*HEADER    TOXIN                                   08-JAN-01   1HVW              
*TITLE     HAIRPINLESS MUTANT OF OMEGA-ATRACOTOXIN-HV1A                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OMEGA-ATRACOTOXIN-HV1A;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: OMEGA-ACTX-HV1A;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THE NATIVE PEPTIDE IS NATURALLY FOUND IN HADRONYCHE                  
*SOURCE   5 VERSUTA (BLUE MOUNTAIN FUNNEL-WEB SPIDER).THE MUTANT                 
*SOURCE   6 HAIRPINLESS TOXIN WAS SYNTHESIZED BY SOLID-PHASE PEPTIDE             
*SOURCE   7 SYNTHESIS, OXIDIZED/FOLDED IN A GLUTATHIONE REDOX BUFFER,            
*SOURCE   8 THEN PURIFIED USING REVERSE-PHASE HPLC.                              
*KEYWDS    CYSTINE KNOT, BETA-HAIRPIN                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.I.FLETCHER, G.F.KING                                                
*REVDAT   1   17-JAN-01 1HVW    0                                                
assign (resid   2 and name HN    )(resid   2 and name HB    )  2.93  1.13  0.00
assign (resid   2 and name HN    )(resid   2 and name HG1*  )  4.14  2.34  0.00
assign (resid   2 and name HN    )(resid   2 and name HD*   )  6.19  4.39  0.00
assign (resid   4 and name HN    )(resid   4 and name HA    )  2.77  0.97  0.00
assign (resid   4 and name HN    )(resid   4 and name HB*   )  3.93  2.13  0.00
assign (resid   5 and name HN    )(resid   5 and name HA2   )  2.96  1.16  0.00
assign (resid   5 and name HN    )(resid   5 and name HA1   )  2.96  1.16  0.00
assign (resid   5 and name HN    )(resid   5 and name HA*   )  2.64  0.84  0.00
assign (resid   6 and name HN    )(resid   6 and name HB2   )  2.71  0.91  0.00
assign (resid   6 and name HN    )(resid   6 and name HB1   )  3.53  1.73  0.00
assign (resid   6 and name HN    )(resid   6 and name HG2   )  4.60  2.80  0.00
assign (resid   6 and name HN    )(resid   6 and name HG1   )  4.60  2.80  0.00
assign (resid   6 and name HN    )(resid   6 and name HG*   )  4.17  2.37  0.00
assign (resid   6 and name HA    )(resid   6 and name HB1   )  2.93  1.13  0.00
assign (resid   6 and name HA    )(resid   6 and name HG*   )  4.00  2.20  0.00
assign (resid   6 and name HB1   )(resid   6 and name HG*   )  2.60  0.80  0.00
assign (resid   8 and name HN    )(resid   8 and name HB2   )  3.79  1.99  0.00
assign (resid   8 and name HN    )(resid   8 and name HB1   )  3.79  1.99  0.00
assign (resid   8 and name HA    )(resid   8 and name HB2   )  2.74  0.94  0.00
assign (resid   8 and name HA    )(resid   8 and name HB1   )  2.74  0.94  0.00
assign (resid  11 and name HN    )(resid  11 and name HB2   )  3.02  1.22  0.00
assign (resid  11 and name HN    )(resid  11 and name HB1   )  3.02  1.22  0.00
assign (resid  11 and name HN    )(resid  11 and name HB*   )  2.83  1.03  0.00
assign (resid  11 and name HN    )(resid  11 and name HD2*  )  6.37  4.57  0.00
assign (resid  11 and name HA    )(resid  11 and name HB*   )  2.64  0.84  0.00
assign (resid  11 and name HB2   )(resid  11 and name HD21  )  3.95  2.15  0.00
assign (resid  11 and name HB2   )(resid  11 and name HD22  )  3.95  2.15  0.00
assign (resid  11 and name HB1   )(resid  11 and name HD21  )  3.95  2.15  0.00
assign (resid  11 and name HB1   )(resid  11 and name HD22  )  3.95  2.15  0.00
assign (resid  13 and name HN    )(resid  13 and name HB2   )  4.01  2.21  0.00
assign (resid  13 and name HN    )(resid  13 and name HB1   )  4.01  2.21  0.00
assign (resid  13 and name HN    )(resid  13 and name HB*   )  3.54  1.74  0.00
assign (resid  14 and name HN    )(resid  14 and name HB2   )  3.11  1.31  0.00
assign (resid  14 and name HN    )(resid  14 and name HB1   )  3.71  1.91  0.00
assign (resid  14 and name HA    )(resid  14 and name HB1   )  3.02  1.22  0.00
assign (resid  15 and name HN    )(resid  15 and name HB2   )  2.96  1.16  0.00
assign (resid  15 and name HN    )(resid  15 and name HB1   )  3.50  1.70  0.00
assign (resid  15 and name HA    )(resid  15 and name HB2   )  2.99  1.19  0.00
assign (resid  15 and name HA    )(resid  15 and name HB1   )  2.62  0.82  0.00
assign (resid  16 and name HN    )(resid  16 and name HB2   )  3.62  1.82  0.00
assign (resid  16 and name HN    )(resid  16 and name HB1   )  2.96  1.16  0.00
assign (resid  16 and name HA    )(resid  16 and name HB2   )  2.99  1.19  0.00
assign (resid  16 and name HA    )(resid  16 and name HB1   )  2.49  0.69  0.00
assign (resid  17 and name HN    )(resid  17 and name HA    )  2.40  0.60  0.00
assign (resid  17 and name HN    )(resid  17 and name HB2   )  3.69  1.89  0.00
assign (resid  17 and name HN    )(resid  17 and name HB1   )  3.69  1.89  0.00
assign (resid  17 and name HN    )(resid  17 and name HB*   )  3.44  1.64  0.00
assign (resid  17 and name HA    )(resid  17 and name HB*   )  2.64  0.84  0.00
assign (resid  18 and name HN    )(resid  18 and name HB2   )  3.27  1.47  0.00
assign (resid  18 and name HN    )(resid  18 and name HB1   )  3.27  1.47  0.00
assign (resid  18 and name HN    )(resid  18 and name HB*   )  2.99  1.19  0.00
assign (resid  19 and name HN    )(resid  19 and name HB*   )  3.87  2.07  0.00
assign (resid  20 and name HN    )(resid  20 and name HB    )  2.96  1.16  0.00
assign (resid  20 and name HA    )(resid  20 and name HB    )  2.94  1.14  0.00
assign (resid  22 and name HN    )(resid  22 and name HA2   )  2.87  1.07  0.00
assign (resid  22 and name HN    )(resid  22 and name HA1   )  2.87  1.07  0.00
assign (resid  22 and name HN    )(resid  22 and name HA*   )  2.52  0.72  0.00
assign (resid  23 and name HN    )(resid  23 and name HB2   )  3.73  1.93  0.00
assign (resid  23 and name HN    )(resid  23 and name HB1   )  3.33  1.53  0.00
assign (resid  23 and name HN    )(resid  23 and name HD*   )  6.13  4.33  0.00
assign (resid  23 and name HA    )(resid  23 and name HD*   )  6.31  4.51  0.00
assign (resid  23 and name HB2   )(resid  23 and name HE    )  5.50  3.70  0.00
assign (resid  23 and name HB1   )(resid  23 and name HE    )  5.50  3.70  0.00
assign (resid  23 and name HB*   )(resid  23 and name HE    )  4.77  2.97  0.00
assign (resid  24 and name HA    )(resid  24 and name HB1   )  2.99  1.19  0.00
assign (resid  25 and name HN    )(resid  25 and name HB2   )  2.80  1.00  0.00
assign (resid  25 and name HN    )(resid  25 and name HB1   )  3.53  1.73  0.00
assign (resid  25 and name HA    )(resid  25 and name HB1   )  2.74  0.94  0.00
            
!! |i-j| = 1; total restraints in this range = 77      
assign (resid   1 and name HB2   )(resid   2 and name HN    )  4.01  2.21  0.00
assign (resid   1 and name HB1   )(resid   2 and name HN    )  4.01  2.21  0.00
assign (resid   1 and name HB*   )(resid   2 and name HN    )  3.54  1.74  0.00
assign (resid   2 and name HG2*  )(resid   3 and name HD2   )  5.66  3.86  0.00
assign (resid   2 and name HG2*  )(resid   3 and name HD1   )  5.66  3.86  0.00
assign (resid   2 and name HG2*  )(resid   3 and name HD*   )  5.07  3.27  0.00
assign (resid   3 and name HA    )(resid   4 and name HN    )  2.43  0.63  0.00
assign (resid   3 and name HB2   )(resid   4 and name HN    )  3.24  1.44  0.00
assign (resid   3 and name HB1   )(resid   4 and name HN    )  3.43  1.63  0.00
assign (resid   4 and name HA    )(resid   5 and name HN    )  2.40  0.60  0.00
assign (resid   4 and name HN    )(resid   5 and name HN    )  4.89  3.09  0.00
assign (resid   5 and name HN    )(resid   6 and name HN    )  2.99  1.19  0.00
assign (resid   5 and name HA2   )(resid   6 and name HN    )  3.52  1.72  0.00
assign (resid   5 and name HA1   )(resid   6 and name HN    )  3.52  1.72  0.00
assign (resid   6 and name HA    )(resid   7 and name HD2   )  3.08  1.28  0.00
assign (resid   6 and name HA    )(resid   7 and name HD1   )  3.08  1.28  0.00
assign (resid   6 and name HA    )(resid   7 and name HD*   )  2.62  0.82  0.00
assign (resid   6 and name HB2   )(resid   7 and name HD*   )  6.22  4.42  0.00
assign (resid   6 and name HG2   )(resid   7 and name HD2   )  7.25  5.45  0.00
assign (resid   6 and name HG2   )(resid   7 and name HD1   )  7.25  5.45  0.00
assign (resid   6 and name HG1   )(resid   7 and name HD2   )  7.25  5.45  0.00
assign (resid   6 and name HG1   )(resid   7 and name HD1   )  7.25  5.45  0.00
assign (resid   6 and name HG*   )(resid   7 and name HD*   )  5.64  3.84  0.00
assign (resid   7 and name HB2   )(resid   8 and name HN    )  4.14  2.34  0.00
assign (resid   7 and name HB1   )(resid   8 and name HN    )  3.69  1.89  0.00
assign (resid   7 and name HG2   )(resid   8 and name HN    )  5.70  3.90  0.00
assign (resid   7 and name HG1   )(resid   8 and name HN    )  5.70  3.90  0.00
assign (resid   7 and name HG*   )(resid   8 and name HN    )  5.07  3.27  0.00
assign (resid   8 and name HA    )(resid   9 and name HD*   )  3.27  1.47  0.00
assign (resid   9 and name HB1   )(resid  10 and name HE*   )  7.63  5.83  0.00
assign (resid   9 and name HG2   )(resid  10 and name HD*   )  7.11  5.31  0.00
assign (resid   9 and name HG2   )(resid  10 and name HE*   )  7.63  5.83  0.00
assign (resid   9 and name HG1   )(resid  10 and name HD*   )  7.11  5.31  0.00
assign (resid   9 and name HG1   )(resid  10 and name HE*   )  7.63  0.00  0.00
assign (resid   9 and name HG*   )(resid  10 and name HD*   )  6.74  5.83  0.00
assign (resid   9 and name HD*   )(resid  10 and name HD*   )  7.46  5.66  0.00
assign (resid   9 and name HD*   )(resid  10 and name HE*   )  8.51  6.71  0.00
assign (resid  10 and name HD*   )(resid  11 and name HN    )  7.45  5.65  0.00
assign (resid  10 and name HE*   )(resid  11 and name HB*   )  8.51  6.71  0.00
assign (resid  11 and name HN    )(resid  12 and name HB*   )  4.83  3.03  0.00
assign (resid  12 and name HB2   )(resid  13 and name HN    )  4.82  3.02  0.00
assign (resid  12 and name HB1   )(resid  13 and name HN    )  4.82  3.02  0.00
assign (resid  13 and name HN    )(resid  14 and name HN    )  3.27  1.47  0.00
assign (resid  14 and name HN    )(resid  15 and name HN    )  4.63  2.83  0.00
assign (resid  14 and name HA    )(resid  15 and name HN    )  2.49  0.69  0.00
assign (resid  14 and name HB2   )(resid  15 and name HN    )  4.17  2.37  0.00
assign (resid  14 and name HB1   )(resid  15 and name HN    )  3.36  1.56  0.00
assign (resid  15 and name HN    )(resid  16 and name HN    )  2.87  1.07  0.00
assign (resid  15 and name HB2   )(resid  16 and name HN    )  3.02  1.22  0.00
assign (resid  15 and name HB1   )(resid  16 and name HN    )  3.45  1.65  0.00
assign (resid  16 and name HN    )(resid  17 and name HN    )  2.96  1.16  0.00
assign (resid  16 and name HA    )(resid  17 and name HN    )  3.55  1.75  0.00
assign (resid  16 and name HB1   )(resid  17 and name HN    )  4.97  3.17  0.00
assign (resid  17 and name HN    )(resid  18 and name HN    )  3.08  1.28  0.00
assign (resid  17 and name HA    )(resid  18 and name HN    )  3.11  1.31  0.00
assign (resid  18 and name HN    )(resid  19 and name HN    )  4.48  2.68  0.00
assign (resid  18 and name HA    )(resid  19 and name HN    )  2.56  0.76  0.00
assign (resid  19 and name HN    )(resid  20 and name HN    )  4.91  3.11  0.00
assign (resid  19 and name HA    )(resid  20 and name HN    )  2.46  0.66  0.00
assign (resid  19 and name HB*   )(resid  20 and name HN    )  5.11  3.31  0.00
assign (resid  20 and name HN    )(resid  21 and name HN    )  5.00  3.20  0.00
assign (resid  20 and name HA    )(resid  21 and name HN    )  2.52  0.72  0.00
assign (resid  20 and name HB    )(resid  21 and name HN    )  4.38  2.58  0.00
assign (resid  20 and name HG2*  )(resid  21 and name HN    )  4.85  3.05  0.00
assign (resid  21 and name HN    )(resid  22 and name HN    )  3.11  1.31  0.00
assign (resid  22 and name HN    )(resid  23 and name HN    )  2.99  1.19  0.00
assign (resid  22 and name HA2   )(resid  23 and name HN    )  3.58  1.78  0.00
assign (resid  22 and name HA1   )(resid  23 and name HN    )  3.58  1.78  0.00
assign (resid  23 and name HN    )(resid  24 and name HN    )  4.32  2.52  0.00
assign (resid  23 and name HA    )(resid  24 and name HN    )  2.43  0.63  0.00
assign (resid  23 and name HB2   )(resid  24 and name HN    )  3.82  2.02  0.00
assign (resid  23 and name HB1   )(resid  24 and name HN    )  3.82  2.02  0.00
assign (resid  23 and name HB*   )(resid  24 and name HN    )  3.63  1.83  0.00
assign (resid  24 and name HN    )(resid  25 and name HN    )  4.55  2.75  0.00
assign (resid  24 and name HA    )(resid  25 and name HN    )  2.40  0.60  0.00
assign (resid  24 and name HB2   )(resid  25 and name HN    )  3.93  2.13  0.00
assign (resid  24 and name HB1   )(resid  25 and name HN    )  3.30  1.50  0.00

!! 1 < |i-j| <= 5; total restraints in this range = 29
assign (resid   2 and name HG2*  )(resid   6 and name HN    )  5.85  4.05  0.00
assign (resid   2 and name HG2*  )(resid   6 and name HB2   )  3.95  2.15  0.00
assign (resid   2 and name HG2*  )(resid   6 and name HB1   )  4.48  2.68  0.00
assign (resid   2 and name HG2*  )(resid   6 and name HG2   )  5.72  3.92  0.00
assign (resid   2 and name HG2*  )(resid   6 and name HG1   )  5.72  3.92  0.00
assign (resid   2 and name HD*   )(resid   6 and name HB2   )  6.53  4.73  0.00
assign (resid   4 and name HN    )(resid   6 and name HN    )  5.28  3.48  0.00
assign (resid   4 and name HA    )(resid   6 and name HN    )  3.52  1.72  0.00
assign (resid   9 and name HB2   )(resid  13 and name HD2*  )  6.37  4.57  0.00
assign (resid   9 and name HG*   )(resid  13 and name HD2*  )  7.24  5.44  0.00
assign (resid  14 and name HN    )(resid  16 and name HN    )  5.38  3.58  0.00
assign (resid  14 and name HB2   )(resid  16 and name HN    )  3.48  1.68  0.00
assign (resid  14 and name HB1   )(resid  16 and name HN    )  2.83  1.03  0.00
assign (resid  14 and name HB2   )(resid  18 and name HN    )  2.93  1.13  0.00
assign (resid  14 and name HB1   )(resid  18 and name HN    )  3.36  1.56  0.00
assign (resid  14 and name HA    )(resid  17 and name HN    )  4.97  3.17  0.00
assign (resid  14 and name HB2   )(resid  17 and name HN    )  2.90  1.10  0.00
assign (resid  14 and name HB2   )(resid  17 and name HA    )  3.14  1.34  0.00
assign (resid  14 and name HB1   )(resid  17 and name HN    )  3.11  1.31  0.00
assign (resid  14 and name HB1   )(resid  17 and name HA    )  3.98  2.18  0.00
assign (resid  15 and name HN    )(resid  17 and name HN    )  4.26  2.46  0.00
assign (resid  15 and name HA    )(resid  17 and name HN    )  4.01  2.21  0.00
assign (resid  16 and name HN    )(resid  18 and name HN    )  4.17  2.37  0.00
assign (resid  16 and name HA    )(resid  18 and name HN    )  4.69  2.89  0.00
assign (resid  20 and name HA    )(resid  22 and name HN    )  4.14  2.34  0.00
assign (resid  20 and name HN    )(resid  23 and name HN    )  3.27  1.47  0.00
assign (resid  20 and name HN    )(resid  24 and name HA    )  3.52  1.72  0.00
assign (resid  20 and name HN    )(resid  25 and name HN    )  3.61  1.81  0.00
assign (resid  21 and name HN    )(resid  23 and name HN    )  5.13  3.33  0.00
            
!! range |i-j| > 5; total restraints in this range = 57
assign (resid   1 and name HB*   )(resid  15 and name HN    )  4.95  3.15  0.00      
assign (resid   2 and name HG2*  )(resid   8 and name HB2   )  6.53  4.73  0.00
assign (resid   2 and name HG2*  )(resid   8 and name HB1   )  6.53  4.73  0.00
assign (resid   2 and name HG2*  )(resid   8 and name HB*   )  6.27  4.47  0.00
assign (resid   2 and name HD*   )(resid   8 and name HN    )  6.53  4.73  0.00
assign (resid   2 and name HD*   )(resid   8 and name HA    )  4.17  2.37  0.00
assign (resid   2 and name HD*   )(resid   8 and name HB2   )  5.26  3.46  0.00
assign (resid   2 and name HD*   )(resid   8 and name HB1   )  5.26  3.46  0.00
assign (resid   2 and name HD*   )(resid   8 and name HB*   )  4.95  3.15  0.00
assign (resid   2 and name HG2*  )(resid   9 and name HD*   )  7.40  5.60  0.00
assign (resid   2 and name HD*   )(resid   9 and name HD2   )  5.23  3.43  0.00
assign (resid   2 and name HD*   )(resid   9 and name HD1   )  5.23  3.43  0.00
assign (resid   2 and name HD*   )(resid   9 and name HD*   )  5.01  3.21  0.00
assign (resid   2 and name HG2*  )(resid  13 and name HB*   )  7.12  5.32  0.00
assign (resid   2 and name HG1*  )(resid  13 and name HB*   )  6.04  4.24  0.00
assign (resid   2 and name HD*   )(resid  13 and name HB2   )  5.01  3.21  0.00
assign (resid   2 and name HD*   )(resid  13 and name HB1   )  5.01  3.21  0.00
assign (resid   2 and name HD*   )(resid  13 and name HB*   )  4.60  2.80  0.00
assign (resid   2 and name HN    )(resid  14 and name HA    )  3.05  1.25  0.00
assign (resid   2 and name HB    )(resid  15 and name HN    )  4.20  2.40  0.00
assign (resid   2 and name HG2*  )(resid  15 and name HN    )  6.53  4.73  0.00
assign (resid   2 and name HD*   )(resid  15 and name HN    )  6.53  4.73  0.00
assign (resid   2 and name HG2*  )(resid  24 and name HN    )  6.53  4.73  0.00
assign (resid   2 and name HG2*  )(resid  24 and name HB2   )  6.43  4.63  0.00
assign (resid   4 and name HN    )(resid  15 and name HN    )  4.97  3.17  0.00
assign (resid   4 and name HA    )(resid  24 and name HN    )  4.23  2.43  0.00
assign (resid   4 and name HA    )(resid  24 and name HB2   )  3.05  1.25  0.00
assign (resid   4 and name HA    )(resid  24 and name HB1   )  3.70  1.90  0.00
assign (resid   5 and name HN    )(resid  23 and name HB*   )  6.38  4.58  0.00
assign (resid   5 and name HA*   )(resid  23 and name HB*   )  6.69  4.89  0.00
assign (resid   5 and name HN    )(resid  24 and name HN    )  3.58  1.78  0.00
assign (resid   5 and name HN    )(resid  24 and name HA    )  4.91  3.11  0.00
assign (resid   5 and name HN    )(resid  24 and name HB2   )  3.48  1.68  0.00
assign (resid   5 and name HN    )(resid  24 and name HB1   )  4.51  2.71  0.00
assign (resid   6 and name HN    )(resid  23 and name HA    )  5.44  3.64  0.00
assign (resid   6 and name HN    )(resid  24 and name HN    )  3.52  1.72  0.00
assign (resid   6 and name HN    )(resid  24 and name HB2   )  3.92  2.12  0.00
assign (resid   6 and name HN    )(resid  24 and name HB1   )  5.19  3.39  0.00
assign (resid   6 and name HB2   )(resid  24 and name HN    )  5.50  3.70  0.00
assign (resid   8 and name HN    )(resid  22 and name HA2   )  4.57  2.77  0.00
assign (resid   8 and name HN    )(resid  22 and name HA1   )  4.57  2.77  0.00
assign (resid   8 and name HN    )(resid  22 and name HA*   )  4.14  2.34  0.00
assign (resid   8 and name HN    )(resid  24 and name HN    )  4.18  2.38  0.00
assign (resid   8 and name HB*   )(resid  24 and name HN    )  6.38  4.58  0.00
assign (resid  11 and name HA    )(resid  19 and name HN    )  3.01  1.21  0.00
assign (resid  18 and name HN    )(resid  25 and name HN    )  4.42  2.62  0.00
assign (resid  18 and name HN    )(resid  25 and name HB2   )  5.50  3.70  0.00
assign (resid  18 and name HB2   )(resid  25 and name HN    )  5.50  3.70  0.00
assign (resid  18 and name HB2   )(resid  25 and name HB2   )  4.48  2.68  0.00
assign (resid  18 and name HB2   )(resid  25 and name HB1   )  5.50  3.70  0.00
assign (resid  18 and name HB1   )(resid  25 and name HN    )  5.50  3.70  0.00
assign (resid  18 and name HB1   )(resid  25 and name HB2   )  4.48  2.68  0.00
assign (resid  18 and name HB1   )(resid  25 and name HB1   )  5.50  3.70  0.00
assign (resid  18 and name HB*   )(resid  25 and name HN    )  5.05  3.25  0.00
assign (resid  18 and name HB*   )(resid  25 and name HB2   )  3.75  1.95  0.00
assign (resid  18 and name HB*   )(resid  25 and name HB1   )  4.81  3.01  0.00
assign (resid  19 and name HA    )(resid  25 and name HN    )  3.21  1.41  0.00
            
!! HYDROGEN-BOND RESTRAINTS (16 for 8 H-bonds)
assign (resid  16 and name OG    )(resid  18 and name HN    )  2.00  0.30  0.30
assign (resid  16 and name OG    )(resid  18 and name N     )  3.00  0.30  0.30
assign (resid   3 and name O     )(resid   6 and name HN    )  2.00  0.30  0.30
assign (resid   3 and name O     )(resid   6 and name N     )  3.00  0.30  0.30
assign (resid  20 and name O     )(resid  23 and name HN    )  2.00  0.30  0.30
assign (resid  20 and name O     )(resid  23 and name N     )  3.00  0.30  0.30
assign (resid  18 and name O     )(resid  25 and name HN    )  2.00  0.30  0.30
assign (resid  18 and name O     )(resid  25 and name N     )  3.00  0.30  0.30
assign (resid   2 and name O     )(resid  15 and name HN    )  2.00  0.30  0.30
assign (resid   2 and name O     )(resid  15 and name N     )  3.00  0.30  0.30
assign (resid   8 and name HN    )(resid  22 and name O     )  2.00  0.30  0.30
assign (resid   8 and name N     )(resid  22 and name O     )  3.00  0.30  0.30
assign (resid   6 and name O     )(resid  24 and name HN    )  2.00  0.30  0.30
assign (resid   6 and name O     )(resid  24 and name N     )  3.00  0.30  0.30
assign (resid   5 and name HN    )(resid  24 and name O     )  2.00  0.30  0.30
assign (resid   5 and name N     )(resid  24 and name O     )  3.00  0.30  0.30

!! DIHEDRAL-ANGLE RESTRAINTS
!! PHI (total = 11)
assign (resid   3 and name c )    (resid   4 and name n ) 
       (resid   4 and name ca)    (resid   4 and name c )   1.0  -60.0 20.0 2

assign (resid   5 and name c )    (resid   6 and name n ) 
       (resid   6 and name ca)    (resid   6 and name c )   1.0 -120.0 30.0 2

assign (resid   7 and name c )    (resid   8 and name n ) 
       (resid   8 and name ca)    (resid   8 and name c )   1.0 -120.0 30.0 2

assign (resid  12 and name c )    (resid  13 and name n ) 
       (resid  13 and name ca)    (resid  13 and name c )   1.0 -120.0 30.0 2

assign (resid  14 and name c )    (resid  15 and name n ) 
       (resid  15 and name ca)    (resid  15 and name c )   1.0  -60.0 20.0 2

assign (resid  17 and name c )    (resid  18 and name n ) 
       (resid  18 and name ca)    (resid  18 and name c )   1.0 -120.0 30.0 2

assign (resid  18 and name c )    (resid  19 and name n ) 
       (resid  19 and name ca)    (resid  19 and name c )   1.0 -100.0 80.0 2

assign (resid  19 and name c )    (resid  20 and name n ) 
       (resid  20 and name ca)    (resid  20 and name c )   1.0 -120.0 30.0 2

assign (resid  22 and name c )    (resid  23 and name n ) 
       (resid  23 and name ca)    (resid  23 and name c )   1.0 -120.0 30.0 2

assign (resid  23 and name c )    (resid  24 and name n ) 
       (resid  24 and name ca)    (resid  24 and name c )   1.0  -60.0 20.0 2

assign (resid  24 and name c )    (resid  25 and name n ) 
       (resid  25 and name ca)    (resid  25 and name c )   1.0 -100.0 80.0 2

!!CHI  (total = 8)
assign (resid   1 and name n)     (resid   1 and name ca)
       (resid   1 and name cb)    (resid   1 and name sg)   1.0   60.0 25.0 2

assign (resid   6 and name n)     (resid   6 and name ca)
       (resid   6 and name cb)    (resid   6 and name cg)   1.0  -60.0 25.0 2

assign (resid   8 and name n)     (resid   8 and name ca)
       (resid   8 and name cb)    (resid   8 and name sg)   1.0   60.0 25.0 2

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 25.0 2

assign (resid  15 and name n)     (resid  15 and name ca)
       (resid  15 and name cb)    (resid  15 and name sg)   1.0  -60.0 25.0 2

assign (resid  16 and name n)     (resid  16 and name ca)
       (resid  16 and name cb)    (resid  16 and name og)   1.0   60.0 25.0 2
 
assign (resid  24 and name n)     (resid  24 and name ca)
       (resid  24 and name cb)    (resid  24 and name sg)   1.0  -60.0 25.0 2

assign (resid  25 and name n)     (resid  25 and name ca)
       (resid  25 and name cb)    (resid  25 and name cg)   1.0  -60.0 25.0 2 







