8.092  11.554  -1.026
  130   2HD   ARG  17          1HD       ARG  17   8.688  13.003  -1.831
  131    HE   ARG  17           HE       ARG  17  10.333  13.156   0.031
  132   1HH1  ARG  17          1HH1      ARG  17   8.902  10.061  -0.761
  133   2HH1  ARG  17          2HH1      ARG  17  10.235   9.154  -0.132
  134   1HH2  ARG  17          1HH2      ARG  17  12.074  11.952   0.847
  135   2HH2  ARG  17          2HH2      ARG  17  12.028  10.222   0.776
  136    H    ILE  18           H        ILE  18   4.525  10.103   1.488
  137    HA   ILE  18           HA       ILE  18   5.948   8.784   3.706
  138    HB   ILE  18           HB       ILE  18   3.025   8.625   2.961
  139   1HG1  ILE  18          2HG1      ILE  18   4.480   9.755   5.359
  140   2HG1  ILE  18          1HG1      ILE  18   3.521  10.641   4.182
  141   1HG2  ILE  18          1HG2      ILE  18   4.375   6.515   3.916
  142   2HG2  ILE  18          2HG2      ILE  18   2.694   6.854   4.318
  143   3HG2  ILE  18          3HG2      ILE  18   3.981   7.323   5.432
  144   1HD1  ILE  18          1HD1      ILE  18   2.507  10.145   6.484
  145   2HD1  ILE  18          2HD1      ILE  18   2.275   8.510   5.868
  146   3HD1  ILE  18          3HD1      ILE  18   1.514   9.875   5.052
  147    H    ILE  19           H        ILE  19   7.164   7.191   2.958
  148    HA   ILE  19           HA       ILE  19   6.687   5.874   0.469
  149    HB   ILE  19           HB       ILE  19   8.602   5.234   2.722
  150   1HG1  ILE  19          2HG1      ILE  19   9.057   7.370   1.625
  151   2HG1  ILE  19          1HG1      ILE  19  10.305   6.192   1.235
  152   1HG2  ILE  19          1HG2      ILE  19   8.972   3.276   1.751
  153   2HG2  ILE  19          2HG2      ILE  19   9.544   4.134   0.319
  154   3HG2  ILE  19          3HG2      ILE  19   7.849   3.664   0.450
  155   1HD1  ILE  19          1HD1      ILE  19   9.880   7.264  -0.776
  156   2HD1  ILE  19          2HD1      ILE  19   8.137   7.277  -0.513
  157   3HD1  ILE  19          3HD1      ILE  19   8.960   5.766  -0.900
  158    H    ARG  20           H        ARG  20   4.558   5.061   0.779
  159    HA   ARG  20           HA       ARG  20   4.106   3.134   2.887
  160   1HB   ARG  20          2HB       ARG  20   2.414   4.366   0.766
  161   2HB   ARG  20          1HB       ARG  20   1.877   2.869   1.512
  162   1HG   ARG  20          2HG       ARG  20   2.499   5.438   2.949
  163   2HG   ARG  20          1HG       ARG  20   0.890   4.815   2.580
  164   1HD   ARG  20          2HD       ARG  20   1.012   3.170   4.173
  165   2HD   ARG  20          1HD       ARG  20   2.768   3.069   4.090
  166    HE   ARG  20           HE       ARG  20   2.913   4.688   5.699
  167   1HH1  ARG  20          1HH1      ARG  20  -0.347   4.604   4.453
  168   2HH1  ARG  20          2HH1      ARG  20  -0.964   5.700   5.645
  169   1HH2  ARG  20          1HH2      ARG  20   2.106   6.143   7.256
  170   2HH2  ARG  20          2HH2      ARG  20   0.431   6.579   7.230
  171    H    TYR  21           H        TYR  21   2.927   1.060   2.230
  172    HA   TYR  21           HA       TYR  21   4.381  -0.199   0.002
  173   1HB   TYR  21          2HB       TYR  21   3.739  -1.219   2.762
  174   2HB   TYR  21          1HB       TYR  21   4.255  -2.284   1.457
  175    HD1  TYR  21           1HD      TYR  21   6.558  -2.000   0.496
  176    HD2  TYR  21           2HD      TYR  21   5.293   0.067   3.993
  177    HE1  TYR  21           1HE      TYR  21   8.906  -1.571   1.088
  178    HE2  TYR  21           2HE      TYR  21   7.640   0.504   4.589
  179    HH   TYR  21           HH       TYR  21  10.147  -1.085   3.469
  180    H    PHE  22           H        PHE  22   3.240  -1.710  -1.232
  181    HA   PHE  22           HA       PHE  22   0.505  -2.348  -0.477
  182   1HB   PHE  22          2HB       PHE  22  -0.531  -1.630  -2.471
  183   2HB   PHE  22          1HB       PHE  22   0.435  -0.277  -1.923
  184    HD1  PHE  22           1HD      PHE  22   2.840  -0.116  -2.985
  185    HD2  PHE  22           2HD      PHE  22  -0.406  -2.307  -4.651
  186    HE1  PHE  22           1HE      PHE  22   3.930  -0.047  -5.192
  187    HE2  PHE  22           2HE      PHE  22   0.677  -2.244  -6.859
  188    HZ   PHE  22           HZ       PHE  22   2.851  -1.121  -7.130
  189    H    TYR  23           H        TYR  23  -0.447  -3.939  -2.035
  190    HA   TYR  23           HA       TYR  23   1.630  -5.926  -2.659
  191   1HB   TYR  23          2HB       TYR  23  -0.217  -6.645  -1.202
  192   2HB   TYR  23          1HB       TYR  23  -1.379  -6.249  -2.475
  193    HD1  TYR  23           1HD      TYR  23  -1.895  -7.822  -4.147
  194    HD2  TYR  23           2HD      TYR  23   1.508  -8.439  -1.669
  195    HE1  TYR  23           1HE      TYR  23  -1.618 -10.071  -5.099
  196    HE2  TYR  23           2HE      TYR  23   1.793 -10.693  -2.609
  197    HH   TYR  23           HH       TYR  23   0.319 -11.719  -5.402
  198    H    ASN  24           H        ASN  24   2.424  -5.433  -4.647
  199    HA   ASN  24           HA       ASN  24   0.764  -4.666  -6.844
  200   1HB   ASN  24          2HB       ASN  24   3.127  -3.960  -6.545
  201   2HB   ASN  24          1HB       ASN  24   3.635  -5.629  -6.821
  202   1HD2  ASN  24          1HD2      ASN  24   2.601  -2.692  -8.249
  203   2HD2  ASN  24          2HD2      ASN  24   2.730  -3.201  -9.918
  204    H    ALA  25           H        ALA  25  -0.364  -5.990  -8.147
  205    HA   ALA  25           HA       ALA  25  -0.140  -8.852  -7.822
  206   1HB   ALA  25          1HB       ALA  25  -1.917  -7.591  -9.861
  207   2HB   ALA  25          2HB       ALA  25  -2.286  -7.415  -8.145
  208   3HB   ALA  25          3HB       ALA  25  -2.181  -9.023  -8.864
  209    H    LYS  26           H        LYS  26   1.956  -7.144  -9.298
  210    HA   LYS  26           HA       LYS  26   2.024  -8.739 -11.779
  211   1HB   LYS  26          2HB       LYS  26   2.304  -5.952 -11.413
  212   2HB   LYS  26          1HB       LYS  26   3.914  -6.560 -11.772
  213   1HG   LYS  26          2HG       LYS  26   2.325  -7.844 -13.622
  214   2HG   LYS  26          1HG       LYS  26   1.618  -6.231 -13.514
  215   1HD   LYS  26          2HD       LYS  26   3.502  -5.202 -14.317
  216   2HD   LYS  26          1HD       LYS  26   4.578  -6.463 -13.711
  217   1HE   LYS  26          2HE       LYS  26   2.937  -7.720 -15.599
  218   2HE   LYS  26          1HE       LYS  26   3.381  -6.171 -16.316
  219   1HZ   LYS  26          1HZ       LYS  26   5.575  -6.724 -16.384
  220   2HZ   LYS  26          2HZ       LYS  26   4.907  -8.266 -16.566
  221   3HZ   LYS  26          3HZ       LYS  26   5.488  -7.770 -15.057
  222    H    ALA  27           H        ALA  27   3.792  -7.545  -9.001
  223    HA   ALA  27           HA       ALA  27   6.025  -9.350  -9.603
  224   1HB   ALA  27          1HB       ALA  27   7.115  -7.444  -9.094
  225   2HB   ALA  27          2HB       ALA  27   6.856  -7.977  -7.434
  226   3HB   ALA  27          3HB       ALA  27   5.768  -6.795  -8.159
  227    H    GLY  28           H        GLY  28   3.196  -9.178  -7.782
  228   1HA   GLY  28          2HA       GLY  28   2.278 -10.607  -6.283
  229   2HA   GLY  28          1HA       GLY  28   3.691 -11.584  -6.521
  230    H    LEU  29           H        LEU  29   4.833  -8.710  -5.666
  231    HA   LEU  29           HA       LEU  29   4.821  -9.375  -2.800
  232   1HB   LEU  29          2HB       LEU  29   7.093  -8.348  -2.704
  233   2HB   LEU  29          1HB       LEU  29   7.002  -9.839  -3.620
  234    HG   LEU  29           HG       LEU  29   6.614  -7.824  -5.516
  235   1HD1  LEU  29          1HD1      LEU  29   7.377  -6.036  -4.267
  236   2HD1  LEU  29          2HD1      LEU  29   8.843  -6.573  -5.085
  237   3HD1  LEU  29          3HD1      LEU  29   8.563  -7.011  -3.401
  238   1HD2  LEU  29          1HD2      LEU  29   8.954  -9.551  -4.762
  239   2HD2  LEU  29          2HD2      LEU  29   8.989  -8.479  -6.162
  240   3HD2  LEU  29          3HD2      LEU  29   7.798  -9.777  -6.074
  241    H    CYS  30           H        CYS  30   5.648  -7.358  -1.498
  242    HA   CYS  30           HA       CYS  30   3.813  -5.229  -2.182
  243   1HB   CYS  30          2HB       CYS  30   4.990  -6.242   0.270
  244   2HB   CYS  30          1HB       CYS  30   5.092  -4.483   0.174
  245    H    GLN  31           H        GLN  31   4.347  -3.360  -3.063
  246    HA   GLN  31           HA       GLN  31   7.201  -2.640  -3.141
  247   1HB   GLN  31          2HB       GLN  31   5.081  -1.725  -5.075
  248   2HB   GLN  31          1HB       GLN  31   6.812  -1.493  -5.215
  249   1HG   GLN  31          2HG       GLN  31   6.414  -4.262  -4.998
  250   2HG   GLN  31          1HG       GLN  31   5.194  -3.668  -6.124
  251   1HE2  GLN  31          1HE2      GLN  31   6.233  -4.753  -7.825
  252   2HE2  GLN  31          2HE2      GLN  31   7.681  -4.135  -8.535
  253    H    THR  32           H        THR  32   7.610  -0.279  -3.271
  254    HA   THR  32           HA       THR  32   5.921   1.071  -1.304
  255    HB   THR  32           HB       THR  32   7.864   2.594  -1.031
  256    HG1  THR  32           1HG      THR  32   9.745   2.157  -2.086
  257   1HG2  THR  32          1HG2      THR  32   9.509   0.512  -0.480
  258   2HG2  THR  32          2HG2      THR  32   7.922  -0.255  -0.453
  259   3HG2  THR  32          3HG2      THR  32   8.252   1.127   0.592
  260    H    PHE  33           H        PHE  33   5.513   3.355  -1.469
  261    HA   PHE  33           HA       PHE  33   5.838   4.628  -4.032
  262   1HB   PHE  33          2HB       PHE  33   3.420   5.132  -4.326
  263   2HB   PHE  33          1HB       PHE  33   3.821   3.438  -4.550
  264    HD1  PHE  33           1HD      PHE  33   3.747   2.213  -2.000
  265    HD2  PHE  33           2HD      PHE  33   1.358   5.418  -3.450
  266    HE1  PHE  33           1HE      PHE  33   1.980   1.617  -0.399
  267    HE2  PHE  33           2HE      PHE  33  -0.413   4.827  -1.852
  268    HZ   PHE  33           HZ       PHE  33  -0.102   2.925  -0.322
  269    H    VAL  34           H        VAL  34   5.008   6.876  -4.003
  270    HA   VAL  34           HA       VAL  34   5.710   8.081  -1.468
  271    HB   VAL  34           HB       VAL  34   5.101   9.452  -4.085
  272   1HG1  VAL  34          1HG1      VAL  34   5.701  10.412  -1.446
  273   2HG1  VAL  34          2HG1      VAL  34   5.317  11.323  -2.907
  274   3HG1  VAL  34          3HG1      VAL  34   6.988  10.877  -2.561
  275   1HG2  VAL  34          1HG2      VAL  34   7.186   7.696  -3.608
  276   2HG2  VAL  34          2HG2      VAL  34   7.904   9.285  -3.341
  277   3HG2  VAL  34          3HG2      VAL  34   7.118   8.919  -4.878
  278    H    TYR  35           H        TYR  35   3.698   7.330  -0.474
  279    HA   TYR  35           HA       TYR  35   1.168   8.405  -1.229
  280   1HB   TYR  35          2HB       TYR  35   1.197   6.386   0.049
  281   2HB   TYR  35          1HB       TYR  35   2.191   7.114   1.306
  282    HD1  TYR  35           1HD      TYR  35  -0.740   8.719  -0.179
  283    HD2  TYR  35           2HD      TYR  35   0.791   6.634   3.127
  284    HE1  TYR  35           1HE      TYR  35  -2.759   9.301   1.092
  285    HE2  TYR  35           2HE      TYR  35  -1.218   7.180   4.427
  286    HH   TYR  35           HH       TYR  35  -4.005   8.529   2.987
  287    H    GLY  36           H        GLY  36   0.098  10.276  -0.507
  288   1HA   GLY  36          2HA       GLY  36   1.804  12.134   0.988
  289   2HA   GLY  36          1HA       GLY  36   0.535  12.613  -0.117
  290    H    GLY  37           H        GLY  37  -0.152  10.126   2.242
  291   1HA   GLY  37          2HA       GLY  37  -1.502  10.136   4.089
  292   2HA   GLY  37          1HA       GLY  37  -0.901  11.742   4.372
  293    H    CYS  38           H        CYS  38  -2.618  11.080   1.447
  294    HA   CYS  38           HA       CYS  38  -4.970  12.454   2.577
  295   1HB   CYS  38          2HB       CYS  38  -3.396  13.076   0.256
  296   2HB   CYS  38          1HB       CYS  38  -5.053  12.732  -0.216
  297    H    ARG  39           H        ARG  39  -6.779  11.342   2.630
  298    HA   ARG  39           HA       ARG  39  -8.219   9.583   2.435
  299   1HB   ARG  39          2HB       ARG  39  -8.562  11.167   0.408
  300   2HB   ARG  39          1HB       ARG  39  -7.863   9.854  -0.530
  301   1HG   ARG  39          2HG       ARG  39 -10.316   9.815  -0.527
  302   2HG   ARG  39          1HG       ARG  39  -9.622   8.358   0.187
  303   1HD   ARG  39          2HD       ARG  39 -10.262  10.614   2.007
  304   2HD   ARG  39          1HD       ARG  39 -11.614   9.705   1.333
  305    HE   ARG  39           HE       ARG  39  -9.544   8.070   2.495
  306   1HH1  ARG  39          1HH1      ARG  39 -12.509   9.818   3.093
  307   2HH1  ARG  39          2HH1      ARG  39 -12.919   8.887   4.493
  308   1HH2  ARG  39          1HH2      ARG  39 -10.083   6.853   4.345
  309   2HH2  ARG  39          2HH2      ARG  39 -11.544   7.208   5.204
  310    H    ALA  40           H        ALA  40  -6.107   8.368   3.155
  311    HA   ALA  40           HA       ALA  40  -4.779   6.628   1.420
  312   1HB   ALA  40          1HB       ALA  40  -4.994   5.261   3.843
  313   2HB   ALA  40          2HB       ALA  40  -5.024   6.975   4.263
  314   3HB   ALA  40          3HB       ALA  40  -3.684   6.321   3.320
  315    H    LYS  41           H        LYS  41  -5.090   4.415   0.917
  316    HA   LYS  41           HA       LYS  41  -7.908   3.601   1.008
  317   1HB   LYS  41          2HB       LYS  41  -5.824   3.436  -1.011
  318   2HB   LYS  41          1HB       LYS  41  -6.609   1.885  -0.750
  319   1HG   LYS  41          2HG       LYS  41  -7.756   3.019  -2.503
  320   2HG   LYS  41          1HG       LYS  41  -8.802   3.010  -1.081
  321   1HD   LYS  41          2HD       LYS  41  -7.016   5.338  -1.323
  322   2HD   LYS  41          1HD       LYS  41  -8.266   5.206  -2.562
  323   1HE   LYS  41          2HE       LYS  41  -9.483   4.622  -0.081
  324   2HE   LYS  41          1HE       LYS  41  -8.504   6.070   0.153
  325   1HZ   LYS  41          1HZ       LYS  41 -10.832   6.472  -0.605
  326   2HZ   LYS  41          2HZ       LYS  41 -10.432   5.746  -2.078
  327   3HZ   LYS  41          3HZ       LYS  41  -9.647   7.164  -1.594
  328    H    ARG  42           H        ARG  42  -7.720   0.924   0.498
  329    HA   ARG  42           HA       ARG  42  -7.065  -0.103   3.097
  330   1HB   ARG  42          2HB       ARG  42  -7.989  -1.577   0.615
  331   2HB   ARG  42          1HB       ARG  42  -7.961  -2.226   2.258
  332   1HG   ARG  42          2HG       ARG  42  -9.440   0.006   2.630
  333   2HG   ARG  42          1HG       ARG  42  -9.878  -0.404   0.970
  334   1HD   ARG  42          2HD       ARG  42  -9.911  -2.435   3.185
  335   2HD   ARG  42          1HD       ARG  42 -11.298  -1.403   2.841
  336    HE   ARG  42           HE       ARG  42 -10.379  -2.723   0.498
  337   1HH1  ARG  42          1HH1      ARG  42 -12.224  -3.211   3.421
  338   2HH1  ARG  42          2HH1      ARG  42 -13.161  -4.510   2.761
  339   1HH2  ARG  42          1HH2      ARG  42 -11.610  -4.430  -0.369
  340   2HH2  ARG  42          2HH2      ARG  42 -12.810  -5.203   0.611
  341    H    ASN  43           H        ASN  43  -5.644  -0.326  -0.130
  342    HA   ASN  43           HA       ASN  43  -3.662  -2.220   0.823
  343   1HB   ASN  43          2HB       ASN  43  -4.840  -2.092  -1.567
  344   2HB   ASN  43          1HB       ASN  43  -3.468  -1.042  -1.904
  345   1HD2  ASN  43          1HD2      ASN  43  -3.673  -3.284  -3.331
  346   2HD2  ASN  43          2HD2      ASN  43  -2.496  -4.448  -2.839
  347    H    ASN  44           H        ASN  44  -3.108  -0.377   2.363
  348    HA   ASN  44           HA       ASN  44  -0.705   0.911   1.311
  349   1HB   ASN  44          2HB       ASN  44  -2.837   2.404   2.859
  350   2HB   ASN  44          1HB       ASN  44  -1.267   3.052   2.396
  351   1HD2  ASN  44          1HD2      ASN  44  -1.407   4.387   0.765
  352   2HD2  ASN  44          2HD2      ASN  44  -2.489   4.248  -0.585
  353    H    PHE  45           H        PHE  45   0.463  -0.617   2.550
  354    HA   PHE  45           HA       PHE  45   0.068  -0.610   5.446
  355   1HB   PHE  45          2HB       PHE  45   2.205  -2.168   4.020
  356   2HB   PHE  45          1HB       PHE  45   1.375  -2.549   5.524
  357    HD1  PHE  45           1HD      PHE  45   1.635  -3.358   2.147
  358    HD2  PHE  45           2HD      PHE  45  -1.232  -2.892   5.250
  359    HE1  PHE  45           1HE      PHE  45   0.067  -4.784   0.901
  360    HE2  PHE  45           2HE      PHE  45  -2.807  -4.313   4.011
  361    HZ   PHE  45           HZ       PHE  45  -2.161  -5.266   1.833
  362    H    LYS  46           H        LYS  46   2.018  -0.445   6.827
  363    HA   LYS  46           HA       LYS  46   3.782   1.688   5.825
  364   1HB   LYS  46          2HB       LYS  46   2.867   0.965   8.607
  365   2HB   LYS  46          1HB       LYS  46   4.201   2.071   8.309
  366   1HG   LYS  46          2HG       LYS  46   2.815   3.671   7.336
  367   2HG   LYS  46          1HG       LYS  46   1.509   2.514   7.077
  368   1HD   LYS  46          2HD       LYS  46   0.859   3.889   8.900
  369   2HD   LYS  46          1HD       LYS  46   1.323   2.328   9.579
  370   1HE   LYS  46          2HE       LYS  46   2.927   3.261  10.810
  371   2HE   LYS  46          1HE       LYS  46   3.598   4.093   9.407
  372   1HZ   LYS  46          1HZ       LYS  46   2.527   5.361  11.468
  373   2HZ   LYS  46          2HZ       LYS  46   1.143   5.198  10.510
  374   3HZ   LYS  46          3HZ       LYS  46   2.507   5.988   9.897
  375    H    SER  47           H        SER  47   3.748  -1.592   6.485
  376    HA   SER  47           HA       SER  47   6.626  -1.718   6.371
  377   1HB   SER  47          2HB       SER  47   6.179  -3.486   8.452
  378   2HB   SER  47          1HB       SER  47   6.906  -1.891   8.589
  379    HG   SER  47           HG       SER  47   4.919  -2.516   9.910
  380    H    ALA  48           H        ALA  48   7.433  -3.847   5.970
  381    HA   ALA  48           HA       ALA  48   5.960  -5.324   4.125
  382   1HB   ALA  48          1HB       ALA  48   7.799  -6.656   3.934
  383   2HB   ALA  48          2HB       ALA  48   8.069  -6.731   5.675
  384   3HB   ALA  48          3HB       ALA  48   8.536  -5.290   4.771
  385    H    GLU  49           H        GLU  49   6.105  -5.525   7.606
  386    HA   GLU  49           HA       GLU  49   4.986  -8.129   7.853
  387   1HB   GLU  49          2HB       GLU  49   5.998  -6.158   9.602
  388   2HB   GLU  49          1HB       GLU  49   4.337  -6.441  10.101
  389   1HG   GLU  49          2HG       GLU  49   6.442  -8.564   9.766
  390   2HG   GLU  49          1HG       GLU  49   5.929  -7.860  11.299
  391    H    ASP  50           H        ASP  50   3.589  -4.858   8.053
  392    HA   ASP  50           HA       ASP  50   0.944  -5.601   8.537
  393   1HB   ASP  50          2HB       ASP  50   2.244  -3.232   7.248
  394   2HB   ASP  50          1HB       ASP  50   0.499  -3.422   7.093
  395    H    CYS  51           H        CYS  51   2.811  -5.400   5.572
  396    HA   CYS  51           HA       CYS  51   0.787  -5.825   3.676
  397   1HB   CYS  51          2HB       CYS  51   3.172  -5.272   3.153
  398   2HB   CYS  51          1HB       CYS  51   3.626  -6.897   3.618
  399    H    LEU  52           H        LEU  52   3.139  -8.217   4.753
  400    HA   LEU  52           HA       LEU  52   1.910 -10.499   3.845
  401   1HB   LEU  52          2HB       LEU  52   3.484 -10.175   6.404
  402   2HB   LEU  52          1HB       LEU  52   3.128 -11.710   5.635
  403    HG   LEU  52           HG       LEU  52   4.802  -9.497   4.450
  404   1HD1  LEU  52          1HD1      LEU  52   6.030 -12.096   4.884
  405   2HD1  LEU  52          2HD1      LEU  52   5.513 -11.318   6.381
  406   3HD1  LEU  52          3HD1      LEU  52   6.614 -10.481   5.287
  407   1HD2  LEU  52          1HD2      LEU  52   3.568 -11.905   3.318
  408   2HD2  LEU  52          2HD2      LEU  52   5.288 -11.719   2.974
  409   3HD2  LEU  52          3HD2      LEU  52   4.156 -10.445   2.523
  410    H    ARG  53           H        ARG  53   1.221  -8.689   6.766
  411    HA   ARG  53           HA       ARG  53  -0.525 -10.606   7.916
  412   1HB   ARG  53          2HB       ARG  53   0.593  -8.233   8.752
  413   2HB   ARG  53          1HB       ARG  53  -1.099  -7.799   8.557
  414   1HG   ARG  53          2HG       ARG  53  -0.617 -10.324   9.978
  415   2HG   ARG  53          1HG       ARG  53  -0.041  -8.872  10.798
  416   1HD   ARG  53          2HD       ARG  53  -2.143  -8.037  11.092
  417   2HD   ARG  53          1HD       ARG  53  -2.766  -8.798   9.630
  418    HE   ARG  53           HE       ARG  53  -3.300 -10.669  10.855
  419   1HH1  ARG  53          1HH1      ARG  53  -1.296  -8.558  12.785
  420   2HH1  ARG  53          2HH1      ARG  53  -1.563  -9.441  14.249
  421   1HH2  ARG  53          1HH2      ARG  53  -3.649 -11.828  12.783
  422   2HH2  ARG  53          2HH2      ARG  53  -2.896 -11.295  14.249
  423    H    THR  54           H        THR  54  -0.899  -8.076   5.521
  424    HA   THR  54           HA       THR  54  -3.812  -8.355   5.553
  425    HB   THR  54           HB       THR  54  -2.222  -6.609   3.689
  426    HG1  THR  54           1HG      THR  54  -1.528  -5.765   5.512
  427   1HG2  THR  54          1HG2      THR  54  -4.645  -5.503   4.771
  428   2HG2  THR  54          2HG2      THR  54  -4.951  -7.047   3.978
  429   3HG2  THR  54          3HG2      THR  54  -4.165  -5.744   3.090
  430    H    CYS  55           H        CYS  55  -1.146  -8.680   3.175