  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          1HT       CYS   1  -6.338 -10.052  -3.987
    2   2H    CYS   1          2HT       CYS   1  -4.689  -9.863  -3.627
    3   3H    CYS   1          3HT       CYS   1  -5.283  -9.424  -5.157
    4    HA   CYS   1           HA       CYS   1  -6.286  -7.516  -4.402
    5   1HB   CYS   1          2HB       CYS   1  -6.730  -7.155  -1.958
    6   2HB   CYS   1          1HB       CYS   1  -7.609  -8.526  -2.632
    7    H    ILE   2           H        ILE   2  -5.193  -5.594  -3.725
    8    HA   ILE   2           HA       ILE   2  -2.322  -5.784  -3.680
    9    HB   ILE   2           HB       ILE   2  -4.087  -3.428  -2.943
   10   1HG1  ILE   2          2HG1      ILE   2  -2.828  -4.143  -5.609
   11   2HG1  ILE   2          1HG1      ILE   2  -4.525  -4.419  -5.212
   12   1HG2  ILE   2          1HG2      ILE   2  -1.181  -3.639  -3.790
   13   2HG2  ILE   2          2HG2      ILE   2  -1.790  -3.088  -2.228
   14   3HG2  ILE   2          3HG2      ILE   2  -2.073  -2.121  -3.676
   15   1HD1  ILE   2          1HD1      ILE   2  -3.685  -2.161  -6.406
   16   2HD1  ILE   2          2HD1      ILE   2  -3.459  -1.681  -4.724
   17   3HD1  ILE   2          3HD1      ILE   2  -5.052  -2.184  -5.292
   18    HA   PRO   3           HA       PRO   3  -1.978  -6.326   0.766
   19   1HB   PRO   3          2HB       PRO   3   0.742  -6.257   0.914
   20   2HB   PRO   3          1HB       PRO   3  -0.170  -7.650   0.321
   21   1HG   PRO   3          2HG       PRO   3   1.489  -5.729  -1.166
   22   2HG   PRO   3          1HG       PRO   3   0.995  -7.369  -1.610
   23   1HD   PRO   3          2HD       PRO   3  -0.118  -4.900  -2.549
   24   2HD   PRO   3          1HD       PRO   3  -0.666  -6.549  -2.924
   25    H    SER   4           H        SER   4  -1.114  -5.184   2.652
   26    HA   SER   4           HA       SER   4  -1.454  -2.366   2.553
   27   1HB   SER   4          2HB       SER   4  -1.785  -3.538   4.640
   28   2HB   SER   4          1HB       SER   4  -0.128  -4.135   4.622
   29    HG   SER   4           HG       SER   4   0.574  -2.231   5.256
   30    H    GLY   5           H        GLY   5   0.021  -0.686   2.356
   31   1HA   GLY   5          2HA       GLY   5   2.324   0.175   2.511
   32   2HA   GLY   5          1HA       GLY   5   2.894  -1.426   2.041
   33    H    GLN   6           H        GLN   6   0.646  -1.558  -0.024
   34    HA   GLN   6           HA       GLN   6   2.152  -0.171  -2.155
   35   1HB   GLN   6          2HB       GLN   6   0.031  -2.295  -2.059
   36   2HB   GLN   6          1HB       GLN   6   0.269  -1.384  -3.548
   37   1HG   GLN   6          2HG       GLN   6   2.495  -2.800  -2.065
   38   2HG   GLN   6          1HG       GLN   6   1.625  -3.495  -3.432
   39   1HE2  GLN   6          1HE2      GLN   6   1.827  -2.347  -5.549
   40   2HE2  GLN   6          2HE2      GLN   6   3.178  -1.364  -5.847
   41    HA   PRO   7           HA       PRO   7  -0.867   3.060  -2.570
   42   1HB   PRO   7          2HB       PRO   7  -0.608   3.662  -5.213
   43   2HB   PRO   7          1HB       PRO   7   0.615   4.059  -3.998
   44   1HG   PRO   7          2HG       PRO   7   0.674   2.020  -6.118
   45   2HG   PRO   7          1HG       PRO   7   2.014   2.790  -5.258
   46   1HD   PRO   7          2HD       PRO   7   0.931   0.180  -4.799
   47   2HD   PRO   7          1HD       PRO   7   2.202   1.001  -3.865
   48    H    CYS   8           H        CYS   8  -3.002   3.438  -3.180
   49    HA   CYS   8           HA       CYS   8  -4.271   1.467  -5.030
   50   1HB   CYS   8          2HB       CYS   8  -6.247   1.431  -3.498
   51   2HB   CYS   8          1HB       CYS   8  -4.804   0.739  -2.766
   52    HA   PRO   9           HA       PRO   9  -6.253   5.091  -6.687
   53   1HB   PRO   9          2HB       PRO   9  -8.417   3.933  -7.880
   54   2HB   PRO   9          1HB       PRO   9  -6.766   3.763  -8.493
   55   1HG   PRO   9          2HG       PRO   9  -8.476   1.776  -7.163
   56   2HG   PRO   9          1HG       PRO   9  -7.072   1.534  -8.211
   57   1HD   PRO   9          2HD       PRO   9  -7.163   1.369  -5.348
   58   2HD   PRO   9          1HD       PRO   9  -5.740   1.199  -6.400
   59    H    TYR  10           H        TYR  10  -8.623   2.874  -5.163
   60    HA   TYR  10           HA       TYR  10  -9.776   5.204  -3.715
   61   1HB   TYR  10          2HB       TYR  10 -11.242   3.303  -5.542
   62   2HB   TYR  10          1HB       TYR  10 -12.079   4.109  -4.214
   63    HD1  TYR  10           1HD      TYR  10 -10.821   4.441  -7.567
   64    HD2  TYR  10           2HD      TYR  10 -11.923   6.667  -4.064
   65    HE1  TYR  10           1HE      TYR  10 -11.015   6.500  -8.937
   66    HE2  TYR  10           2HE      TYR  10 -12.117   8.726  -5.433
   67    HH   TYR  10           HH       TYR  10 -10.908   8.950  -8.595
   68    H    ASN  11           H        ASN  11 -11.406   4.324  -2.013
   69    HA   ASN  11           HA       ASN  11 -10.030   2.291  -0.455
   70   1HB   ASN  11          2HB       ASN  11 -11.582   4.395   0.223
   71   2HB   ASN  11          1HB       ASN  11 -12.781   3.105   0.303
   72   1HD2  ASN  11          1HD2      ASN  11 -11.727   4.534   2.635
   73   2HD2  ASN  11          2HD2      ASN  11 -10.915   3.393   3.592
   74    H    GLU  12           H        GLU  12 -10.414   0.797  -2.502
   75    HA   GLU  12           HA       GLU  12 -12.273  -1.252  -1.716
   76   1HB   GLU  12          2HB       GLU  12 -13.639   0.708  -2.927
   77   2HB   GLU  12          1HB       GLU  12 -13.071  -0.135  -4.368
   78   1HG   GLU  12          2HG       GLU  12 -13.907  -2.285  -3.156
   79   2HG   GLU  12          1HG       GLU  12 -14.837  -1.166  -2.159
   80    H    ASN  13           H        ASN  13  -9.482  -0.966  -2.487
   81    HA   ASN  13           HA       ASN  13  -9.403  -3.083  -4.548
   82   1HB   ASN  13          2HB       ASN  13  -8.110  -0.365  -4.848
   83   2HB   ASN  13          1HB       ASN  13  -7.525  -1.783  -5.722
   84   1HD2  ASN  13          1HD2      ASN  13  -8.704  -2.450  -7.568
   85   2HD2  ASN  13          2HD2      ASN  13 -10.148  -1.718  -8.079
   86    H    CYS  14           H        CYS  14  -8.820  -2.838  -1.652
   87    HA   CYS  14           HA       CYS  14  -5.930  -3.606  -1.724
   88   1HB   CYS  14          2HB       CYS  14  -7.458  -2.142   0.449
   89   2HB   CYS  14          1HB       CYS  14  -5.811  -2.729   0.616
   90    H    CYS  15           H        CYS  15  -5.369  -5.174   0.046
   91    HA   CYS  15           HA       CYS  15  -7.224  -7.360   0.153
   92   1HB   CYS  15          2HB       CYS  15  -4.734  -6.719   1.748
   93   2HB   CYS  15          1HB       CYS  15  -5.615  -8.231   1.901
   94    H    SER  16           H        SER  16  -6.297  -4.829   2.429
   95    HA   SER  16           HA       SER  16  -8.279  -5.731   4.418
   96   1HB   SER  16          2HB       SER  16  -7.359  -4.041   5.834
   97   2HB   SER  16          1HB       SER  16  -5.994  -4.768   4.996
   98    HG   SER  16           HG       SER  16  -6.039  -3.030   3.543
   99    H    GLN  17           H        GLN  17  -8.238  -3.737   1.643
  100    HA   GLN  17           HA       GLN  17  -9.797  -2.251   0.758
  101   1HB   GLN  17          2HB       GLN  17 -11.372  -4.082   1.572
  102   2HB   GLN  17          1HB       GLN  17 -11.615  -3.107   3.021
  103   1HG   GLN  17          2HG       GLN  17 -12.644  -1.362   1.829
  104   2HG   GLN  17          1HG       GLN  17 -11.965  -1.891   0.289
  105   1HE2  GLN  17          1HE2      GLN  17 -12.895  -3.913  -0.669
  106   2HE2  GLN  17          2HE2      GLN  17 -14.475  -4.382  -0.260
  107    H    SER  18           H        SER  18  -7.918  -1.492   2.993
  108    HA   SER  18           HA       SER  18  -9.434   0.913   3.944
  109   1HB   SER  18          2HB       SER  18  -8.639  -0.947   5.653
  110   2HB   SER  18          1HB       SER  18  -7.078  -0.155   5.462
  111    HG   SER  18           HG       SER  18  -8.646   0.634   7.146
  112    H    CYS  19           H        CYS  19  -8.677   2.253   2.248
  113    HA   CYS  19           HA       CYS  19  -5.799   2.399   1.672
  114   1HB   CYS  19          2HB       CYS  19  -8.256   3.802   0.632
  115   2HB   CYS  19          1HB       CYS  19  -6.649   4.423   0.256
  116    H    THR  20           H        THR  20  -4.482   3.520   3.014
  117    HA   THR  20           HA       THR  20  -5.510   6.067   4.193
  118    HB   THR  20           HB       THR  20  -3.428   4.500   5.640
  119    HG1  THR  20           1HG      THR  20  -6.203   3.927   5.668
  120   1HG2  THR  20          1HG2      THR  20  -4.745   5.438   7.583
  121   2HG2  THR  20          2HG2      THR  20  -5.753   6.278   6.404
  122   3HG2  THR  20          3HG2      THR  20  -4.035   6.655   6.521
  123    H    GLY  21           H        GLY  21  -4.279   7.774   3.572
  124   1HA   GLY  21          2HA       GLY  21  -2.403   9.018   2.892
  125   2HA   GLY  21          1HA       GLY  21  -1.395   7.678   3.437
  126    H    GLY  22           H        GLY  22  -3.970   7.205   1.106
  127   1HA   GLY  22          2HA       GLY  22  -3.916   6.750  -1.198
  128   2HA   GLY  22          1HA       GLY  22  -2.302   7.455  -1.246
  129    H    ARG  23           H        ARG  23  -2.682   4.957   1.104
  130    HA   ARG  23           HA       ARG  23  -1.676   2.903  -0.778
  131   1HB   ARG  23          2HB       ARG  23   0.010   2.255   0.987
  132   2HB   ARG  23          1HB       ARG  23   0.338   3.789   0.192
  133   1HG   ARG  23          2HG       ARG  23  -0.621   5.016   2.068
  134   2HG   ARG  23          1HG       ARG  23  -1.098   3.506   2.846
  135   1HD   ARG  23          2HD       ARG  23   1.265   2.838   3.026
  136   2HD   ARG  23          1HD       ARG  23   1.754   4.333   2.227
  137    HE   ARG  23           HE       ARG  23   1.402   5.477   4.257
  138   1HH1  ARG  23          1HH2      ARG  23  -0.148   2.343   4.351
  139   2HH1  ARG  23          2HH2      ARG  23  -0.553   2.482   6.026
  140   1HH2  ARG  23          1HH1      ARG  23   0.858   5.614   6.424
  141   2HH2  ARG  23          2HH1      ARG  23   0.009   4.313   7.188
  142    H    CYS  24           H        CYS  24  -2.057   0.757  -0.050
  143    HA   CYS  24           HA       CYS  24  -4.479   0.411   1.466
  144   1HB   CYS  24          2HB       CYS  24  -2.405  -1.681   0.769
  145   2HB   CYS  24          1HB       CYS  24  -4.074  -1.983   1.237
  146    H    ASP  25           H        ASP  25  -4.759  -0.042   3.586
  147    HA   ASP  25           HA       ASP  25  -2.314  -0.252   5.291
  148   1HB   ASP  25          2HB       ASP  25  -4.959   1.108   5.665
  149   2HB   ASP  25          1HB       ASP  25  -4.090   0.523   7.081
  Start of MODEL    2
    1   1H    CYS   1          1HT       CYS   1  -6.334 -10.126  -3.958
    2   2H    CYS   1          2HT       CYS   1  -4.700  -9.936  -3.531
    3   3H    CYS   1          3HT       CYS   1  -5.229  -9.510  -5.089
    4    HA   CYS   1           HA       CYS   1  -6.299  -7.609  -4.376
    5   1HB   CYS   1          2HB       CYS   1  -6.745  -7.210  -1.936
    6   2HB   CYS   1          1HB       CYS   1  -7.610  -8.601  -2.587
    7    H    ILE   2           H        ILE   2  -5.238  -5.659  -3.716
    8    HA   ILE   2           HA       ILE   2  -2.366  -5.799  -3.689
    9    HB   ILE   2           HB       ILE   2  -4.158  -3.465  -2.946
   10   1HG1  ILE   2          2HG1      ILE   2  -2.916  -4.127  -5.633
   11   2HG1  ILE   2          1HG1      ILE   2  -4.585  -4.518  -5.213
   12   1HG2  ILE   2          1HG2      ILE   2  -2.226  -2.095  -3.566
   13   2HG2  ILE   2          2HG2      ILE   2  -1.303  -3.543  -3.973
   14   3HG2  ILE   2          3HG2      ILE   2  -1.766  -3.232  -2.299
   15   1HD1  ILE   2          1HD1      ILE   2  -4.883  -2.443  -6.206
   16   2HD1  ILE   2          2HD1      ILE   2  -3.320  -1.841  -5.658
   17   3HD1  ILE   2          3HD1      ILE   2  -4.665  -1.960  -4.524
   18    HA   PRO   3           HA       PRO   3  -1.990  -6.317   0.757
   19   1HB   PRO   3          2HB       PRO   3   0.731  -6.232   0.887
   20   2HB   PRO   3          1HB       PRO   3  -0.177  -7.633   0.309
   21   1HG   PRO   3          2HG       PRO   3   1.460  -5.714  -1.203
   22   2HG   PRO   3          1HG       PRO   3   0.972  -7.359  -1.632
   23   1HD   PRO   3          2HD       PRO   3  -0.161  -4.903  -2.580
   24   2HD   PRO   3          1HD       PRO   3  -0.702  -6.557  -2.940
   25    H    SER   4           H        SER   4  -1.114  -5.162   2.632
   26    HA   SER   4           HA       SER   4  -1.473  -2.345   2.519
   27   1HB   SER   4          2HB       SER   4  -1.673  -3.818   4.574
   28   2HB   SER   4          1HB       SER   4   0.087  -3.844   4.636
   29    HG   SER   4           HG       SER   4  -0.875  -2.171   5.921
   30    H    GLY   5           H        GLY   5   0.029  -0.644   2.448
   31   1HA   GLY   5          2HA       GLY   5   2.309   0.226   2.518
   32   2HA   GLY   5          1HA       GLY   5   2.892  -1.380   2.079
   33    H    GLN   6           H        GLN   6   0.616  -1.536   0.023
   34    HA   GLN   6           HA       GLN   6   2.132  -0.220  -2.142
   35   1HB   GLN   6          2HB       GLN   6  -0.039  -2.291  -1.989
   36   2HB   GLN   6          1HB       GLN   6   0.214  -1.419  -3.499
   37   1HG   GLN   6          2HG       GLN   6   2.399  -2.876  -1.992
   38   2HG   GLN   6          1HG       GLN   6   1.521  -3.549  -3.366
   39   1HE2  GLN   6          1HE2      GLN   6   4.330  -1.885  -2.583
   40   2HE2  GLN   6          2HE2      GLN   6   4.641  -1.166  -4.088
   41    HA   PRO   7           HA       PRO   7  -0.804   3.085  -2.572
   42   1HB   PRO   7          2HB       PRO   7  -0.521   3.666  -5.217
   43   2HB   PRO   7          1HB       PRO   7   0.704   4.043  -3.999
   44   1HG   PRO   7          2HG       PRO   7   0.725   1.983  -6.101
   45   2HG   PRO   7          1HG       PRO   7   2.079   2.741  -5.255
   46   1HD   PRO   7          2HD       PRO   7   0.971   0.155  -4.765
   47   2HD   PRO   7          1HD       PRO   7   2.236   0.979  -3.826
   48    H    CYS   8           H        CYS   8  -2.928   3.500  -3.185
   49    HA   CYS   8           HA       CYS   8  -4.231   1.594  -5.068
   50   1HB   CYS   8          2HB       CYS   8  -6.187   1.496  -3.517
   51   2HB   CYS   8          1HB       CYS   8  -4.736   0.772  -2.830
   52    HA   PRO   9           HA       PRO   9  -6.194   5.312  -6.537
   53   1HB   PRO   9          2HB       PRO   9  -8.322   4.208  -7.841
   54   2HB   PRO   9          1HB       PRO   9  -6.658   4.092  -8.432
   55   1HG   PRO   9          2HG       PRO   9  -8.370   2.008  -7.264
   56   2HG   PRO   9          1HG       PRO   9  -6.939   1.847  -8.290
   57   1HD   PRO   9          2HD       PRO   9  -7.098   1.513  -5.443
   58   2HD   PRO   9          1HD       PRO   9  -5.652   1.407  -6.470
   59    H    TYR  10           H        TYR  10  -8.617   2.985  -5.277
   60    HA   TYR  10           HA       TYR  10  -9.823   5.215  -3.706
   61   1HB   TYR  10          2HB       TYR  10 -11.197   3.332  -5.618
   62   2HB   TYR  10          1HB       TYR  10 -12.080   4.045  -4.266
   63    HD1  TYR  10           1HD      TYR  10 -11.946   6.619  -3.989
   64    HD2  TYR  10           2HD      TYR  10 -10.892   4.554  -7.605
   65    HE1  TYR  10           1HE      TYR  10 -12.210   8.726  -5.270
   66    HE2  TYR  10           2HE      TYR  10 -11.158   6.661  -8.885
   67    HH   TYR  10           HH       TYR  10 -10.981   9.400  -7.972
   68    H    ASN  11           H        ASN  11 -11.229   4.347  -1.918
   69    HA   ASN  11           HA       ASN  11  -9.859   2.207  -0.525
   70   1HB   ASN  11          2HB       ASN  11 -11.071   4.247   0.488
   71   2HB   ASN  11          1HB       ASN  11 -12.554   3.326   0.238
   72   1HD2  ASN  11          1HD2      ASN  11 -12.869   3.075   2.579
   73   2HD2  ASN  11          2HD2      ASN  11 -11.896   2.018   3.482
   74    H    GLU  12           H        GLU  12 -10.370   0.770  -2.573
   75    HA   GLU  12           HA       GLU  12 -12.309  -1.208  -1.751
   76   1HB   GLU  12          2HB       GLU  12 -13.593   0.776  -2.973
   77   2HB   GLU  12          1HB       GLU  12 -13.012  -0.051  -4.418
   78   1HG   GLU  12          2HG       GLU  12 -14.219  -1.996  -3.954
   79   2HG   GLU  12          1HG       GLU  12 -14.321  -1.639  -2.230
   80    H    ASN  13           H        ASN  13  -9.488  -1.013  -2.527
   81    HA   ASN  13           HA       ASN  13  -9.477  -3.201  -4.512
   82   1HB   ASN  13          2HB       ASN  13  -8.162  -0.515  -4.935
   83   2HB   ASN  13          1HB       ASN  13  -7.565  -1.970  -5.734
   84   1HD2  ASN  13          1HD2      ASN  13  -9.683   0.600  -6.161
   85   2HD2  ASN  13          2HD2      ASN  13 -10.723  -0.101  -7.304
   86    H    CYS  14           H        CYS  14  -8.846  -2.845  -1.629
   87    HA   CYS  14           HA       CYS  14  -5.963  -3.646  -1.711
   88   1HB   CYS  14          2HB       CYS  14  -7.486  -2.172   0.458
   89   2HB   CYS  14          1HB       CYS  14  -5.836  -2.753   0.621
   90    H    CYS  15           H        CYS  15  -5.384  -5.197   0.056
   91    HA   CYS  15           HA       CYS  15  -7.226  -7.391   0.206
   92   1HB   CYS  15          2HB       CYS  15  -4.724  -6.722   1.772
   93   2HB   CYS  15          1HB       CYS  15  -5.593  -8.240   1.939
   94    H    SER  16           H        SER  16  -6.278  -4.834   2.445
   95    HA   SER  16           HA       SER  16  -8.222  -5.719   4.474
   96   1HB   SER  16          2HB       SER  16  -7.290  -4.006   5.851
   97   2HB   SER  16          1HB       SER  16  -5.934  -4.728   4.995
   98    HG   SER  16           HG       SER  16  -6.315  -2.271   5.055
   99    H    GLN  17           H        GLN  17  -8.242  -3.762   1.672
  100    HA   GLN  17           HA       GLN  17  -9.829  -2.306   0.790
  101   1HB   GLN  17          2HB       GLN  17 -11.360  -4.155   1.686
  102   2HB   GLN  17          1HB       GLN  17 -11.614  -3.120   3.090
  103   1HG   GLN  17          2HG       GLN  17 -13.321  -2.264   1.840
  104   2HG   GLN  17          1HG       GLN  17 -12.034  -1.333   1.075
  105   1HE2  GLN  17          1HE2      GLN  17 -14.661  -3.108   0.239
  106   2HE2  GLN  17          2HE2      GLN  17 -14.131  -3.764  -1.232
  107    H    SER  18           H        SER  18  -7.929  -1.500   3.000
  108    HA   SER  18           HA       SER  18  -9.446   0.922   3.902
  109   1HB   SER  18          2HB       SER  18  -8.595  -0.962   5.625
  110   2HB   SER  18          1HB       SER  18  -7.111  -0.022   5.495
  111    HG   SER  18           HG       SER  18  -9.539   0.614   6.636
  112    H    CYS  19           H        CYS  19  -8.666   2.275   2.251
  113    HA   CYS  19           HA       CYS  19  -5.785   2.369   1.665
  114   1HB   CYS  19          2HB       CYS  19  -8.229   3.781   0.613
  115   2HB   CYS  19          1HB       CYS  19  -6.624   4.417   0.257
  116    H    THR  20           H        THR  20  -4.463   3.459   3.031
  117    HA   THR  20           HA       THR  20  -5.464   6.013   4.219
  118    HB   THR  20           HB       THR  20  -3.339   4.474   5.620
  119    HG1  THR  20           1HG      THR  20  -5.019   3.278   6.683
  120   1HG2  THR  20          1HG2      THR  20  -5.784   5.830   6.746
  121   2HG2  THR  20          2HG2      THR  20  -4.358   6.750   6.268
  122   3HG2  THR  20          3HG2      THR  20  -4.236   5.531   7.537
  123    H    GLY  21           H        GLY  21  -4.234   7.735   3.627
  124   1HA   GLY  21          2HA       GLY  21  -2.375   8.984   2.910
  125   2HA   GLY  21          1HA       GLY  21  -1.357   7.628   3.401
  126    H    GLY  22           H        GLY  22  -4.001   7.212   1.138
  127   1HA   GLY  22          2HA       GLY  22  -4.016   6.804  -1.176
  128   2HA   GLY  22          1HA       GLY  22  -2.399   7.496  -1.258
  129    H    ARG  23           H        ARG  23  -2.771   4.943   1.047
  130    HA   ARG  23           HA       ARG  23  -1.837   2.916  -0.897
  131   1HB   ARG  23          2HB       ARG  23  -0.071   2.238   0.752
  132   2HB   ARG  23          1HB       ARG  23   0.214   3.815   0.023
  133   1HG   ARG  23          2HG       ARG  23  -0.593   4.952   1.984
  134   2HG   ARG  23          1HG       ARG  23  -1.181   3.443   2.684
  135   1HD   ARG  23          2HD       ARG  23   0.821   3.493   3.787
  136   2HD   ARG  23          1HD       ARG  23   1.426   2.797   2.285
  137    HE   ARG  23           HE       ARG  23   2.518   4.839   1.835
  138   1HH1  ARG  23          1HH2      ARG  23   0.122   5.275   4.346
  139   2HH1  ARG  23          2HH2      ARG  23   0.634   6.890   4.692
  140   1HH2  ARG  23          1HH1      ARG  23   3.143   6.931   2.315
  141   2HH2  ARG  23          2HH1      ARG  23   2.324   7.820   3.555
  142    H    CYS  24           H        CYS  24  -2.102   0.740  -0.088
  143    HA   CYS  24           HA       CYS  24  -4.512   0.386   1.456
  144   1HB   CYS  24          2HB       CYS  24  -2.432  -1.696   0.750
  145   2HB   CYS  24          1HB       CYS  24  -4.096  -2.002   1.228
  146    H    ASP  25           H        ASP  25  -4.750  -0.068   3.586
  147    HA   ASP  25           HA       ASP  25  -2.272  -0.339   5.235
  148   1HB   ASP  25          2HB       ASP  25  -4.772   1.268   5.621
  149   2HB   ASP  25          1HB       ASP  25  -3.917   0.664   7.037
  Start of MODEL    3
    1   1H    CYS   1          1HT       CYS   1  -4.813  -9.796  -3.673
    2   2H    CYS   1          2HT       CYS   1  -5.344  -9.274  -5.200
    3   3H    CYS   1          3HT       CYS   1  -6.451  -9.935  -4.092
    4    HA   CYS   1           HA       CYS   1  -6.391  -7.404  -4.368
    5   1HB   CYS   1          2HB       CYS   1  -6.785  -7.128  -1.906
    6   2HB   CYS   1          1HB       CYS   1  -7.672  -8.482  -2.605
    7    H    ILE   2           H        ILE   2  -5.276  -5.506  -3.683
    8    HA   ILE   2           HA       ILE   2  -2.406  -5.697  -3.692
    9    HB   ILE   2           HB       ILE   2  -4.146  -3.354  -2.859
   10   1HG1  ILE   2          2HG1      ILE   2  -2.945  -3.942  -5.579
   11   2HG1  ILE   2          1HG1      ILE   2  -4.609  -4.341  -5.155
   12   1HG2  ILE   2          1HG2      ILE   2  -1.696  -3.257  -2.263
   13   2HG2  ILE   2          2HG2      ILE   2  -2.217  -1.992  -3.375
   14   3HG2  ILE   2          3HG2      ILE   2  -1.333  -3.390  -3.984
   15   1HD1  ILE   2          1HD1      ILE   2  -3.338  -1.652  -5.515
   16   2HD1  ILE   2          2HD1      ILE   2  -4.677  -1.810  -4.378
   17   3HD1  ILE   2          3HD1      ILE   2  -4.908  -2.231  -6.075
   18    HA   PRO   3           HA       PRO   3  -1.966  -6.336   0.727
   19   1HB   PRO   3          2HB       PRO   3   0.755  -6.218   0.833
   20   2HB   PRO   3          1HB       PRO   3  -0.141  -7.612   0.218
   21   1HG   PRO   3          2HG       PRO   3   1.456  -5.623  -1.245
   22   2HG   PRO   3          1HG       PRO   3   0.983  -7.259  -1.724
   23   1HD   PRO   3          2HD       PRO   3  -0.191  -4.787  -2.579
   24   2HD   PRO   3          1HD       PRO   3  -0.715  -6.435  -2.987
   25    H    SER   4           H        SER   4  -1.121  -5.227   2.629
   26    HA   SER   4           HA       SER   4  -1.487  -2.405   2.589
   27   1HB   SER   4          2HB       SER   4  -1.787  -3.814   4.615
   28   2HB   SER   4          1HB       SER   4  -0.046  -4.078   4.668
   29    HG   SER   4           HG       SER   4  -0.544  -2.361   6.006
   30    H    GLY   5           H        GLY   5  -0.041  -0.740   2.303
   31   1HA   GLY   5          2HA       GLY   5   2.264   0.139   2.554
   32   2HA   GLY   5          1HA       GLY   5   2.849  -1.453   2.077
   33    H    GLN   6           H        GLN   6   0.622  -1.559  -0.024
   34    HA   GLN   6           HA       GLN   6   2.168  -0.160  -2.117
   35   1HB   GLN   6          2HB       GLN   6   0.028  -2.267  -2.077
   36   2HB   GLN   6          1HB       GLN   6   0.300  -1.342  -3.552
   37   1HG   GLN   6          2HG       GLN   6   2.735  -1.937  -3.399
   38   2HG   GLN   6          1HG       GLN   6   2.334  -3.006  -2.055
   39   1HE2  GLN   6          1HE2      GLN   6   0.769  -2.376  -5.253
   40   2HE2  GLN   6          2HE2      GLN   6   0.696  -4.011  -5.700
   41    HA   PRO   7           HA       PRO   7  -0.824   3.093  -2.564
   42   1HB   PRO   7          2HB       PRO   7  -0.545   3.688  -5.207
   43   2HB   PRO   7          1HB       PRO   7   0.674   4.075  -3.987
   44   1HG   PRO   7          2HG       PRO   7   0.728   2.035  -6.104
   45   2HG   PRO   7          1HG       PRO   7   2.069   2.791  -5.233
   46   1HD   PRO   7          2HD       PRO   7   0.952   0.193  -4.784
   47   2HD   PRO   7          1HD       PRO   7   2.229   0.996  -3.845
   48    H    CYS   8           H        CYS   8  -2.952   3.482  -3.185
   49    HA   CYS   8           HA       CYS   8  -4.230   1.550  -5.061
   50   1HB   CYS   8          2HB       CYS   8  -6.195   1.463  -3.516
   51   2HB   CYS   8          1HB       CYS   8  -4.742   0.752  -2.818
   52    HA   PRO   9           HA       PRO   9  -6.198   5.243  -6.591
   53   1HB   PRO   9          2HB       PRO   9  -8.268   4.099  -7.950
   54   2HB   PRO   9          1HB       PRO   9  -6.586   4.014  -8.495
   55   1HG   PRO   9          2HG       PRO   9  -8.293   1.900  -7.375
   56   2HG   PRO   9          1HG       PRO   9  -6.830   1.763  -8.358
   57   1HD   PRO   9          2HD       PRO   9  -7.067   1.430  -5.515
   58   2HD   PRO   9          1HD       PRO   9  -5.591   1.345  -6.501
   59    H    TYR  10           H        TYR  10  -8.607   2.872  -5.388
   60    HA   TYR  10           HA       TYR  10  -9.992   5.134  -4.003
   61   1HB   TYR  10          2HB       TYR  10 -11.102   2.900  -5.680
   62   2HB   TYR  10          1HB       TYR  10 -12.073   3.561  -4.364
   63    HD1  TYR  10           1HD      TYR  10 -10.782   4.109  -7.710
   64    HD2  TYR  10           2HD      TYR  10 -12.584   6.031  -4.318
   65    HE1  TYR  10           1HE      TYR  10 -11.395   6.045  -9.133
   66    HE2  TYR  10           2HE      TYR  10 -13.198   7.968  -5.741
   67    HH   TYR  10           HH       TYR  10 -13.153   7.876  -9.086
   68    H    ASN  11           H        ASN  11 -11.585   4.070  -2.283
   69    HA   ASN  11           HA       ASN  11  -9.880   2.380  -0.569
   70   1HB   ASN  11          2HB       ASN  11 -11.341   4.458   0.118