  431    HA   CYS  55           HA       CYS  55  -2.960 -10.348   1.566
  432   1HB   CYS  55          2HB       CYS  55  -0.820  -8.389   0.784
  433   2HB   CYS  55          1HB       CYS  55  -1.367  -9.635  -0.334
  434    H    GLY  56           H        GLY  56  -1.101 -11.206   3.744
  435   1HA   GLY  56          2HA       GLY  56   0.568 -13.006   2.091
  436   2HA   GLY  56          1HA       GLY  56   1.126 -12.339   3.618
  437    H    GLY  57           H        GLY  57   1.095 -13.773   5.195
  438   1HA   GLY  57          2HA       GLY  57  -0.579 -16.139   5.012
  439   2HA   GLY  57          1HA       GLY  57   0.657 -15.821   6.220
  440    H    ALA  58           H        ALA  58  -1.781 -16.920   6.909
  441    HA   ALA  58           HA       ALA  58  -3.510 -16.701   8.370
  442   1HB   ALA  58          1HB       ALA  58  -2.151 -16.064  10.092
  443   2HB   ALA  58          2HB       ALA  58  -3.180 -14.636   9.978
  444   3HB   ALA  58          3HB       ALA  58  -1.573 -14.625   9.251
  Start of MODEL    9
    1   1H    ARG   1          1HT       ARG   1  -6.146 -14.664  -0.021
    2   2H    ARG   1          2HT       ARG   1  -4.825 -15.102  -1.024
    3   3H    ARG   1          3HT       ARG   1  -6.426 -15.150  -1.640
    4    HA   ARG   1           HA       ARG   1  -4.957 -12.750  -0.777
    5   1HB   ARG   1          2HB       ARG   1  -5.795 -13.718  -3.519
    6   2HB   ARG   1          1HB       ARG   1  -4.935 -12.226  -3.169
    7   1HG   ARG   1          2HG       ARG   1  -3.111 -13.701  -2.178
    8   2HG   ARG   1          1HG       ARG   1  -3.936 -15.045  -2.972
    9   1HD   ARG   1          2HD       ARG   1  -3.455 -14.266  -5.088
   10   2HD   ARG   1          1HD       ARG   1  -3.282 -12.598  -4.546
   11    HE   ARG   1           HE       ARG   1  -1.065 -12.993  -4.219
   12   1HH1  ARG   1          1HH1      ARG   1  -2.723 -16.067  -4.245
   13   2HH1  ARG   1          2HH1      ARG   1  -1.264 -16.993  -4.147
   14   1HH2  ARG   1          1HH2      ARG   1   0.851 -14.213  -4.096
   15   2HH2  ARG   1          2HH2      ARG   1   0.764 -15.944  -4.063
   16    HA   PRO   2           HA       PRO   2  -9.328 -11.638  -0.141
   17   1HB   PRO   2          2HB       PRO   2  -8.087  -9.100   0.700
   18   2HB   PRO   2          1HB       PRO   2  -9.231 -10.130   1.566
   19   1HG   PRO   2          2HG       PRO   2  -6.642  -9.959   2.270
   20   2HG   PRO   2          1HG       PRO   2  -7.570 -11.466   2.433
   21   1HD   PRO   2          2HD       PRO   2  -5.532 -10.707   0.390
   22   2HD   PRO   2          1HD       PRO   2  -5.870 -12.292   1.116
   23    H    ASP   3           H        ASP   3 -10.720 -10.179  -1.177
   24    HA   ASP   3           HA       ASP   3 -10.205  -9.529  -3.787
   25   1HB   ASP   3          2HB       ASP   3 -12.327  -9.129  -1.951
   26   2HB   ASP   3          1HB       ASP   3 -12.041  -7.588  -2.752
   27    H    PHE   4           H        PHE   4 -10.263  -7.153  -1.115
   28    HA   PHE   4           HA       PHE   4  -9.474  -4.939  -2.516
   29   1HB   PHE   4          2HB       PHE   4  -8.858  -3.991  -0.398
   30   2HB   PHE   4          1HB       PHE   4 -10.279  -4.991  -0.170
   31    HD1  PHE   4           1HD      PHE   4 -10.307  -6.597   1.485
   32    HD2  PHE   4           2HD      PHE   4  -6.578  -5.061   0.135
   33    HE1  PHE   4           1HE      PHE   4  -9.157  -7.829   3.275
   34    HE2  PHE   4           2HE      PHE   4  -5.422  -6.290   1.917
   35    HZ   PHE   4           HZ       PHE   4  -6.707  -7.686   3.491
   36    H    CYS   5           H        CYS   5  -7.487  -7.639  -1.528
   37    HA   CYS   5           HA       CYS   5  -4.968  -6.427  -1.521
   38   1HB   CYS   5          2HB       CYS   5  -5.239  -8.720  -0.781
   39   2HB   CYS   5          1HB       CYS   5  -5.739  -9.220  -2.395
   40    H    LEU   6           H        LEU   6  -7.129  -7.030  -4.130
   41    HA   LEU   6           HA       LEU   6  -5.061  -6.708  -6.158
   42   1HB   LEU   6          2HB       LEU   6  -8.012  -6.856  -6.688
   43   2HB   LEU   6          1HB       LEU   6  -6.688  -7.300  -7.747
   44    HG   LEU   6           HG       LEU   6  -7.328  -8.813  -5.223
   45   1HD1  LEU   6          1HD1      LEU   6  -8.188 -10.464  -7.127
   46   2HD1  LEU   6          2HD1      LEU   6  -8.569  -8.929  -7.906
   47   3HD1  LEU   6          3HD1      LEU   6  -9.247  -9.306  -6.322
   48   1HD2  LEU   6          1HD2      LEU   6  -6.168 -10.555  -6.922
   49   2HD2  LEU   6          2HD2      LEU   6  -5.275  -9.592  -5.745
   50   3HD2  LEU   6          3HD2      LEU   6  -5.382  -9.057  -7.422
   51    H    GLU   7           H        GLU   7  -5.739  -4.514  -4.287
   52    HA   GLU   7           HA       GLU   7  -6.857  -2.543  -6.157
   53   1HB   GLU   7          2HB       GLU   7  -7.939  -2.799  -3.913
   54   2HB   GLU   7          1HB       GLU   7  -6.434  -2.259  -3.176
   55   1HG   GLU   7          2HG       GLU   7  -6.818  -0.230  -4.857
   56   2HG   GLU   7          1HG       GLU   7  -8.496  -0.726  -4.639
   57    HA   PRO   8           HA       PRO   8  -2.717  -0.976  -6.740
   58   1HB   PRO   8          2HB       PRO   8  -3.409   1.441  -7.816
   59   2HB   PRO   8          1HB       PRO   8  -3.402  -0.072  -8.728
   60   1HG   PRO   8          2HG       PRO   8  -5.698   1.364  -7.457
   61   2HG   PRO   8          1HG       PRO   8  -5.612   0.571  -9.041
   62   1HD   PRO   8          2HD       PRO   8  -6.792  -0.595  -6.918
   63   2HD   PRO   8          1HD       PRO   8  -5.909  -1.538  -8.139
   64    HA   PRO   9           HA       PRO   9  -1.873   1.685  -3.311
   65   1HB   PRO   9          2HB       PRO   9   0.254   3.110  -4.184
   66   2HB   PRO   9          1HB       PRO   9   0.360   1.389  -3.797
   67   1HG   PRO   9          2HG       PRO   9   0.041   2.708  -6.473
   68   2HG   PRO   9          1HG       PRO   9   1.131   1.386  -6.001
   69   1HD   PRO   9          2HD       PRO   9  -1.199   0.941  -7.294
   70   2HD   PRO   9          1HD       PRO   9  -0.545  -0.199  -6.094
   71    H    TYR  10           H        TYR  10  -2.426   3.672  -2.506
   72    HA   TYR  10           HA       TYR  10  -3.251   5.733  -4.459
   73   1HB   TYR  10          2HB       TYR  10  -5.111   4.517  -3.232
   74   2HB   TYR  10          1HB       TYR  10  -4.524   5.276  -1.756
   75    HD1  TYR  10           1HD      TYR  10  -5.310   7.379  -1.149
   76    HD2  TYR  10           2HD      TYR  10  -5.732   6.105  -5.185
   77    HE1  TYR  10           1HE      TYR  10  -6.639   9.390  -1.639
   78    HE2  TYR  10           2HE      TYR  10  -7.065   8.108  -5.686
   79    HH   TYR  10           HH       TYR  10  -7.745  10.115  -4.919
   80    H    THR  11           H        THR  11  -2.090   7.519  -4.335
   81    HA   THR  11           HA       THR  11  -0.562   8.117  -1.899
   82    HB   THR  11           HB       THR  11  -0.392   9.222  -4.712
   83    HG1  THR  11           1HG      THR  11   1.234   7.864  -4.972
   84   1HG2  THR  11          1HG2      THR  11   0.431  10.971  -3.407
   85   2HG2  THR  11          2HG2      THR  11   1.859  10.059  -3.893
   86   3HG2  THR  11          3HG2      THR  11   1.205   9.873  -2.265
   87    H    GLY  12           H        GLY  12  -3.456   9.082  -3.373
   88   1HA   GLY  12          2HA       GLY  12  -4.920  10.764  -2.976
   89   2HA   GLY  12          1HA       GLY  12  -4.015  11.021  -1.500
   90    HA   PRO  13           HA       PRO  13  -3.342  14.508  -4.664
   91   1HB   PRO  13          2HB       PRO  13  -5.237  16.192  -3.252
   92   2HB   PRO  13          1HB       PRO  13  -5.244  15.694  -4.945
   93   1HG   PRO  13          2HG       PRO  13  -7.076  14.834  -3.120
   94   2HG   PRO  13          1HG       PRO  13  -6.597  13.895  -4.544
   95   1HD   PRO  13          2HD       PRO  13  -5.714  13.609  -1.696
   96   2HD   PRO  13          1HD       PRO  13  -6.100  12.349  -2.894
   97    H    CYS  14           H        CYS  14  -3.268  14.102  -1.285
   98    HA   CYS  14           HA       CYS  14  -2.423  16.581  -0.352
   99   1HB   CYS  14          2HB       CYS  14  -1.952  13.766   0.546
  100   2HB   CYS  14          1HB       CYS  14  -1.085  15.087   1.329
  101    H    ARG  15           H        ARG  15  -0.142  16.879   0.596
  102    HA   ARG  15           HA       ARG  15   1.816  16.358  -1.547
  103   1HB   ARG  15          2HB       ARG  15   0.797  18.812  -0.822
  104   2HB   ARG  15          1HB       ARG  15   2.314  18.751   0.063
  105   1HG   ARG  15          2HG       ARG  15   3.083  19.647  -1.865
  106   2HG   ARG  15          1HG       ARG  15   3.209  17.944  -2.310
  107   1HD   ARG  15          2HD       ARG  15   0.562  18.951  -2.842
  108   2HD   ARG  15          1HD       ARG  15   1.779  19.951  -3.635
  109    HE   ARG  15           HE       ARG  15   2.606  17.544  -4.352
  110   1HH1  ARG  15          1HH1      ARG  15  -0.636  18.847  -4.297
  111   2HH1  ARG  15          2HH1      ARG  15  -1.190  17.847  -5.597
  112   1HH2  ARG  15          1HH2      ARG  15   1.875  16.236  -6.063
  113   2HH2  ARG  15          2HH2      ARG  15   0.235  16.369  -6.601
  114    H    VAL  16           H        VAL  16   1.424  14.765   0.857
  115    HA   VAL  16           HA       VAL  16   3.713  15.431   2.537
  116    HB   VAL  16           HB       VAL  16   2.214  12.871   2.894
  117   1HG1  VAL  16          1HG1      VAL  16   2.501  14.041   5.333
  118   2HG1  VAL  16          2HG1      VAL  16   3.899  14.678   4.467
  119   3HG1  VAL  16          3HG1      VAL  16   3.665  12.936   4.602
  120   1HG2  VAL  16          1HG2      VAL  16   1.104  15.405   4.059
  121   2HG2  VAL  16          2HG2      VAL  16   0.350  13.812   3.941
  122   3HG2  VAL  16          3HG2      VAL  16   0.549  14.803   2.496
  123    H    ARG  17           H        ARG  17   5.001  13.273   3.191
  124    HA   ARG  17           HA       ARG  17   5.703  11.798   0.745
  125   1HB   ARG  17          2HB       ARG  17   7.642  13.143   2.639
  126   2HB   ARG  17          1HB       ARG  17   8.108  12.018   1.371
  127   1HG   ARG  17          2HG       ARG  17   7.125  13.570  -0.295
  128   2HG   ARG  17          1HG       ARG  17   6.827  14.717   1.012
  129   1HD   ARG  17          2HD       ARG  17   8.870  15.351  -0.032
  130   2HD   ARG  17          1HD       ARG  17   9.278  14.629   1.523
  131    HE   ARG  17           HE       ARG  17  10.440  13.025   0.404
  132   1HH1  ARG  17          1HH1      ARG  17   8.134  14.429  -1.810
  133   2HH1  ARG  17          2HH1      ARG  17   8.712  13.534  -3.174
  134   1HH2  ARG  17          1HH2      ARG  17  11.196  11.845  -1.394
  135   2HH2  ARG  17          2HH2      ARG  17  10.444  12.069  -2.939
  136    H    ILE  18           H        ILE  18   4.561  10.011   1.646
  137    HA   ILE  18           HA       ILE  18   5.906   8.778   3.967
  138    HB   ILE  18           HB       ILE  18   3.025   8.557   3.086
  139   1HG1  ILE  18          2HG1      ILE  18   4.347   9.694   5.556
  140   2HG1  ILE  18          1HG1      ILE  18   3.452  10.583   4.331
  141   1HG2  ILE  18          1HG2      ILE  18   2.661   6.779   4.413
  142   2HG2  ILE  18          2HG2      ILE  18   3.855   7.287   5.608
  143   3HG2  ILE  18          3HG2      ILE  18   4.375   6.476   4.132
  144   1HD1  ILE  18          1HD1      ILE  18   1.560  10.269   5.428
  145   2HD1  ILE  18          2HD1      ILE  18   2.484   9.501   6.721
  146   3HD1  ILE  18          3HD1      ILE  18   1.797   8.521   5.425
  147    H    ILE  19           H        ILE  19   7.040   7.006   3.501
  148    HA   ILE  19           HA       ILE  19   6.709   5.680   0.946
  149    HB   ILE  19           HB       ILE  19   8.637   5.148   3.220
  150   1HG1  ILE  19          2HG1      ILE  19  10.266   6.058   1.416
  151   2HG1  ILE  19          1HG1      ILE  19   8.820   6.737   0.676
  152   1HG2  ILE  19          1HG2      ILE  19   8.556   3.991   0.434
  153   2HG2  ILE  19          2HG2      ILE  19   8.291   3.121   1.945
  154   3HG2  ILE  19          3HG2      ILE  19   9.882   3.785   1.578
  155   1HD1  ILE  19          1HD1      ILE  19   8.403   8.118   2.534
  156   2HD1  ILE  19          2HD1      ILE  19  10.130   8.256   2.201
  157   3HD1  ILE  19          3HD1      ILE  19   9.567   7.250   3.536
  158    H    ARG  20           H        ARG  20   4.654   4.748   1.220
  159    HA   ARG  20           HA       ARG  20   4.282   2.844   3.390
  160   1HB   ARG  20          2HB       ARG  20   2.390   3.768   1.232
  161   2HB   ARG  20          1HB       ARG  20   1.963   2.680   2.548
  162   1HG   ARG  20          2HG       ARG  20   3.074   5.413   3.050
  163   2HG   ARG  20          1HG       ARG  20   1.356   5.129   2.798
  164   1HD   ARG  20          2HD       ARG  20   1.440   4.970   5.072
  165   2HD   ARG  20          1HD       ARG  20   1.727   3.293   4.636
  166    HE   ARG  20           HE       ARG  20   4.143   3.799   4.943
  167   1HH1  ARG  20          1HH1      ARG  20   1.748   5.774   6.558
  168   2HH1  ARG  20          2HH1      ARG  20   2.801   6.183   7.868
  169   1HH2  ARG  20          1HH2      ARG  20   5.509   4.332   6.673
  170   2HH2  ARG  20          2HH2      ARG  20   4.929   5.364   7.937
  171    H    TYR  21           H        TYR  21   2.865   0.856   2.636
  172    HA   TYR  21           HA       TYR  21   4.350  -0.462   0.457
  173   1HB   TYR  21          2HB       TYR  21   3.717  -1.320   3.226
  174   2HB   TYR  21          1HB       TYR  21   3.603  -2.551   1.975
  175    HD1  TYR  21           1HD      TYR  21   5.886  -0.166   3.625
  176    HD2  TYR  21           2HD      TYR  21   5.546  -3.500   1.012
  177    HE1  TYR  21           1HE      TYR  21   8.317  -0.505   3.751
  178    HE2  TYR  21           2HE      TYR  21   7.974  -3.848   1.129
  179    HH   TYR  21           HH       TYR  21  10.038  -2.256   1.648
  180    H    PHE  22           H        PHE  22   3.212  -1.770  -0.936
  181    HA   PHE  22           HA       PHE  22   0.381  -2.247  -0.438
  182   1HB   PHE  22          2HB       PHE  22  -0.418  -1.347  -2.452
  183   2HB   PHE  22          1HB       PHE  22   0.647  -0.119  -1.804
  184    HD1  PHE  22           1HD      PHE  22   3.079  -0.099  -2.709
  185    HD2  PHE  22           2HD      PHE  22  -0.160  -2.098  -4.615
  186    HE1  PHE  22           1HE      PHE  22   4.336  -0.111  -4.826
  187    HE2  PHE  22           2HE      PHE  22   1.090  -2.113  -6.735
  188    HZ   PHE  22           HZ       PHE  22   3.342  -1.123  -6.841
  189    H    TYR  23           H        TYR  23  -0.499  -3.637  -2.324
  190    HA   TYR  23           HA       TYR  23   1.487  -5.772  -2.774
  191   1HB   TYR  23          2HB       TYR  23  -0.494  -6.458  -1.532
  192   2HB   TYR  23          1HB       TYR  23  -1.544  -5.871  -2.828
  193    HD1  TYR  23           1HD      TYR  23  -2.028  -7.227  -4.698
  194    HD2  TYR  23           2HD      TYR  23   1.047  -8.392  -1.997
  195    HE1  TYR  23           1HE      TYR  23  -1.895  -9.420  -5.804
  196    HE2  TYR  23           2HE      TYR  23   1.185 -10.589  -3.094
  197    HH   TYR  23           HH       TYR  23   0.644 -11.660  -5.143
  198    H    ASN  24           H        ASN  24   2.495  -5.287  -4.678
  199    HA   ASN  24           HA       ASN  24   1.150  -4.253  -6.961
  200   1HB   ASN  24          2HB       ASN  24   3.586  -3.980  -6.464
  201   2HB   ASN  24          1HB       ASN  24   3.811  -5.691  -6.836
  202   1HD2  ASN  24          1HD2      ASN  24   3.071  -2.543  -8.127
  203   2HD2  ASN  24          2HD2      ASN  24   3.337  -2.952  -9.805
  204    H    ALA  25           H        ALA  25  -0.064  -5.320  -8.398
  205    HA   ALA  25           HA       ALA  25  -0.264  -8.210  -8.231
  206   1HB   ALA  25          1HB       ALA  25  -2.378  -7.396  -8.439
  207   2HB   ALA  25          2HB       ALA  25  -2.013  -7.651 -10.145
  208   3HB   ALA  25          3HB       ALA  25  -1.880  -6.038  -9.448
  209    H    LYS  26           H        LYS  26   2.040  -6.603  -9.562
  210    HA   LYS  26           HA       LYS  26   2.022  -8.063 -12.126
  211   1HB   LYS  26          2HB       LYS  26   2.863  -5.345 -11.402
  212   2HB   LYS  26          1HB       LYS  26   4.072  -6.230 -12.324
  213   1HG   LYS  26          2HG       LYS  26   2.311  -6.719 -14.020
  214   2HG   LYS  26          1HG       LYS  26   1.233  -5.643 -13.128
  215   1HD   LYS  26          2HD       LYS  26   2.065  -4.116 -14.585
  216   2HD   LYS  26          1HD       LYS  26   3.350  -4.024 -13.378
  217   1HE   LYS  26          2HE       LYS  26   4.333  -6.017 -14.821
  218   2HE   LYS  26          1HE       LYS  26   3.355  -5.262 -16.079
  219   1HZ   LYS  26          1HZ       LYS  26   5.766  -4.298 -14.772
  220   2HZ   LYS  26          2HZ       LYS  26   4.579  -3.132 -15.078
  221   3HZ   LYS  26          3HZ       LYS  26   5.213  -4.045 -16.352
  222    H    ALA  27           H        ALA  27   3.794  -7.221  -9.238
  223    HA   ALA  27           HA       ALA  27   5.892  -9.164  -9.900
  224   1HB   ALA  27          1HB       ALA  27   6.163  -6.623  -8.985
  225   2HB   ALA  27          2HB       ALA  27   7.360  -7.897  -8.754
  226   3HB   ALA  27          3HB       ALA  27   6.203  -7.533  -7.475
  227    H    GLY  28           H        GLY  28   3.044  -8.808  -8.108
  228   1HA   GLY  28          2HA       GLY  28   1.973 -10.218  -6.692
  229   2HA   GLY  28          1HA       GLY  28   3.279 -11.322  -6.985
  230    H    LEU  29           H        LEU  29   4.686  -8.616  -5.979
  231    HA   LEU  29           HA       LEU  29   4.699  -9.486  -3.169
  232   1HB   LEU  29          2HB       LEU  29   6.903  -8.140  -4.731
  233   2HB   LEU  29          1HB       LEU  29   6.981  -8.572  -3.033
  234    HG   LEU  29           HG       LEU  29   6.455 -10.706  -5.063
  235   1HD1  LEU  29          1HD1      LEU  29   9.263 -10.257  -4.313
  236   2HD1  LEU  29          2HD1      LEU  29   8.579  -9.092  -5.445
  237   3HD1  LEU  29          3HD1      LEU  29   8.566 -10.811  -5.834
  238   1HD2  LEU  29          1HD2      LEU  29   6.243 -11.330  -2.756
  239   2HD2  LEU  29          2HD2      LEU  29   7.800 -10.599  -2.367
  240   3HD2  LEU  29          3HD2      LEU  29   7.731 -12.034  -3.389
  241    H    CYS  30           H        CYS  30   5.259  -7.737  -1.591
  242    HA   CYS  30           HA       CYS  30   3.624  -5.435  -2.148
  243   1HB   CYS  30          2HB       CYS  30   4.882  -6.638   0.289
  244   2HB   CYS  30          1HB       CYS  30   4.312  -4.976   0.333
  245    H    GLN  31           H        GLN  31   4.422  -3.560  -2.870
  246    HA   GLN  31           HA       GLN  31   7.291  -3.043  -2.468
  247   1HB   GLN  31          2HB       GLN  31   5.458  -2.116  -4.677
  248   2HB   GLN  31          1HB       GLN  31   7.105  -1.549  -4.468
  249   1HG   GLN  31          2HG       GLN  31   8.014  -3.446  -5.270
  250   2HG   GLN  31          1HG       GLN  31   6.759  -4.471  -4.579
  251   1HE2  GLN  31          1HE2      GLN  31   7.204  -5.400  -6.822
  252   2HE2  GLN  31          2HE2      GLN  31   6.173  -4.837  -8.090
  253    H    THR  32           H        THR  32   7.777  -0.604  -2.685
  254    HA   THR  32           HA       THR  32   6.092   0.776  -0.722
  255    HB   THR  32           HB       THR  32   8.105   2.319  -0.552
  256    HG1  THR  32           1HG      THR  32   9.296   1.968  -2.303
  257   1HG2  THR  32          1HG2      THR  32   9.472   0.840   0.770
  258   2HG2  THR  32          2HG2      THR  32   8.660  -0.567   0.080
  259   3HG2  THR  32          3HG2      THR  32   7.764   0.558   1.105
  260    H    PHE  33           H        PHE  33   5.671   3.059  -0.952
  261    HA   PHE  33           HA       PHE  33   6.125   4.290  -3.523
  262   1HB   PHE  33          2HB       PHE  33   3.745   4.774  -3.980
  263   2HB   PHE  33          1HB       PHE  33   4.128   3.063  -4.079
  264    HD1  PHE  33           1HD      PHE  33   3.847   1.865  -1.636
  265    HD2  PHE  33           2HD      PHE  33   1.736   5.275  -3.056
  266    HE1  PHE  33           1HE      PHE  33   2.011   1.375  -0.076
  267    HE2  PHE  33           2HE      PHE  33  -0.106   4.790  -1.498
  268    HZ   PHE  33           HZ       PHE  33   0.031   2.833  -0.008
  269    H    VAL  34           H        VAL  34   5.335   6.516  -3.613
  270    HA   VAL  34           HA       VAL  34   5.849   7.834  -1.090
  271    HB   VAL  34           HB       VAL  34   5.447   9.069  -3.814
  272   1HG1  VAL  34          1HG1      VAL  34   6.310  11.048  -2.941
  273   2HG1  VAL  34          2HG1      VAL  34   6.989  10.243  -1.528
  274   3HG1  VAL  34          3HG1      VAL  34   5.246  10.469  -1.661
  275   1HG2  VAL  34          1HG2      VAL  34   7.307   7.409  -3.724
  276   2HG2  VAL  34          2HG2      VAL  34   8.052   8.388  -2.460
  277   3HG2  VAL  34          3HG2      VAL  34   7.828   9.056  -4.076
  278    H    TYR  35           H        TYR  35   3.776   7.133  -0.204
  279    HA   TYR  35           HA       TYR  35   1.303   8.191  -1.182
  280   1HB   TYR  35          2HB       TYR  35   1.117   6.241   0.108
  281   2HB   TYR  35          1HB       TYR  35   2.196   6.850   1.352
  282    HD1  TYR  35           1HD      TYR  35  -0.867   8.310  -0.120
  283    HD2  TYR  35           2HD      TYR  35   1.053   6.834   3.317
  284    HE1  TYR  35           1HE      TYR  35  -2.818   8.967   1.236
  285    HE2  TYR  35           2HE      TYR  35  -0.885   7.450   4.691
  286    HH   TYR  35           HH       TYR  35  -2.812   8.642   4.726