   71   2HB   ASN  11          1HB       ASN  11 -12.644   3.271   0.183
   72   1HD2  ASN  11          1HD2      ASN  11 -11.210   4.730   2.442
   73   2HD2  ASN  11          2HD2      ASN  11 -10.652   3.494   3.464
   74    H    GLU  12           H        GLU  12 -10.536   0.840  -2.676
   75    HA   GLU  12           HA       GLU  12 -12.145  -1.271  -1.476
   76   1HB   GLU  12          2HB       GLU  12 -13.710   0.490  -2.713
   77   2HB   GLU  12          1HB       GLU  12 -13.179  -0.396  -4.145
   78   1HG   GLU  12          2HG       GLU  12 -13.939  -2.504  -3.162
   79   2HG   GLU  12          1HG       GLU  12 -14.403  -1.668  -1.678
   80    H    ASN  13           H        ASN  13  -9.433  -0.816  -2.596
   81    HA   ASN  13           HA       ASN  13  -9.444  -3.094  -4.518
   82   1HB   ASN  13          2HB       ASN  13  -9.087  -0.570  -5.436
   83   2HB   ASN  13          1HB       ASN  13  -7.425  -0.963  -4.993
   84   1HD2  ASN  13          1HD2      ASN  13  -8.693  -0.717  -7.747
   85   2HD2  ASN  13          2HD2      ASN  13  -8.363  -2.197  -8.508
   86    H    CYS  14           H        CYS  14  -8.814  -2.817  -1.628
   87    HA   CYS  14           HA       CYS  14  -5.942  -3.650  -1.728
   88   1HB   CYS  14          2HB       CYS  14  -7.426  -2.175   0.467
   89   2HB   CYS  14          1HB       CYS  14  -5.779  -2.770   0.602
   90    H    CYS  15           H        CYS  15  -5.387  -5.224   0.033
   91    HA   CYS  15           HA       CYS  15  -7.262  -7.388   0.161
   92   1HB   CYS  15          2HB       CYS  15  -4.765  -6.772   1.758
   93   2HB   CYS  15          1HB       CYS  15  -5.647  -8.287   1.875
   94    H    SER  16           H        SER  16  -6.276  -4.876   2.432
   95    HA   SER  16           HA       SER  16  -8.251  -5.740   4.439
   96   1HB   SER  16          2HB       SER  16  -7.303  -4.049   5.834
   97   2HB   SER  16          1HB       SER  16  -5.951  -4.787   4.983
   98    HG   SER  16           HG       SER  16  -6.740  -2.242   4.974
   99    H    GLN  17           H        GLN  17  -8.198  -3.740   1.658
  100    HA   GLN  17           HA       GLN  17  -9.749  -2.241   0.777
  101   1HB   GLN  17          2HB       GLN  17 -11.318  -4.093   1.592
  102   2HB   GLN  17          1HB       GLN  17 -11.591  -3.093   3.019
  103   1HG   GLN  17          2HG       GLN  17 -11.965  -1.234   1.088
  104   2HG   GLN  17          1HG       GLN  17 -12.486  -2.677   0.217
  105   1HE2  GLN  17          1HE2      GLN  17 -13.901  -4.192   1.879
  106   2HE2  GLN  17          2HE2      GLN  17 -15.143  -3.341   2.665
  107    H    SER  18           H        SER  18  -7.870  -1.487   2.989
  108    HA   SER  18           HA       SER  18  -9.393   0.896   3.982
  109   1HB   SER  18          2HB       SER  18  -8.605  -0.970   5.674
  110   2HB   SER  18          1HB       SER  18  -7.032  -0.200   5.478
  111    HG   SER  18           HG       SER  18  -9.241   0.643   6.824
  112    H    CYS  19           H        CYS  19  -8.626   2.156   2.189
  113    HA   CYS  19           HA       CYS  19  -5.758   2.365   1.659
  114   1HB   CYS  19          2HB       CYS  19  -8.224   3.756   0.628
  115   2HB   CYS  19          1HB       CYS  19  -6.623   4.396   0.260
  116    H    THR  20           H        THR  20  -4.440   3.496   2.991
  117    HA   THR  20           HA       THR  20  -5.494   6.013   4.214
  118    HB   THR  20           HB       THR  20  -3.354   4.481   5.607
  119    HG1  THR  20           1HG      THR  20  -4.959   3.224   6.631
  120   1HG2  THR  20          1HG2      THR  20  -4.045   6.621   6.502
  121   2HG2  THR  20          2HG2      THR  20  -4.633   5.356   7.583
  122   3HG2  THR  20          3HG2      THR  20  -5.740   6.138   6.454
  123    H    GLY  21           H        GLY  21  -4.302   7.751   3.594
  124   1HA   GLY  21          2HA       GLY  21  -2.463   9.036   2.892
  125   2HA   GLY  21          1HA       GLY  21  -1.420   7.713   3.418
  126    H    GLY  22           H        GLY  22  -4.008   7.180   1.118
  127   1HA   GLY  22          2HA       GLY  22  -3.968   6.773  -1.198
  128   2HA   GLY  22          1HA       GLY  22  -2.354   7.476  -1.247
  129    H    ARG  23           H        ARG  23  -2.734   4.950   1.078
  130    HA   ARG  23           HA       ARG  23  -1.749   2.911  -0.829
  131   1HB   ARG  23          2HB       ARG  23  -0.023   2.259   0.886
  132   2HB   ARG  23          1HB       ARG  23   0.278   3.810   0.113
  133   1HG   ARG  23          2HG       ARG  23  -0.552   5.015   2.018
  134   2HG   ARG  23          1HG       ARG  23  -1.175   3.537   2.752
  135   1HD   ARG  23          2HD       ARG  23   1.318   2.736   2.619
  136   2HD   ARG  23          1HD       ARG  23   1.673   4.459   2.488
  137    HE   ARG  23           HE       ARG  23  -0.069   4.205   4.673
  138   1HH1  ARG  23          1HH2      ARG  23   3.094   3.022   3.762
  139   2HH1  ARG  23          2HH2      ARG  23   3.639   2.923   5.399
  140   1HH2  ARG  23          1HH1      ARG  23   0.678   4.061   6.776
  141   2HH2  ARG  23          2HH1      ARG  23   2.288   3.504   7.089
  142    H    CYS  24           H        CYS  24  -2.077   0.753  -0.074
  143    HA   CYS  24           HA       CYS  24  -4.484   0.384   1.460
  144   1HB   CYS  24          2HB       CYS  24  -2.388  -1.687   0.768
  145   2HB   CYS  24          1HB       CYS  24  -4.054  -2.004   1.235
  146    H    ASP  25           H        ASP  25  -4.743  -0.059   3.586
  147    HA   ASP  25           HA       ASP  25  -2.283  -0.323   5.263
  148   1HB   ASP  25          2HB       ASP  25  -4.810   1.249   5.628
  149   2HB   ASP  25          1HB       ASP  25  -3.963   0.647   7.050
  Start of MODEL    4
    1   1H    CYS   1          1HT       CYS   1  -5.302  -9.235  -5.289
    2   2H    CYS   1          2HT       CYS   1  -6.419  -9.891  -4.191
    3   3H    CYS   1          3HT       CYS   1  -4.779  -9.764  -3.765
    4    HA   CYS   1           HA       CYS   1  -6.329  -7.356  -4.462
    5   1HB   CYS   1          2HB       CYS   1  -6.754  -7.090  -2.002
    6   2HB   CYS   1          1HB       CYS   1  -7.649  -8.427  -2.723
    7    H    ILE   2           H        ILE   2  -5.212  -5.472  -3.722
    8    HA   ILE   2           HA       ILE   2  -2.339  -5.704  -3.689
    9    HB   ILE   2           HB       ILE   2  -4.064  -3.335  -2.898
   10   1HG1  ILE   2          2HG1      ILE   2  -2.849  -4.027  -5.592
   11   2HG1  ILE   2          1HG1      ILE   2  -4.546  -4.269  -5.179
   12   1HG2  ILE   2          1HG2      ILE   2  -1.584  -3.336  -2.287
   13   2HG2  ILE   2          2HG2      ILE   2  -2.122  -1.998  -3.301
   14   3HG2  ILE   2          3HG2      ILE   2  -1.253  -3.355  -4.019
   15   1HD1  ILE   2          1HD1      ILE   2  -4.685  -1.816  -4.627
   16   2HD1  ILE   2          2HD1      ILE   2  -4.360  -2.148  -6.327
   17   3HD1  ILE   2          3HD1      ILE   2  -3.051  -1.635  -5.262
   18    HA   PRO   3           HA       PRO   3  -1.982  -6.332   0.736
   19   1HB   PRO   3          2HB       PRO   3   0.734  -6.189   0.903
   20   2HB   PRO   3          1HB       PRO   3  -0.135  -7.589   0.263
   21   1HG   PRO   3          2HG       PRO   3   1.473  -5.577  -1.158
   22   2HG   PRO   3          1HG       PRO   3   1.032  -7.217  -1.651
   23   1HD   PRO   3          2HD       PRO   3  -0.150  -4.759  -2.530
   24   2HD   PRO   3          1HD       PRO   3  -0.650  -6.412  -2.948
   25    H    SER   4           H        SER   4  -1.188  -5.224   2.661
   26    HA   SER   4           HA       SER   4  -1.575  -2.403   2.615
   27   1HB   SER   4          2HB       SER   4  -0.175  -4.039   4.747
   28   2HB   SER   4          1HB       SER   4  -0.901  -2.449   4.959
   29    HG   SER   4           HG       SER   4  -2.065  -4.766   5.245
   30    H    GLY   5           H        GLY   5  -0.142  -0.755   2.269
   31   1HA   GLY   5          2HA       GLY   5   2.161   0.138   2.639
   32   2HA   GLY   5          1HA       GLY   5   2.762  -1.450   2.165
   33    H    GLN   6           H        GLN   6   0.601  -1.554   0.004
   34    HA   GLN   6           HA       GLN   6   2.195  -0.126  -2.034
   35   1HB   GLN   6          2HB       GLN   6   0.075  -2.252  -2.070
   36   2HB   GLN   6          1HB       GLN   6   0.376  -1.312  -3.531
   37   1HG   GLN   6          2HG       GLN   6   2.795  -1.897  -3.361
   38   2HG   GLN   6          1HG       GLN   6   2.415  -2.930  -1.983
   39   1HE2  GLN   6          1HE2      GLN   6   0.813  -2.435  -5.186
   40   2HE2  GLN   6          2HE2      GLN   6   0.782  -4.085  -5.586
   41    HA   PRO   7           HA       PRO   7  -0.808   3.102  -2.573
   42   1HB   PRO   7          2HB       PRO   7  -0.533   3.653  -5.225
   43   2HB   PRO   7          1HB       PRO   7   0.685   4.063  -4.011
   44   1HG   PRO   7          2HG       PRO   7   0.741   1.984  -6.091
   45   2HG   PRO   7          1HG       PRO   7   2.082   2.765  -5.242
   46   1HD   PRO   7          2HD       PRO   7   0.990   0.169  -4.736
   47   2HD   PRO   7          1HD       PRO   7   2.255   1.006  -3.809
   48    H    CYS   8           H        CYS   8  -2.938   3.474  -3.187
   49    HA   CYS   8           HA       CYS   8  -4.214   1.522  -5.043
   50   1HB   CYS   8          2HB       CYS   8  -6.171   1.425  -3.493
   51   2HB   CYS   8          1HB       CYS   8  -4.711   0.735  -2.790
   52    HA   PRO   9           HA       PRO   9  -6.205   5.189  -6.593
   53   1HB   PRO   9          2HB       PRO   9  -8.304   4.035  -7.899
   54   2HB   PRO   9          1HB       PRO   9  -6.631   3.935  -8.470
   55   1HG   PRO   9          2HG       PRO   9  -8.328   1.845  -7.287
   56   2HG   PRO   9          1HG       PRO   9  -6.883   1.687  -8.296
   57   1HD   PRO   9          2HD       PRO   9  -7.067   1.396  -5.446
   58   2HD   PRO   9          1HD       PRO   9  -5.609   1.297  -6.457
   59    H    TYR  10           H        TYR  10  -8.613   2.860  -5.300
   60    HA   TYR  10           HA       TYR  10  -9.920   5.150  -3.889
   61   1HB   TYR  10          2HB       TYR  10 -11.148   3.009  -5.610
   62   2HB   TYR  10          1HB       TYR  10 -12.080   3.722  -4.294
   63    HD1  TYR  10           1HD      TYR  10 -10.601   4.270  -7.592
   64    HD2  TYR  10           2HD      TYR  10 -12.579   6.156  -4.277
   65    HE1  TYR  10           1HE      TYR  10 -11.088   6.248  -9.007
   66    HE2  TYR  10           2HE      TYR  10 -13.066   8.133  -5.692
   67    HH   TYR  10           HH       TYR  10 -13.331   8.536  -8.257
   68    H    ASN  11           H        ASN  11 -11.512   4.174  -2.165
   69    HA   ASN  11           HA       ASN  11  -9.920   2.338  -0.509
   70   1HB   ASN  11          2HB       ASN  11 -11.143   4.388   0.375
   71   2HB   ASN  11          1HB       ASN  11 -12.646   3.503   0.113
   72   1HD2  ASN  11          1HD2      ASN  11 -10.728   4.290   2.595
   73   2HD2  ASN  11          2HD2      ASN  11 -10.812   2.878   3.535
   74    H    GLU  12           H        GLU  12 -10.505   0.816  -2.571
   75    HA   GLU  12           HA       GLU  12 -12.245  -1.243  -1.512
   76   1HB   GLU  12          2HB       GLU  12 -13.788   0.547  -2.628
   77   2HB   GLU  12          1HB       GLU  12 -13.182  -0.123  -4.143
   78   1HG   GLU  12          2HG       GLU  12 -13.792  -2.430  -3.038
   79   2HG   GLU  12          1HG       GLU  12 -14.846  -1.446  -2.022
   80    H    ASN  13           H        ASN  13  -9.504  -0.910  -2.513
   81    HA   ASN  13           HA       ASN  13  -9.539  -3.126  -4.490
   82   1HB   ASN  13          2HB       ASN  13  -7.961  -0.558  -4.853
   83   2HB   ASN  13          1HB       ASN  13  -7.850  -1.982  -5.887
   84   1HD2  ASN  13          1HD2      ASN  13  -9.600   0.940  -5.351
   85   2HD2  ASN  13          2HD2      ASN  13 -10.844   0.660  -6.470
   86    H    CYS  14           H        CYS  14  -8.869  -2.861  -1.617
   87    HA   CYS  14           HA       CYS  14  -5.990  -3.665  -1.757
   88   1HB   CYS  14          2HB       CYS  14  -7.460  -2.219   0.467
   89   2HB   CYS  14          1HB       CYS  14  -5.807  -2.797   0.574
   90    H    CYS  15           H        CYS  15  -5.396  -5.248  -0.019
   91    HA   CYS  15           HA       CYS  15  -7.262  -7.421   0.142
   92   1HB   CYS  15          2HB       CYS  15  -4.739  -6.806   1.698
   93   2HB   CYS  15          1HB       CYS  15  -5.611  -8.326   1.809
   94    H    SER  16           H        SER  16  -6.224  -4.913   2.395
   95    HA   SER  16           HA       SER  16  -8.126  -5.777   4.464
   96   1HB   SER  16          2HB       SER  16  -7.179  -4.035   5.798
   97   2HB   SER  16          1HB       SER  16  -5.838  -4.758   4.920
   98    HG   SER  16           HG       SER  16  -6.427  -2.260   4.953
   99    H    GLN  17           H        GLN  17  -8.187  -3.792   1.665
  100    HA   GLN  17           HA       GLN  17  -9.812  -2.372   0.796
  101   1HB   GLN  17          2HB       GLN  17 -11.321  -4.231   1.679
  102   2HB   GLN  17          1HB       GLN  17 -11.552  -3.238   3.117
  103   1HG   GLN  17          2HG       GLN  17 -13.263  -2.289   1.968
  104   2HG   GLN  17          1HG       GLN  17 -12.005  -1.423   1.088
  105   1HE2  GLN  17          1HE2      GLN  17 -14.752  -2.881   0.358
  106   2HE2  GLN  17          2HE2      GLN  17 -14.344  -3.700  -1.072
  107    H    SER  18           H        SER  18  -7.893  -1.524   2.950
  108    HA   SER  18           HA       SER  18  -9.435   0.872   3.879
  109   1HB   SER  18          2HB       SER  18  -8.640  -0.952   5.629
  110   2HB   SER  18          1HB       SER  18  -7.085  -0.148   5.438
  111    HG   SER  18           HG       SER  18  -8.979   0.610   6.991
  112    H    CYS  19           H        CYS  19  -8.681   2.264   2.257
  113    HA   CYS  19           HA       CYS  19  -5.799   2.385   1.656
  114   1HB   CYS  19          2HB       CYS  19  -8.260   3.759   0.592
  115   2HB   CYS  19          1HB       CYS  19  -6.660   4.407   0.231
  116    H    THR  20           H        THR  20  -4.466   3.568   2.922
  117    HA   THR  20           HA       THR  20  -5.500   6.118   4.081
  118    HB   THR  20           HB       THR  20  -3.483   4.497   5.579
  119    HG1  THR  20           1HG      THR  20  -5.168   3.054   5.204
  120   1HG2  THR  20          1HG2      THR  20  -5.137   5.593   7.402
  121   2HG2  THR  20          2HG2      THR  20  -5.392   6.718   6.068
  122   3HG2  THR  20          3HG2      THR  20  -3.769   6.466   6.710
  123    H    GLY  21           H        GLY  21  -4.211   7.810   3.527
  124   1HA   GLY  21          2HA       GLY  21  -2.303   9.011   2.858
  125   2HA   GLY  21          1HA       GLY  21  -1.331   7.638   3.392
  126    H    GLY  22           H        GLY  22  -3.918   7.259   1.058
  127   1HA   GLY  22          2HA       GLY  22  -3.880   6.809  -1.246
  128   2HA   GLY  22          1HA       GLY  22  -2.255   7.488  -1.298
  129    H    ARG  23           H        ARG  23  -2.714   4.965   1.027
  130    HA   ARG  23           HA       ARG  23  -1.753   2.901  -0.858
  131   1HB   ARG  23          2HB       ARG  23  -0.022   2.246   0.849
  132   2HB   ARG  23          1HB       ARG  23   0.293   3.783   0.053
  133   1HG   ARG  23          2HG       ARG  23  -0.679   4.983   1.973
  134   2HG   ARG  23          1HG       ARG  23  -1.011   3.444   2.769
  135   1HD   ARG  23          2HD       ARG  23   1.469   2.945   2.608
  136   2HD   ARG  23          1HD       ARG  23   1.696   4.614   2.085
  137    HE   ARG  23           HE       ARG  23   0.185   4.638   4.496
  138   1HH1  ARG  23          1HH2      ARG  23   3.398   3.860   3.355
  139   2HH1  ARG  23          2HH2      ARG  23   4.136   4.238   4.871
  140   1HH2  ARG  23          1HH1      ARG  23   1.182   5.116   6.439
  141   2HH2  ARG  23          2HH1      ARG  23   2.897   4.942   6.600
  142    H    CYS  24           H        CYS  24  -2.098   0.753  -0.071
  143    HA   CYS  24           HA       CYS  24  -4.495   0.450   1.506
  144   1HB   CYS  24          2HB       CYS  24  -2.477  -1.692   0.795
  145   2HB   CYS  24          1HB       CYS  24  -4.155  -1.940   1.257
  146    H    ASP  25           H        ASP  25  -4.708   0.029   3.645
  147    HA   ASP  25           HA       ASP  25  -2.208  -0.212   5.262
  148   1HB   ASP  25          2HB       ASP  25  -4.828   1.168   5.732
  149   2HB   ASP  25          1HB       ASP  25  -3.909   0.580   7.114
  Start of MODEL    5
    1   1H    CYS   1          1HT       CYS   1  -5.160  -9.389  -5.163
    2   2H    CYS   1          2HT       CYS   1  -6.349 -10.021  -4.128
    3   3H    CYS   1          3HT       CYS   1  -4.738  -9.902  -3.603
    4    HA   CYS   1           HA       CYS   1  -6.273  -7.509  -4.404
    5   1HB   CYS   1          2HB       CYS   1  -6.722  -7.191  -1.956
    6   2HB   CYS   1          1HB       CYS   1  -7.589  -8.558  -2.650
    7    H    ILE   2           H        ILE   2  -5.178  -5.595  -3.720
    8    HA   ILE   2           HA       ILE   2  -2.309  -5.784  -3.667
    9    HB   ILE   2           HB       ILE   2  -4.067  -3.425  -2.920
   10   1HG1  ILE   2          2HG1      ILE   2  -2.795  -4.045  -5.598
   11   2HG1  ILE   2          1HG1      ILE   2  -4.458  -4.482  -5.209
   12   1HG2  ILE   2          1HG2      ILE   2  -1.569  -3.411  -2.315
   13   2HG2  ILE   2          2HG2      ILE   2  -2.148  -2.069  -3.301
   14   3HG2  ILE   2          3HG2      ILE   2  -1.263  -3.397  -4.051
   15   1HD1  ILE   2          1HD1      ILE   2  -4.567  -1.925  -4.457
   16   2HD1  ILE   2          2HD1      ILE   2  -4.829  -2.401  -6.135
   17   3HD1  ILE   2          3HD1      ILE   2  -3.258  -1.780  -5.631
   18    HA   PRO   3           HA       PRO   3  -1.952  -6.336   0.770
   19   1HB   PRO   3          2HB       PRO   3   0.766  -6.206   0.926
   20   2HB   PRO   3          1HB       PRO   3  -0.113  -7.613   0.318
   21   1HG   PRO   3          2HG       PRO   3   1.505  -5.643  -1.149
   22   2HG   PRO   3          1HG       PRO   3   1.045  -7.287  -1.610
   23   1HD   PRO   3          2HD       PRO   3  -0.119  -4.832  -2.524
   24   2HD   PRO   3          1HD       PRO   3  -0.627  -6.488  -2.919
   25    H    SER   4           H        SER   4  -1.139  -5.198   2.671
   26    HA   SER   4           HA       SER   4  -1.519  -2.378   2.584
   27   1HB   SER   4          2HB       SER   4  -0.310  -4.201   4.669
   28   2HB   SER   4          1HB       SER   4  -0.506  -2.469   4.928
   29    HG   SER   4           HG       SER   4  -2.561  -4.308   4.238
   30    H    GLY   5           H        GLY   5  -0.084  -0.721   2.260
   31   1HA   GLY   5          2HA       GLY   5   2.222   0.170   2.561
   32   2HA   GLY   5          1HA       GLY   5   2.816  -1.424   2.094
   33    H    GLN   6           H        GLN   6   0.619  -1.554  -0.027
   34    HA   GLN   6           HA       GLN   6   2.171  -0.146  -2.110
   35   1HB   GLN   6          2HB       GLN   6   0.053  -2.274  -2.082
   36   2HB   GLN   6          1HB       GLN   6   0.327  -1.351  -3.558
   37   1HG   GLN   6          2HG       GLN   6   2.773  -1.919  -3.369
   38   2HG   GLN   6          1HG       GLN   6   2.355  -3.003  -2.041
   39   1HE2  GLN   6          1HE2      GLN   6   2.778  -5.008  -3.116
   40   2HE2  GLN   6          2HE2      GLN   6   1.909  -5.524  -4.479
   41    HA   PRO   7           HA       PRO   7  -0.844   3.079  -2.592
   42   1HB   PRO   7          2HB       PRO   7  -0.569   3.659  -5.237
   43   2HB   PRO   7          1HB       PRO   7   0.645   4.065  -4.017
   44   1HG   PRO   7          2HG       PRO   7   0.718   2.008  -6.119
   45   2HG   PRO   7          1HG       PRO   7   2.052   2.785  -5.258
   46   1HD   PRO   7          2HD       PRO   7   0.970   0.179  -4.784
   47   2HD   PRO   7          1HD       PRO   7   2.231   1.011  -3.848
   48    H    CYS   8           H        CYS   8  -2.975   3.447  -3.206
   49    HA   CYS   8           HA       CYS   8  -4.240   1.491  -5.069
   50   1HB   CYS   8          2HB       CYS   8  -6.205   1.405  -3.530
   51   2HB   CYS   8          1HB       CYS   8  -4.751   0.717  -2.814
   52    HA   PRO   9           HA       PRO   9  -6.276   5.125  -6.638
   53   1HB   PRO   9          2HB       PRO   9  -8.469   3.981  -7.792
   54   2HB   PRO   9          1HB       PRO   9  -6.832   3.815  -8.446
   55   1HG   PRO   9          2HG       PRO   9  -8.514   1.818  -7.093
   56   2HG   PRO   9          1HG       PRO   9  -7.138   1.584  -8.179
   57   1HD   PRO   9          2HD       PRO   9  -7.153   1.387  -5.319
   58   2HD   PRO   9          1HD       PRO   9  -5.758   1.231  -6.409
   59    H    TYR  10           H        TYR  10  -8.779   2.922  -5.307
   60    HA   TYR  10           HA       TYR  10  -9.861   5.237  -3.755
   61   1HB   TYR  10          2HB       TYR  10 -11.319   3.254  -5.496
   62   2HB   TYR  10          1HB       TYR  10 -12.142   4.055  -4.157
   63    HD1  TYR  10           1HD      TYR  10 -10.561   4.509  -7.446
   64    HD2  TYR  10           2HD      TYR  10 -12.505   6.479  -4.161
   65    HE1  TYR  10           1HE      TYR  10 -10.864   6.536  -8.842
   66    HE2  TYR  10           2HE      TYR  10 -12.808   8.507  -5.557
   67    HH   TYR  10           HH       TYR  10 -12.717   8.598  -8.707
   68    H    ASN  11           H        ASN  11 -11.474   4.303  -2.026
   69    HA   ASN  11           HA       ASN  11  -9.969   2.357  -0.454
   70   1HB   ASN  11          2HB       ASN  11 -11.541   4.449   0.232
   71   2HB   ASN  11          1HB       ASN  11 -12.704   3.133   0.393
   72   1HD2  ASN  11          1HD2      ASN  11 -11.425   4.726   2.588
   73   2HD2  ASN  11          2HD2      ASN  11 -10.618   3.595   3.563
   74    H    GLU  12           H        GLU  12 -10.432   0.845  -2.498
   75    HA   GLU  12           HA       GLU  12 -12.205  -1.233  -1.581
   76   1HB   GLU  12          2HB       GLU  12 -13.738   0.585  -2.677
   77   2HB   GLU  12          1HB       GLU  12 -13.103  -0.047  -4.196
   78   1HG   GLU  12          2HG       GLU  12 -13.862  -2.296  -3.624
   79   2HG   GLU  12          1HG       GLU  12 -14.412  -1.735  -2.044
   80    H    ASN  13           H        ASN  13  -9.452  -0.896  -2.473
   81    HA   ASN  13           HA       ASN  13  -9.426  -3.033  -4.530
   82   1HB   ASN  13          2HB       ASN  13  -7.804  -0.483  -4.797
   83   2HB   ASN  13          1HB       ASN  13  -7.776  -1.858  -5.902
   84   1HD2  ASN  13          1HD2      ASN  13  -9.567   1.009  -4.975
   85   2HD2  ASN  13          2HD2      ASN  13 -10.770   0.878  -6.165
   86    H    CYS  14           H        CYS  14  -8.808  -2.825  -1.635
   87    HA   CYS  14           HA       CYS  14  -5.931  -3.635  -1.750
   88   1HB   CYS  14          2HB       CYS  14  -7.420  -2.176   0.453
   89   2HB   CYS  14          1HB       CYS  14  -5.784  -2.796   0.608
   90    H    CYS  15           H        CYS  15  -5.377  -5.218   0.035
   91    HA   CYS  15           HA       CYS  15  -7.231  -7.403   0.097
   92   1HB   CYS  15          2HB       CYS  15  -4.778  -6.770   1.751
   93   2HB   CYS  15          1HB       CYS  15  -5.658  -8.285   1.872
   94    H    SER  16           H        SER  16  -6.349  -4.896   2.419
   95    HA   SER  16           HA       SER  16  -8.398  -5.803   4.339
   96   1HB   SER  16          2HB       SER  16  -7.480  -4.167   5.815
   97   2HB   SER  16          1HB       SER  16  -6.108  -4.899   4.996
   98    HG   SER  16           HG       SER  16  -5.676  -3.019   4.169
   99    H    GLN  17           H        GLN  17  -8.258  -3.785   1.593
  100    HA   GLN  17           HA       GLN  17  -9.764  -2.253   0.694
  101   1HB   GLN  17          2HB       GLN  17 -11.413  -4.029   1.442
  102   2HB   GLN  17          1HB       GLN  17 -11.628  -3.102   2.927
  103   1HG   GLN  17          2HG       GLN  17 -12.776  -1.419   1.873
  104   2HG   GLN  17          1HG       GLN  17 -11.857  -1.588   0.377
  105   1HE2  GLN  17          1HE2      GLN  17 -14.447  -3.180   2.291
  106   2HE2  GLN  17          2HE2      GLN  17 -15.182  -3.930   0.958
  107    H    SER  18           H        SER  18  -7.906  -1.570   2.984
  108    HA   SER  18           HA       SER  18  -9.383   0.853   3.951
  109   1HB   SER  18          2HB       SER  18  -8.356  -1.124   5.542
  110   2HB   SER  18          1HB       SER  18  -6.997  -0.008   5.473
  111    HG   SER  18           HG       SER  18  -9.522   0.288   6.588
  112    H    CYS  19           H        CYS  19  -8.667   2.217   2.264
  113    HA   CYS  19           HA       CYS  19  -5.794   2.371   1.641
  114   1HB   CYS  19          2HB       CYS  19  -8.278   3.712   0.591
  115   2HB   CYS  19          1HB       CYS  19  -6.690   4.378   0.213
  116    H    THR  20           H        THR  20  -4.504   3.487   3.016
  117    HA   THR  20           HA       THR  20  -5.536   6.060   4.129
  118    HB   THR  20           HB       THR  20  -3.476   4.532   5.638
  119    HG1  THR  20           1HG      THR  20  -5.156   3.349   6.655
  120   1HG2  THR  20          1HG2      THR  20  -4.623   6.858   6.125
  121   2HG2  THR  20          2HG2      THR  20  -4.291   5.738   7.446
  122   3HG2  THR  20          3HG2      THR  20  -5.916   5.847   6.770
  123    H    GLY  21           H        GLY  21  -4.271   7.758   3.532
  124   1HA   GLY  21          2HA       GLY  21  -2.368   8.974   2.872
  125   2HA   GLY  21          1HA       GLY  21  -1.386   7.608   3.403
  126    H    GLY  22           H        GLY  22  -3.970   7.194   1.075
  127   1HA   GLY  22          2HA       GLY  22  -3.927   6.765  -1.234
  128   2HA   GLY  22          1HA       GLY  22  -2.303   7.443  -1.279
  129    H    ARG  23           H        ARG  23  -2.627   4.952   1.065
  130    HA   ARG  23           HA       ARG  23  -1.750   2.875  -0.855
  131   1HB   ARG  23          2HB       ARG  23   0.025   2.221   0.825
  132   2HB   ARG  23          1HB       ARG  23   0.328   3.733  -0.020
  133   1HG   ARG  23          2HG       ARG  23  -0.771   4.910   1.955
  134   2HG   ARG  23          1HG       ARG  23  -0.698   3.364   2.802
  135   1HD   ARG  23          2HD       ARG  23   1.349   4.132   3.466
  136   2HD   ARG  23          1HD       ARG  23   1.857   3.536   1.885
  137    HE   ARG  23           HE       ARG  23   0.948   6.163   1.470
  138   1HH1  ARG  23          1HH2      ARG  23   3.447   4.559   3.317
  139   2HH1  ARG  23          2HH2      ARG  23   4.508   5.921   3.254
  140   1HH2  ARG  23          1HH1      ARG  23   2.353   7.903   1.414
  141   2HH2  ARG  23          2HH1      ARG  23   3.898   7.796   2.190
  142    H    CYS  24           H        CYS  24  -2.095   0.736  -0.084
  143    HA   CYS  24           HA       CYS  24  -4.449   0.401   1.523
  144   1HB   CYS  24          2HB       CYS  24  -2.387  -1.716   0.870
  145   2HB   CYS  24          1HB       CYS  24  -4.068  -1.982   1.314
  146    H    ASP  25           H        ASP  25  -4.662   0.061   3.666
  147    HA   ASP  25           HA       ASP  25  -2.173  -0.222   5.296
  148   1HB   ASP  25          2HB       ASP  25  -4.660   1.408   5.677
  149   2HB   ASP  25          1HB       ASP  25  -3.795   0.824   7.096
  Start of MODEL    6
    1   1H    CYS   1          1HT       CYS   1  -6.685  -9.942  -3.992
    2   2H    CYS   1          2HT       CYS   1  -5.009  -9.797  -3.753
    3   3H    CYS   1          3HT       CYS   1  -5.712  -9.274  -5.209
    4    HA   CYS   1           HA       CYS   1  -6.595  -7.385  -4.296
    5   1HB   CYS   1          2HB       CYS   1  -6.904  -7.143  -1.822
    6   2HB   CYS   1          1HB       CYS   1  -7.841  -8.470  -2.508
    7    H    ILE   2           H        ILE   2  -5.398  -5.530  -3.643
    8    HA   ILE   2           HA       ILE   2  -2.535  -5.814  -3.740
    9    HB   ILE   2           HB       ILE   2  -4.178  -3.418  -2.860
   10   1HG1  ILE   2          2HG1      ILE   2  -3.097  -4.111  -5.610
   11   2HG1  ILE   2          1HG1      ILE   2  -4.777  -4.342  -5.122
   12   1HG2  ILE   2          1HG2      ILE   2  -2.244  -2.112  -3.300
   13   2HG2  ILE   2          2HG2      ILE   2  -1.440  -3.440  -4.138
   14   3HG2  ILE   2          3HG2      ILE   2  -1.651  -3.500  -2.388
   15   1HD1  ILE   2          1HD1      ILE   2  -4.993  -2.229  -5.992
   16   2HD1  ILE   2          2HD1      ILE   2  -3.301  -1.825  -5.702
   17   3HD1  ILE   2          3HD1      ILE   2  -4.459  -1.771  -4.374
   18    HA   PRO   3           HA       PRO   3  -1.958  -6.452   0.661
   19   1HB   PRO   3          2HB       PRO   3   0.766  -6.352   0.685
   20   2HB   PRO   3          1HB       PRO   3  -0.158  -7.737   0.094
   21   1HG   PRO   3          2HG       PRO   3   1.405  -5.754  -1.413
   22   2HG   PRO   3          1HG       PRO   3   0.911  -7.386  -1.881
   23   1HD   PRO   3          2HD       PRO   3  -0.274  -4.909  -2.697
   24   2HD   PRO   3          1HD       PRO   3  -0.822  -6.554  -3.088
   25    H    SER   4           H        SER   4  -1.048  -5.358   2.542
   26    HA   SER   4           HA       SER   4  -1.401  -2.535   2.531
   27   1HB   SER   4          2HB       SER   4  -1.691  -3.727   4.599
   28   2HB   SER   4          1HB       SER   4  -0.062  -4.390   4.514
   29    HG   SER   4           HG       SER   4   0.741  -2.525   5.161
   30    H    GLY   5           H        GLY   5   0.096  -0.842   2.451
   31   1HA   GLY   5          2HA       GLY   5   2.373   0.032   2.510
   32   2HA   GLY   5          1HA       GLY   5   2.957  -1.566   2.052
   33    H    GLN   6           H        GLN   6   0.606  -1.628   0.014
   34    HA   GLN   6           HA       GLN   6   2.159  -0.360  -2.155
   35   1HB   GLN   6          2HB       GLN   6  -0.105  -2.324  -1.997
   36   2HB   GLN   6          1HB       GLN   6   0.163  -1.444  -3.499
   37   1HG   GLN   6          2HG       GLN   6   2.306  -3.017  -2.049
   38   2HG   GLN   6          1HG       GLN   6   1.370  -3.638  -3.409
   39   1HE2  GLN   6          1HE2      GLN   6   4.282  -2.161  -2.696
   40   2HE2  GLN   6          2HE2      GLN   6   4.586  -1.421  -4.193
   41    HA   PRO   7           HA       PRO   7  -0.628   3.070  -2.581
   42   1HB   PRO   7          2HB       PRO   7  -0.520   3.529  -5.263
   43   2HB   PRO   7          1HB       PRO   7   0.816   3.879  -4.158
   44   1HG   PRO   7          2HG       PRO   7   0.554   1.741  -6.165
   45   2HG   PRO   7          1HG       PRO   7   2.011   2.449  -5.457
   46   1HD   PRO   7          2HD       PRO   7   0.799  -0.046  -4.773
   47   2HD   PRO   7          1HD       PRO   7   2.178   0.736  -3.969
   48    H    CYS   8           H        CYS   8  -2.761   3.584  -3.039
   49    HA   CYS   8           HA       CYS   8  -4.323   1.837  -4.841
   50   1HB   CYS   8          2HB       CYS   8  -6.109   1.658  -3.040
   51   2HB   CYS   8          1HB       CYS   8  -4.660   0.701  -2.760
   52    HA   PRO   9           HA       PRO   9  -6.141   5.877  -5.565
   53   1HB   PRO   9          2HB       PRO   9  -7.987   5.101  -7.418
   54   2HB   PRO   9          1HB       PRO   9  -6.258   5.235  -7.770
   55   1HG   PRO   9          2HG       PRO   9  -7.923   2.830  -7.486
   56   2HG   PRO   9          1HG       PRO   9  -6.371   3.035  -8.307
   57   1HD   PRO   9          2HD       PRO   9  -6.838   1.881  -5.724
   58   2HD   PRO   9          1HD       PRO   9  -5.276   2.157  -6.525
   59    H    TYR  10           H        TYR  10  -8.640   3.297  -5.593
   60    HA   TYR  10           HA       TYR  10 -10.429   5.077  -4.030
   61   1HB   TYR  10          2HB       TYR  10 -10.800   2.706  -5.804
   62   2HB   TYR  10          1HB       TYR  10 -11.965   2.929  -4.498
   63    HD1  TYR  10           1HD      TYR  10 -11.212   3.779  -7.830
   64    HD2  TYR  10           2HD      TYR  10 -12.817   5.446  -4.211
   65    HE1  TYR  10           1HE      TYR  10 -12.356   5.542  -9.148
   66    HE2  TYR  10           2HE      TYR  10 -13.960   7.210  -5.530
   67    HH   TYR  10           HH       TYR  10 -13.684   8.316  -7.744
   68    H    ASN  11           H        ASN  11 -11.909   3.552  -2.490
   69    HA   ASN  11           HA       ASN  11  -9.967   2.272  -0.629
   70   1HB   ASN  11          2HB       ASN  11 -11.474   4.146   0.170
   71   2HB   ASN  11          1HB       ASN  11 -12.840   3.057  -0.079
   72   1HD2  ASN  11          1HD2      ASN  11 -13.278   2.998   2.259
   73   2HD2  ASN  11          2HD2      ASN  11 -12.272   2.121   3.310
   74    H    GLU  12           H        GLU  12 -10.856   0.858  -2.986
   75    HA   GLU  12           HA       GLU  12 -12.097  -1.480  -1.647
   76   1HB   GLU  12          2HB       GLU  12 -13.762   0.099  -3.008
   77   2HB   GLU  12          1HB       GLU  12 -13.104  -0.798  -4.377
   78   1HG   GLU  12          2HG       GLU  12 -13.563  -2.871  -2.752
   79   2HG   GLU  12          1HG       GLU  12 -14.777  -1.767  -2.103
   80    H    ASN  13           H        ASN  13  -9.399  -0.769  -2.706
   81    HA   ASN  13           HA       ASN  13  -9.147  -3.039  -4.635
   82   1HB   ASN  13          2HB       ASN  13  -8.183  -0.232  -4.869
   83   2HB   ASN  13          1HB       ASN  13  -7.065  -1.495  -5.387
   84   1HD2  ASN  13          1HD2      ASN  13 -10.421  -0.318  -5.899
   85   2HD2  ASN  13          2HD2      ASN  13 -10.563  -0.944  -7.471
   86    H    CYS  14           H        CYS  14  -8.744  -2.777  -1.662
   87    HA   CYS  14           HA       CYS  14  -5.866  -3.582  -1.588
   88   1HB   CYS  14          2HB       CYS  14  -7.480  -2.168   0.556
   89   2HB   CYS  14          1HB       CYS  14  -5.817  -2.708   0.728
   90    H    CYS  15           H        CYS  15  -5.396  -5.211   0.105
   91    HA   CYS  15           HA       CYS  15  -7.310  -7.348   0.146
   92   1HB   CYS  15          2HB       CYS  15  -4.798  -6.813   1.744
   93   2HB   CYS  15          1HB       CYS  15  -5.727  -8.296   1.889
   94    H    SER  16           H        SER  16  -6.338  -4.889   2.483
   95    HA   SER  16           HA       SER  16  -8.364  -5.811   4.427
   96   1HB   SER  16          2HB       SER  16  -7.361  -4.259   5.942
   97   2HB   SER  16          1HB       SER  16  -6.035  -5.028   5.078
   98    HG   SER  16           HG       SER  16  -5.747  -3.219   3.898
   99    H    GLN  17           H        GLN  17  -8.305  -3.778   1.725
  100    HA   GLN  17           HA       GLN  17  -9.786  -2.162   0.934
  101   1HB   GLN  17          2HB       GLN  17 -11.452  -3.879   1.795
  102   2HB   GLN  17          1HB       GLN  17 -11.546  -2.925   3.275
  103   1HG   GLN  17          2HG       GLN  17 -12.519  -1.092   2.188
  104   2HG   GLN  17          1HG       GLN  17 -11.933  -1.601   0.603
  105   1HE2  GLN  17          1HE2      GLN  17 -12.936  -3.734  -0.230
  106   2HE2  GLN  17          2HE2      GLN  17 -14.564  -4.029   0.152
  107    H    SER  18           H        SER  18  -7.801  -1.633   3.235
  108    HA   SER  18           HA       SER  18  -9.132   0.785   4.375
  109   1HB   SER  18          2HB       SER  18  -7.954  -1.084   5.818
  110   2HB   SER  18          1HB       SER  18  -6.479  -0.256   5.327
  111    HG   SER  18           HG       SER  18  -8.578   0.597   6.952
  112    H    CYS  19           H        CYS  19  -8.621   1.419   1.935
  113    HA   CYS  19           HA       CYS  19  -5.897   2.116   1.277
  114   1HB   CYS  19          2HB       CYS  19  -7.740   1.811  -0.403
  115   2HB   CYS  19          1HB       CYS  19  -8.465   3.308   0.181
  116    H    THR  20           H        THR  20  -4.860   3.490   2.680
  117    HA   THR  20           HA       THR  20  -6.069   6.179   3.075
  118    HB   THR  20           HB       THR  20  -4.631   4.818   5.333
  119    HG1  THR  20           1HG      THR  20  -6.804   4.335   6.091
  120   1HG2  THR  20          1HG2      THR  20  -5.055   7.290   5.330
  121   2HG2  THR  20          2HG2      THR  20  -5.826   6.445   6.673
  122   3HG2  THR  20          3HG2      THR  20  -6.784   6.945   5.281
  123    H    GLY  21           H        GLY  21  -4.496   7.849   3.313
  124   1HA   GLY  21          2HA       GLY  21  -2.416   8.881   2.967
  125   2HA   GLY  21          1HA       GLY  21  -1.683   7.398   3.580
  126    H    GLY  22           H        GLY  22  -3.828   7.391   0.807
  127   1HA   GLY  22          2HA       GLY  22  -3.423   6.984  -1.467
  128   2HA   GLY  22          1HA       GLY  22  -1.782   7.576  -1.215
  129    H    ARG  23           H        ARG  23  -2.539   5.055   0.965
  130    HA   ARG  23           HA       ARG  23  -1.605   2.936  -0.862
  131   1HB   ARG  23          2HB       ARG  23   0.087   2.246   0.853
  132   2HB   ARG  23          1HB       ARG  23   0.457   3.783   0.082
  133   1HG   ARG  23          2HG       ARG  23  -0.493   4.993   1.995
  134   2HG   ARG  23          1HG       ARG  23  -0.923   3.464   2.763
  135   1HD   ARG  23          2HD       ARG  23   1.622   2.907   2.476
  136   2HD   ARG  23          1HD       ARG  23   1.803   4.655   2.321
  137    HE   ARG  23           HE       ARG  23   0.270   4.360   4.605
  138   1HH1  ARG  23          1HH2      ARG  23   3.335   3.067   3.522
  139   2HH1  ARG  23          2HH2      ARG  23   3.959   2.933   5.130
  140   1HH2  ARG  23          1HH1      ARG  23   1.119   4.169   6.666
  141   2HH2  ARG  23          2HH1      ARG  23   2.721   3.549   6.891
  142    H    CYS  24           H        CYS  24  -1.990   0.801   0.041
  143    HA   CYS  24           HA       CYS  24  -4.449   0.642   1.543
  144   1HB   CYS  24          2HB       CYS  24  -2.463  -1.566   0.954
  145   2HB   CYS  24          1HB       CYS  24  -4.143  -1.777   1.437
  146    H    ASP  25           H        ASP  25  -4.751   0.255   3.688
  147    HA   ASP  25           HA       ASP  25  -2.326   0.288   5.419
  148   1HB   ASP  25          2HB       ASP  25  -5.167   1.186   5.770
  149   2HB   ASP  25          1HB       ASP  25  -4.219   0.760   7.191
  Start of MODEL    7
    1   1H    CYS   1          1HT       CYS   1  -6.182 -10.079  -4.013
    2   2H    CYS   1          2HT       CYS   1  -4.602  -9.910  -3.411
    3   3H    CYS   1          3HT       CYS   1  -4.962  -9.438  -5.003
    4    HA   CYS   1           HA       CYS   1  -6.203  -7.590  -4.314
    5   1HB   CYS   1          2HB       CYS   1  -6.660  -7.218  -1.876
    6   2HB   CYS   1          1HB       CYS   1  -7.469  -8.644  -2.524
    7    H    ILE   2           H        ILE   2  -5.193  -5.608  -3.670
    8    HA   ILE   2           HA       ILE   2  -2.324  -5.650  -3.653
    9    HB   ILE   2           HB       ILE   2  -4.182  -3.394  -2.831
   10   1HG1  ILE   2          2HG1      ILE   2  -2.961  -4.001  -5.543
   11   2HG1  ILE   2          1HG1      ILE   2  -4.634  -4.354  -5.110
   12   1HG2  ILE   2          1HG2      ILE   2  -1.877  -2.973  -2.168
   13   2HG2  ILE   2          2HG2      ILE   2  -2.251  -1.981  -3.577
   14   3HG2  ILE   2          3HG2      ILE   2  -1.295  -3.452  -3.763
   15   1HD1  ILE   2          1HD1      ILE   2  -4.524  -1.763  -4.358
   16   2HD1  ILE   2          2HD1      ILE   2  -4.984  -2.264  -5.985
   17   3HD1  ILE   2          3HD1      ILE   2  -3.332  -1.739  -5.659
   18    HA   PRO   3           HA       PRO   3  -1.963  -6.318   0.783
   19   1HB   PRO   3          2HB       PRO   3   0.759  -6.351   0.892
   20   2HB   PRO   3          1HB       PRO   3  -0.211  -7.703   0.301
   21   1HG   PRO   3          2HG       PRO   3   1.493  -5.832  -1.196
   22   2HG   PRO   3          1HG       PRO   3   0.934  -7.449  -1.644
   23   1HD   PRO   3          2HD       PRO   3  -0.103  -4.937  -2.551
   24   2HD   PRO   3          1HD       PRO   3  -0.718  -6.562  -2.924
   25    H    SER   4           H        SER   4  -1.017  -5.235   2.664
   26    HA   SER   4           HA       SER   4  -1.296  -2.417   2.645
   27   1HB   SER   4          2HB       SER   4   0.400  -3.874   4.663
   28   2HB   SER   4          1HB       SER   4  -0.640  -2.475   4.912
   29    HG   SER   4           HG       SER   4  -1.239  -5.040   5.179
   30    H    GLY   5           H        GLY   5   0.160  -0.757   2.322
   31   1HA   GLY   5          2HA       GLY   5   2.468   0.106   2.403
   32   2HA   GLY   5          1HA       GLY   5   3.023  -1.495   1.923
   33    H    GLN   6           H        GLN   6   0.645  -1.556  -0.056
   34    HA   GLN   6           HA       GLN   6   2.122  -0.200  -2.236
   35   1HB   GLN   6          2HB       GLN   6   0.016  -2.336  -2.084
   36   2HB   GLN   6          1HB       GLN   6   0.211  -1.426  -3.580
   37   1HG   GLN   6          2HG       GLN   6   2.469  -2.848  -2.147
   38   2HG   GLN   6          1HG       GLN   6   1.585  -3.516  -3.520
   39   1HE2  GLN   6          1HE2      GLN   6   4.056  -1.219  -2.577
   40   2HE2  GLN   6          2HE2      GLN   6   4.442  -0.695  -4.145
   41    HA   PRO   7           HA       PRO   7  -0.904   3.038  -2.531
   42   1HB   PRO   7          2HB       PRO   7  -0.612   3.732  -5.147
   43   2HB   PRO   7          1HB       PRO   7   0.586   4.101  -3.900
   44   1HG   PRO   7          2HG       PRO   7   0.698   2.125  -6.080
   45   2HG   PRO   7          1HG       PRO   7   2.017   2.900  -5.192
   46   1HD   PRO   7          2HD       PRO   7   1.004   0.258  -4.811
   47   2HD   PRO   7          1HD       PRO   7   2.222   1.094  -3.822
   48    H    CYS   8           H        CYS   8  -3.036   3.393  -3.147
   49    HA   CYS   8           HA       CYS   8  -4.252   1.424  -5.042
   50   1HB   CYS   8          2HB       CYS   8  -6.277   1.436  -3.571
   51   2HB   CYS   8          1HB       CYS   8  -4.859   0.743  -2.787
   52    HA   PRO   9           HA       PRO   9  -6.171   5.007  -6.850
   53   1HB   PRO   9          2HB       PRO   9  -8.319   3.829  -8.053
   54   2HB   PRO   9          1HB       PRO   9  -6.656   3.633  -8.625
   55   1HG   PRO   9          2HG       PRO   9  -8.407   1.696  -7.268
   56   2HG   PRO   9          1HG       PRO   9  -6.991   1.413  -8.289
   57   1HD   PRO   9          2HD       PRO   9  -7.120   1.319  -5.430
   58   2HD   PRO   9          1HD       PRO   9  -5.680   1.130  -6.455
   59    H    TYR  10           H        TYR  10  -8.315   2.911  -4.935
   60    HA   TYR  10           HA       TYR  10  -9.579   5.293  -3.750
   61   1HB   TYR  10          2HB       TYR  10 -11.037   3.317  -5.501
   62   2HB   TYR  10          1HB       TYR  10 -11.882   4.165  -4.206
   63    HD1  TYR  10           1HD      TYR  10 -11.430   6.786  -4.112
   64    HD2  TYR  10           2HD      TYR  10 -10.930   4.328  -7.600
   65    HE1  TYR  10           1HE      TYR  10 -11.634   8.793  -5.555
   66    HE2  TYR  10           2HE      TYR  10 -11.134   6.334  -9.042
   67    HH   TYR  10           HH       TYR  10 -12.258   9.325  -7.883
   68    H    ASN  11           H        ASN  11 -11.346   4.398  -2.101
   69    HA   ASN  11           HA       ASN  11  -9.939   2.460  -0.412
   70   1HB   ASN  11          2HB       ASN  11 -11.402   4.605   0.219
   71   2HB   ASN  11          1HB       ASN  11 -12.692   3.402   0.249
   72   1HD2  ASN  11          1HD2      ASN  11 -11.616   4.774   2.617
   73   2HD2  ASN  11          2HD2      ASN  11 -10.942   3.576   3.614
   74    H    GLU  12           H        GLU  12 -10.394   0.951  -2.488
   75    HA   GLU  12           HA       GLU  12 -12.235  -1.078  -1.596
   76   1HB   GLU  12          2HB       GLU  12 -13.638   0.841  -2.795
   77   2HB   GLU  12          1HB       GLU  12 -13.079   0.015  -4.250
   78   1HG   GLU  12          2HG       GLU  12 -14.095  -2.039  -3.600
   79   2HG   GLU  12          1HG       GLU  12 -14.357  -1.473  -1.950
   80    H    ASN  13           H        ASN  13  -9.458  -0.813  -2.446
   81    HA   ASN  13           HA       ASN  13  -9.442  -2.977  -4.462
   82   1HB   ASN  13          2HB       ASN  13  -8.365  -0.219  -4.889
   83   2HB   ASN  13          1HB       ASN  13  -7.438  -1.577  -5.527
   84   1HD2  ASN  13          1HD2      ASN  13  -8.295  -2.714  -7.350
   85   2HD2  ASN  13          2HD2      ASN  13  -9.729  -2.257  -8.133
   86    H    CYS  14           H        CYS  14  -8.838  -2.810  -1.615
   87    HA   CYS  14           HA       CYS  14  -5.929  -3.512  -1.703
   88   1HB   CYS  14          2HB       CYS  14  -7.505  -2.031   0.412
   89   2HB   CYS  14          1HB       CYS  14  -5.947  -2.772   0.747
   90    H    CYS  15           H        CYS  15  -5.355  -5.046   0.154
   91    HA   CYS  15           HA       CYS  15  -7.110  -7.323   0.124
   92   1HB   CYS  15          2HB       CYS  15  -4.702  -6.585   1.795
   93   2HB   CYS  15          1HB       CYS  15  -5.542  -8.117   1.974
   94    H    SER  16           H        SER  16  -6.448  -4.746   2.433
   95    HA   SER  16           HA       SER  16  -8.488  -5.782   4.309
   96   1HB   SER  16          2HB       SER  16  -7.671  -4.135   5.835
   97   2HB   SER  16          1HB       SER  16  -6.254  -4.825   5.054
   98    HG   SER  16           HG       SER  16  -5.829  -2.852   4.475
   99    H    GLN  17           H        GLN  17  -8.418  -3.801   1.570
  100    HA   GLN  17           HA       GLN  17  -9.966  -2.330   0.651
  101   1HB   GLN  17          2HB       GLN  17 -11.567  -4.111   1.491
  102   2HB   GLN  17          1HB       GLN  17 -11.781  -3.131   2.941
  103   1HG   GLN  17          2HG       GLN  17 -12.869  -1.425   1.795
  104   2HG   GLN  17          1HG       GLN  17 -12.112  -1.838   0.255
  105   1HE2  GLN  17          1HE2      GLN  17 -13.950  -3.890   2.587
  106   2HE2  GLN  17          2HE2      GLN  17 -15.101  -4.404   1.452
  107    H    SER  18           H        SER  18  -8.137  -1.597   3.030
  108    HA   SER  18           HA       SER  18  -9.596   0.910   3.778
  109   1HB   SER  18          2HB       SER  18  -9.228  -0.561   5.734
  110   2HB   SER  18          1HB       SER  18  -7.503  -0.601   5.379
  111    HG   SER  18           HG       SER  18  -7.730   1.015   6.826
  112    H    CYS  19           H        CYS  19  -8.731   2.399   2.367
  113    HA   CYS  19           HA       CYS  19  -5.842   2.285   1.731
  114   1HB   CYS  19          2HB       CYS  19  -8.210   3.766   0.619
  115   2HB   CYS  19          1HB       CYS  19  -6.580   4.349   0.286
  116    H    THR  20           H        THR  20  -4.530   3.267   3.184
  117    HA   THR  20           HA       THR  20  -5.444   5.847   4.383
  118    HB   THR  20           HB       THR  20  -5.120   4.040   6.042
  119    HG1  THR  20           1HG      THR  20  -3.993   5.302   7.394
  120   1HG2  THR  20          1HG2      THR  20  -2.209   4.069   5.215
  121   2HG2  THR  20          2HG2      THR  20  -3.351   2.828   4.705
  122   3HG2  THR  20          3HG2      THR  20  -2.968   3.023   6.414
  123    H    GLY  21           H        GLY  21  -4.321   7.598   3.699
  124   1HA   GLY  21          2HA       GLY  21  -2.554   8.919   2.888
  125   2HA   GLY  21          1HA       GLY  21  -1.460   7.613   3.342
  126    H    GLY  22           H        GLY  22  -4.175   7.090   1.185
  127   1HA   GLY  22          2HA       GLY  22  -4.261   6.687  -1.131
  128   2HA   GLY  22          1HA       GLY  22  -2.660   7.406  -1.267
  129    H    ARG  23           H        ARG  23  -2.857   4.877   1.065
  130    HA   ARG  23           HA       ARG  23  -1.995   2.843  -0.903
  131   1HB   ARG  23          2HB       ARG  23  -0.136   2.213   0.662
  132   2HB   ARG  23          1HB       ARG  23   0.086   3.786  -0.097
  133   1HG   ARG  23          2HG       ARG  23  -0.593   4.939   1.885
  134   2HG   ARG  23          1HG       ARG  23  -1.200   3.455   2.620
  135   1HD   ARG  23          2HD       ARG  23   1.174   2.561   2.518
  136   2HD   ARG  23          1HD       ARG  23   1.685   4.188   2.069
  137    HE   ARG  23           HE       ARG  23   0.111   4.395   4.422
  138   1HH1  ARG  23          1HH2      ARG  23   3.177   3.076   3.378
  139   2HH1  ARG  23          2HH2      ARG  23   3.901   3.262   4.936
  140   1HH2  ARG  23          1HH1      ARG  23   1.088   4.617   6.421
  141   2HH2  ARG  23          2HH1      ARG  23   2.734   4.125   6.642
  142    H    CYS  24           H        CYS  24  -2.149   0.666  -0.023
  143    HA   CYS  24           HA       CYS  24  -4.516   0.236   1.517
  144   1HB   CYS  24          2HB       CYS  24  -2.242  -1.704   1.040
  145   2HB   CYS  24          1HB       CYS  24  -3.886  -2.123   1.512
  146    H    ASP  25           H        ASP  25  -4.813  -0.109   3.663
  147    HA   ASP  25           HA       ASP  25  -2.854   0.821   5.547
  148   1HB   ASP  25          2HB       ASP  25  -5.534  -0.517   5.748
  149   2HB   ASP  25          1HB       ASP  25  -4.530  -0.383   7.191
  Start of MODEL    8
    1   1H    CYS   1          1HT       CYS   1  -6.105 -10.103  -4.118
    2   2H    CYS   1          2HT       CYS   1  -4.531  -9.896  -3.512
    3   3H    CYS   1          3HT       CYS   1  -4.889  -9.474  -5.119
    4    HA   CYS   1           HA       CYS   1  -6.098  -7.602  -4.514
    5   1HB   CYS   1          2HB       CYS   1  -6.700  -7.189  -2.109
    6   2HB   CYS   1          1HB       CYS   1  -7.495  -8.601  -2.801
    7    H    ILE   2           H        ILE   2  -5.155  -5.614  -3.756
    8    HA   ILE   2           HA       ILE   2  -2.279  -5.670  -3.570
    9    HB   ILE   2           HB       ILE   2  -4.177  -3.383  -2.959
   10   1HG1  ILE   2          2HG1      ILE   2  -2.775  -4.042  -5.566
   11   2HG1  ILE   2          1HG1      ILE   2  -4.454  -4.468  -5.232
   12   1HG2  ILE   2          1HG2      ILE   2  -1.984  -2.842  -2.172
   13   2HG2  ILE   2          2HG2      ILE   2  -2.145  -2.051  -3.740
   14   3HG2  ILE   2          3HG2      ILE   2  -1.224  -3.548  -3.597
   15   1HD1  ILE   2          1HD1      ILE   2  -4.842  -2.418  -6.185
   16   2HD1  ILE   2          2HD1      ILE   2  -3.245  -1.803  -5.757
   17   3HD1  ILE   2          3HD1      ILE   2  -4.523  -1.860  -4.543
   18    HA   PRO   3           HA       PRO   3  -2.288  -6.180   0.917
   19   1HB   PRO   3          2HB       PRO   3   0.413  -6.400   1.211
   20   2HB   PRO   3          1HB       PRO   3  -0.615  -7.712   0.619
   21   1HG   PRO   3          2HG       PRO   3   1.318  -6.047  -0.843
   22   2HG   PRO   3          1HG       PRO   3   0.666  -7.639  -1.253
   23   1HD   PRO   3          2HD       PRO   3  -0.117  -5.102  -2.336
   24   2HD   PRO   3          1HD       PRO   3  -0.820  -6.695  -2.688
   25    H    SER   4           H        SER   4  -1.266  -5.080   2.812
   26    HA   SER   4           HA       SER   4  -1.402  -2.252   2.641
   27   1HB   SER   4          2HB       SER   4   0.221  -3.578   4.785
   28   2HB   SER   4          1HB       SER   4  -0.911  -2.237   4.917
   29    HG   SER   4           HG       SER   4  -2.298  -3.710   5.467
   30    H    GLY   5           H        GLY   5   0.198  -0.667   2.455
   31   1HA   GLY   5          2HA       GLY   5   2.541   0.044   2.476
   32   2HA   GLY   5          1HA       GLY   5   2.997  -1.602   2.040
   33    H    GLN   6           H        GLN   6   0.680  -1.643   0.046
   34    HA   GLN   6           HA       GLN   6   2.207  -0.426  -2.170
   35   1HB   GLN   6          2HB       GLN   6  -0.044  -2.397  -1.941
   36   2HB   GLN   6          1HB       GLN   6   0.200  -1.548  -3.465
   37   1HG   GLN   6          2HG       GLN   6   2.711  -2.251  -3.113
   38   2HG   GLN   6          1HG       GLN   6   2.001  -3.492  -2.079
   39   1HE2  GLN   6          1HE2      GLN   6   1.417  -2.072  -5.354
   40   2HE2  GLN   6          2HE2      GLN   6   1.054  -3.558  -6.089
   41    HA   PRO   7           HA       PRO   7  -0.596   2.983  -2.647
   42   1HB   PRO   7          2HB       PRO   7  -0.518   3.380  -5.341
   43   2HB   PRO   7          1HB       PRO   7   0.830   3.755  -4.259
   44   1HG   PRO   7          2HG       PRO   7   0.551   1.576  -6.216
   45   2HG   PRO   7          1HG       PRO   7   2.014   2.293  -5.530
   46   1HD   PRO   7          2HD       PRO   7   0.789  -0.182  -4.789
   47   2HD   PRO   7          1HD       PRO   7   2.187   0.602  -4.020
   48    H    CYS   8           H        CYS   8  -2.733   3.501  -3.117
   49    HA   CYS   8           HA       CYS   8  -4.319   1.691  -4.839
   50   1HB   CYS   8          2HB       CYS   8  -6.092   1.600  -3.019
   51   2HB   CYS   8          1HB       CYS   8  -4.648   0.646  -2.705
   52    HA   PRO   9           HA       PRO   9  -6.240   5.606  -5.764
   53   1HB   PRO   9          2HB       PRO   9  -8.362   4.672  -7.208
   54   2HB   PRO   9          1HB       PRO   9  -6.702   4.693  -7.818
   55   1HG   PRO   9          2HG       PRO   9  -8.355   2.410  -6.985
   56   2HG   PRO   9          1HG       PRO   9  -6.928   2.446  -8.029
   57   1HD   PRO   9          2HD       PRO   9  -7.056   1.662  -5.271
   58   2HD   PRO   9          1HD       PRO   9  -5.618   1.761  -6.310
   59    H    TYR  10           H        TYR  10  -9.040   3.413  -5.399
   60    HA   TYR  10           HA       TYR  10 -10.212   5.361  -3.479
   61   1HB   TYR  10          2HB       TYR  10 -11.362   3.263  -5.308