  287    H    GLY  36           H        GLY  36   0.073   9.976  -0.347
  288   1HA   GLY  36          2HA       GLY  36   1.754  11.912   1.094
  289   2HA   GLY  36          1HA       GLY  36   0.539  12.358  -0.082
  290    H    GLY  37           H        GLY  37  -0.145   9.976   2.427
  291   1HA   GLY  37          2HA       GLY  37  -1.569  10.068   4.214
  292   2HA   GLY  37          1HA       GLY  37  -1.036  11.710   4.396
  293    H    CYS  38           H        CYS  38  -2.588  10.881   1.460
  294    HA   CYS  38           HA       CYS  38  -5.019  12.250   2.415
  295   1HB   CYS  38          2HB       CYS  38  -3.384  12.704   0.095
  296   2HB   CYS  38          1HB       CYS  38  -5.018  12.289  -0.402
  297    H    ARG  39           H        ARG  39  -6.794  11.103   2.543
  298    HA   ARG  39           HA       ARG  39  -8.209   9.313   2.453
  299   1HB   ARG  39          2HB       ARG  39  -8.084  10.616  -0.006
  300   2HB   ARG  39          1HB       ARG  39  -8.002   8.912  -0.420
  301   1HG   ARG  39          2HG       ARG  39 -10.133  10.200   1.272
  302   2HG   ARG  39          1HG       ARG  39 -10.297   9.738  -0.424
  303   1HD   ARG  39          2HD       ARG  39 -11.214   7.899   0.585
  304   2HD   ARG  39          1HD       ARG  39  -9.528   7.394   0.483
  305    HE   ARG  39           HE       ARG  39  -9.349   7.565   2.773
  306   1HH1  ARG  39          1HH1      ARG  39 -12.398   8.907   1.728
  307   2HH1  ARG  39          2HH1      ARG  39 -13.050   8.990   3.329
  308   1HH2  ARG  39          1HH2      ARG  39 -10.202   7.685   4.877
  309   2HH2  ARG  39          2HH2      ARG  39 -11.803   8.297   5.119
  310    H    ALA  40           H        ALA  40  -5.921   8.286   3.298
  311    HA   ALA  40           HA       ALA  40  -4.497   6.426   1.878
  312   1HB   ALA  40          1HB       ALA  40  -5.251   6.725   4.704
  313   2HB   ALA  40          2HB       ALA  40  -3.671   6.456   3.970
  314   3HB   ALA  40          3HB       ALA  40  -4.769   5.099   4.222
  315    H    LYS  41           H        LYS  41  -4.990   4.624   0.771
  316    HA   LYS  41           HA       LYS  41  -7.680   3.529   1.033
  317   1HB   LYS  41          2HB       LYS  41  -5.522   3.223  -1.039
  318   2HB   LYS  41          1HB       LYS  41  -6.919   2.156  -1.005
  319   1HG   LYS  41          2HG       LYS  41  -7.491   5.046  -0.913
  320   2HG   LYS  41          1HG       LYS  41  -6.823   4.419  -2.420
  321   1HD   LYS  41          2HD       LYS  41  -8.622   2.962  -2.749
  322   2HD   LYS  41          1HD       LYS  41  -9.142   3.081  -1.067
  323   1HE   LYS  41          2HE       LYS  41 -10.675   4.332  -2.409
  324   2HE   LYS  41          1HE       LYS  41  -9.702   5.473  -1.485
  325   1HZ   LYS  41          1HZ       LYS  41  -9.256   4.734  -4.326
  326   2HZ   LYS  41          2HZ       LYS  41  -8.337   5.843  -3.439
  327   3HZ   LYS  41          3HZ       LYS  41  -9.961   6.173  -3.780
  328    H    ARG  42           H        ARG  42  -7.873   1.096   0.764
  329    HA   ARG  42           HA       ARG  42  -6.808  -0.162   3.004
  330   1HB   ARG  42          2HB       ARG  42  -8.156  -1.226   0.536
  331   2HB   ARG  42          1HB       ARG  42  -7.565  -2.316   1.794
  332   1HG   ARG  42          2HG       ARG  42  -8.967  -1.159   3.438
  333   2HG   ARG  42          1HG       ARG  42  -9.580  -0.104   2.163
  334   1HD   ARG  42          2HD       ARG  42  -9.808  -2.898   1.443
  335   2HD   ARG  42          1HD       ARG  42 -10.629  -2.552   2.965
  336    HE   ARG  42           HE       ARG  42 -11.212  -0.688   0.843
  337   1HH1  ARG  42          1HH1      ARG  42 -12.126  -3.690   2.372
  338   2HH1  ARG  42          2HH1      ARG  42 -13.758  -3.629   1.796
  339   1HH2  ARG  42          1HH2      ARG  42 -13.358  -0.608   0.085
  340   2HH2  ARG  42          2HH2      ARG  42 -14.457  -1.880   0.501
  341    H    ASN  43           H        ASN  43  -5.667  -0.257  -0.362
  342    HA   ASN  43           HA       ASN  43  -3.591  -2.133   0.383
  343   1HB   ASN  43          2HB       ASN  43  -4.894  -1.962  -1.913
  344   2HB   ASN  43          1HB       ASN  43  -3.626  -0.807  -2.284
  345   1HD2  ASN  43          1HD2      ASN  43  -3.678  -3.861  -0.541
  346   2HD2  ASN  43          2HD2      ASN  43  -2.433  -4.621  -1.465
  347    H    ASN  44           H        ASN  44  -3.206  -0.161   1.932
  348    HA   ASN  44           HA       ASN  44  -0.688   0.969   1.068
  349   1HB   ASN  44          2HB       ASN  44  -2.058   2.786   0.408
  350   2HB   ASN  44          1HB       ASN  44  -3.108   2.606   1.810
  351   1HD2  ASN  44          1HD2      ASN  44  -2.802   3.903   3.433
  352   2HD2  ASN  44          2HD2      ASN  44  -1.369   4.822   3.743
  353    H    PHE  45           H        PHE  45   0.158  -0.465   2.623
  354    HA   PHE  45           HA       PHE  45  -0.706  -0.207   5.387
  355   1HB   PHE  45          2HB       PHE  45   1.506  -1.953   4.293
  356   2HB   PHE  45          1HB       PHE  45   0.660  -2.127   5.829
  357    HD1  PHE  45           1HD      PHE  45   0.581  -2.772   2.271
  358    HD2  PHE  45           2HD      PHE  45  -1.692  -2.889   5.865
  359    HE1  PHE  45           1HE      PHE  45  -1.082  -4.208   1.165
  360    HE2  PHE  45           2HE      PHE  45  -3.358  -4.330   4.767
  361    HZ   PHE  45           HZ       PHE  45  -3.053  -4.987   2.413
  362    H    LYS  46           H        LYS  46   1.076  -0.170   7.072
  363    HA   LYS  46           HA       LYS  46   2.636   2.209   6.626
  364   1HB   LYS  46          2HB       LYS  46   1.442   1.063   8.838
  365   2HB   LYS  46          1HB       LYS  46   3.151   0.760   9.116
  366   1HG   LYS  46          2HG       LYS  46   3.439   3.268   8.563
  367   2HG   LYS  46          1HG       LYS  46   1.707   3.364   8.882
  368   1HD   LYS  46          2HD       LYS  46   2.033   3.277  11.085
  369   2HD   LYS  46          1HD       LYS  46   3.065   1.854  10.938
  370   1HE   LYS  46          2HE       LYS  46   4.255   4.417  10.089
  371   2HE   LYS  46          1HE       LYS  46   3.929   4.251  11.814
  372   1HZ   LYS  46          1HZ       LYS  46   6.163   3.502  11.207
  373   2HZ   LYS  46          2HZ       LYS  46   5.501   2.327  10.185
  374   3HZ   LYS  46          3HZ       LYS  46   5.238   2.241  11.854
  375    H    SER  47           H        SER  47   3.168  -1.213   6.600
  376    HA   SER  47           HA       SER  47   5.861  -0.829   5.665
  377   1HB   SER  47          2HB       SER  47   6.462  -2.669   7.587
  378   2HB   SER  47          1HB       SER  47   6.776  -0.946   7.730
  379    HG   SER  47           HG       SER  47   5.654  -1.594   9.541
  380    H    ALA  48           H        ALA  48   6.919  -2.932   5.146
  381    HA   ALA  48           HA       ALA  48   5.283  -4.531   3.559
  382   1HB   ALA  48          1HB       ALA  48   7.550  -6.056   4.367
  383   2HB   ALA  48          2HB       ALA  48   8.044  -4.375   4.180
  384   3HB   ALA  48          3HB       ALA  48   7.269  -5.221   2.841
  385    H    GLU  49           H        GLU  49   5.992  -4.677   6.953
  386    HA   GLU  49           HA       GLU  49   5.311  -7.391   7.383
  387   1HB   GLU  49          2HB       GLU  49   5.055  -6.720   9.764
  388   2HB   GLU  49          1HB       GLU  49   6.578  -6.203   9.054
  389   1HG   GLU  49          2HG       GLU  49   5.526  -3.953   8.689
  390   2HG   GLU  49          1HG       GLU  49   4.165  -4.518   9.652
  391    H    ASP  50           H        ASP  50   3.418  -4.401   7.829
  392    HA   ASP  50           HA       ASP  50   1.023  -5.692   8.550
  393   1HB   ASP  50          2HB       ASP  50   1.848  -2.987   7.799
  394   2HB   ASP  50          1HB       ASP  50   0.223  -3.381   7.240
  395    H    CYS  51           H        CYS  51   2.486  -4.881   5.475
  396    HA   CYS  51           HA       CYS  51   0.305  -5.410   3.773
  397   1HB   CYS  51          2HB       CYS  51   2.759  -4.432   3.375
  398   2HB   CYS  51          1HB       CYS  51   3.095  -6.102   2.944
  399    H    LEU  52           H        LEU  52   3.150  -7.437   4.483
  400    HA   LEU  52           HA       LEU  52   2.179  -9.776   3.307
  401   1HB   LEU  52          2HB       LEU  52   4.098  -9.446   5.618
  402   2HB   LEU  52          1HB       LEU  52   3.819 -10.959   4.779
  403    HG   LEU  52           HG       LEU  52   4.840  -8.479   3.403
  404   1HD1  LEU  52          1HD1      LEU  52   6.605 -10.784   4.045
  405   2HD1  LEU  52          2HD1      LEU  52   6.267  -9.604   5.310
  406   3HD1  LEU  52          3HD1      LEU  52   7.007  -9.085   3.796
  407   1HD2  LEU  52          1HD2      LEU  52   5.325  -9.887   1.583
  408   2HD2  LEU  52          2HD2      LEU  52   3.695 -10.331   2.092
  409   3HD2  LEU  52          3HD2      LEU  52   5.065 -11.348   2.538
  410    H    ARG  53           H        ARG  53   1.605  -8.390   6.458
  411    HA   ARG  53           HA       ARG  53   0.404 -10.706   7.603
  412   1HB   ARG  53          2HB       ARG  53   0.450  -7.788   8.298
  413   2HB   ARG  53          1HB       ARG  53  -0.659  -8.868   9.131
  414   1HG   ARG  53          2HG       ARG  53   1.951 -10.035   9.086
  415   2HG   ARG  53          1HG       ARG  53   2.049  -8.385   9.696
  416   1HD   ARG  53          2HD       ARG  53   1.386  -9.166  11.667
  417   2HD   ARG  53          1HD       ARG  53  -0.192  -9.469  10.943
  418    HE   ARG  53           HE       ARG  53   1.043 -11.699  10.277
  419   1HH1  ARG  53          1HH1      ARG  53   1.118  -9.994  13.327
  420   2HH1  ARG  53          2HH1      ARG  53   1.390 -11.426  14.259
  421   1HH2  ARG  53          1HH2      ARG  53   1.401 -13.577  11.507
  422   2HH2  ARG  53          2HH2      ARG  53   1.554 -13.458  13.227
  423    H    THR  54           H        THR  54  -0.667  -8.120   5.524
  424    HA   THR  54           HA       THR  54  -3.476  -8.731   5.906
  425    HB   THR  54           HB       THR  54  -2.134  -6.866   3.943
  426    HG1  THR  54           1HG      THR  54  -1.788  -5.832   5.747
  427   1HG2  THR  54          1HG2      THR  54  -4.779  -6.126   4.762
  428   2HG2  THR  54          2HG2      THR  54  -4.784  -7.724   4.012
  429   3HG2  THR  54          3HG2      THR  54  -4.117  -6.344   3.143
  430    H    CYS  55           H        CYS  55  -1.301  -8.757   3.025
  431    HA   CYS  55           HA       CYS  55  -2.940 -10.970   1.994
  432   1HB   CYS  55          2HB       CYS  55  -3.355  -8.810   0.845
  433   2HB   CYS  55          1HB       CYS  55  -1.654  -8.754   0.402
  434    H    GLY  56           H        GLY  56  -0.490 -11.152   3.531
  435   1HA   GLY  56          2HA       GLY  56   1.431 -12.082   1.488
  436   2HA   GLY  56          1HA       GLY  56   1.845 -11.663   3.144
  437    H    GLY  57           H        GLY  57   1.542 -13.172   4.788