   62   2HB   TYR  10          1HB       TYR  10 -12.302   3.859  -3.939
   63    HD1  TYR  10           1HD      TYR  10 -12.047   6.584  -3.679
   64    HD2  TYR  10           2HD      TYR  10 -11.778   4.331  -7.327
   65    HE1  TYR  10           1HE      TYR  10 -12.651   8.610  -4.974
   66    HE2  TYR  10           2HE      TYR  10 -12.382   6.358  -8.623
   67    HH   TYR  10           HH       TYR  10 -12.322   9.460  -7.314
   68    H    ASN  11           H        ASN  11 -11.892   3.925  -1.986
   69    HA   ASN  11           HA       ASN  11 -10.079   2.213  -0.393
   70   1HB   ASN  11          2HB       ASN  11 -11.652   4.113   0.499
   71   2HB   ASN  11          1HB       ASN  11 -12.903   2.874   0.389
   72   1HD2  ASN  11          1HD2      ASN  11 -13.175   1.913   2.403
   73   2HD2  ASN  11          2HD2      ASN  11 -11.919   1.516   3.473
   74    H    GLU  12           H        GLU  12 -10.713   0.944  -2.734
   75    HA   GLU  12           HA       GLU  12 -12.244  -1.371  -1.756
   76   1HB   GLU  12          2HB       GLU  12 -13.761   0.437  -3.006
   77   2HB   GLU  12          1HB       GLU  12 -13.096  -0.355  -4.435
   78   1HG   GLU  12          2HG       GLU  12 -14.908  -1.733  -4.081
   79   2HG   GLU  12          1HG       GLU  12 -13.739  -2.549  -3.041
   80    H    ASN  13           H        ASN  13  -9.471  -0.782  -2.575
   81    HA   ASN  13           HA       ASN  13  -9.238  -2.890  -4.665
   82   1HB   ASN  13          2HB       ASN  13  -8.239  -0.082  -4.798
   83   2HB   ASN  13          1HB       ASN  13  -7.180  -1.348  -5.420
   84   1HD2  ASN  13          1HD2      ASN  13 -10.539  -0.098  -5.722
   85   2HD2  ASN  13          2HD2      ASN  13 -10.751  -0.619  -7.323
   86    H    CYS  14           H        CYS  14  -8.797  -2.711  -1.682
   87    HA   CYS  14           HA       CYS  14  -5.919  -3.526  -1.678
   88   1HB   CYS  14          2HB       CYS  14  -7.505  -2.127   0.497
   89   2HB   CYS  14          1HB       CYS  14  -5.871  -2.747   0.695
   90    H    CYS  15           H        CYS  15  -5.443  -5.129   0.095
   91    HA   CYS  15           HA       CYS  15  -7.273  -7.335   0.026
   92   1HB   CYS  15          2HB       CYS  15  -4.879  -6.715   1.768
   93   2HB   CYS  15          1HB       CYS  15  -5.750  -8.240   1.835
   94    H    SER  16           H        SER  16  -6.498  -4.881   2.456
   95    HA   SER  16           HA       SER  16  -8.664  -5.870   4.220
   96   1HB   SER  16          2HB       SER  16  -7.730  -4.435   5.886
   97   2HB   SER  16          1HB       SER  16  -6.368  -5.203   5.080
   98    HG   SER  16           HG       SER  16  -5.760  -3.191   4.822
   99    H    GLN  17           H        GLN  17  -8.460  -3.818   1.596
  100    HA   GLN  17           HA       GLN  17  -9.827  -2.113   0.790
  101   1HB   GLN  17          2HB       GLN  17 -11.552  -3.806   1.722
  102   2HB   GLN  17          1HB       GLN  17 -11.707  -2.682   3.071
  103   1HG   GLN  17          2HG       GLN  17 -12.052  -0.864   1.264
  104   2HG   GLN  17          1HG       GLN  17 -12.329  -2.209   0.158
  105   1HE2  GLN  17          1HE2      GLN  17 -14.319  -0.186   1.156
  106   2HE2  GLN  17          2HE2      GLN  17 -15.547  -1.091   1.902
  107    H    SER  18           H        SER  18  -7.890  -1.726   3.194
  108    HA   SER  18           HA       SER  18  -9.123   0.737   4.335
  109   1HB   SER  18          2HB       SER  18  -8.123  -1.045   5.857
  110   2HB   SER  18          1HB       SER  18  -6.549  -0.608   5.198
  111    HG   SER  18           HG       SER  18  -6.872   0.627   7.011
  112    H    CYS  19           H        CYS  19  -8.621   1.391   1.898
  113    HA   CYS  19           HA       CYS  19  -5.884   2.044   1.237
  114   1HB   CYS  19          2HB       CYS  19  -7.706   1.764  -0.455
  115   2HB   CYS  19          1HB       CYS  19  -8.452   3.244   0.144
  116    H    THR  20           H        THR  20  -4.817   3.417   2.613
  117    HA   THR  20           HA       THR  20  -6.024   6.101   3.064
  118    HB   THR  20           HB       THR  20  -4.499   4.744   5.262
  119    HG1  THR  20           1HG      THR  20  -7.300   4.628   4.860
  120   1HG2  THR  20          1HG2      THR  20  -6.794   6.650   5.555
  121   2HG2  THR  20          2HG2      THR  20  -5.212   7.268   5.076
  122   3HG2  THR  20          3HG2      THR  20  -5.400   6.415   6.609
  123    H    GLY  21           H        GLY  21  -4.461   7.780   3.248
  124   1HA   GLY  21          2HA       GLY  21  -2.407   8.834   2.832
  125   2HA   GLY  21          1HA       GLY  21  -1.641   7.371   3.454
  126    H    GLY  22           H        GLY  22  -3.834   7.292   0.719
  127   1HA   GLY  22          2HA       GLY  22  -3.461   6.861  -1.557
  128   2HA   GLY  22          1HA       GLY  22  -1.825   7.475  -1.340
  129    H    ARG  23           H        ARG  23  -2.507   4.980   0.891
  130    HA   ARG  23           HA       ARG  23  -1.569   2.849  -0.923
  131   1HB   ARG  23          2HB       ARG  23   0.133   2.192   0.800
  132   2HB   ARG  23          1HB       ARG  23   0.490   3.718   0.002
  133   1HG   ARG  23          2HG       ARG  23   0.077   4.962   1.890
  134   2HG   ARG  23          1HG       ARG  23  -1.154   3.846   2.480
  135   1HD   ARG  23          2HD       ARG  23   0.457   2.334   3.328
  136   2HD   ARG  23          1HD       ARG  23   1.758   3.062   2.385
  137    HE   ARG  23           HE       ARG  23   0.801   3.984   4.972
  138   1HH1  ARG  23          1HH2      ARG  23   2.278   4.967   1.957
  139   2HH1  ARG  23          2HH2      ARG  23   3.028   6.356   2.663
  140   1HH2  ARG  23          1HH1      ARG  23   1.790   5.791   5.842
  141   2HH2  ARG  23          2HH1      ARG  23   2.756   6.819   4.838
  142    H    CYS  24           H        CYS  24  -1.964   0.728  -0.037
  143    HA   CYS  24           HA       CYS  24  -4.403   0.543   1.477
  144   1HB   CYS  24          2HB       CYS  24  -2.367  -1.625   0.902
  145   2HB   CYS  24          1HB       CYS  24  -4.029  -1.880   1.420
  146    H    ASP  25           H        ASP  25  -4.709   0.160   3.623
  147    HA   ASP  25           HA       ASP  25  -2.329   0.396   5.382
  148   1HB   ASP  25          2HB       ASP  25  -5.274   0.869   5.723
  149   2HB   ASP  25          1HB       ASP  25  -4.282   0.551   7.144
  Start of MODEL    9
    1   1H    CYS   1          1HT       CYS   1  -6.555 -10.052  -4.071
    2   2H    CYS   1          2HT       CYS   1  -4.931  -9.971  -3.577
    3   3H    CYS   1          3HT       CYS   1  -5.372  -9.476  -5.141
    4    HA   CYS   1           HA       CYS   1  -6.408  -7.548  -4.399
    5   1HB   CYS   1          2HB       CYS   1  -6.815  -7.173  -1.953
    6   2HB   CYS   1          1HB       CYS   1  -7.729  -8.530  -2.606
    7    H    ILE   2           H        ILE   2  -5.271  -5.648  -3.665
    8    HA   ILE   2           HA       ILE   2  -2.395  -5.931  -3.678
    9    HB   ILE   2           HB       ILE   2  -4.066  -3.503  -2.961
   10   1HG1  ILE   2          2HG1      ILE   2  -2.905  -4.320  -5.643
   11   2HG1  ILE   2          1HG1      ILE   2  -4.600  -4.515  -5.196
   12   1HG2  ILE   2          1HG2      ILE   2  -1.318  -3.519  -4.194
   13   2HG2  ILE   2          2HG2      ILE   2  -1.516  -3.634  -2.446
   14   3HG2  ILE   2          3HG2      ILE   2  -2.125  -2.223  -3.309
   15   1HD1  ILE   2          1HD1      ILE   2  -3.431  -1.814  -4.776
   16   2HD1  ILE   2          2HD1      ILE   2  -5.040  -2.269  -5.340
   17   3HD1  ILE   2          3HD1      ILE   2  -3.671  -2.313  -6.451
   18    HA   PRO   3           HA       PRO   3  -2.032  -6.400   0.775
   19   1HB   PRO   3          2HB       PRO   3   0.689  -6.406   0.904
   20   2HB   PRO   3          1HB       PRO   3  -0.266  -7.783   0.342
   21   1HG   PRO   3          2HG       PRO   3   1.436  -5.938  -1.191
   22   2HG   PRO   3          1HG       PRO   3   0.890  -7.569  -1.602
   23   1HD   PRO   3          2HD       PRO   3  -0.156  -5.086  -2.577
   24   2HD   PRO   3          1HD       PRO   3  -0.754  -6.724  -2.920
   25    H    SER   4           H        SER   4  -1.103  -5.260   2.639
   26    HA   SER   4           HA       SER   4  -1.383  -2.437   2.522
   27   1HB   SER   4          2HB       SER   4   0.258  -3.821   4.635
   28   2HB   SER   4          1HB       SER   4  -0.802  -2.425   4.806
   29    HG   SER   4           HG       SER   4  -2.421  -3.733   5.085
   30    H    GLY   5           H        GLY   5   0.174  -0.770   2.474
   31   1HA   GLY   5          2HA       GLY   5   2.469   0.043   2.470
   32   2HA   GLY   5          1HA       GLY   5   3.002  -1.577   2.019
   33    H    GLN   6           H        GLN   6   0.645  -1.634   0.017
   34    HA   GLN   6           HA       GLN   6   2.171  -0.395  -2.188
   35   1HB   GLN   6          2HB       GLN   6  -0.099  -2.345  -1.972
   36   2HB   GLN   6          1HB       GLN   6   0.151  -1.484  -3.489
   37   1HG   GLN   6          2HG       GLN   6   2.308  -3.048  -2.053
   38   2HG   GLN   6          1HG       GLN   6   1.346  -3.686  -3.386
   39   1HE2  GLN   6          1HE2      GLN   6   1.434  -2.302  -5.469
   40   2HE2  GLN   6          2HE2      GLN   6   2.909  -1.549  -5.839
   41    HA   PRO   7           HA       PRO   7  -0.622   3.032  -2.608
   42   1HB   PRO   7          2HB       PRO   7  -0.537   3.474  -5.294
   43   2HB   PRO   7          1HB       PRO   7   0.810   3.824  -4.205
   44   1HG   PRO   7          2HG       PRO   7   0.528   1.685  -6.202
   45   2HG   PRO   7          1HG       PRO   7   1.992   2.375  -5.491
   46   1HD   PRO   7          2HD       PRO   7   0.727  -0.102  -4.806
   47   2HD   PRO   7          1HD       PRO   7   2.141   0.640  -4.027
   48    H    CYS   8           H        CYS   8  -2.756   3.550  -3.048
   49    HA   CYS   8           HA       CYS   8  -4.344   1.815  -4.834
   50   1HB   CYS   8          2HB       CYS   8  -6.110   1.628  -3.016
   51   2HB   CYS   8          1HB       CYS   8  -4.660   0.667  -2.754
   52    HA   PRO   9           HA       PRO   9  -6.155   5.857  -5.523
   53   1HB   PRO   9          2HB       PRO   9  -8.059   5.091  -7.323
   54   2HB   PRO   9          1HB       PRO   9  -6.339   5.217  -7.719
   55   1HG   PRO   9          2HG       PRO   9  -8.008   2.820  -7.392
   56   2HG   PRO   9          1HG       PRO   9  -6.474   3.017  -8.250
   57   1HD   PRO   9          2HD       PRO   9  -6.886   1.866  -5.655
   58   2HD   PRO   9          1HD       PRO   9  -5.341   2.135  -6.494
   59    H    TYR  10           H        TYR  10  -8.821   3.461  -5.669
   60    HA   TYR  10           HA       TYR  10 -10.474   5.224  -3.979
   61   1HB   TYR  10          2HB       TYR  10 -10.953   2.839  -5.718
   62   2HB   TYR  10          1HB       TYR  10 -12.092   3.145  -4.408
   63    HD1  TYR  10           1HD      TYR  10 -13.884   4.577  -4.815
   64    HD2  TYR  10           2HD      TYR  10 -10.285   5.008  -7.122
   65    HE1  TYR  10           1HE      TYR  10 -14.960   6.358  -6.164
   66    HE2  TYR  10           2HE      TYR  10 -11.362   6.788  -8.471
   67    HH   TYR  10           HH       TYR  10 -13.221   8.418  -8.212
   68    H    ASN  11           H        ASN  11 -11.984   3.610  -2.466
   69    HA   ASN  11           HA       ASN  11 -10.006   2.343  -0.632
   70   1HB   ASN  11          2HB       ASN  11 -11.816   4.247  -0.044
   71   2HB   ASN  11          1HB       ASN  11 -12.805   2.815   0.244
   72   1HD2  ASN  11          1HD2      ASN  11 -11.511   4.793   2.202
   73   2HD2  ASN  11          2HD2      ASN  11 -10.628   3.807   3.266
   74    H    GLU  12           H        GLU  12 -10.842   0.894  -2.928
   75    HA   GLU  12           HA       GLU  12 -12.122  -1.417  -1.594
   76   1HB   GLU  12          2HB       GLU  12 -13.324   0.182  -3.799
   77   2HB   GLU  12          1HB       GLU  12 -13.440  -1.573  -3.940
   78   1HG   GLU  12          2HG       GLU  12 -14.661  -1.779  -1.937
   79   2HG   GLU  12          1HG       GLU  12 -14.160  -0.187  -1.363
   80    H    ASN  13           H        ASN  13  -9.425  -0.706  -2.700
   81    HA   ASN  13           HA       ASN  13  -9.208  -2.988  -4.618
   82   1HB   ASN  13          2HB       ASN  13  -7.849  -0.285  -4.755
   83   2HB   ASN  13          1HB       ASN  13  -7.319  -1.681  -5.695
   84   1HD2  ASN  13          1HD2      ASN  13  -9.398   0.999  -5.775
   85   2HD2  ASN  13          2HD2      ASN  13 -10.419   0.483  -7.029
   86    H    CYS  14           H        CYS  14  -8.762  -2.722  -1.649
   87    HA   CYS  14           HA       CYS  14  -5.881  -3.524  -1.612
   88   1HB   CYS  14          2HB       CYS  14  -7.491  -2.118   0.540
   89   2HB   CYS  14          1HB       CYS  14  -5.841  -2.690   0.732
   90    H    CYS  15           H        CYS  15  -5.391  -5.151   0.100
   91    HA   CYS  15           HA       CYS  15  -7.272  -7.317   0.107
   92   1HB   CYS  15          2HB       CYS  15  -4.782  -6.750   1.726
   93   2HB   CYS  15          1HB       CYS  15  -5.700  -8.238   1.887
   94    H    SER  16           H        SER  16  -6.371  -4.856   2.474
   95    HA   SER  16           HA       SER  16  -8.417  -5.818   4.379
   96   1HB   SER  16          2HB       SER  16  -7.459  -4.262   5.920
   97   2HB   SER  16          1HB       SER  16  -6.110  -5.011   5.075
   98    HG   SER  16           HG       SER  16  -5.600  -3.098   4.388
   99    H    GLN  17           H        GLN  17  -8.343  -3.776   1.690
  100    HA   GLN  17           HA       GLN  17  -9.824  -2.173   0.882
  101   1HB   GLN  17          2HB       GLN  17 -11.457  -3.946   1.779
  102   2HB   GLN  17          1HB       GLN  17 -11.638  -2.897   3.184
  103   1HG   GLN  17          2HG       GLN  17 -11.973  -1.063   1.241
  104   2HG   GLN  17          1HG       GLN  17 -12.558  -2.489   0.385
  105   1HE2  GLN  17          1HE2      GLN  17 -14.815  -1.898   0.478
  106   2HE2  GLN  17          2HE2      GLN  17 -15.678  -1.849   1.938
  107    H    SER  18           H        SER  18  -7.878  -1.626   3.205
  108    HA   SER  18           HA       SER  18  -9.250   0.786   4.317
  109   1HB   SER  18          2HB       SER  18  -8.289  -0.931   5.925
  110   2HB   SER  18          1HB       SER  18  -6.694  -0.503   5.315
  111    HG   SER  18           HG       SER  18  -7.251   1.701   5.895
  112    H    CYS  19           H        CYS  19  -8.655   1.401   1.890
  113    HA   CYS  19           HA       CYS  19  -5.919   2.085   1.299
  114   1HB   CYS  19          2HB       CYS  19  -7.731   1.808  -0.417
  115   2HB   CYS  19          1HB       CYS  19  -8.453   3.308   0.159
  116    H    THR  20           H        THR  20  -4.849   3.496   2.614
  117    HA   THR  20           HA       THR  20  -6.069   6.169   3.056
  118    HB   THR  20           HB       THR  20  -4.630   4.764   5.292
  119    HG1  THR  20           1HG      THR  20  -7.427   4.835   4.855
  120   1HG2  THR  20          1HG2      THR  20  -6.361   7.194   4.960
  121   2HG2  THR  20          2HG2      THR  20  -4.798   7.045   5.765
  122   3HG2  THR  20          3HG2      THR  20  -6.250   6.403   6.532
  123    H    GLY  21           H        GLY  21  -4.497   7.841   3.297
  124   1HA   GLY  21          2HA       GLY  21  -2.427   8.882   2.935
  125   2HA   GLY  21          1HA       GLY  21  -1.685   7.407   3.558
  126    H    GLY  22           H        GLY  22  -3.822   7.344   0.781
  127   1HA   GLY  22          2HA       GLY  22  -3.399   6.951  -1.494
  128   2HA   GLY  22          1HA       GLY  22  -1.761   7.543  -1.230
  129    H    ARG  23           H        ARG  23  -2.483   5.041   0.965
  130    HA   ARG  23           HA       ARG  23  -1.561   2.912  -0.861
  131   1HB   ARG  23          2HB       ARG  23   0.118   2.221   0.874
  132   2HB   ARG  23          1HB       ARG  23   0.501   3.748   0.086
  133   1HG   ARG  23          2HG       ARG  23  -0.379   5.000   1.974
  134   2HG   ARG  23          1HG       ARG  23  -0.941   3.515   2.742
  135   1HD   ARG  23          2HD       ARG  23   1.230   4.355   3.678
  136   2HD   ARG  23          1HD       ARG  23   1.338   2.725   3.012
  137    HE   ARG  23           HE       ARG  23   2.815   3.554   1.379
  138   1HH1  ARG  23          1HH2      ARG  23   1.032   6.193   2.825
  139   2HH1  ARG  23          2HH2      ARG  23   1.949   7.400   1.995
  140   1HH2  ARG  23          1HH1      ARG  23   3.976   5.150   0.325
  141   2HH2  ARG  23          2HH1      ARG  23   3.598   6.819   0.594
  142    H    CYS  24           H        CYS  24  -1.959   0.781   0.039
  143    HA   CYS  24           HA       CYS  24  -4.425   0.622   1.525
  144   1HB   CYS  24          2HB       CYS  24  -2.421  -1.576   0.945
  145   2HB   CYS  24          1HB       CYS  24  -4.096  -1.802   1.442
  146    H    ASP  25           H        ASP  25  -4.749   0.190   3.666
  147    HA   ASP  25           HA       ASP  25  -2.375   0.395   5.439
  148   1HB   ASP  25          2HB       ASP  25  -5.319   0.882   5.769
  149   2HB   ASP  25          1HB       ASP  25  -4.338   0.539   7.192
  Start of MODEL   10
    1   1H    CYS   1          1HT       CYS   1  -6.470  -9.763  -4.340
    2   2H    CYS   1          2HT       CYS   1  -4.860  -9.691  -3.799
    3   3H    CYS   1          3HT       CYS   1  -5.270  -9.107  -5.341
    4    HA   CYS   1           HA       CYS   1  -6.367  -7.247  -4.504
    5   1HB   CYS   1          2HB       CYS   1  -6.798  -7.024  -2.041
    6   2HB   CYS   1          1HB       CYS   1  -7.686  -8.352  -2.786
    7    H    ILE   2           H        ILE   2  -5.254  -5.375  -3.738
    8    HA   ILE   2           HA       ILE   2  -2.378  -5.612  -3.679
    9    HB   ILE   2           HB       ILE   2  -4.121  -3.242  -2.933
   10   1HG1  ILE   2          2HG1      ILE   2  -2.787  -3.770  -5.593
   11   2HG1  ILE   2          1HG1      ILE   2  -4.430  -4.318  -5.256
   12   1HG2  ILE   2          1HG2      ILE   2  -2.016  -2.018  -3.768
   13   2HG2  ILE   2          2HG2      ILE   2  -1.192  -3.567  -3.596
   14   3HG2  ILE   2          3HG2      ILE   2  -1.914  -2.790  -2.186
   15   1HD1  ILE   2          1HD1      ILE   2  -4.837  -2.221  -6.186
   16   2HD1  ILE   2          2HD1      ILE   2  -3.380  -1.516  -5.485
   17   3HD1  ILE   2          3HD1      ILE   2  -4.785  -1.830  -4.468
   18    HA   PRO   3           HA       PRO   3  -2.156  -6.243   0.770
   19   1HB   PRO   3          2HB       PRO   3   0.563  -6.309   0.968
   20   2HB   PRO   3          1HB       PRO   3  -0.404  -7.651   0.344
   21   1HG   PRO   3          2HG       PRO   3   1.372  -5.799  -1.094
   22   2HG   PRO   3          1HG       PRO   3   0.809  -7.408  -1.562
   23   1HD   PRO   3          2HD       PRO   3  -0.167  -4.883  -2.499
   24   2HD   PRO   3          1HD       PRO   3  -0.788  -6.500  -2.897
   25    H    SER   4           H        SER   4  -1.204  -5.165   2.686
   26    HA   SER   4           HA       SER   4  -1.456  -2.336   2.618
   27   1HB   SER   4          2HB       SER   4  -0.117  -4.126   4.662
   28   2HB   SER   4          1HB       SER   4  -0.465  -2.419   4.916
   29    HG   SER   4           HG       SER   4  -2.404  -4.370   4.207
   30    H    GLY   5           H        GLY   5   0.105  -0.688   2.559
   31   1HA   GLY   5          2HA       GLY   5   2.399   0.121   2.603
   32   2HA   GLY   5          1HA       GLY   5   2.942  -1.505   2.184
   33    H    GLN   6           H        GLN   6   0.671  -1.618   0.120
   34    HA   GLN   6           HA       GLN   6   2.230  -0.370  -2.055
   35   1HB   GLN   6          2HB       GLN   6   0.010  -2.385  -1.879
   36   2HB   GLN   6          1HB       GLN   6   0.283  -1.538  -3.399
   37   1HG   GLN   6          2HG       GLN   6   2.769  -2.193  -3.073
   38   2HG   GLN   6          1HG       GLN   6   2.148  -3.370  -1.915
   39   1HE2  GLN   6          1HE2      GLN   6   0.994  -2.244  -5.152
   40   2HE2  GLN   6          2HE2      GLN   6   0.842  -3.804  -5.800
   41    HA   PRO   7           HA       PRO   7  -0.616   2.988  -2.607
   42   1HB   PRO   7          2HB       PRO   7  -0.512   3.366  -5.303
   43   2HB   PRO   7          1HB       PRO   7   0.813   3.774  -4.208
   44   1HG   PRO   7          2HG       PRO   7   0.598   1.574  -6.148
   45   2HG   PRO   7          1HG       PRO   7   2.039   2.327  -5.454
   46   1HD   PRO   7          2HD       PRO   7   0.865  -0.166  -4.705
   47   2HD   PRO   7          1HD       PRO   7   2.228   0.658  -3.918
   48    H    CYS   8           H        CYS   8  -2.754   3.469  -3.095
   49    HA   CYS   8           HA       CYS   8  -4.296   1.637  -4.830
   50   1HB   CYS   8          2HB       CYS   8  -6.093   1.541  -3.020
   51   2HB   CYS   8          1HB       CYS   8  -4.654   0.574  -2.722
   52    HA   PRO   9           HA       PRO   9  -6.191   5.585  -5.745
   53   1HB   PRO   9          2HB       PRO   9  -8.142   4.676  -7.424
   54   2HB   PRO   9          1HB       PRO   9  -6.435   4.779  -7.880
   55   1HG   PRO   9          2HG       PRO   9  -8.078   2.407  -7.334
   56   2HG   PRO   9          1HG       PRO   9  -6.562   2.544  -8.233
   57   1HD   PRO   9          2HD       PRO   9  -6.922   1.601  -5.544
   58   2HD   PRO   9          1HD       PRO   9  -5.399   1.790  -6.439
   59    H    TYR  10           H        TYR  10  -8.925   3.277  -5.745
   60    HA   TYR  10           HA       TYR  10 -10.470   5.131  -4.059
   61   1HB   TYR  10          2HB       TYR  10 -11.075   2.679  -5.672
   62   2HB   TYR  10          1HB       TYR  10 -12.184   3.134  -4.377
   63    HD1  TYR  10           1HD      TYR  10 -10.313   4.689  -7.236
   64    HD2  TYR  10           2HD      TYR  10 -13.885   4.657  -4.850
   65    HE1  TYR  10           1HE      TYR  10 -11.301   6.436  -8.692
   66    HE2  TYR  10           2HE      TYR  10 -14.872   6.405  -6.307
   67    HH   TYR  10           HH       TYR  10 -13.943   8.251  -7.849
   68    H    ASN  11           H        ASN  11 -11.979   3.688  -2.435
   69    HA   ASN  11           HA       ASN  11 -10.026   2.442  -0.570
   70   1HB   ASN  11          2HB       ASN  11 -11.700   4.371   0.027
   71   2HB   ASN  11          1HB       ASN  11 -12.880   3.064   0.127
   72   1HD2  ASN  11          1HD2      ASN  11 -10.822   4.809   2.047
   73   2HD2  ASN  11          2HD2      ASN  11 -10.503   3.654   3.248
   74    H    GLU  12           H        GLU  12 -10.970   0.960  -2.881
   75    HA   GLU  12           HA       GLU  12 -12.143  -1.351  -1.447
   76   1HB   GLU  12          2HB       GLU  12 -13.905   0.201  -2.705
   77   2HB   GLU  12          1HB       GLU  12 -13.331  -0.693  -4.112
   78   1HG   GLU  12          2HG       GLU  12 -14.214  -2.683  -3.384
   79   2HG   GLU  12          1HG       GLU  12 -13.961  -2.291  -1.681
   80    H    ASN  13           H        ASN  13  -9.510  -0.727  -2.616
   81    HA   ASN  13           HA       ASN  13  -9.404  -2.967  -4.591
   82   1HB   ASN  13          2HB       ASN  13  -7.975  -0.300  -4.735
   83   2HB   ASN  13          1HB       ASN  13  -7.550  -1.689  -5.736
   84   1HD2  ASN  13          1HD2      ASN  13  -9.439   1.091  -5.724
   85   2HD2  ASN  13          2HD2      ASN  13 -10.580   0.639  -6.897
   86    H    CYS  14           H        CYS  14  -8.816  -2.692  -1.617
   87    HA   CYS  14           HA       CYS  14  -5.958  -3.572  -1.724
   88   1HB   CYS  14          2HB       CYS  14  -7.446  -2.149   0.503
   89   2HB   CYS  14          1HB       CYS  14  -5.814  -2.785   0.643
   90    H    CYS  15           H        CYS  15  -5.424  -5.181   0.016
   91    HA   CYS  15           HA       CYS  15  -7.302  -7.353   0.051
   92   1HB   CYS  15          2HB       CYS  15  -4.806  -6.793   1.668
   93   2HB   CYS  15          1HB       CYS  15  -5.691  -8.309   1.740
   94    H    SER  16           H        SER  16  -6.318  -4.917   2.410
   95    HA   SER  16           HA       SER  16  -8.325  -5.859   4.361
   96   1HB   SER  16          2HB       SER  16  -7.319  -4.315   5.877
   97   2HB   SER  16          1HB       SER  16  -5.994  -5.051   4.985
   98    HG   SER  16           HG       SER  16  -5.750  -3.223   3.823
   99    H    GLN  17           H        GLN  17  -8.286  -3.798   1.674
  100    HA   GLN  17           HA       GLN  17  -9.783  -2.193   0.897
  101   1HB   GLN  17          2HB       GLN  17 -11.426  -3.941   1.767
  102   2HB   GLN  17          1HB       GLN  17 -11.541  -2.969   3.234
  103   1HG   GLN  17          2HG       GLN  17 -12.499  -1.142   2.095
  104   2HG   GLN  17          1HG       GLN  17 -11.951  -1.722   0.522
  105   1HE2  GLN  17          1HE2      GLN  17 -12.829  -4.320   0.397
  106   2HE2  GLN  17          2HE2      GLN  17 -14.515  -4.404   0.578
  107    H    SER  18           H        SER  18  -7.778  -1.643   3.142
  108    HA   SER  18           HA       SER  18  -9.124   0.756   4.313
  109   1HB   SER  18          2HB       SER  18  -7.892  -1.170   5.710
  110   2HB   SER  18          1HB       SER  18  -6.478  -0.195   5.322
  111    HG   SER  18           HG       SER  18  -8.884   0.726   6.526
  112    H    CYS  19           H        CYS  19  -8.587   1.398   1.882
  113    HA   CYS  19           HA       CYS  19  -5.862   2.074   1.232
  114   1HB   CYS  19          2HB       CYS  19  -7.743   1.822  -0.429
  115   2HB   CYS  19          1HB       CYS  19  -8.402   3.347   0.163
  116    H    THR  20           H        THR  20  -4.805   3.398   2.678
  117    HA   THR  20           HA       THR  20  -5.982   6.098   3.128
  118    HB   THR  20           HB       THR  20  -4.481   4.705   5.323
  119    HG1  THR  20           1HG      THR  20  -6.301   3.776   6.020
  120   1HG2  THR  20          1HG2      THR  20  -6.702   6.744   5.465
  121   2HG2  THR  20          2HG2      THR  20  -5.012   7.207   5.273
  122   3HG2  THR  20          3HG2      THR  20  -5.528   6.329   6.713
  123    H    GLY  21           H        GLY  21  -4.409   7.763   3.319
  124   1HA   GLY  21          2HA       GLY  21  -2.342   8.800   2.927
  125   2HA   GLY  21          1HA       GLY  21  -1.591   7.323   3.531
  126    H    GLY  22           H        GLY  22  -3.787   7.307   0.798
  127   1HA   GLY  22          2HA       GLY  22  -3.425   6.894  -1.481
  128   2HA   GLY  22          1HA       GLY  22  -1.781   7.487  -1.262
  129    H    ARG  23           H        ARG  23  -2.506   4.969   0.936
  130    HA   ARG  23           HA       ARG  23  -1.604   2.847  -0.899
  131   1HB   ARG  23          2HB       ARG  23   0.118   2.160   0.791
  132   2HB   ARG  23          1HB       ARG  23   0.476   3.688  -0.001
  133   1HG   ARG  23          2HG       ARG  23  -0.285   4.945   1.903
  134   2HG   ARG  23          1HG       ARG  23  -0.951   3.499   2.661
  135   1HD   ARG  23          2HD       ARG  23   1.080   2.809   3.433
  136   2HD   ARG  23          1HD       ARG  23   1.923   3.337   1.975
  137    HE   ARG  23           HE       ARG  23   0.995   5.560   3.617
  138   1HH1  ARG  23          1HH2      ARG  23   3.560   3.235   3.110
  139   2HH1  ARG  23          2HH2      ARG  23   4.749   4.231   3.873
  140   1HH2  ARG  23          1HH1      ARG  23   2.567   6.814   4.597
  141   2HH2  ARG  23          2HH1      ARG  23   4.196   6.235   4.707
  142    H    CYS  24           H        CYS  24  -1.988   0.717   0.002
  143    HA   CYS  24           HA       CYS  24  -4.421   0.553   1.533
  144   1HB   CYS  24          2HB       CYS  24  -2.422  -1.658   1.004
  145   2HB   CYS  24          1HB       CYS  24  -4.112  -1.858   1.451
  146    H    ASP  25           H        ASP  25  -4.708   0.270   3.684
  147    HA   ASP  25           HA       ASP  25  -2.278   0.325   5.404
  148   1HB   ASP  25          2HB       ASP  25  -5.117   1.239   5.742
  149   2HB   ASP  25          1HB       ASP  25  -4.164   0.846   7.171
  Start of MODEL   11
    1   1H    CYS   1          1HT       CYS   1  -6.395 -10.089  -3.877
    2   2H    CYS   1          2HT       CYS   1  -4.749  -9.895  -3.506
    3   3H    CYS   1          3HT       CYS   1  -5.336  -9.446  -5.036
    4    HA   CYS   1           HA       CYS   1  -6.386  -7.563  -4.255
    5   1HB   CYS   1          2HB       CYS   1  -6.764  -7.212  -1.800
    6   2HB   CYS   1          1HB       CYS   1  -7.633  -8.603  -2.444
    7    H    ILE   2           H        ILE   2  -5.292  -5.625  -3.656
    8    HA   ILE   2           HA       ILE   2  -2.426  -5.761  -3.693
    9    HB   ILE   2           HB       ILE   2  -4.205  -3.442  -2.873
   10   1HG1  ILE   2          2HG1      ILE   2  -3.033  -4.134  -5.586
   11   2HG1  ILE   2          1HG1      ILE   2  -4.715  -4.404  -5.130
   12   1HG2  ILE   2          1HG2      ILE   2  -1.965  -2.944  -2.229
   13   2HG2  ILE   2          2HG2      ILE   2  -2.189  -2.145  -3.785
   14   3HG2  ILE   2          3HG2      ILE   2  -1.303  -3.666  -3.695
   15   1HD1  ILE   2          1HD1      ILE   2  -5.250  -2.207  -5.351
   16   2HD1  ILE   2          2HD1      ILE   2  -3.768  -2.105  -6.299
   17   3HD1  ILE   2          3HD1      ILE   2  -3.754  -1.669  -4.590
   18    HA   PRO   3           HA       PRO   3  -1.942  -6.377   0.730
   19   1HB   PRO   3          2HB       PRO   3   0.783  -6.339   0.785
   20   2HB   PRO   3          1HB       PRO   3  -0.165  -7.715   0.210
   21   1HG   PRO   3          2HG       PRO   3   1.461  -5.795  -1.314
   22   2HG   PRO   3          1HG       PRO   3   0.938  -7.426  -1.756
   23   1HD   PRO   3          2HD       PRO   3  -0.185  -4.942  -2.638
   24   2HD   PRO   3          1HD       PRO   3  -0.764  -6.582  -3.001
   25    H    SER   4           H        SER   4  -1.005  -5.275   2.598
   26    HA   SER   4           HA       SER   4  -1.331  -2.459   2.580
   27   1HB   SER   4          2HB       SER   4   0.378  -3.912   4.595
   28   2HB   SER   4          1HB       SER   4  -0.650  -2.504   4.847
   29    HG   SER   4           HG       SER   4  -2.088  -3.929   5.407
   30    H    GLY   5           H        GLY   5   0.147  -0.763   2.408
   31   1HA   GLY   5          2HA       GLY   5   2.423   0.125   2.417
   32   2HA   GLY   5          1HA       GLY   5   3.003  -1.473   1.954
   33    H    GLN   6           H        GLN   6   0.634  -1.588  -0.035
   34    HA   GLN   6           HA       GLN   6   2.110  -0.282  -2.235
   35   1HB   GLN   6          2HB       GLN   6  -0.081  -2.325  -2.037
   36   2HB   GLN   6          1HB       GLN   6   0.136  -1.442  -3.545
   37   1HG   GLN   6          2HG       GLN   6   2.434  -2.812  -2.152
   38   2HG   GLN   6          1HG       GLN   6   1.417  -3.647  -3.327
   39   1HE2  GLN   6          1HE2      GLN   6   4.228  -1.798  -3.063
   40   2HE2  GLN   6          2HE2      GLN   6   4.341  -1.272  -4.672
   41    HA   PRO   7           HA       PRO   7  -0.773   3.084  -2.520
   42   1HB   PRO   7          2HB       PRO   7  -0.494   3.740  -5.148
   43   2HB   PRO   7          1HB       PRO   7   0.735   4.073  -3.923
   44   1HG   PRO   7          2HG       PRO   7   0.732   2.067  -6.079
   45   2HG   PRO   7          1HG       PRO   7   2.096   2.804  -5.227
   46   1HD   PRO   7          2HD       PRO   7   1.003   0.207  -4.791
   47   2HD   PRO   7          1HD       PRO   7   2.255   1.018  -3.825
   48    H    CYS   8           H        CYS   8  -2.896   3.503  -3.076
   49    HA   CYS   8           HA       CYS   8  -4.223   1.739  -5.069
   50   1HB   CYS   8          2HB       CYS   8  -6.125   1.437  -3.469
   51   2HB   CYS   8          1HB       CYS   8  -4.636   0.669  -2.925
   52    HA   PRO   9           HA       PRO   9  -6.227   5.601  -6.067
   53   1HB   PRO   9          2HB       PRO   9  -8.176   4.618  -7.709
   54   2HB   PRO   9          1HB       PRO   9  -6.472   4.726  -8.176
   55   1HG   PRO   9          2HG       PRO   9  -8.086   2.353  -7.545
   56   2HG   PRO   9          1HG       PRO   9  -6.578   2.479  -8.460
   57   1HD   PRO   9          2HD       PRO   9  -6.906   1.612  -5.744
   58   2HD   PRO   9          1HD       PRO   9  -5.390   1.801  -6.651
   59    H    TYR  10           H        TYR  10  -8.940   3.272  -5.990
   60    HA   TYR  10           HA       TYR  10 -10.500   5.142  -4.337
   61   1HB   TYR  10          2HB       TYR  10 -11.061   2.606  -5.839
   62   2HB   TYR  10          1HB       TYR  10 -12.165   3.089  -4.553
   63    HD1  TYR  10           1HD      TYR  10 -13.522   5.101  -4.735
   64    HD2  TYR  10           2HD      TYR  10 -10.759   4.007  -7.837
   65    HE1  TYR  10           1HE      TYR  10 -14.575   6.754  -6.255
   66    HE2  TYR  10           2HE      TYR  10 -11.812   5.661  -9.356
   67    HH   TYR  10           HH       TYR  10 -13.703   8.109  -8.380
   68    H    ASN  11           H        ASN  11 -11.951   3.598  -2.649
   69    HA   ASN  11           HA       ASN  11  -9.873   2.455  -0.829
   70   1HB   ASN  11          2HB       ASN  11 -11.262   4.408  -0.022
   71   2HB   ASN  11          1HB       ASN  11 -12.680   3.366  -0.130
   72   1HD2  ASN  11          1HD2      ASN  11 -12.826   3.679   2.295
   73   2HD2  ASN  11          2HD2      ASN  11 -11.853   2.719   3.301
   74    H    GLU  12           H        GLU  12 -10.862   0.907  -2.990
   75    HA   GLU  12           HA       GLU  12 -12.114  -1.304  -1.474
   76   1HB   GLU  12          2HB       GLU  12 -13.803  -1.645  -3.283
   77   2HB   GLU  12          1HB       GLU  12 -14.029  -0.122  -2.423
   78   1HG   GLU  12          2HG       GLU  12 -13.086   1.146  -4.195
   79   2HG   GLU  12          1HG       GLU  12 -12.400  -0.288  -4.961
   80    H    ASN  13           H        ASN  13  -9.459  -0.812  -2.658
   81    HA   ASN  13           HA       ASN  13  -9.406  -3.157  -4.505
   82   1HB   ASN  13          2HB       ASN  13  -9.098  -0.693  -5.511
   83   2HB   ASN  13          1HB       ASN  13  -7.443  -0.955  -4.959
   84   1HD2  ASN  13          1HD2      ASN  13  -8.543  -0.903  -7.787
   85   2HD2  ASN  13          2HD2      ASN  13  -8.084  -2.393  -8.461
   86    H    CYS  14           H        CYS  14  -8.802  -2.780  -1.598
   87    HA   CYS  14           HA       CYS  14  -5.918  -3.584  -1.662
   88   1HB   CYS  14          2HB       CYS  14  -7.477  -2.077   0.454
   89   2HB   CYS  14          1HB       CYS  14  -5.878  -2.752   0.730
   90    H    CYS  15           H        CYS  15  -5.359  -5.137   0.132
   91    HA   CYS  15           HA       CYS  15  -7.190  -7.346   0.206
   92   1HB   CYS  15          2HB       CYS  15  -4.721  -6.669   1.817
   93   2HB   CYS  15          1HB       CYS  15  -5.596  -8.180   2.003
   94    H    SER  16           H        SER  16  -6.362  -4.771   2.457
   95    HA   SER  16           HA       SER  16  -8.341  -5.694   4.439
   96   1HB   SER  16          2HB       SER  16  -7.490  -3.947   5.832
   97   2HB   SER  16          1HB       SER  16  -6.093  -4.660   5.033
   98    HG   SER  16           HG       SER  16  -6.333  -2.261   5.028
   99    H    GLN  17           H        GLN  17  -8.291  -3.723   1.639
  100    HA   GLN  17           HA       GLN  17  -9.876  -2.303   0.697
  101   1HB   GLN  17          2HB       GLN  17 -11.394  -4.195   1.525
  102   2HB   GLN  17          1HB       GLN  17 -11.738  -3.167   2.916
  103   1HG   GLN  17          2HG       GLN  17 -12.133  -1.378   0.926
  104   2HG   GLN  17          1HG       GLN  17 -12.577  -2.861   0.083
  105   1HE2  GLN  17          1HE2      GLN  17 -14.867  -2.640   0.101
  106   2HE2  GLN  17          2HE2      GLN  17 -15.785  -2.549   1.527
  107    H    SER  18           H        SER  18  -8.085  -1.454   2.969
  108    HA   SER  18           HA       SER  18  -9.687   0.939   3.799
  109   1HB   SER  18          2HB       SER  18  -9.098  -0.836   5.625
  110   2HB   SER  18          1HB       SER  18  -7.467  -0.186   5.497
  111    HG   SER  18           HG       SER  18  -8.161   1.356   6.733
  112    H    CYS  19           H        CYS  19  -8.765   2.100   1.997
  113    HA   CYS  19           HA       CYS  19  -5.886   2.283   1.644
  114   1HB   CYS  19          2HB       CYS  19  -8.263   3.747   0.517
  115   2HB   CYS  19          1HB       CYS  19  -6.628   4.336   0.217
  116    H    THR  20           H        THR  20  -4.527   3.513   2.822
  117    HA   THR  20           HA       THR  20  -5.550   6.016   4.066
  118    HB   THR  20           HB       THR  20  -3.821   3.992   5.501
  119    HG1  THR  20           1HG      THR  20  -6.551   4.684   5.797
  120   1HG2  THR  20          1HG2      THR  20  -3.850   6.650   5.920
  121   2HG2  THR  20          2HG2      THR  20  -3.673   5.487   7.234
  122   3HG2  THR  20          3HG2      THR  20  -5.251   6.195   6.891
  123    H    GLY  21           H        GLY  21  -4.201   7.688   3.608
  124   1HA   GLY  21          2HA       GLY  21  -2.241   8.858   3.039
  125   2HA   GLY  21          1HA       GLY  21  -1.322   7.440   3.548
  126    H    GLY  22           H        GLY  22  -3.860   7.277   1.129
  127   1HA   GLY  22          2HA       GLY  22  -3.779   6.875  -1.182
  128   2HA   GLY  22          1HA       GLY  22  -2.135   7.508  -1.174
  129    H    ARG  23           H        ARG  23  -2.689   4.942   1.070
  130    HA   ARG  23           HA       ARG  23  -1.801   2.883  -0.850
  131   1HB   ARG  23          2HB       ARG  23  -0.029   2.181   0.774
  132   2HB   ARG  23          1HB       ARG  23   0.281   3.750   0.040
  133   1HG   ARG  23          2HG       ARG  23  -0.393   4.917   2.001
  134   2HG   ARG  23          1HG       ARG  23  -1.144   3.477   2.689
  135   1HD   ARG  23          2HD       ARG  23   0.824   3.340   3.844
  136   2HD   ARG  23          1HD       ARG  23   1.393   2.571   2.361
  137    HE   ARG  23           HE       ARG  23   1.745   5.349   2.018
  138   1HH1  ARG  23          1HH2      ARG  23   2.916   2.812   4.123
  139   2HH1  ARG  23          2HH2      ARG  23   4.435   3.595   4.387
  140   1HH2  ARG  23          1HH1      ARG  23   3.725   6.324   2.387
  141   2HH2  ARG  23          2HH1      ARG  23   4.891   5.560   3.415
  142    H    CYS  24           H        CYS  24  -2.088   0.716   0.021
  143    HA   CYS  24           HA       CYS  24  -4.510   0.404   1.520
  144   1HB   CYS  24          2HB       CYS  24  -2.344  -1.664   1.054
  145   2HB   CYS  24          1HB       CYS  24  -4.022  -1.986   1.484
  146    H    ASP  25           H        ASP  25  -4.832   0.003   3.674
  147    HA   ASP  25           HA       ASP  25  -2.901   0.872   5.589
  148   1HB   ASP  25          2HB       ASP  25  -5.522  -0.584   5.739
  149   2HB   ASP  25          1HB       ASP  25  -4.520  -0.471   7.184
  Start of MODEL   12
    1   1H    CYS   1          1HT       CYS   1  -6.291  -9.969  -4.072
    2   2H    CYS   1          2HT       CYS   1  -4.666  -9.799  -3.610
    3   3H    CYS   1          3HT       CYS   1  -5.174  -9.283  -5.147
    4    HA   CYS   1           HA       CYS   1  -6.308  -7.450  -4.319
    5   1HB   CYS   1          2HB       CYS   1  -6.695  -7.186  -1.856
    6   2HB   CYS   1          1HB       CYS   1  -7.534  -8.574  -2.542
    7    H    ILE   2           H        ILE   2  -5.250  -5.511  -3.636
    8    HA   ILE   2           HA       ILE   2  -2.379  -5.600  -3.687
    9    HB   ILE   2           HB       ILE   2  -4.177  -3.337  -2.760
   10   1HG1  ILE   2          2HG1      ILE   2  -3.035  -3.885  -5.517
   11   2HG1  ILE   2          1HG1      ILE   2  -4.702  -4.226  -5.054
   12   1HG2  ILE   2          1HG2      ILE   2  -2.217  -1.959  -3.581
   13   2HG2  ILE   2          2HG2      ILE   2  -1.302  -3.460  -3.708
   14   3HG2  ILE   2          3HG2      ILE   2  -1.887  -2.915  -2.136
   15   1HD1  ILE   2          1HD1      ILE   2  -3.353  -1.594  -5.479
   16   2HD1  ILE   2          2HD1      ILE   2  -4.612  -1.685  -4.247
   17   3HD1  ILE   2          3HD1      ILE   2  -4.983  -2.104  -5.919
   18    HA   PRO   3           HA       PRO   3  -1.909  -6.385   0.714
   19   1HB   PRO   3          2HB       PRO   3   0.816  -6.363   0.773
   20   2HB   PRO   3          1HB       PRO   3  -0.139  -7.716   0.156
   21   1HG   PRO   3          2HG       PRO   3   1.497  -5.759  -1.310
   22   2HG   PRO   3          1HG       PRO   3   0.967  -7.373  -1.800
   23   1HD   PRO   3          2HD       PRO   3  -0.143  -4.860  -2.609
   24   2HD   PRO   3          1HD       PRO   3  -0.732  -6.486  -3.018
   25    H    SER   4           H        SER   4  -0.994  -5.343   2.614
   26    HA   SER   4           HA       SER   4  -1.301  -2.526   2.683
   27   1HB   SER   4          2HB       SER   4  -1.509  -3.926   4.689
   28   2HB   SER   4          1HB       SER   4   0.199  -4.338   4.596
   29    HG   SER   4           HG       SER   4   0.727  -2.269   5.089
   30    H    GLY   5           H        GLY   5   0.128  -0.856   2.350
   31   1HA   GLY   5          2HA       GLY   5   2.423   0.043   2.486
   32   2HA   GLY   5          1HA       GLY   5   3.011  -1.547   2.006
   33    H    GLN   6           H        GLN   6   0.639  -1.582  -0.013
   34    HA   GLN   6           HA       GLN   6   2.164  -0.222  -2.158
   35   1HB   GLN   6          2HB       GLN   6   0.047  -2.350  -2.063
   36   2HB   GLN   6          1HB       GLN   6   0.274  -1.425  -3.546
   37   1HG   GLN   6          2HG       GLN   6   2.732  -1.986  -3.419
   38   2HG   GLN   6          1HG       GLN   6   2.342  -3.090  -2.099
   39   1HE2  GLN   6          1HE2      GLN   6   0.755  -2.390  -5.273
   40   2HE2  GLN   6          2HE2      GLN   6   0.689  -4.015  -5.758
   41    HA   PRO   7           HA       PRO   7  -0.847   3.027  -2.486
   42   1HB   PRO   7          2HB       PRO   7  -0.505   3.738  -5.092
   43   2HB   PRO   7          1HB       PRO   7   0.670   4.096  -3.822
   44   1HG   PRO   7          2HG       PRO   7   0.820   2.138  -6.014
   45   2HG   PRO   7          1HG       PRO   7   2.123   2.896  -5.089
   46   1HD   PRO   7          2HD       PRO   7   1.081   0.257  -4.756
   47   2HD   PRO   7          1HD       PRO   7   2.292   1.072  -3.741
   48    H    CYS   8           H        CYS   8  -2.966   3.388  -3.134
   49    HA   CYS   8           HA       CYS   8  -4.154   1.448  -5.073
   50   1HB   CYS   8          2HB       CYS   8  -6.194   1.420  -3.621
   51   2HB   CYS   8          1HB       CYS   8  -4.781   0.717  -2.837
   52    HA   PRO   9           HA       PRO   9  -6.096   5.059  -6.806
   53   1HB   PRO   9          2HB       PRO   9  -8.242   3.900  -8.031
   54   2HB   PRO   9          1HB       PRO   9  -6.579   3.714  -8.607
   55   1HG   PRO   9          2HG       PRO   9  -8.330   1.752  -7.291
   56   2HG   PRO   9          1HG       PRO   9  -6.905   1.489  -8.305
   57   1HD   PRO   9          2HD       PRO   9  -7.058   1.358  -5.444
   58   2HD   PRO   9          1HD       PRO   9  -5.615   1.166  -6.464
   59    H    TYR  10           H        TYR  10  -8.527   2.874  -5.328
   60    HA   TYR  10           HA       TYR  10  -9.775   5.275  -4.058
   61   1HB   TYR  10          2HB       TYR  10 -11.065   3.054  -5.624
   62   2HB   TYR  10          1HB       TYR  10 -11.965   3.854  -4.334
   63    HD1  TYR  10           1HD      TYR  10 -10.177   4.398  -7.544
   64    HD2  TYR  10           2HD      TYR  10 -12.791   6.088  -4.583
   65    HE1  TYR  10           1HE      TYR  10 -10.662   6.302  -9.058
   66    HE2  TYR  10           2HE      TYR  10 -13.275   7.992  -6.097
   67    HH   TYR  10           HH       TYR  10 -13.140   8.192  -8.899
   68    H    ASN  11           H        ASN  11 -11.402   4.383  -2.274
   69    HA   ASN  11           HA       ASN  11  -9.776   2.663  -0.521
   70   1HB   ASN  11          2HB       ASN  11 -11.010   4.785   0.221
   71   2HB   ASN  11          1HB       ASN  11 -12.491   3.836   0.104
   72   1HD2  ASN  11          1HD2      ASN  11 -11.215   4.927   2.586
   73   2HD2  ASN  11          2HD2      ASN  11 -10.906   3.581   3.572
   74    H    GLU  12           H        GLU  12 -10.439   1.040  -2.509
   75    HA   GLU  12           HA       GLU  12 -12.108  -0.971  -1.270
   76   1HB   GLU  12          2HB       GLU  12 -13.628   0.864  -2.536
   77   2HB   GLU  12          1HB       GLU  12 -13.249  -0.185  -3.904
   78   1HG   GLU  12          2HG       GLU  12 -14.429  -1.959  -3.051
   79   2HG   GLU  12          1HG       GLU  12 -14.057  -1.535  -1.379
   80    H    ASN  13           H        ASN  13  -9.433  -0.684  -2.425
   81    HA   ASN  13           HA       ASN  13  -9.576  -2.962  -4.329
   82   1HB   ASN  13          2HB       ASN  13  -8.418  -0.250  -4.864
   83   2HB   ASN  13          1HB       ASN  13  -7.601  -1.662  -5.537
   84   1HD2  ASN  13          1HD2      ASN  13 -10.878  -0.171  -5.351
   85   2HD2  ASN  13          2HD2      ASN  13 -11.387  -0.749  -6.864
   86    H    CYS  14           H        CYS  14  -8.852  -2.824  -1.539
   87    HA   CYS  14           HA       CYS  14  -5.953  -3.550  -1.729
   88   1HB   CYS  14          2HB       CYS  14  -7.452  -2.072   0.443
   89   2HB   CYS  14          1HB       CYS  14  -5.903  -2.844   0.740
   90    H    CYS  15           H        CYS  15  -5.341  -5.106   0.110
   91    HA   CYS  15           HA       CYS  15  -7.114  -7.371   0.102
   92   1HB   CYS  15          2HB       CYS  15  -4.673  -6.663   1.740
   93   2HB   CYS  15          1HB       CYS  15  -5.519  -8.193   1.911
   94    H    SER  16           H        SER  16  -6.377  -4.813   2.404
   95    HA   SER  16           HA       SER  16  -8.374  -5.824   4.334
   96   1HB   SER  16          2HB       SER  16  -7.536  -4.139   5.809
   97   2HB   SER  16          1HB       SER  16  -6.132  -4.832   5.007
   98    HG   SER  16           HG       SER  16  -7.260  -2.312   4.802
   99    H    GLN  17           H        GLN  17  -8.357  -3.849   1.578
  100    HA   GLN  17           HA       GLN  17  -9.930  -2.413   0.661
  101   1HB   GLN  17          2HB       GLN  17 -11.447  -4.266   1.644
  102   2HB   GLN  17          1HB       GLN  17 -11.774  -3.113   2.937
  103   1HG   GLN  17          2HG       GLN  17 -12.307  -1.438   1.033
  104   2HG   GLN  17          1HG       GLN  17 -12.397  -2.862  -0.002
  105   1HE2  GLN  17          1HE2      GLN  17 -14.352  -0.864   1.775
  106   2HE2  GLN  17          2HE2      GLN  17 -15.589  -1.955   2.175
  107    H    SER  18           H        SER  18  -8.096  -1.626   3.003
  108    HA   SER  18           HA       SER  18  -9.594   0.860   3.744
  109   1HB   SER  18          2HB       SER  18  -9.099  -0.772   5.653
  110   2HB   SER  18          1HB       SER  18  -7.396  -0.408   5.395
  111    HG   SER  18           HG       SER  18  -7.997   1.834   5.671
  112    H    CYS  19           H        CYS  19  -8.744   2.322   2.297
  113    HA   CYS  19           HA       CYS  19  -5.849   2.255   1.693
  114   1HB   CYS  19          2HB       CYS  19  -8.235   3.669   0.541
  115   2HB   CYS  19          1HB       CYS  19  -6.619   4.300   0.225
  116    H    THR  20           H        THR  20  -4.587   3.249   3.187
  117    HA   THR  20           HA       THR  20  -5.542   5.839   4.328
  118    HB   THR  20           HB       THR  20  -5.207   4.059   6.016
  119    HG1  THR  20           1HG      THR  20  -3.171   6.026   6.107
  120   1HG2  THR  20          1HG2      THR  20  -3.032   3.093   6.425
  121   2HG2  THR  20          2HG2      THR  20  -2.293   4.114   5.194
  122   3HG2  THR  20          3HG2      THR  20  -3.420   2.841   4.724
  123    H    GLY  21           H        GLY  21  -4.430   7.602   3.652
  124   1HA   GLY  21          2HA       GLY  21  -2.674   8.936   2.836
  125   2HA   GLY  21          1HA       GLY  21  -1.567   7.644   3.300
  126    H    GLY  22           H        GLY  22  -4.272   7.085   1.137
  127   1HA   GLY  22          2HA       GLY  22  -4.348   6.665  -1.176
  128   2HA   GLY  22          1HA       GLY  22  -2.758   7.409  -1.312
  129    H    ARG  23           H        ARG  23  -2.950   4.874   1.022
  130    HA   ARG  23           HA       ARG  23  -2.042   2.844  -0.927
  131   1HB   ARG  23          2HB       ARG  23  -0.170   2.263   0.642
  132   2HB   ARG  23          1HB       ARG  23   0.023   3.832  -0.131
  133   1HG   ARG  23          2HG       ARG  23  -0.689   4.989   1.840
  134   2HG   ARG  23          1HG       ARG  23  -1.250   3.496   2.593
  135   1HD   ARG  23          2HD       ARG  23   0.857   2.859   3.219
  136   2HD   ARG  23          1HD       ARG  23   1.604   3.544   1.776
  137    HE   ARG  23           HE       ARG  23   1.260   4.897   4.320
  138   1HH1  ARG  23          1HH2      ARG  23   1.426   5.361   0.858
  139   2HH1  ARG  23          2HH2      ARG  23   1.958   6.999   1.002
  140   1HH2  ARG  23          1HH1      ARG  23   1.950   7.021   4.460
  141   2HH2  ARG  23          2HH1      ARG  23   2.252   7.931   3.018
  142    H    CYS  24           H        CYS  24  -2.136   0.662   0.009
  143    HA   CYS  24           HA       CYS  24  -4.506   0.233   1.559
  144   1HB   CYS  24          2HB       CYS  24  -2.217  -1.700   1.129
  145   2HB   CYS  24          1HB       CYS  24  -3.865  -2.116   1.585
  146    H    ASP  25           H        ASP  25  -4.782  -0.033   3.719
  147    HA   ASP  25           HA       ASP  25  -2.851   0.976   5.567
  148   1HB   ASP  25          2HB       ASP  25  -5.451  -0.501   5.818
  149   2HB   ASP  25          1HB       ASP  25  -4.442  -0.287   7.247
  Start of MODEL   13
    1   1H    CYS   1          1HT       CYS   1  -5.168  -9.284  -5.310
    2   2H    CYS   1          2HT       CYS   1  -6.336  -9.924  -4.257
    3   3H    CYS   1          3HT       CYS   1  -4.722  -9.772  -3.749
    4    HA   CYS   1           HA       CYS   1  -6.268  -7.402  -4.578
    5   1HB   CYS   1          2HB       CYS   1  -6.782  -7.077  -2.138
    6   2HB   CYS   1          1HB       CYS   1  -7.643  -8.433  -2.864
    7    H    ILE   2           H        ILE   2  -5.248  -5.477  -3.734
    8    HA   ILE   2           HA       ILE   2  -2.360  -5.652  -3.625
    9    HB   ILE   2           HB       ILE   2  -4.149  -3.298  -2.949
   10   1HG1  ILE   2          2HG1      ILE   2  -2.857  -3.971  -5.607
   11   2HG1  ILE   2          1HG1      ILE   2  -4.535  -4.358  -5.225
   12   1HG2  ILE   2          1HG2      ILE   2  -2.029  -2.640  -2.273
   13   2HG2  ILE   2          2HG2      ILE   2  -1.978  -2.175  -3.974
   14   3HG2  ILE   2          3HG2      ILE   2  -1.219  -3.677  -3.446
   15   1HD1  ILE   2          1HD1      ILE   2  -3.482  -1.556  -4.873
   16   2HD1  ILE   2          2HD1      ILE   2  -5.151  -2.090  -5.068
   17   3HD1  ILE   2          3HD1      ILE   2  -4.051  -2.118  -6.445
   18    HA   PRO   3           HA       PRO   3  -2.304  -6.215   0.847
   19   1HB   PRO   3          2HB       PRO   3   0.404  -6.392   1.121
   20   2HB   PRO   3          1HB       PRO   3  -0.604  -7.708   0.508
   21   1HG   PRO   3          2HG       PRO   3   1.284  -5.973  -0.933
   22   2HG   PRO   3          1HG       PRO   3   0.669  -7.573  -1.368
   23   1HD   PRO   3          2HD       PRO   3  -0.179  -5.044  -2.410
   24   2HD   PRO   3          1HD       PRO   3  -0.860  -6.646  -2.770
   25    H    SER   4           H        SER   4  -1.310  -5.135   2.762
   26    HA   SER   4           HA       SER   4  -1.485  -2.305   2.639
   27   1HB   SER   4          2HB       SER   4  -0.724  -2.321   4.938
   28   2HB   SER   4          1HB       SER   4  -1.775  -3.715   4.704
   29    HG   SER   4           HG       SER   4   0.462  -3.920   5.743
   30    H    GLY   5           H        GLY   5   0.097  -0.701   2.497
   31   1HA   GLY   5          2HA       GLY   5   2.428   0.043   2.554
   32   2HA   GLY   5          1HA       GLY   5   2.915  -1.596   2.123
   33    H    GLN   6           H        GLN   6   0.611  -1.635   0.094
   34    HA   GLN   6           HA       GLN   6   2.177  -0.429  -2.101
   35   1HB   GLN   6          2HB       GLN   6  -0.092  -2.380  -1.893
   36   2HB   GLN   6          1HB       GLN   6   0.168  -1.535  -3.417
   37   1HG   GLN   6          2HG       GLN   6   2.311  -3.082  -1.940
   38   2HG   GLN   6          1HG       GLN   6   1.371  -3.726  -3.287
   39   1HE2  GLN   6          1HE2      GLN   6   1.604  -2.572  -5.416
   40   2HE2  GLN   6          2HE2      GLN   6   3.037  -1.725  -5.748
   41    HA   PRO   7           HA       PRO   7  -0.590   3.002  -2.609
   42   1HB   PRO   7          2HB       PRO   7  -0.474   3.404  -5.302
   43   2HB   PRO   7          1HB       PRO   7   0.864   3.762  -4.202
   44   1HG   PRO   7          2HG       PRO   7   0.588   1.594  -6.170
   45   2HG   PRO   7          1HG       PRO   7   2.050   2.286  -5.454
   46   1HD   PRO   7          2HD       PRO   7   0.766  -0.173  -4.744
   47   2HD   PRO   7          1HD       PRO   7   2.174   0.577  -3.959
   48    H    CYS   8           H        CYS   8  -2.713   3.548  -3.101
   49    HA   CYS   8           HA       CYS   8  -4.303   1.809  -4.877
   50   1HB   CYS   8          2HB       CYS   8  -6.085   1.648  -3.064
   51   2HB   CYS   8          1HB       CYS   8  -4.653   0.658  -2.808
   52    HA   PRO   9           HA       PRO   9  -6.095   5.856  -5.586
   53   1HB   PRO   9          2HB       PRO   9  -8.021   5.092  -7.362