  438   1HA   GLY  57          2HA       GLY  57   0.247 -15.692   4.281
  439   2HA   GLY  57          1HA       GLY  57   2.001 -15.813   4.287
  440    H    ALA  58           H        ALA  58   3.058 -15.926   6.189
  441    HA   ALA  58           HA       ALA  58   1.872 -15.019   8.649
  442   1HB   ALA  58          1HB       ALA  58   2.490 -17.931   8.666
  443   2HB   ALA  58          2HB       ALA  58   0.941 -17.396   8.017
  444   3HB   ALA  58          3HB       ALA  58   1.382 -17.005   9.678
  Start of MODEL   10
    1   1H    ARG   1          1HT       ARG   1  -4.708 -15.119   0.227
    2   2H    ARG   1          2HT       ARG   1  -6.418 -15.031   0.114
    3   3H    ARG   1          3HT       ARG   1  -5.590 -14.143   1.327
    4    HA   ARG   1           HA       ARG   1  -4.699 -12.675  -0.170
    5   1HB   ARG   1          2HB       ARG   1  -4.102 -14.543  -1.768
    6   2HB   ARG   1          1HB       ARG   1  -5.741 -14.434  -2.396
    7   1HG   ARG   1          2HG       ARG   1  -5.241 -11.990  -2.866
    8   2HG   ARG   1          1HG       ARG   1  -3.550 -12.390  -2.551
    9   1HD   ARG   1          2HD       ARG   1  -5.163 -13.992  -4.500
   10   2HD   ARG   1          1HD       ARG   1  -4.435 -12.461  -4.984
   11    HE   ARG   1           HE       ARG   1  -2.485 -14.060  -3.745
   12   1HH1  ARG   1          1HH1      ARG   1  -4.369 -13.920  -6.679
   13   2HH1  ARG   1          2HH1      ARG   1  -3.181 -14.747  -7.630
   14   1HH2  ARG   1          1HH2      ARG   1  -0.921 -15.147  -4.994
   15   2HH2  ARG   1          2HH2      ARG   1  -1.224 -15.444  -6.673
   16    HA   PRO   2           HA       PRO   2  -9.126 -11.493   0.313
   17   1HB   PRO   2          2HB       PRO   2  -7.828  -8.874   0.692
   18   2HB   PRO   2          1HB       PRO   2  -9.036  -9.684   1.696
   19   1HG   PRO   2          2HG       PRO   2  -6.462  -9.459   2.439
   20   2HG   PRO   2          1HG       PRO   2  -7.451 -10.870   2.863
   21   1HD   PRO   2          2HD       PRO   2  -5.309 -10.608   0.813
   22   2HD   PRO   2          1HD       PRO   2  -5.775 -12.014   1.791
   23    H    ASP   3           H        ASP   3 -10.471 -10.404  -1.084
   24    HA   ASP   3           HA       ASP   3  -9.696 -10.095  -3.729
   25   1HB   ASP   3          2HB       ASP   3 -12.036  -8.788  -2.329
   26   2HB   ASP   3          1HB       ASP   3 -11.861  -8.986  -4.070
   27    H    PHE   4           H        PHE   4 -10.119  -7.557  -1.248
   28    HA   PHE   4           HA       PHE   4  -9.704  -5.360  -2.855
   29   1HB   PHE   4          2HB       PHE   4  -9.214  -4.148  -0.847
   30   2HB   PHE   4          1HB       PHE   4 -10.487  -5.300  -0.510
   31    HD1  PHE   4           1HD      PHE   4 -10.322  -6.690   1.304
   32    HD2  PHE   4           2HD      PHE   4  -6.789  -4.866  -0.216
   33    HE1  PHE   4           1HE      PHE   4  -9.055  -7.562   3.218
   34    HE2  PHE   4           2HE      PHE   4  -5.509  -5.744   1.708
   35    HZ   PHE   4           HZ       PHE   4  -6.652  -7.097   3.417
   36    H    CYS   5           H        CYS   5  -7.356  -7.695  -1.794
   37    HA   CYS   5           HA       CYS   5  -5.043  -6.126  -1.873
   38   1HB   CYS   5          2HB       CYS   5  -5.552  -9.038  -2.365
   39   2HB   CYS   5          1HB       CYS   5  -3.954  -8.363  -2.651
   40    H    LEU   6           H        LEU   6  -7.123  -7.110  -4.418
   41    HA   LEU   6           HA       LEU   6  -5.135  -6.736  -6.496
   42   1HB   LEU   6          2HB       LEU   6  -8.099  -7.085  -6.880
   43   2HB   LEU   6          1HB       LEU   6  -6.817  -7.406  -8.032
   44    HG   LEU   6           HG       LEU   6  -6.819  -8.974  -5.505
   45   1HD1  LEU   6          1HD1      LEU   6  -9.173  -8.790  -6.895
   46   2HD1  LEU   6          2HD1      LEU   6  -8.683 -10.142  -5.874
   47   3HD1  LEU   6          3HD1      LEU   6  -8.407 -10.207  -7.614
   48   1HD2  LEU   6          1HD2      LEU   6  -5.530 -10.407  -6.675
   49   2HD2  LEU   6          2HD2      LEU   6  -5.255  -8.995  -7.694
   50   3HD2  LEU   6          3HD2      LEU   6  -6.457 -10.198  -8.161
   51    H    GLU   7           H        GLU   7  -6.086  -4.481  -4.666
   52    HA   GLU   7           HA       GLU   7  -7.219  -2.683  -6.680
   53   1HB   GLU   7          2HB       GLU   7  -7.861  -1.236  -4.918
   54   2HB   GLU   7          1HB       GLU   7  -8.253  -2.861  -4.379
   55   1HG   GLU   7          2HG       GLU   7  -6.954  -2.667  -2.592
   56   2HG   GLU   7          1HG       GLU   7  -5.590  -2.105  -3.554
   57    HA   PRO   8           HA       PRO   8  -3.373  -0.604  -7.257
   58   1HB   PRO   8          2HB       PRO   8  -4.184   1.844  -8.026
   59   2HB   PRO   8          1HB       PRO   8  -4.433   0.416  -9.037
   60   1HG   PRO   8          2HG       PRO   8  -6.368   1.828  -7.245
   61   2HG   PRO   8          1HG       PRO   8  -6.624   1.167  -8.871
   62   1HD   PRO   8          2HD       PRO   8  -7.376  -0.111  -6.567
   63   2HD   PRO   8          1HD       PRO   8  -6.988  -0.952  -8.081
   64    HA   PRO   9           HA       PRO   9  -2.292   1.506  -3.507
   65   1HB   PRO   9          2HB       PRO   9  -0.073   2.840  -4.338
   66   2HB   PRO   9          1HB       PRO   9  -0.097   1.101  -4.023
   67   1HG   PRO   9          2HG       PRO   9  -0.340   2.551  -6.638
   68   2HG   PRO   9          1HG       PRO   9   0.649   1.130  -6.236
   69   1HD   PRO   9          2HD       PRO   9  -1.696   0.891  -7.520
   70   2HD   PRO   9          1HD       PRO   9  -1.161  -0.312  -6.320
   71    H    TYR  10           H        TYR  10  -3.241   3.245  -2.659
   72    HA   TYR  10           HA       TYR  10  -3.837   5.541  -4.373
   73   1HB   TYR  10          2HB       TYR  10  -5.549   4.331  -2.865
   74   2HB   TYR  10          1HB       TYR  10  -4.784   5.200  -1.538
   75    HD1  TYR  10           1HD      TYR  10  -5.701   7.227  -0.930
   76    HD2  TYR  10           2HD      TYR  10  -6.181   5.888  -4.940
   77    HE1  TYR  10           1HE      TYR  10  -7.080   9.204  -1.420
   78    HE2  TYR  10           2HE      TYR  10  -7.563   7.859  -5.440
   79    HH   TYR  10           HH       TYR  10  -7.815  10.522  -3.287
   80    H    THR  11           H        THR  11  -2.644   7.304  -4.312
   81    HA   THR  11           HA       THR  11  -0.876   7.778  -1.994
   82    HB   THR  11           HB       THR  11  -0.679   8.711  -4.873
   83    HG1  THR  11           1HG      THR  11   0.908   7.236  -5.052
   84   1HG2  THR  11          1HG2      THR  11   1.572   8.974  -2.963
   85   2HG2  THR  11          2HG2      THR  11   0.316  10.209  -2.967
   86   3HG2  THR  11          3HG2      THR  11   1.230   9.873  -4.437
   87    H    GLY  12           H        GLY  12  -3.522   9.066  -3.821
   88   1HA   GLY  12          2HA       GLY  12  -4.880  10.840  -3.464
   89   2HA   GLY  12          1HA       GLY  12  -4.043  11.043  -1.941
   90    HA   PRO  13           HA       PRO  13  -2.705  14.329  -5.062
   91   1HB   PRO  13          2HB       PRO  13  -4.520  16.269  -4.846
   92   2HB   PRO  13          1HB       PRO  13  -4.814  14.856  -5.866
   93   1HG   PRO  13          2HG       PRO  13  -5.855  15.471  -3.133
   94   2HG   PRO  13          1HG       PRO  13  -6.690  14.730  -4.510
   95   1HD   PRO  13          2HD       PRO  13  -5.585  13.345  -2.369
   96   2HD   PRO  13          1HD       PRO  13  -5.971  12.643  -3.955
   97    H    CYS  14           H        CYS  14  -2.797  13.933  -1.873
   98    HA   CYS  14           HA       CYS  14  -2.462  16.561  -0.849
   99   1HB   CYS  14          2HB       CYS  14  -2.016  13.797   0.171
  100   2HB   CYS  14          1HB       CYS  14  -1.241  15.136   1.021
  101    H    ARG  15           H        ARG  15  -0.351  17.013   0.424
  102    HA   ARG  15           HA       ARG  15   1.878  16.716  -1.483
  103   1HB   ARG  15          2HB       ARG  15   0.661  19.034  -0.787
  104   2HB   ARG  15          1HB       ARG  15   1.947  18.977   0.411
  105   1HG   ARG  15          2HG       ARG  15   3.518  18.562  -1.562
  106   2HG   ARG  15          1HG       ARG  15   2.172  19.088  -2.573
  107   1HD   ARG  15          2HD       ARG  15   3.196  21.096  -2.261
  108   2HD   ARG  15          1HD       ARG  15   2.142  21.095  -0.851
  109    HE   ARG  15           HE       ARG  15   5.009  20.402  -0.803
  110   1HH1  ARG  15          1HH1      ARG  15   2.146  21.653   0.778
  111   2HH1  ARG  15          2HH1      ARG  15   2.992  22.083   2.223
  112   1HH2  ARG  15          1HH2      ARG  15   6.105  20.970   1.101
  113   2HH2  ARG  15          2HH2      ARG  15   5.232  21.697   2.409
  114    H    VAL  16           H        VAL  16   1.737  14.698   0.283
  115    HA   VAL  16           HA       VAL  16   3.772  15.361   2.317
  116    HB   VAL  16           HB       VAL  16   2.125  12.872   2.534
  117   1HG1  VAL  16          1HG1      VAL  16   2.447  13.935   5.031
  118   2HG1  VAL  16          2HG1      VAL  16   3.916  14.464   4.209
  119   3HG1  VAL  16          3HG1      VAL  16   3.517  12.749   4.284
  120   1HG2  VAL  16          1HG2      VAL  16   0.539  14.797   2.183
  121   2HG2  VAL  16          2HG2      VAL  16   1.194  15.511   3.658
  122   3HG2  VAL  16          3HG2      VAL  16   0.363  13.954   3.723
  123    H    ARG  17           H        ARG  17   4.961  13.143   2.951
  124    HA   ARG  17           HA       ARG  17   5.613  11.621   0.535
  125   1HB   ARG  17          2HB       ARG  17   7.238  13.507   0.739
  126   2HB   ARG  17          1HB       ARG  17   7.717  12.879   2.310
  127   1HG   ARG  17          2HG       ARG  17   8.052  10.674   0.799
  128   2HG   ARG  17          1HG       ARG  17   8.382  11.932  -0.396
  129   1HD   ARG  17          2HD       ARG  17  10.183  12.780   0.818
  130   2HD   ARG  17          1HD       ARG  17   9.659  12.006   2.314
  131    HE   ARG  17           HE       ARG  17  10.254  10.033   0.398
  132   1HH1  ARG  17          1HH1      ARG  17  11.847  12.397   2.412
  133   2HH1  ARG  17          2HH1      ARG  17  13.322  11.497   2.517
  134   1HH2  ARG  17          1HH2      ARG  17  12.195   8.849   0.536
  135   2HH2  ARG  17          2HH2      ARG  17  13.520   9.484   1.452
  136    H    ILE  18           H        ILE  18   4.335  10.053   1.721
  137    HA   ILE  18           HA       ILE  18   5.702   8.841   4.022
  138    HB   ILE  18           HB       ILE  18   2.857   8.561   3.043
  139   1HG1  ILE  18          2HG1      ILE  18   4.076   9.922   5.449
  140   2HG1  ILE  18          1HG1      ILE  18   3.194  10.677   4.127
  141   1HG2  ILE  18          1HG2      ILE  18   4.128   6.558   4.262
  142   2HG2  ILE  18          2HG2      ILE  18   2.425   6.918   4.530
  143   3HG2  ILE  18          3HG2      ILE  18   3.639   7.481   5.681