   54   2HB   PRO   9          1HB       PRO   9  -6.303   5.192  -7.776
   55   1HG   PRO   9          2HG       PRO   9  -7.998   2.818  -7.394
   56   2HG   PRO   9          1HG       PRO   9  -6.481   2.989  -8.286
   57   1HD   PRO   9          2HD       PRO   9  -6.845   1.862  -5.678
   58   2HD   PRO   9          1HD       PRO   9  -5.313   2.129  -6.539
   59    H    TYR  10           H        TYR  10  -8.684   3.369  -5.550
   60    HA   TYR  10           HA       TYR  10 -10.355   5.193  -3.916
   61   1HB   TYR  10          2HB       TYR  10 -10.850   2.835  -5.675
   62   2HB   TYR  10          1HB       TYR  10 -11.973   3.094  -4.341
   63    HD1  TYR  10           1HD      TYR  10 -10.787   4.319  -7.566
   64    HD2  TYR  10           2HD      TYR  10 -13.228   5.242  -4.154
   65    HE1  TYR  10           1HE      TYR  10 -11.902   6.122  -8.851
   66    HE2  TYR  10           2HE      TYR  10 -14.343   7.045  -5.440
   67    HH   TYR  10           HH       TYR  10 -14.175   7.318  -8.746
   68    H    ASN  11           H        ASN  11 -11.877   3.535  -2.415
   69    HA   ASN  11           HA       ASN  11  -9.883   2.243  -0.607
   70   1HB   ASN  11          2HB       ASN  11 -11.604   4.221   0.030
   71   2HB   ASN  11          1HB       ASN  11 -12.632   2.826   0.355
   72   1HD2  ASN  11          1HD2      ASN  11 -11.324   4.715   2.319
   73   2HD2  ASN  11          2HD2      ASN  11 -10.392   3.724   3.334
   74    H    GLU  12           H        GLU  12 -10.918   0.905  -2.916
   75    HA   GLU  12           HA       GLU  12 -12.260  -1.371  -1.566
   76   1HB   GLU  12          2HB       GLU  12 -13.856  -1.566  -3.482
   77   2HB   GLU  12          1HB       GLU  12 -14.099  -0.098  -2.534
   78   1HG   GLU  12          2HG       GLU  12 -13.326   1.279  -4.207
   79   2HG   GLU  12          1HG       GLU  12 -12.208   0.067  -4.834
   80    H    ASN  13           H        ASN  13  -9.539  -0.811  -2.670
   81    HA   ASN  13           HA       ASN  13  -9.449  -3.098  -4.587
   82   1HB   ASN  13          2HB       ASN  13  -8.045  -0.428  -4.822
   83   2HB   ASN  13          1HB       ASN  13  -7.547  -1.853  -5.733
   84   1HD2  ASN  13          1HD2      ASN  13  -9.331   0.884  -6.124
   85   2HD2  ASN  13          2HD2      ASN  13 -10.494   0.327  -7.228
   86    H    CYS  14           H        CYS  14  -8.824  -2.639  -1.601
   87    HA   CYS  14           HA       CYS  14  -5.981  -3.566  -1.690
   88   1HB   CYS  14          2HB       CYS  14  -7.484  -2.164   0.542
   89   2HB   CYS  14          1HB       CYS  14  -5.832  -2.756   0.657
   90    H    CYS  15           H        CYS  15  -5.451  -5.200  -0.001
   91    HA   CYS  15           HA       CYS  15  -7.327  -7.363   0.049
   92   1HB   CYS  15          2HB       CYS  15  -4.838  -6.802   1.677
   93   2HB   CYS  15          1HB       CYS  15  -5.720  -8.320   1.738
   94    H    SER  16           H        SER  16  -6.358  -4.929   2.419
   95    HA   SER  16           HA       SER  16  -8.390  -5.881   4.346
   96   1HB   SER  16          2HB       SER  16  -7.370  -4.379   5.897
   97   2HB   SER  16          1HB       SER  16  -6.051  -5.134   5.010
   98    HG   SER  16           HG       SER  16  -5.544  -3.073   4.757
   99    H    GLN  17           H        GLN  17  -8.320  -3.805   1.683
  100    HA   GLN  17           HA       GLN  17  -9.785  -2.157   0.928
  101   1HB   GLN  17          2HB       GLN  17 -11.471  -3.860   1.770
  102   2HB   GLN  17          1HB       GLN  17 -11.535  -2.936   3.272
  103   1HG   GLN  17          2HG       GLN  17 -12.507  -1.076   2.243
  104   2HG   GLN  17          1HG       GLN  17 -11.918  -1.532   0.643
  105   1HE2  GLN  17          1HE2      GLN  17 -13.796  -3.385   3.111
  106   2HE2  GLN  17          2HE2      GLN  17 -15.064  -3.783   2.056
  107    H    SER  18           H        SER  18  -7.766  -1.683   3.206
  108    HA   SER  18           HA       SER  18  -9.054   0.735   4.396
  109   1HB   SER  18          2HB       SER  18  -7.855  -1.196   5.775
  110   2HB   SER  18          1HB       SER  18  -6.402  -0.305   5.327
  111    HG   SER  18           HG       SER  18  -8.702   0.695   6.666
  112    H    CYS  19           H        CYS  19  -8.535   1.348   1.936
  113    HA   CYS  19           HA       CYS  19  -5.816   2.049   1.277
  114   1HB   CYS  19          2HB       CYS  19  -7.672   1.770  -0.394
  115   2HB   CYS  19          1HB       CYS  19  -8.384   3.266   0.208
  116    H    THR  20           H        THR  20  -4.755   3.419   2.665
  117    HA   THR  20           HA       THR  20  -6.006   6.080   3.162
  118    HB   THR  20           HB       THR  20  -4.349   4.772   5.289
  119    HG1  THR  20           1HG      THR  20  -5.882   3.269   5.140
  120   1HG2  THR  20          1HG2      THR  20  -6.739   6.547   5.665
  121   2HG2  THR  20          2HG2      THR  20  -5.202   7.251   5.162
  122   3HG2  THR  20          3HG2      THR  20  -5.313   6.371   6.686
  123    H    GLY  21           H        GLY  21  -4.511   7.802   3.230
  124   1HA   GLY  21          2HA       GLY  21  -2.513   8.927   2.738
  125   2HA   GLY  21          1HA       GLY  21  -1.674   7.515   3.382
  126    H    GLY  22           H        GLY  22  -3.918   7.265   0.700
  127   1HA   GLY  22          2HA       GLY  22  -3.568   6.823  -1.578
  128   2HA   GLY  22          1HA       GLY  22  -1.935   7.455  -1.394
  129    H    ARG  23           H        ARG  23  -2.497   5.022   0.912
  130    HA   ARG  23           HA       ARG  23  -1.577   2.861  -0.887
  131   1HB   ARG  23          2HB       ARG  23   0.113   2.233   0.877
  132   2HB   ARG  23          1HB       ARG  23   0.480   3.724   0.020
  133   1HG   ARG  23          2HG       ARG  23  -0.211   5.073   1.846
  134   2HG   ARG  23          1HG       ARG  23  -1.049   3.730   2.622
  135   1HD   ARG  23          2HD       ARG  23   1.327   2.620   2.662
  136   2HD   ARG  23          1HD       ARG  23   1.902   4.275   2.464
  137    HE   ARG  23           HE       ARG  23   0.081   4.428   4.557
  138   1HH1  ARG  23          1HH2      ARG  23   2.963   2.559   3.897
  139   2HH1  ARG  23          2HH2      ARG  23   3.382   2.427   5.568
  140   1HH2  ARG  23          1HH1      ARG  23   0.660   4.232   6.709
  141   2HH2  ARG  23          2HH1      ARG  23   2.094   3.363   7.145
  142    H    CYS  24           H        CYS  24  -2.010   0.757  -0.020
  143    HA   CYS  24           HA       CYS  24  -4.424   0.599   1.545
  144   1HB   CYS  24          2HB       CYS  24  -2.466  -1.625   0.922
  145   2HB   CYS  24          1HB       CYS  24  -4.145  -1.816   1.412
  146    H    ASP  25           H        ASP  25  -4.681   0.216   3.695
  147    HA   ASP  25           HA       ASP  25  -2.220   0.241   5.373
  148   1HB   ASP  25          2HB       ASP  25  -5.051   1.149   5.779
  149   2HB   ASP  25          1HB       ASP  25  -4.076   0.721   7.183
  Start of MODEL   14
    1   1H    CYS   1          1HT       CYS   1  -5.256  -9.398  -5.233
    2   2H    CYS   1          2HT       CYS   1  -6.332 -10.033  -4.082
    3   3H    CYS   1          3HT       CYS   1  -4.689  -9.835  -3.696
    4    HA   CYS   1           HA       CYS   1  -6.288  -7.498  -4.494
    5   1HB   CYS   1          2HB       CYS   1  -6.770  -7.140  -2.055
    6   2HB   CYS   1          1HB       CYS   1  -7.630  -8.515  -2.742
    7    H    ILE   2           H        ILE   2  -5.237  -5.564  -3.747
    8    HA   ILE   2           HA       ILE   2  -2.361  -5.720  -3.683
    9    HB   ILE   2           HB       ILE   2  -4.165  -3.398  -2.932
   10   1HG1  ILE   2          2HG1      ILE   2  -2.827  -3.867  -5.598
   11   2HG1  ILE   2          1HG1      ILE   2  -4.437  -4.502  -5.258
   12   1HG2  ILE   2          1HG2      ILE   2  -1.986  -2.852  -2.203
   13   2HG2  ILE   2          2HG2      ILE   2  -2.080  -2.137  -3.811
   14   3HG2  ILE   2          3HG2      ILE   2  -1.229  -3.663  -3.573
   15   1HD1  ILE   2          1HD1      ILE   2  -5.077  -2.455  -6.073
   16   2HD1  ILE   2          2HD1      ILE   2  -3.550  -1.687  -5.635
   17   3HD1  ILE   2          3HD1      ILE   2  -4.782  -1.966  -4.404
   18    HA   PRO   3           HA       PRO   3  -2.116  -6.341   0.769
   19   1HB   PRO   3          2HB       PRO   3   0.602  -6.379   0.954
   20   2HB   PRO   3          1HB       PRO   3  -0.354  -7.733   0.342
   21   1HG   PRO   3          2HG       PRO   3   1.396  -5.871  -1.114
   22   2HG   PRO   3          1HG       PRO   3   0.849  -7.489  -1.570
   23   1HD   PRO   3          2HD       PRO   3  -0.159  -4.980  -2.519
   24   2HD   PRO   3          1HD       PRO   3  -0.766  -6.607  -2.903
   25    H    SER   4           H        SER   4  -1.188  -5.247   2.674
   26    HA   SER   4           HA       SER   4  -1.457  -2.420   2.600
   27   1HB   SER   4          2HB       SER   4  -0.673  -2.455   4.902
   28   2HB   SER   4          1HB       SER   4  -1.724  -3.845   4.642
   29    HG   SER   4           HG       SER   4   0.825  -3.797   5.415
   30    H    GLY   5           H        GLY   5   0.074  -0.765   2.484
   31   1HA   GLY   5          2HA       GLY   5   2.373   0.058   2.561
   32   2HA   GLY   5          1HA       GLY   5   2.924  -1.561   2.129
   33    H    GLN   6           H        GLN   6   0.614  -1.628   0.071
   34    HA   GLN   6           HA       GLN   6   2.191  -0.393  -2.100
   35   1HB   GLN   6          2HB       GLN   6  -0.076  -2.356  -1.936
   36   2HB   GLN   6          1HB       GLN   6   0.209  -1.497  -3.449
   37   1HG   GLN   6          2HG       GLN   6   1.461  -3.566  -3.528
   38   2HG   GLN   6          1HG       GLN   6   2.614  -2.245  -3.329
   39   1HE2  GLN   6          1HE2      GLN   6   4.156  -3.735  -2.277
   40   2HE2  GLN   6          2HE2      GLN   6   3.905  -4.250  -0.680
   41    HA   PRO   7           HA       PRO   7  -0.595   3.026  -2.600
   42   1HB   PRO   7          2HB       PRO   7  -0.450   3.457  -5.286
   43   2HB   PRO   7          1HB       PRO   7   0.871   3.815  -4.167
   44   1HG   PRO   7          2HG       PRO   7   0.637   1.665  -6.160
   45   2HG   PRO   7          1HG       PRO   7   2.084   2.365  -5.422
   46   1HD   PRO   7          2HD       PRO   7   0.820  -0.114  -4.751
   47   2HD   PRO   7          1HD       PRO   7   2.208   0.643  -3.940
   48    H    CYS   8           H        CYS   8  -2.720   3.548  -3.099
   49    HA   CYS   8           HA       CYS   8  -4.268   1.856  -4.945
   50   1HB   CYS   8          2HB       CYS   8  -6.044   1.537  -3.157
   51   2HB   CYS   8          1HB       CYS   8  -4.579   0.589  -2.934
   52    HA   PRO   9           HA       PRO   9  -6.167   5.889  -5.421
   53   1HB   PRO   9          2HB       PRO   9  -8.057   5.178  -7.260
   54   2HB   PRO   9          1HB       PRO   9  -6.340   5.362  -7.649
   55   1HG   PRO   9          2HG       PRO   9  -7.956   2.915  -7.454
   56   2HG   PRO   9          1HG       PRO   9  -6.423   3.190  -8.292
   57   1HD   PRO   9          2HD       PRO   9  -6.824   1.900  -5.759
   58   2HD   PRO   9          1HD       PRO   9  -5.284   2.234  -6.579
   59    H    TYR  10           H        TYR  10  -8.873   3.589  -5.816
   60    HA   TYR  10           HA       TYR  10 -10.574   5.186  -4.075
   61   1HB   TYR  10          2HB       TYR  10 -10.877   2.722  -5.737
   62   2HB   TYR  10          1HB       TYR  10 -12.035   2.971  -4.430
   63    HD1  TYR  10           1HD      TYR  10 -10.482   4.681  -7.370
   64    HD2  TYR  10           2HD      TYR  10 -13.835   4.467  -4.694
   65    HE1  TYR  10           1HE      TYR  10 -11.697   6.338  -8.759
   66    HE2  TYR  10           2HE      TYR  10 -15.050   6.123  -6.084
   67    HH   TYR  10           HH       TYR  10 -14.265   6.875  -9.154
   68    H    ASN  11           H        ASN  11 -11.975   3.492  -2.514
   69    HA   ASN  11           HA       ASN  11  -9.904   2.357  -0.682
   70   1HB   ASN  11          2HB       ASN  11 -11.563   4.327  -0.034
   71   2HB   ASN  11          1HB       ASN  11 -12.676   2.987   0.244
   72   1HD2  ASN  11          1HD2      ASN  11 -11.270   4.808   2.242
   73   2HD2  ASN  11          2HD2      ASN  11 -10.454   3.749   3.287
   74    H    GLU  12           H        GLU  12 -10.946   0.885  -2.905
   75    HA   GLU  12           HA       GLU  12 -12.174  -1.369  -1.426
   76   1HB   GLU  12          2HB       GLU  12 -13.853  -1.683  -3.258
   77   2HB   GLU  12          1HB       GLU  12 -14.102  -0.195  -2.343
   78   1HG   GLU  12          2HG       GLU  12 -12.984   1.108  -4.073
   79   2HG   GLU  12          1HG       GLU  12 -12.591  -0.362  -4.967
   80    H    ASN  13           H        ASN  13  -9.531  -0.781  -2.659
   81    HA   ASN  13           HA       ASN  13  -9.461  -3.103  -4.537
   82   1HB   ASN  13          2HB       ASN  13  -8.006  -0.458  -4.818
   83   2HB   ASN  13          1HB       ASN  13  -7.650  -1.887  -5.788
   84   1HD2  ASN  13          1HD2      ASN  13  -9.374   0.948  -5.913
   85   2HD2  ASN  13          2HD2      ASN  13 -10.609   0.481  -6.980
   86    H    CYS  14           H        CYS  14  -8.842  -2.735  -1.599
   87    HA   CYS  14           HA       CYS  14  -5.973  -3.579  -1.693
   88   1HB   CYS  14          2HB       CYS  14  -7.479  -2.155   0.523
   89   2HB   CYS  14          1HB       CYS  14  -5.822  -2.730   0.643
   90    H    CYS  15           H        CYS  15  -5.411  -5.187   0.019
   91    HA   CYS  15           HA       CYS  15  -7.270  -7.365   0.115
   92   1HB   CYS  15          2HB       CYS  15  -4.773  -6.754   1.710
   93   2HB   CYS  15          1HB       CYS  15  -5.649  -8.272   1.824
   94    H    SER  16           H        SER  16  -6.314  -4.879   2.436
   95    HA   SER  16           HA       SER  16  -8.318  -5.813   4.397
   96   1HB   SER  16          2HB       SER  16  -7.318  -4.247   5.899
   97   2HB   SER  16          1HB       SER  16  -5.992  -5.004   5.026
   98    HG   SER  16           HG       SER  16  -5.828  -3.200   3.743
   99    H    GLN  17           H        GLN  17  -8.298  -3.798   1.684
  100    HA   GLN  17           HA       GLN  17  -9.787  -2.193   0.893
  101   1HB   GLN  17          2HB       GLN  17 -11.397  -3.966   1.860
  102   2HB   GLN  17          1HB       GLN  17 -11.569  -2.868   3.228
  103   1HG   GLN  17          2HG       GLN  17 -11.986  -1.071   1.338
  104   2HG   GLN  17          1HG       GLN  17 -12.411  -2.487   0.376
  105   1HE2  GLN  17          1HE2      GLN  17 -14.482  -3.366   0.697
  106   2HE2  GLN  17          2HE2      GLN  17 -15.533  -2.904   1.947
  107    H    SER  18           H        SER  18  -7.791  -1.630   3.160
  108    HA   SER  18           HA       SER  18  -9.138   0.788   4.289
  109   1HB   SER  18          2HB       SER  18  -7.901  -1.136   5.701
  110   2HB   SER  18          1HB       SER  18  -6.499  -0.137   5.331
  111    HG   SER  18           HG       SER  18  -7.421   1.548   6.378
  112    H    CYS  19           H        CYS  19  -8.578   1.403   1.854
  113    HA   CYS  19           HA       CYS  19  -5.844   2.077   1.230
  114   1HB   CYS  19          2HB       CYS  19  -7.716   1.796  -0.448
  115   2HB   CYS  19          1HB       CYS  19  -8.360   3.342   0.102
  116    H    THR  20           H        THR  20  -4.816   3.433   2.667
  117    HA   THR  20           HA       THR  20  -6.023   6.128   3.066
  118    HB   THR  20           HB       THR  20  -4.524   4.803   5.299
  119    HG1  THR  20           1HG      THR  20  -7.320   4.643   4.887
  120   1HG2  THR  20          1HG2      THR  20  -6.758   6.847   5.235
  121   2HG2  THR  20          2HG2      THR  20  -5.042   7.238   5.343
  122   3HG2  THR  20          3HG2      THR  20  -5.831   6.357   6.652
  123    H    GLY  21           H        GLY  21  -4.459   7.808   3.286
  124   1HA   GLY  21          2HA       GLY  21  -2.397   8.860   2.902
  125   2HA   GLY  21          1HA       GLY  21  -1.642   7.390   3.522
  126    H    GLY  22           H        GLY  22  -3.809   7.342   0.765
  127   1HA   GLY  22          2HA       GLY  22  -3.415   6.931  -1.511
  128   2HA   GLY  22          1HA       GLY  22  -1.773   7.522  -1.270
  129    H    ARG  23           H        ARG  23  -2.521   5.018   0.931
  130    HA   ARG  23           HA       ARG  23  -1.593   2.888  -0.888
  131   1HB   ARG  23          2HB       ARG  23   0.099   2.199   0.817
  132   2HB   ARG  23          1HB       ARG  23   0.467   3.743   0.063
  133   1HG   ARG  23          2HG       ARG  23  -0.907   4.715   2.104
  134   2HG   ARG  23          1HG       ARG  23  -0.485   3.172   2.847
  135   1HD   ARG  23          2HD       ARG  23   1.702   4.661   1.473
  136   2HD   ARG  23          1HD       ARG  23   1.125   5.310   3.008
  137    HE   ARG  23           HE       ARG  23   1.504   2.616   3.529
  138   1HH1  ARG  23          1HH2      ARG  23   3.502   5.183   2.244
  139   2HH1  ARG  23          2HH2      ARG  23   4.961   4.490   2.859
  140   1HH2  ARG  23          1HH1      ARG  23   3.417   1.755   4.305
  141   2HH2  ARG  23          2HH1      ARG  23   4.916   2.571   4.012
  142    H    CYS  24           H        CYS  24  -2.007   0.765  -0.005
  143    HA   CYS  24           HA       CYS  24  -4.460   0.615   1.506
  144   1HB   CYS  24          2HB       CYS  24  -2.494  -1.609   0.907
  145   2HB   CYS  24          1HB       CYS  24  -4.179  -1.803   1.377
  146    H    ASP  25           H        ASP  25  -4.759   0.214   3.651
  147    HA   ASP  25           HA       ASP  25  -2.320   0.176   5.368
  148   1HB   ASP  25          2HB       ASP  25  -5.107   1.232   5.723
  149   2HB   ASP  25          1HB       ASP  25  -4.177   0.768   7.144
  Start of MODEL   15
    1   1H    CYS   1          1HT       CYS   1  -6.281  -9.848  -4.244
    2   2H    CYS   1          2HT       CYS   1  -4.672  -9.689  -3.722
    3   3H    CYS   1          3HT       CYS   1  -5.121  -9.163  -5.274
    4    HA   CYS   1           HA       CYS   1  -6.266  -7.324  -4.484
    5   1HB   CYS   1          2HB       CYS   1  -6.751  -7.069  -2.033
    6   2HB   CYS   1          1HB       CYS   1  -7.587  -8.431  -2.774
    7    H    ILE   2           H        ILE   2  -5.236  -5.400  -3.717
    8    HA   ILE   2           HA       ILE   2  -2.362  -5.513  -3.636
    9    HB   ILE   2           HB       ILE   2  -4.207  -3.239  -2.837
   10   1HG1  ILE   2          2HG1      ILE   2  -2.883  -3.817  -5.506
   11   2HG1  ILE   2          1HG1      ILE   2  -4.579  -4.146  -5.149
   12   1HG2  ILE   2          1HG2      ILE   2  -1.301  -3.271  -3.713
   13   2HG2  ILE   2          2HG2      ILE   2  -1.881  -2.941  -2.081
   14   3HG2  ILE   2          3HG2      ILE   2  -2.255  -1.823  -3.392
   15   1HD1  ILE   2          1HD1      ILE   2  -3.704  -1.805  -6.218
   16   2HD1  ILE   2          2HD1      ILE   2  -3.650  -1.406  -4.501
   17   3HD1  ILE   2          3HD1      ILE   2  -5.162  -1.939  -5.237
   18    HA   PRO   3           HA       PRO   3  -2.152  -6.257   0.803
   19   1HB   PRO   3          2HB       PRO   3   0.565  -6.374   0.986
   20   2HB   PRO   3          1HB       PRO   3  -0.426  -7.690   0.348
   21   1HG   PRO   3          2HG       PRO   3   1.373  -5.849  -1.074
   22   2HG   PRO   3          1HG       PRO   3   0.780  -7.442  -1.561
   23   1HD   PRO   3          2HD       PRO   3  -0.158  -4.888  -2.457
   24   2HD   PRO   3          1HD       PRO   3  -0.808  -6.487  -2.875
   25    H    SER   4           H        SER   4  -1.152  -5.222   2.724
   26    HA   SER   4           HA       SER   4  -1.367  -2.389   2.700
   27   1HB   SER   4          2HB       SER   4  -1.679  -3.633   4.763
   28   2HB   SER   4          1HB       SER   4  -0.029  -4.246   4.688
   29    HG   SER   4           HG       SER   4  -0.700  -2.192   5.976
   30    H    GLY   5           H        GLY   5   0.186  -0.765   2.537
   31   1HA   GLY   5          2HA       GLY   5   2.497   0.025   2.588
   32   2HA   GLY   5          1HA       GLY   5   3.019  -1.604   2.160
   33    H    GLN   6           H        GLN   6   0.718  -1.679   0.115
   34    HA   GLN   6           HA       GLN   6   2.279  -0.442  -2.067
   35   1HB   GLN   6          2HB       GLN   6   0.039  -2.435  -1.896
   36   2HB   GLN   6          1HB       GLN   6   0.319  -1.580  -3.410
   37   1HG   GLN   6          2HG       GLN   6   2.851  -2.282  -2.848
   38   2HG   GLN   6          1HG       GLN   6   2.004  -3.606  -2.050
   39   1HE2  GLN   6          1HE2      GLN   6   3.455  -2.965  -4.908
   40   2HE2  GLN   6          2HE2      GLN   6   2.477  -3.869  -5.961
   41    HA   PRO   7           HA       PRO   7  -0.561   2.929  -2.586
   42   1HB   PRO   7          2HB       PRO   7  -0.401   3.357  -5.271
   43   2HB   PRO   7          1HB       PRO   7   0.908   3.734  -4.142
   44   1HG   PRO   7          2HG       PRO   7   0.724   1.588  -6.142
   45   2HG   PRO   7          1HG       PRO   7   2.153   2.295  -5.375
   46   1HD   PRO   7          2HD       PRO   7   0.879  -0.195  -4.733
   47   2HD   PRO   7          1HD       PRO   7   2.270   0.553  -3.918
   48    H    CYS   8           H        CYS   8  -2.683   3.427  -3.107
   49    HA   CYS   8           HA       CYS   8  -4.202   1.616  -4.897
   50   1HB   CYS   8          2HB       CYS   8  -6.065   1.607  -3.129
   51   2HB   CYS   8          1HB       CYS   8  -4.681   0.567  -2.819
   52    HA   PRO   9           HA       PRO   9  -6.142   5.469  -5.958
   53   1HB   PRO   9          2HB       PRO   9  -8.359   4.506  -7.229
   54   2HB   PRO   9          1HB       PRO   9  -6.731   4.424  -7.915
   55   1HG   PRO   9          2HG       PRO   9  -8.412   2.267  -6.841
   56   2HG   PRO   9          1HG       PRO   9  -7.034   2.177  -7.947
   57   1HD   PRO   9          2HD       PRO   9  -7.059   1.607  -5.132
   58   2HD   PRO   9          1HD       PRO   9  -5.668   1.570  -6.237
   59    H    TYR  10           H        TYR  10  -9.029   3.456  -5.357
   60    HA   TYR  10           HA       TYR  10  -9.909   5.495  -3.356
   61   1HB   TYR  10          2HB       TYR  10 -11.434   3.711  -5.257
   62   2HB   TYR  10          1HB       TYR  10 -12.220   4.481  -3.880
   63    HD1  TYR  10           1HD      TYR  10 -11.682   7.074  -3.606
   64    HD2  TYR  10           2HD      TYR  10 -11.361   4.871  -7.279
   65    HE1  TYR  10           1HE      TYR  10 -11.863   9.188  -4.890
   66    HE2  TYR  10           2HE      TYR  10 -11.541   6.985  -8.563
   67    HH   TYR  10           HH       TYR  10 -11.070   9.957  -7.284
   68    H    ASN  11           H        ASN  11 -11.683   4.337  -1.843
   69    HA   ASN  11           HA       ASN  11 -10.197   2.275  -0.390
   70   1HB   ASN  11          2HB       ASN  11 -11.527   4.175   0.676
   71   2HB   ASN  11          1HB       ASN  11 -12.980   3.289   0.217
   72   1HD2  ASN  11          1HD2      ASN  11 -10.948   3.730   2.800
   73   2HD2  ASN  11          2HD2      ASN  11 -11.151   2.235   3.577
   74    H    GLU  12           H        GLU  12 -10.444   0.842  -2.431
   75    HA   GLU  12           HA       GLU  12 -12.321  -1.253  -1.861
   76   1HB   GLU  12          2HB       GLU  12 -13.745   0.633  -2.964
   77   2HB   GLU  12          1HB       GLU  12 -12.949   0.137  -4.458
   78   1HG   GLU  12          2HG       GLU  12 -13.749  -2.149  -4.177
   79   2HG   GLU  12          1HG       GLU  12 -14.453  -1.740  -2.612
   80    H    ASN  13           H        ASN  13  -9.495  -0.916  -2.435
   81    HA   ASN  13           HA       ASN  13  -9.268  -2.926  -4.592
   82   1HB   ASN  13          2HB       ASN  13  -9.019  -0.475  -5.488
   83   2HB   ASN  13          1HB       ASN  13  -7.438  -0.542  -4.711
   84   1HD2  ASN  13          1HD2      ASN  13  -6.783  -0.341  -7.148
   85   2HD2  ASN  13          2HD2      ASN  13  -6.601  -1.794  -8.005
   86    H    CYS  14           H        CYS  14  -8.798  -2.695  -1.606
   87    HA   CYS  14           HA       CYS  14  -5.918  -3.508  -1.617
   88   1HB   CYS  14          2HB       CYS  14  -7.510  -2.156   0.583
   89   2HB   CYS  14          1HB       CYS  14  -5.860  -2.739   0.752
   90    H    CYS  15           H        CYS  15  -5.412  -5.139   0.105
   91    HA   CYS  15           HA       CYS  15  -7.256  -7.340   0.047
   92   1HB   CYS  15          2HB       CYS  15  -4.811  -6.765   1.734
   93   2HB   CYS  15          1HB       CYS  15  -5.682  -8.289   1.783
   94    H    SER  16           H        SER  16  -6.400  -4.922   2.479
   95    HA   SER  16           HA       SER  16  -8.485  -5.932   4.321
   96   1HB   SER  16          2HB       SER  16  -7.522  -4.461   5.939
   97   2HB   SER  16          1HB       SER  16  -6.175  -5.205   5.087
   98    HG   SER  16           HG       SER  16  -5.686  -3.106   4.976
   99    H    GLN  17           H        GLN  17  -8.398  -3.861   1.689
  100    HA   GLN  17           HA       GLN  17  -9.843  -2.208   0.920
  101   1HB   GLN  17          2HB       GLN  17 -11.519  -3.916   1.844
  102   2HB   GLN  17          1HB       GLN  17 -11.617  -2.884   3.269
  103   1HG   GLN  17          2HG       GLN  17 -13.257  -1.818   2.102
  104   2HG   GLN  17          1HG       GLN  17 -11.910  -1.037   1.275
  105   1HE2  GLN  17          1HE2      GLN  17 -14.746  -2.225   0.431
  106   2HE2  GLN  17          2HE2      GLN  17 -14.369  -3.044  -1.008
  107    H    SER  18           H        SER  18  -7.856  -1.765   3.279
  108    HA   SER  18           HA       SER  18  -9.115   0.700   4.394
  109   1HB   SER  18          2HB       SER  18  -8.183  -0.989   6.003
  110   2HB   SER  18          1HB       SER  18  -6.591  -0.722   5.298
  111    HG   SER  18           HG       SER  18  -7.491   0.586   7.249
  112    H    CYS  19           H        CYS  19  -8.588   1.306   1.952
  113    HA   CYS  19           HA       CYS  19  -5.834   1.969   1.332
  114   1HB   CYS  19          2HB       CYS  19  -7.562   1.569  -0.414
  115   2HB   CYS  19          1HB       CYS  19  -8.416   3.015   0.115
  116    H    THR  20           H        THR  20  -4.849   3.423   2.691
  117    HA   THR  20           HA       THR  20  -6.164   6.079   3.015
  118    HB   THR  20           HB       THR  20  -4.512   4.948   5.237
  119    HG1  THR  20           1HG      THR  20  -6.277   3.933   6.071
  120   1HG2  THR  20          1HG2      THR  20  -6.281   6.349   6.501
  121   2HG2  THR  20          2HG2      THR  20  -6.706   6.985   4.911
  122   3HG2  THR  20          3HG2      THR  20  -5.077   7.218   5.547
  123    H    GLY  21           H        GLY  21  -4.700   7.835   3.026