  144   1HD1  ILE  18          1HD1      ILE  18   1.501   8.727   5.279
  145   2HD1  ILE  18          2HD1      ILE  18   1.323  10.483   5.282
  146   3HD1  ILE  18          3HD1      ILE  18   2.201   9.683   6.586
  147    H    ILE  19           H        ILE  19   6.919   7.117   3.574
  148    HA   ILE  19           HA       ILE  19   6.659   5.687   1.097
  149    HB   ILE  19           HB       ILE  19   8.397   5.123   3.507
  150   1HG1  ILE  19          2HG1      ILE  19   8.869   7.307   2.499
  151   2HG1  ILE  19          1HG1      ILE  19  10.196   6.183   2.225
  152   1HG2  ILE  19          1HG2      ILE  19   7.824   3.391   1.479
  153   2HG2  ILE  19          2HG2      ILE  19   9.299   3.365   2.445
  154   3HG2  ILE  19          3HG2      ILE  19   9.284   4.179   0.881
  155   1HD1  ILE  19          1HD1      ILE  19   8.523   5.891   0.018
  156   2HD1  ILE  19          2HD1      ILE  19  10.087   6.703   0.081
  157   3HD1  ILE  19          3HD1      ILE  19   8.604   7.625   0.326
  158    H    ARG  20           H        ARG  20   4.532   4.855   1.294
  159    HA   ARG  20           HA       ARG  20   4.034   2.944   3.444
  160   1HB   ARG  20          2HB       ARG  20   2.254   4.018   1.258
  161   2HB   ARG  20          1HB       ARG  20   1.744   2.792   2.409
  162   1HG   ARG  20          2HG       ARG  20   2.576   5.613   3.044
  163   2HG   ARG  20          1HG       ARG  20   0.940   4.958   3.086
  164   1HD   ARG  20          2HD       ARG  20   3.042   3.642   4.735
  165   2HD   ARG  20          1HD       ARG  20   2.396   5.180   5.283
  166    HE   ARG  20           HE       ARG  20   0.967   2.653   5.085
  167   1HH1  ARG  20          1HH1      ARG  20   0.852   6.077   5.773
  168   2HH1  ARG  20          2HH1      ARG  20  -0.629   5.973   6.660
  169   1HH2  ARG  20          1HH2      ARG  20  -0.982   2.523   6.255
  170   2HH2  ARG  20          2HH2      ARG  20  -1.670   3.960   6.933
  171    H    TYR  21           H        TYR  21   2.803   0.906   2.750
  172    HA   TYR  21           HA       TYR  21   4.255  -0.333   0.506
  173   1HB   TYR  21          2HB       TYR  21   3.300  -1.493   3.123
  174   2HB   TYR  21          1HB       TYR  21   3.955  -2.464   1.807
  175    HD1  TYR  21           1HD      TYR  21   6.349  -2.360   1.275
  176    HD2  TYR  21           2HD      TYR  21   4.709  -0.143   4.513
  177    HE1  TYR  21           1HE      TYR  21   8.610  -2.020   2.179
  178    HE2  TYR  21           2HE      TYR  21   6.962   0.208   5.425
  179    HH   TYR  21           HH       TYR  21   9.243   0.175   4.772
  180    H    PHE  22           H        PHE  22   3.126  -1.907  -0.736
  181    HA   PHE  22           HA       PHE  22   0.316  -2.348  -0.263
  182   1HB   PHE  22          2HB       PHE  22  -0.579  -1.392  -2.195
  183   2HB   PHE  22          1HB       PHE  22   0.512  -0.170  -1.577
  184    HD1  PHE  22           1HD      PHE  22   2.816   0.030  -2.647
  185    HD2  PHE  22           2HD      PHE  22  -0.367  -2.226  -4.353
  186    HE1  PHE  22           1HE      PHE  22   3.947   0.092  -4.832
  187    HE2  PHE  22           2HE      PHE  22   0.759  -2.167  -6.542
  188    HZ   PHE  22           HZ       PHE  22   2.920  -1.011  -6.780
  189    H    TYR  23           H        TYR  23  -0.594  -3.690  -2.161
  190    HA   TYR  23           HA       TYR  23   1.363  -5.829  -2.671
  191   1HB   TYR  23          2HB       TYR  23  -0.737  -6.419  -1.520
  192   2HB   TYR  23          1HB       TYR  23  -1.654  -5.861  -2.922
  193    HD1  TYR  23           1HD      TYR  23  -2.312  -7.441  -4.472
  194    HD2  TYR  23           2HD      TYR  23   1.135  -8.211  -2.102
  195    HE1  TYR  23           1HE      TYR  23  -2.111  -9.665  -5.500
  196    HE2  TYR  23           2HE      TYR  23   1.345 -10.438  -3.121
  197    HH   TYR  23           HH       TYR  23   0.593 -11.502  -5.391
  198    H    ASN  24           H        ASN  24   2.451  -5.161  -4.507
  199    HA   ASN  24           HA       ASN  24   1.196  -4.071  -6.798
  200   1HB   ASN  24          2HB       ASN  24   3.584  -3.777  -6.218
  201   2HB   ASN  24          1HB       ASN  24   3.861  -5.491  -6.555
  202   1HD2  ASN  24          1HD2      ASN  24   3.536  -2.353  -7.864
  203   2HD2  ASN  24          2HD2      ASN  24   3.762  -2.782  -9.542
  204    H    ALA  25           H        ALA  25  -0.005  -5.079  -8.282
  205    HA   ALA  25           HA       ALA  25  -0.217  -7.965  -8.257
  206   1HB   ALA  25          1HB       ALA  25  -1.727  -5.765  -9.610
  207   2HB   ALA  25          2HB       ALA  25  -2.295  -6.954  -8.439
  208   3HB   ALA  25          3HB       ALA  25  -1.949  -7.445 -10.096
  209    H    LYS  26           H        LYS  26   2.143  -6.325  -9.458
  210    HA   LYS  26           HA       LYS  26   2.181  -7.637 -12.099
  211   1HB   LYS  26          2HB       LYS  26   2.918  -4.994 -11.248
  212   2HB   LYS  26          1HB       LYS  26   4.353  -5.823 -11.837
  213   1HG   LYS  26          2HG       LYS  26   2.450  -6.425 -13.736
  214   2HG   LYS  26          1HG       LYS  26   2.082  -4.757 -13.297
  215   1HD   LYS  26          2HD       LYS  26   4.706  -4.501 -13.521
  216   2HD   LYS  26          1HD       LYS  26   4.509  -5.896 -14.584
  217   1HE   LYS  26          2HE       LYS  26   2.569  -4.433 -15.592
  218   2HE   LYS  26          1HE       LYS  26   3.498  -3.110 -14.888
  219   1HZ   LYS  26          1HZ       LYS  26   5.211  -3.423 -16.327
  220   2HZ   LYS  26          2HZ       LYS  26   3.950  -3.970 -17.313
  221   3HZ   LYS  26          3HZ       LYS  26   4.933  -5.083 -16.503
  222    H    ALA  27           H        ALA  27   3.977  -6.977  -9.154
  223    HA   ALA  27           HA       ALA  27   5.928  -9.057  -9.839
  224   1HB   ALA  27          1HB       ALA  27   5.973  -6.784  -7.874
  225   2HB   ALA  27          2HB       ALA  27   7.066  -7.101  -9.221
  226   3HB   ALA  27          3HB       ALA  27   7.124  -8.118  -7.782
  227    H    GLY  28           H        GLY  28   3.058  -8.667  -8.176
  228   1HA   GLY  28          2HA       GLY  28   1.900 -10.005  -6.766
  229   2HA   GLY  28          1HA       GLY  28   3.137 -11.178  -7.079
  230    H    LEU  29           H        LEU  29   4.571  -8.494  -5.950
  231    HA   LEU  29           HA       LEU  29   4.585  -9.510  -3.189
  232   1HB   LEU  29          2HB       LEU  29   6.810  -8.069  -4.633
  233   2HB   LEU  29          1HB       LEU  29   6.872  -8.673  -2.988
  234    HG   LEU  29           HG       LEU  29   6.613 -10.385  -5.463
  235   1HD1  LEU  29          1HD1      LEU  29   8.799  -9.728  -5.571
  236   2HD1  LEU  29          2HD1      LEU  29   8.943 -11.115  -4.492
  237   3HD1  LEU  29          3HD1      LEU  29   8.928  -9.481  -3.830
  238   1HD2  LEU  29          1HD2      LEU  29   7.205 -11.299  -2.665
  239   2HD2  LEU  29          2HD2      LEU  29   6.743 -12.266  -4.065
  240   3HD2  LEU  29          3HD2      LEU  29   5.561 -11.209  -3.295
  241    H    CYS  30           H        CYS  30   5.333  -7.760  -1.589
  242    HA   CYS  30           HA       CYS  30   3.600  -5.486  -1.982
  243   1HB   CYS  30          2HB       CYS  30   4.939  -6.801   0.318
  244   2HB   CYS  30          1HB       CYS  30   4.596  -5.081   0.465
  245    H    GLN  31           H        GLN  31   4.291  -3.594  -2.719
  246    HA   GLN  31           HA       GLN  31   7.155  -2.963  -2.468
  247   1HB   GLN  31          2HB       GLN  31   5.272  -1.909  -4.577
  248   2HB   GLN  31          1HB       GLN  31   7.017  -1.715  -4.521
  249   1HG   GLN  31          2HG       GLN  31   6.237  -4.503  -4.479
  250   2HG   GLN  31          1HG       GLN  31   5.610  -3.658  -5.892
  251   1HE2  GLN  31          1HE2      GLN  31   7.309  -5.568  -6.440
  252   2HE2  GLN  31          2HE2      GLN  31   8.870  -4.960  -6.861
  253    H    THR  32           H        THR  32   7.613  -0.577  -2.522
  254    HA   THR  32           HA       THR  32   5.743   0.766  -0.708
  255    HB   THR  32           HB       THR  32   7.603   2.101   0.034
  256    HG1  THR  32           1HG      THR  32   9.489   2.179  -0.999
  257   1HG2  THR  32          1HG2      THR  32   8.222   0.453   1.360
  258   2HG2  THR  32          2HG2      THR  32   9.325  -0.108   0.106
  259   3HG2  THR  32          3HG2      THR  32   7.683  -0.746   0.186
  260    H    PHE  33           H        PHE  33   5.642   3.174  -0.877
  261    HA   PHE  33           HA       PHE  33   6.250   4.381  -3.404
  262   1HB   PHE  33          2HB       PHE  33   3.897   4.960  -3.987
  263   2HB   PHE  33          1HB       PHE  33   4.263   3.249  -4.140
  264    HD1  PHE  33           1HD      PHE  33   1.821   5.427  -3.197
  265    HD2  PHE  33           2HD      PHE  33   3.827   1.969  -1.741
  266    HE1  PHE  33           1HE      PHE  33  -0.115   4.908  -1.772
  267    HE2  PHE  33           2HE      PHE  33   1.897   1.446  -0.313
  268    HZ   PHE  33           HZ       PHE  33  -0.078   2.914  -0.327
  269    H    VAL  34           H        VAL  34   5.519   6.645  -3.511
  270    HA   VAL  34           HA       VAL  34   5.914   7.902  -0.938
  271    HB   VAL  34           HB       VAL  34   5.626   9.210  -3.643
  272   1HG1  VAL  34          1HG1      VAL  34   5.283  10.737  -1.781
  273   2HG1  VAL  34          2HG1      VAL  34   6.818  11.077  -2.581
  274   3HG1  VAL  34          3HG1      VAL  34   6.797  10.208  -1.047
  275   1HG2  VAL  34          1HG2      VAL  34   7.973   9.139  -3.891
  276   2HG2  VAL  34          2HG2      VAL  34   7.487   7.505  -3.439
  277   3HG2  VAL  34          3HG2      VAL  34   8.208   8.574  -2.237
  278    H    TYR  35           H        TYR  35   3.793   7.146  -0.198
  279    HA   TYR  35           HA       TYR  35   1.362   8.141  -1.252
  280   1HB   TYR  35          2HB       TYR  35   1.194   6.245   0.120
  281   2HB   TYR  35          1HB       TYR  35   2.201   6.951   1.376
  282    HD1  TYR  35           1HD      TYR  35  -0.772   8.352  -0.290
  283    HD2  TYR  35           2HD      TYR  35   0.916   6.883   3.266
  284    HE1  TYR  35           1HE      TYR  35  -2.790   9.054   0.937
  285    HE2  TYR  35           2HE      TYR  35  -1.082   7.549   4.525
  286    HH   TYR  35           HH       TYR  35  -3.719   9.306   2.959
  287    H    GLY  36           H        GLY  36   0.146   9.992  -0.723
  288   1HA   GLY  36          2HA       GLY  36   1.697  12.041   0.686
  289   2HA   GLY  36          1HA       GLY  36   0.452  12.363  -0.497
  290    H    GLY  37           H        GLY  37  -0.215  10.082   2.088
  291   1HA   GLY  37          2HA       GLY  37  -1.640  10.237   3.878
  292   2HA   GLY  37          1HA       GLY  37  -1.073  11.872   4.020
  293    H    CYS  38           H        CYS  38  -2.684  10.931   1.125
  294    HA   CYS  38           HA       CYS  38  -5.024  12.483   2.003
  295   1HB   CYS  38          2HB       CYS  38  -3.460  12.604  -0.388
  296   2HB   CYS  38          1HB       CYS  38  -5.103  12.135  -0.810
  297    H    ARG  39           H        ARG  39  -6.555  11.180   2.706
  298    HA   ARG  39           HA       ARG  39  -7.981   9.413   2.908
  299   1HB   ARG  39          2HB       ARG  39  -8.457  10.718   0.538
  300   2HB   ARG  39          1HB       ARG  39  -8.334   9.044   0.022
  301   1HG   ARG  39          2HG       ARG  39  -9.975   9.408   2.406
  302   2HG   ARG  39          1HG       ARG  39 -10.585  10.255   0.985
  303   1HD   ARG  39          2HD       ARG  39 -11.578   8.125   0.921
  304   2HD   ARG  39          1HD       ARG  39 -10.282   8.073  -0.270
  305    HE   ARG  39           HE       ARG  39  -8.954   6.930   1.524
  306   1HH1  ARG  39          1HH1      ARG  39 -12.446   6.735   1.477
  307   2HH1  ARG  39          2HH1      ARG  39 -12.488   5.233   2.332
  308   1HH2  ARG  39          1HH2      ARG  39  -9.022   4.959   2.641
  309   2HH2  ARG  39          2HH2      ARG  39 -10.552   4.225   2.992
  310    H    ALA  40           H        ALA  40  -5.642   8.352   3.315
  311    HA   ALA  40           HA       ALA  40  -4.542   6.487   1.611
  312   1HB   ALA  40          1HB       ALA  40  -4.402   7.069   4.387
  313   2HB   ALA  40          2HB       ALA  40  -3.251   6.180   3.391
  314   3HB   ALA  40          3HB       ALA  40  -4.562   5.322   4.200
  315    H    LYS  41           H        LYS  41  -5.065   4.500   0.869
  316    HA   LYS  41           HA       LYS  41  -7.748   3.532   1.451
  317   1HB   LYS  41          2HB       LYS  41  -5.713   2.702  -0.620
  318   2HB   LYS  41          1HB       LYS  41  -7.286   1.942  -0.436
  319   1HG   LYS  41          2HG       LYS  41  -6.873   4.862  -1.031
  320   2HG   LYS  41          1HG       LYS  41  -7.177   3.622  -2.250
  321   1HD   LYS  41          2HD       LYS  41  -9.275   3.070  -0.881
  322   2HD   LYS  41          1HD       LYS  41  -9.009   4.628  -0.095
  323   1HE   LYS  41          2HE       LYS  41 -10.435   5.208  -1.813
  324   2HE   LYS  41          1HE       LYS  41  -8.856   5.525  -2.534
  325   1HZ   LYS  41          1HZ       LYS  41  -9.181   3.006  -3.252
  326   2HZ   LYS  41          2HZ       LYS  41  -9.749   4.296  -4.187
  327   3HZ   LYS  41          3HZ       LYS  41 -10.810   3.458  -3.170
  328    H    ARG  42           H        ARG  42  -7.735   0.917   1.168
  329    HA   ARG  42           HA       ARG  42  -6.742  -0.054   3.626
  330   1HB   ARG  42          2HB       ARG  42  -7.934  -1.421   1.216
  331   2HB   ARG  42          1HB       ARG  42  -7.414  -2.324   2.639
  332   1HG   ARG  42          2HG       ARG  42  -9.283  -1.827   3.720
  333   2HG   ARG  42          1HG       ARG  42  -9.080  -0.103   3.402
  334   1HD   ARG  42          2HD       ARG  42  -9.904  -1.557   1.032
  335   2HD   ARG  42          1HD       ARG  42 -11.042  -1.768   2.362
  336    HE   ARG  42           HE       ARG  42 -10.563   0.916   2.301
  337   1HH1  ARG  42          1HH1      ARG  42 -11.666  -1.428  -0.038
  338   2HH1  ARG  42          2HH1      ARG  42 -12.625  -0.284  -0.916
  339   1HH2  ARG  42          1HH2      ARG  42 -11.824   2.420   1.147
  340   2HH2  ARG  42          2HH2      ARG  42 -12.715   1.901  -0.243
  341    H    ASN  43           H        ASN  43  -5.501  -0.208   0.337
  342    HA   ASN  43           HA       ASN  43  -3.378  -2.017   1.127
  343   1HB   ASN  43          2HB       ASN  43  -4.688  -1.778  -1.205
  344   2HB   ASN  43          1HB       ASN  43  -3.328  -0.713  -1.538
  345   1HD2  ASN  43          1HD2      ASN  43  -3.596  -2.862  -3.075
  346   2HD2  ASN  43          2HD2      ASN  43  -2.410  -4.059  -2.697
  347    H    ASN  44           H        ASN  44  -2.921  -0.157   2.718
  348    HA   ASN  44           HA       ASN  44  -0.547   1.204   1.728
  349   1HB   ASN  44          2HB       ASN  44  -2.806   2.692   3.089
  350   2HB   ASN  44          1HB       ASN  44  -1.227   3.369   2.700
  351   1HD2  ASN  44          1HD2      ASN  44  -1.244   4.589   0.978
  352   2HD2  ASN  44          2HD2      ASN  44  -2.243   4.369  -0.423
  353    H    PHE  45           H        PHE  45   0.396  -0.453   3.112
  354    HA   PHE  45           HA       PHE  45  -0.053  -0.156   5.981
  355   1HB   PHE  45          2HB       PHE  45   1.926  -2.045   4.727
  356   2HB   PHE  45          1HB       PHE  45   1.063  -2.204   6.255
  357    HD1  PHE  45           1HD      PHE  45  -1.253  -2.938   6.307
  358    HD2  PHE  45           2HD      PHE  45   0.879  -2.623   2.640
  359    HE1  PHE  45           1HE      PHE  45  -3.011  -4.235   5.177
  360    HE2  PHE  45           2HE      PHE  45  -0.871  -3.926   1.504
  361    HZ   PHE  45           HZ       PHE  45  -2.821  -4.733   2.773
  362    H    LYS  46           H        LYS  46   1.749   0.074   7.450
  363    HA   LYS  46           HA       LYS  46   3.682   2.012   6.447
  364   1HB   LYS  46          2HB       LYS  46   2.805   1.178   9.204
  365   2HB   LYS  46          1HB       LYS  46   4.227   2.182   8.954
  366   1HG   LYS  46          2HG       LYS  46   2.862   3.873   7.860
  367   2HG   LYS  46          1HG       LYS  46   1.431   2.861   8.066
  368   1HD   LYS  46          2HD       LYS  46   2.596   3.065  10.609
  369   2HD   LYS  46          1HD       LYS  46   2.661   4.688   9.920
  370   1HE   LYS  46          2HE       LYS  46   0.253   4.526   9.400
  371   2HE   LYS  46          1HE       LYS  46   0.214   2.943  10.174
  372   1HZ   LYS  46          1HZ       LYS  46   1.215   5.267  11.672
  373   2HZ   LYS  46          2HZ       LYS  46   0.489   3.853  12.250
  374   3HZ   LYS  46          3HZ       LYS  46  -0.453   5.043  11.504
  375    H    SER  47           H        SER  47   3.539  -1.314   7.104
  376    HA   SER  47           HA       SER  47   6.447  -1.466   6.902
  377   1HB   SER  47          2HB       SER  47   5.887  -3.505   8.698
  378   2HB   SER  47          1HB       SER  47   6.676  -1.976   9.070
  379    HG   SER  47           HG       SER  47   3.910  -2.576   9.259
  380    H    ALA  48           H        ALA  48   7.251  -3.406   6.103
  381    HA   ALA  48           HA       ALA  48   5.717  -4.642   4.119
  382   1HB   ALA  48          1HB       ALA  48   7.958  -4.823   3.692
  383   2HB   ALA  48          2HB       ALA  48   7.641  -6.431   4.345
  384   3HB   ALA  48          3HB       ALA  48   8.364  -5.189   5.369
  385    H    GLU  49           H        GLU  49   6.256  -5.450   7.481
  386    HA   GLU  49           HA       GLU  49   5.320  -8.109   7.409
  387   1HB   GLU  49          2HB       GLU  49   5.472  -6.066   9.622
  388   2HB   GLU  49          1HB       GLU  49   4.861  -7.692   9.889
  389   1HG   GLU  49          2HG       GLU  49   7.057  -8.528   8.958
  390   2HG   GLU  49          1HG       GLU  49   7.628  -6.864   9.075
  391    H    ASP  50           H        ASP  50   3.647  -5.075   8.267
  392    HA   ASP  50           HA       ASP  50   1.122  -6.194   8.718
  393   1HB   ASP  50          2HB       ASP  50   1.952  -3.454   7.751
  394   2HB   ASP  50          1HB       ASP  50   0.272  -3.877   8.068
  395    H    CYS  51           H        CYS  51   2.710  -5.095   5.781
  396    HA   CYS  51           HA       CYS  51   0.568  -5.326   3.984
  397   1HB   CYS  51          2HB       CYS  51   3.082  -4.475   3.745
  398   2HB   CYS  51          1HB       CYS  51   3.338  -6.116   3.166
  399    H    LEU  52           H        LEU  52   3.256  -7.597   4.512
  400    HA   LEU  52           HA       LEU  52   2.213  -9.759   3.108
  401   1HB   LEU  52          2HB       LEU  52   4.048  -9.678   5.501
  402   2HB   LEU  52          1HB       LEU  52   3.669 -11.158   4.643
  403    HG   LEU  52           HG       LEU  52   4.990  -8.747   3.396
  404   1HD1  LEU  52          1HD1      LEU  52   6.523  -9.677   4.954
  405   2HD1  LEU  52          2HD1      LEU  52   6.994 -10.254   3.355
  406   3HD1  LEU  52          3HD1      LEU  52   6.128 -11.323   4.459
  407   1HD2  LEU  52          1HD2      LEU  52   3.609 -10.832   2.194
  408   2HD2  LEU  52          2HD2      LEU  52   5.303 -11.301   2.065
  409   3HD2  LEU  52          3HD2      LEU  52   4.767  -9.749   1.420
  410    H    ARG  53           H        ARG  53   1.448  -8.564   6.284
  411    HA   ARG  53           HA       ARG  53   0.106 -10.916   7.189
  412   1HB   ARG  53          2HB       ARG  53   0.892  -8.501   8.336
  413   2HB   ARG  53          1HB       ARG  53  -0.862  -8.437   8.369
  414   1HG   ARG  53          2HG       ARG  53  -0.718 -10.795   9.387
  415   2HG   ARG  53          1HG       ARG  53   0.974 -10.396   9.690
  416   1HD   ARG  53          2HD       ARG  53  -0.291  -8.164  10.606
  417   2HD   ARG  53          1HD       ARG  53  -1.463  -9.419  10.999
  418    HE   ARG  53           HE       ARG  53   1.140  -9.029  12.183
  419   1HH1  ARG  53          1HH1      ARG  53  -1.488 -11.266  11.651
  420   2HH1  ARG  53          2HH1      ARG  53  -1.080 -12.259  13.010
  421   1HH2  ARG  53          1HH2      ARG  53   1.676 -10.336  13.967
  422   2HH2  ARG  53          2HH2      ARG  53   0.715 -11.731  14.325
  423    H    THR  54           H        THR  54  -0.760  -8.095   5.320
  424    HA   THR  54           HA       THR  54  -3.597  -8.769   5.417
  425    HB   THR  54           HB       THR  54  -2.226  -6.521   3.935
  426    HG1  THR  54           1HG      THR  54  -1.905  -6.425   6.209
  427   1HG2  THR  54          1HG2      THR  54  -4.603  -5.523   4.485
  428   2HG2  THR  54          2HG2      THR  54  -5.063  -7.224   4.429
  429   3HG2  THR  54          3HG2      THR  54  -4.314  -6.466   3.020
  430    H    CYS  55           H        CYS  55  -1.085  -8.345   2.891
  431    HA   CYS  55           HA       CYS  55  -2.825  -9.863   1.076
  432   1HB   CYS  55          2HB       CYS  55  -0.644  -7.853   0.583
  433   2HB   CYS  55          1HB       CYS  55  -1.253  -8.895  -0.699
  434    H    GLY  56           H        GLY  56  -0.143 -10.330   3.002
  435   1HA   GLY  56          2HA       GLY  56   1.239 -12.105   1.144
  436   2HA   GLY  56          1HA       GLY  56   1.751 -11.702   2.776
  437    H    GLY  57           H        GLY  57  -1.185 -13.164   1.360
  438   1HA   GLY  57          2HA       GLY  57  -2.299 -15.099   1.879
  439   2HA   GLY  57          1HA       GLY  57  -0.728 -15.758   2.311
  440    H    ALA  58           H        ALA  58  -0.035 -15.667   4.475
  441    HA   ALA  58           HA       ALA  58  -2.246 -15.463   6.381
  442   1HB   ALA  58          1HB       ALA  58  -0.978 -17.548   6.354
  443   2HB   ALA  58          2HB       ALA  58  -0.805 -16.720   7.902
  444   3HB   ALA  58          3HB       ALA  58   0.502 -16.661   6.719