  124   1HA   GLY  21          2HA       GLY  21  -2.708   8.971   2.523
  125   2HA   GLY  21          1HA       GLY  21  -1.859   7.598   3.234
  126    H    GLY  22           H        GLY  22  -4.065   7.246   0.528
  127   1HA   GLY  22          2HA       GLY  22  -3.689   6.663  -1.713
  128   2HA   GLY  22          1HA       GLY  22  -2.088   7.385  -1.559
  129    H    ARG  23           H        ARG  23  -2.659   4.996   0.831
  130    HA   ARG  23           HA       ARG  23  -1.520   2.839  -0.845
  131   1HB   ARG  23          2HB       ARG  23   0.091   2.344   1.025
  132   2HB   ARG  23          1HB       ARG  23   0.428   3.842   0.167
  133   1HG   ARG  23          2HG       ARG  23  -0.380   5.178   1.927
  134   2HG   ARG  23          1HG       ARG  23  -1.299   3.847   2.633
  135   1HD   ARG  23          2HD       ARG  23   1.256   2.849   2.721
  136   2HD   ARG  23          1HD       ARG  23   1.538   4.568   2.992
  137    HE   ARG  23           HE       ARG  23   0.352   2.752   4.881
  138   1HH1  ARG  23          1HH2      ARG  23   0.129   6.025   3.670
  139   2HH1  ARG  23          2HH2      ARG  23  -0.532   6.633   5.148
  140   1HH2  ARG  23          1HH1      ARG  23  -0.504   3.580   6.773
  141   2HH2  ARG  23          2HH1      ARG  23  -0.887   5.266   6.888
  142    H    CYS  24           H        CYS  24  -1.896   0.739   0.055
  143    HA   CYS  24           HA       CYS  24  -4.380   0.531   1.535
  144   1HB   CYS  24          2HB       CYS  24  -2.366  -1.626   0.846
  145   2HB   CYS  24          1HB       CYS  24  -4.012  -1.898   1.407
  146    H    ASP  25           H        ASP  25  -4.673   0.018   3.665
  147    HA   ASP  25           HA       ASP  25  -2.281   0.203   5.416
  148   1HB   ASP  25          2HB       ASP  25  -5.225   0.643   5.793
  149   2HB   ASP  25          1HB       ASP  25  -4.229   0.261   7.194
  Start of MODEL   16
    1   1H    CYS   1          1HT       CYS   1  -4.759  -9.928  -3.597
    2   2H    CYS   1          2HT       CYS   1  -5.307  -9.491  -5.145
    3   3H    CYS   1          3HT       CYS   1  -6.399 -10.103  -3.995
    4    HA   CYS   1           HA       CYS   1  -6.334  -7.578  -4.417
    5   1HB   CYS   1          2HB       CYS   1  -6.784  -7.191  -1.978
    6   2HB   CYS   1          1HB       CYS   1  -7.661  -8.570  -2.637
    7    H    ILE   2           H        ILE   2  -5.257  -5.642  -3.685
    8    HA   ILE   2           HA       ILE   2  -2.378  -5.843  -3.660
    9    HB   ILE   2           HB       ILE   2  -4.117  -3.467  -2.926
   10   1HG1  ILE   2          2HG1      ILE   2  -2.922  -4.216  -5.614
   11   2HG1  ILE   2          1HG1      ILE   2  -4.611  -4.480  -5.177
   12   1HG2  ILE   2          1HG2      ILE   2  -1.386  -3.358  -4.177
   13   2HG2  ILE   2          2HG2      ILE   2  -1.540  -3.575  -2.434
   14   3HG2  ILE   2          3HG2      ILE   2  -2.214  -2.139  -3.207
   15   1HD1  ILE   2          1HD1      ILE   2  -4.583  -2.396  -6.329
   16   2HD1  ILE   2          2HD1      ILE   2  -3.153  -1.847  -5.456
   17   3HD1  ILE   2          3HD1      ILE   2  -4.700  -1.979  -4.620
   18    HA   PRO   3           HA       PRO   3  -2.059  -6.371   0.790
   19   1HB   PRO   3          2HB       PRO   3   0.663  -6.360   0.943
   20   2HB   PRO   3          1HB       PRO   3  -0.280  -7.738   0.361
   21   1HG   PRO   3          2HG       PRO   3   1.422  -5.869  -1.143
   22   2HG   PRO   3          1HG       PRO   3   0.892  -7.501  -1.570
   23   1HD   PRO   3          2HD       PRO   3  -0.166  -5.019  -2.537
   24   2HD   PRO   3          1HD       PRO   3  -0.749  -6.659  -2.893
   25    H    SER   4           H        SER   4  -1.153  -5.241   2.673
   26    HA   SER   4           HA       SER   4  -1.445  -2.416   2.561
   27   1HB   SER   4          2HB       SER   4  -0.115  -2.665   4.856
   28   2HB   SER   4          1HB       SER   4  -1.784  -3.208   4.705
   29    HG   SER   4           HG       SER   4   0.548  -4.649   4.991
   30    H    GLY   5           H        GLY   5   0.090  -0.753   2.463
   31   1HA   GLY   5          2HA       GLY   5   2.393   0.062   2.543
   32   2HA   GLY   5          1HA       GLY   5   2.935  -1.557   2.100
   33    H    GLN   6           H        GLN   6   0.631  -1.623   0.046
   34    HA   GLN   6           HA       GLN   6   2.199  -0.359  -2.115
   35   1HB   GLN   6          2HB       GLN   6  -0.041  -2.352  -1.975
   36   2HB   GLN   6          1HB       GLN   6   0.234  -1.475  -3.477
   37   1HG   GLN   6          2HG       GLN   6   2.703  -2.162  -3.214
   38   2HG   GLN   6          1HG       GLN   6   2.115  -3.327  -2.027
   39   1HE2  GLN   6          1HE2      GLN   6   0.810  -2.243  -5.222
   40   2HE2  GLN   6          2HE2      GLN   6   0.667  -3.813  -5.854
   41    HA   PRO   7           HA       PRO   7  -0.594   3.047  -2.595
   42   1HB   PRO   7          2HB       PRO   7  -0.465   3.488  -5.280
   43   2HB   PRO   7          1HB       PRO   7   0.860   3.850  -4.166
   44   1HG   PRO   7          2HG       PRO   7   0.623   1.695  -6.158
   45   2HG   PRO   7          1HG       PRO   7   2.071   2.415  -5.444
   46   1HD   PRO   7          2HD       PRO   7   0.866  -0.078  -4.752
   47   2HD   PRO   7          1HD       PRO   7   2.231   0.718  -3.937
   48    H    CYS   8           H        CYS   8  -2.721   3.575  -3.093
   49    HA   CYS   8           HA       CYS   8  -4.276   1.871  -4.923
   50   1HB   CYS   8          2HB       CYS   8  -6.053   1.589  -3.117
   51   2HB   CYS   8          1HB       CYS   8  -4.603   0.614  -2.916
   52    HA   PRO   9           HA       PRO   9  -6.160   5.906  -5.424
   53   1HB   PRO   9          2HB       PRO   9  -8.052   5.189  -7.258
   54   2HB   PRO   9          1HB       PRO   9  -6.335   5.366  -7.648
   55   1HG   PRO   9          2HG       PRO   9  -7.959   2.926  -7.440
   56   2HG   PRO   9          1HG       PRO   9  -6.422   3.190  -8.274
   57   1HD   PRO   9          2HD       PRO   9  -6.837   1.920  -5.733
   58   2HD   PRO   9          1HD       PRO   9  -5.293   2.237  -6.553
   59    H    TYR  10           H        TYR  10  -8.878   3.620  -5.811
   60    HA   TYR  10           HA       TYR  10 -10.572   5.231  -4.071
   61   1HB   TYR  10          2HB       TYR  10 -10.889   2.761  -5.726
   62   2HB   TYR  10          1HB       TYR  10 -12.047   3.030  -4.424
   63    HD1  TYR  10           1HD      TYR  10 -13.927   4.338  -4.860
   64    HD2  TYR  10           2HD      TYR  10 -10.380   4.903  -7.217
   65    HE1  TYR  10           1HE      TYR  10 -15.126   5.991  -6.267
   66    HE2  TYR  10           2HE      TYR  10 -11.580   6.557  -8.624
   67    HH   TYR  10           HH       TYR  10 -14.236   6.907  -9.185
   68    H    ASN  11           H        ASN  11 -11.983   3.560  -2.513
   69    HA   ASN  11           HA       ASN  11  -9.933   2.408  -0.668
   70   1HB   ASN  11          2HB       ASN  11 -11.411   4.355   0.111
   71   2HB   ASN  11          1HB       ASN  11 -12.753   3.213   0.066
   72   1HD2  ASN  11          1HD2      ASN  11 -13.135   2.399   2.125
   73   2HD2  ASN  11          2HD2      ASN  11 -11.933   2.009   3.258
   74    H    GLU  12           H        GLU  12 -10.822   0.899  -2.866
   75    HA   GLU  12           HA       GLU  12 -12.116  -1.351  -1.456
   76   1HB   GLU  12          2HB       GLU  12 -13.758  -1.659  -3.308
   77   2HB   GLU  12          1HB       GLU  12 -14.020  -0.159  -2.419
   78   1HG   GLU  12          2HG       GLU  12 -12.437   0.876  -4.241
   79   2HG   GLU  12          1HG       GLU  12 -12.890  -0.549  -5.176
   80    H    ASN  13           H        ASN  13  -9.448  -0.697  -2.678
   81    HA   ASN  13           HA       ASN  13  -9.331  -3.026  -4.550
   82   1HB   ASN  13          2HB       ASN  13  -8.185  -0.269  -4.845
   83   2HB   ASN  13          1HB       ASN  13  -7.309  -1.638  -5.530
   84   1HD2  ASN  13          1HD2      ASN  13 -10.319   0.227  -5.746
   85   2HD2  ASN  13          2HD2      ASN  13 -10.827  -0.437  -7.224
   86    H    CYS  14           H        CYS  14  -8.794  -2.717  -1.610
   87    HA   CYS  14           HA       CYS  14  -5.919  -3.539  -1.635
   88   1HB   CYS  14          2HB       CYS  14  -7.485  -2.132   0.550
   89   2HB   CYS  14          1HB       CYS  14  -5.829  -2.703   0.708
   90    H    CYS  15           H        CYS  15  -5.401  -5.159   0.082
   91    HA   CYS  15           HA       CYS  15  -7.260  -7.338   0.108
   92   1HB   CYS  15          2HB       CYS  15  -4.789  -6.733   1.743
   93   2HB   CYS  15          1HB       CYS  15  -5.684  -8.238   1.888
   94    H    SER  16           H        SER  16  -6.385  -4.863   2.474
   95    HA   SER  16           HA       SER  16  -8.450  -5.825   4.360
   96   1HB   SER  16          2HB       SER  16  -7.498  -4.283   5.915
   97   2HB   SER  16          1HB       SER  16  -6.143  -5.027   5.076
   98    HG   SER  16           HG       SER  16  -5.662  -3.152   4.251
   99    H    GLN  17           H        GLN  17  -8.343  -3.786   1.672
  100    HA   GLN  17           HA       GLN  17  -9.807  -2.173   0.850
  101   1HB   GLN  17          2HB       GLN  17 -11.465  -3.924   1.734
  102   2HB   GLN  17          1HB       GLN  17 -11.636  -2.883   3.146
  103   1HG   GLN  17          2HG       GLN  17 -11.933  -1.040   1.185
  104   2HG   GLN  17          1HG       GLN  17 -12.572  -2.461   0.359
  105   1HE2  GLN  17          1HE2      GLN  17 -14.657  -3.175   0.954
  106   2HE2  GLN  17          2HE2      GLN  17 -15.559  -2.508   2.228
  107    H    SER  18           H        SER  18  -7.865  -1.639   3.178
  108    HA   SER  18           HA       SER  18  -9.220   0.790   4.273
  109   1HB   SER  18          2HB       SER  18  -8.415  -0.739   6.007
  110   2HB   SER  18          1HB       SER  18  -6.807  -0.749   5.287
  111    HG   SER  18           HG       SER  18  -8.075   1.165   6.834
  112    H    CYS  19           H        CYS  19  -8.592   1.389   1.849
  113    HA   CYS  19           HA       CYS  19  -5.845   2.046   1.286
  114   1HB   CYS  19          2HB       CYS  19  -7.668   1.791  -0.435
  115   2HB   CYS  19          1HB       CYS  19  -8.342   3.320   0.125
  116    H    THR  20           H        THR  20  -4.794   3.417   2.672
  117    HA   THR  20           HA       THR  20  -6.037   6.084   3.158
  118    HB   THR  20           HB       THR  20  -4.408   4.760   5.298
  119    HG1  THR  20           1HG      THR  20  -6.443   4.053   6.163
  120   1HG2  THR  20          1HG2      THR  20  -6.613   6.836   5.246
  121   2HG2  THR  20          2HG2      THR  20  -4.899   7.126   5.549
  122   3HG2  THR  20          3HG2      THR  20  -5.860   6.221   6.718
  123    H    GLY  21           H        GLY  21  -4.517   7.798   3.303
  124   1HA   GLY  21          2HA       GLY  21  -2.509   8.912   2.822
  125   2HA   GLY  21          1HA       GLY  21  -1.686   7.483   3.447
  126    H    GLY  22           H        GLY  22  -3.923   7.274   0.757
  127   1HA   GLY  22          2HA       GLY  22  -3.570   6.853  -1.525
  128   2HA   GLY  22          1HA       GLY  22  -1.941   7.493  -1.331
  129    H    ARG  23           H        ARG  23  -2.513   5.027   0.944
  130    HA   ARG  23           HA       ARG  23  -1.564   2.895  -0.872
  131   1HB   ARG  23          2HB       ARG  23   0.126   2.257   0.881
  132   2HB   ARG  23          1HB       ARG  23   0.480   3.771   0.060
  133   1HG   ARG  23          2HG       ARG  23  -0.033   5.060   1.918
  134   2HG   ARG  23          1HG       ARG  23  -1.151   3.860   2.567
  135   1HD   ARG  23          2HD       ARG  23   0.537   2.600   3.527
  136   2HD   ARG  23          1HD       ARG  23   1.741   3.126   2.351
  137    HE   ARG  23           HE       ARG  23   1.135   5.437   3.749
  138   1HH1  ARG  23          1HH2      ARG  23   2.180   2.221   4.644
  139   2HH1  ARG  23          2HH2      ARG  23   3.019   2.777   6.051
  140   1HH2  ARG  23          1HH1      ARG  23   2.231   6.112   5.579
  141   2HH2  ARG  23          2HH1      ARG  23   3.050   4.956   6.577
  142    H    CYS  24           H        CYS  24  -1.980   0.779  -0.035
  143    HA   CYS  24           HA       CYS  24  -4.407   0.574   1.501
  144   1HB   CYS  24          2HB       CYS  24  -2.404  -1.602   0.839
  145   2HB   CYS  24          1HB       CYS  24  -4.066  -1.848   1.365
  146    H    ASP  25           H        ASP  25  -4.691   0.111   3.634
  147    HA   ASP  25           HA       ASP  25  -2.273   0.230   5.362
  148   1HB   ASP  25          2HB       ASP  25  -5.176   0.887   5.743
  149   2HB   ASP  25          1HB       ASP  25  -4.195   0.483   7.151
  Start of MODEL   17
    1   1H    CYS   1          1HT       CYS   1  -6.411  -9.882  -4.314
    2   2H    CYS   1          2HT       CYS   1  -4.804  -9.790  -3.769
    3   3H    CYS   1          3HT       CYS   1  -5.212  -9.232  -5.321
    4    HA   CYS   1           HA       CYS   1  -6.319  -7.366  -4.518
    5   1HB   CYS   1          2HB       CYS   1  -6.781  -7.112  -2.064
    6   2HB   CYS   1          1HB       CYS   1  -7.657  -8.450  -2.804
    7    H    ILE   2           H        ILE   2  -5.228  -5.479  -3.751
    8    HA   ILE   2           HA       ILE   2  -2.354  -5.686  -3.675
    9    HB   ILE   2           HB       ILE   2  -4.114  -3.334  -2.915
   10   1HG1  ILE   2          2HG1      ILE   2  -2.824  -3.942  -5.590
   11   2HG1  ILE   2          1HG1      ILE   2  -4.504  -4.332  -5.218
   12   1HG2  ILE   2          1HG2      ILE   2  -1.185  -3.669  -3.543
   13   2HG2  ILE   2          2HG2      ILE   2  -1.934  -2.817  -2.193
   14   3HG2  ILE   2          3HG2      ILE   2  -1.995  -2.125  -3.814
   15   1HD1  ILE   2          1HD1      ILE   2  -4.763  -2.227  -6.161
   16   2HD1  ILE   2          2HD1      ILE   2  -3.212  -1.650  -5.551
   17   3HD1  ILE   2          3HD1      ILE   2  -4.590  -1.797  -4.460
   18    HA   PRO   3           HA       PRO   3  -2.153  -6.333   0.776
   19   1HB   PRO   3          2HB       PRO   3   0.564  -6.439   0.975
   20   2HB   PRO   3          1HB       PRO   3  -0.422  -7.768   0.354
   21   1HG   PRO   3          2HG       PRO   3   1.383  -5.949  -1.087
   22   2HG   PRO   3          1HG       PRO   3   0.791  -7.548  -1.553
   23   1HD   PRO   3          2HD       PRO   3  -0.143  -5.005  -2.490
   24   2HD   PRO   3          1HD       PRO   3  -0.786  -6.612  -2.892
   25    H    SER   4           H        SER   4  -1.178  -5.269   2.691
   26    HA   SER   4           HA       SER   4  -1.403  -2.439   2.631
   27   1HB   SER   4          2HB       SER   4   0.057  -4.131   4.678
   28   2HB   SER   4          1HB       SER   4  -0.548  -2.495   4.922
   29    HG   SER   4           HG       SER   4  -1.837  -4.678   5.387
   30    H    GLY   5           H        GLY   5   0.165  -0.802   2.559
   31   1HA   GLY   5          2HA       GLY   5   2.468  -0.010   2.587
   32   2HA   GLY   5          1HA       GLY   5   2.993  -1.636   2.151
   33    H    GLN   6           H        GLN   6   0.683  -1.696   0.110
   34    HA   GLN   6           HA       GLN   6   2.246  -0.457  -2.070
   35   1HB   GLN   6          2HB       GLN   6  -0.002  -2.439  -1.897
   36   2HB   GLN   6          1HB       GLN   6   0.269  -1.578  -3.408
   37   1HG   GLN   6          2HG       GLN   6   2.811  -2.305  -2.826
   38   2HG   GLN   6          1HG       GLN   6   1.926  -3.647  -2.098
   39   1HE2  GLN   6          1HE2      GLN   6   3.130  -2.430  -5.063
   40   2HE2  GLN   6          2HE2      GLN   6   2.296  -3.481  -6.101
   41    HA   PRO   7           HA       PRO   7  -0.547   2.952  -2.566
   42   1HB   PRO   7          2HB       PRO   7  -0.451   3.359  -5.258
   43   2HB   PRO   7          1HB       PRO   7   0.887   3.733  -4.165
   44   1HG   PRO   7          2HG       PRO   7   0.623   1.555  -6.128
   45   2HG   PRO   7          1HG       PRO   7   2.081   2.280  -5.439
   46   1HD   PRO   7          2HD       PRO   7   0.880  -0.201  -4.703
   47   2HD   PRO   7          1HD       PRO   7   2.256   0.600  -3.916
   48    H    CYS   8           H        CYS   8  -2.679   3.468  -3.030
   49    HA   CYS   8           HA       CYS   8  -4.264   1.641  -4.748
   50   1HB   CYS   8          2HB       CYS   8  -6.064   1.638  -2.958
   51   2HB   CYS   8          1HB       CYS   8  -4.632   0.690  -2.572
   52    HA   PRO   9           HA       PRO   9  -6.119   5.533  -5.862
   53   1HB   PRO   9          2HB       PRO   9  -8.284   4.576  -7.225
   54   2HB   PRO   9          1HB       PRO   9  -6.631   4.517  -7.855
   55   1HG   PRO   9          2HG       PRO   9  -8.330   2.329  -6.868
   56   2HG   PRO   9          1HG       PRO   9  -6.923   2.270  -7.938
   57   1HD   PRO   9          2HD       PRO   9  -7.014   1.638  -5.143
   58   2HD   PRO   9          1HD       PRO   9  -5.590   1.657  -6.206
   59    H    TYR  10           H        TYR  10  -8.999   3.475  -5.378
   60    HA   TYR  10           HA       TYR  10 -10.013   5.511  -3.448
   61   1HB   TYR  10          2HB       TYR  10 -11.375   3.573  -5.315
   62   2HB   TYR  10          1HB       TYR  10 -12.245   4.298  -3.962
   63    HD1  TYR  10           1HD      TYR  10 -12.783   6.662  -3.924
   64    HD2  TYR  10           2HD      TYR  10 -10.495   4.975  -7.145
   65    HE1  TYR  10           1HE      TYR  10 -13.108   8.737  -5.243
   66    HE2  TYR  10           2HE      TYR  10 -10.820   7.051  -8.463
   67    HH   TYR  10           HH       TYR  10 -13.101   9.266  -7.868
   68    H    ASN  11           H        ASN  11 -11.807   4.245  -1.977
   69    HA   ASN  11           HA       ASN  11 -10.201   2.337  -0.411
   70   1HB   ASN  11          2HB       ASN  11 -11.837   4.316   0.378
   71   2HB   ASN  11          1HB       ASN  11 -13.001   2.992   0.357
   72   1HD2  ASN  11          1HD2      ASN  11 -12.501   3.978   2.852
   73   2HD2  ASN  11          2HD2      ASN  11 -11.486   2.945   3.737
   74    H    GLU  12           H        GLU  12 -10.441   0.827  -2.409
   75    HA   GLU  12           HA       GLU  12 -12.212  -1.315  -1.724
   76   1HB   GLU  12          2HB       GLU  12 -13.661   0.603  -2.921
   77   2HB   GLU  12          1HB       GLU  12 -13.046  -0.206  -4.363
   78   1HG   GLU  12          2HG       GLU  12 -14.128  -2.204  -3.874
   79   2HG   GLU  12          1HG       GLU  12 -14.173  -1.874  -2.143
   80    H    ASN  13           H        ASN  13  -9.437  -0.899  -2.428
   81    HA   ASN  13           HA       ASN  13  -9.245  -2.902  -4.604
   82   1HB   ASN  13          2HB       ASN  13  -8.943  -0.326  -5.319
   83   2HB   ASN  13          1HB       ASN  13  -7.302  -0.649  -4.759
   84   1HD2  ASN  13          1HD2      ASN  13  -9.457  -1.064  -7.404
   85   2HD2  ASN  13          2HD2      ASN  13  -8.504  -2.139  -8.306
   86    H    CYS  14           H        CYS  14  -8.760  -2.770  -1.633
   87    HA   CYS  14           HA       CYS  14  -5.891  -3.604  -1.677
   88   1HB   CYS  14          2HB       CYS  14  -7.416  -2.204   0.540
   89   2HB   CYS  14          1HB       CYS  14  -5.775  -2.815   0.681
   90    H    CYS  15           H        CYS  15  -5.395  -5.244   0.030
   91    HA   CYS  15           HA       CYS  15  -7.291  -7.397   0.032
   92   1HB   CYS  15          2HB       CYS  15  -4.813  -6.866   1.686
   93   2HB   CYS  15          1HB       CYS  15  -5.712  -8.373   1.741
   94    H    SER  16           H        SER  16  -6.327  -4.985   2.426
   95    HA   SER  16           HA       SER  16  -8.375  -5.926   4.335
   96   1HB   SER  16          2HB       SER  16  -7.384  -4.394   5.878
   97   2HB   SER  16          1HB       SER  16  -6.051  -5.148   5.013
   98    HG   SER  16           HG       SER  16  -6.012  -2.778   5.206
   99    H    GLN  17           H        GLN  17  -8.270  -3.844   1.666
  100    HA   GLN  17           HA       GLN  17  -9.743  -2.221   0.876
  101   1HB   GLN  17          2HB       GLN  17 -11.433  -3.934   1.674
  102   2HB   GLN  17          1HB       GLN  17 -11.528  -3.032   3.186
  103   1HG   GLN  17          2HG       GLN  17 -12.562  -1.209   2.198
  104   2HG   GLN  17          1HG       GLN  17 -11.853  -1.533   0.616
  105   1HE2  GLN  17          1HE2      GLN  17 -14.253  -2.905   2.927
  106   2HE2  GLN  17          2HE2      GLN  17 -15.242  -3.585   1.726
  107    H    SER  18           H        SER  18  -7.770  -1.714   3.171
  108    HA   SER  18           HA       SER  18  -9.111   0.679   4.354
  109   1HB   SER  18          2HB       SER  18  -8.005  -1.136   5.833
  110   2HB   SER  18          1HB       SER  18  -6.473  -0.483   5.258
  111    HG   SER  18           HG       SER  18  -7.868   0.410   7.238
  112    H    CYS  19           H        CYS  19  -8.588   1.296   1.895
  113    HA   CYS  19           HA       CYS  19  -5.882   2.049   1.252
  114   1HB   CYS  19          2HB       CYS  19  -7.687   1.736  -0.446
  115   2HB   CYS  19          1HB       CYS  19  -8.487   3.180   0.171
  116    H    THR  20           H        THR  20  -4.803   3.505   2.500
  117    HA   THR  20           HA       THR  20  -6.127   6.108   3.069
  118    HB   THR  20           HB       THR  20  -4.433   4.758   5.156
  119    HG1  THR  20           1HG      THR  20  -6.505   4.193   6.096
  120   1HG2  THR  20          1HG2      THR  20  -6.164   6.281   6.496
  121   2HG2  THR  20          2HG2      THR  20  -6.228   7.132   4.953
  122   3HG2  THR  20          3HG2      THR  20  -4.691   6.956   5.800
  123    H    GLY  21           H        GLY  21  -4.685   7.865   3.081
  124   1HA   GLY  21          2HA       GLY  21  -2.733   9.042   2.533
  125   2HA   GLY  21          1HA       GLY  21  -1.847   7.686   3.228
  126    H    GLY  22           H        GLY  22  -4.045   7.106   0.579
  127   1HA   GLY  22          2HA       GLY  22  -3.641   6.715  -1.710
  128   2HA   GLY  22          1HA       GLY  22  -2.012   7.344  -1.493
  129    H    ARG  23           H        ARG  23  -2.401   5.048   0.897
  130    HA   ARG  23           HA       ARG  23  -1.546   2.815  -0.864
  131   1HB   ARG  23          2HB       ARG  23   0.126   2.212   0.907
  132   2HB   ARG  23          1HB       ARG  23   0.492   3.725   0.084
  133   1HG   ARG  23          2HG       ARG  23  -1.234   3.973   2.480
  134   2HG   ARG  23          1HG       ARG  23   0.421   3.456   2.796
  135   1HD   ARG  23          2HD       ARG  23   0.346   5.636   0.861
  136   2HD   ARG  23          1HD       ARG  23  -0.443   6.083   2.375
  137    HE   ARG  23           HE       ARG  23   2.399   5.647   2.005
  138   1HH1  ARG  23          1HH2      ARG  23  -0.234   5.390   4.293
  139   2HH1  ARG  23          2HH2      ARG  23   0.811   5.526   5.664
  140   1HH2  ARG  23          1HH1      ARG  23   3.714   5.820   3.807
  141   2HH2  ARG  23          2HH1      ARG  23   3.022   5.767   5.395
  142    H    CYS  24           H        CYS  24  -1.933   0.721   0.084
  143    HA   CYS  24           HA       CYS  24  -4.407   0.578   1.566
  144   1HB   CYS  24          2HB       CYS  24  -2.403  -1.636   1.059
  145   2HB   CYS  24          1HB       CYS  24  -4.094  -1.838   1.507
  146    H    ASP  25           H        ASP  25  -4.725   0.252   3.715
  147    HA   ASP  25           HA       ASP  25  -2.340   0.428   5.477
  148   1HB   ASP  25          2HB       ASP  25  -5.261   1.044   5.797
  149   2HB   ASP  25          1HB       ASP  25  -4.289   0.709   7.227
  Start of MODEL   18
    1   1H    CYS   1          1HT       CYS   1  -5.784 -10.030  -4.209
    2   2H    CYS   1          2HT       CYS   1  -4.255  -9.735  -3.528
    3   3H    CYS   1          3HT       CYS   1  -4.566  -9.307  -5.143
    4    HA   CYS   1           HA       CYS   1  -5.938  -7.537  -4.560
    5   1HB   CYS   1          2HB       CYS   1  -6.619  -7.194  -2.157
    6   2HB   CYS   1          1HB       CYS   1  -7.313  -8.634  -2.897
    7    H    ILE   2           H        ILE   2  -5.163  -5.496  -3.752
    8    HA   ILE   2           HA       ILE   2  -2.297  -5.336  -3.507
    9    HB   ILE   2           HB       ILE   2  -4.375  -3.216  -2.888
   10   1HG1  ILE   2          2HG1      ILE   2  -2.895  -3.747  -5.483
   11   2HG1  ILE   2          1HG1      ILE   2  -4.558  -4.248  -5.180
   12   1HG2  ILE   2          1HG2      ILE   2  -2.540  -1.654  -3.405
   13   2HG2  ILE   2          2HG2      ILE   2  -1.451  -3.015  -3.672
   14   3HG2  ILE   2          3HG2      ILE   2  -2.101  -2.708  -2.061
   15   1HD1  ILE   2          1HD1      ILE   2  -3.452  -1.520  -5.628
   16   2HD1  ILE   2          2HD1      ILE   2  -4.771  -1.666  -4.466
   17   3HD1  ILE   2          3HD1      ILE   2  -4.998  -2.202  -6.131
   18    HA   PRO   3           HA       PRO   3  -2.485  -6.030   0.981
   19   1HB   PRO   3          2HB       PRO   3   0.189  -6.456   1.316
   20   2HB   PRO   3          1HB       PRO   3  -0.926  -7.687   0.708
   21   1HG   PRO   3          2HG       PRO   3   1.130  -6.143  -0.733
   22   2HG   PRO   3          1HG       PRO   3   0.416  -7.712  -1.127
   23   1HD   PRO   3          2HD       PRO   3  -0.220  -5.199  -2.306
   24   2HD   PRO   3          1HD       PRO   3  -1.054  -6.745  -2.566
   25    H    SER   4           H        SER   4  -1.340  -5.023   2.891
   26    HA   SER   4           HA       SER   4  -1.324  -2.194   2.737
   27   1HB   SER   4          2HB       SER   4  -0.522  -2.227   5.008
   28   2HB   SER   4          1HB       SER   4  -1.615  -3.596   4.824
   29    HG   SER   4           HG       SER   4   0.067  -4.629   5.595
   30    H    GLY   5           H        GLY   5   0.260  -0.744   2.218
   31   1HA   GLY   5          2HA       GLY   5   2.680  -0.140   2.324
   32   2HA   GLY   5          1HA       GLY   5   3.030  -1.799   1.842
   33    H    GLN   6           H        GLN   6   0.680  -1.699  -0.085
   34    HA   GLN   6           HA       GLN   6   2.185  -0.452  -2.307
   35   1HB   GLN   6          2HB       GLN   6  -0.053  -2.443  -2.087
   36   2HB   GLN   6          1HB       GLN   6   0.169  -1.562  -3.594
   37   1HG   GLN   6          2HG       GLN   6   2.720  -2.277  -3.149
   38   2HG   GLN   6          1HG       GLN   6   1.903  -3.613  -2.338
   39   1HE2  GLN   6          1HE2      GLN   6   3.425  -3.781  -4.876
   40   2HE2  GLN   6          2HE2      GLN   6   2.326  -4.307  -6.057
   41    HA   PRO   7           HA       PRO   7  -0.640   2.953  -2.653
   42   1HB   PRO   7          2HB       PRO   7  -0.625   3.408  -5.339
   43   2HB   PRO   7          1HB       PRO   7   0.745   3.768  -4.280
   44   1HG   PRO   7          2HG       PRO   7   0.430   1.626  -6.275
   45   2HG   PRO   7          1HG       PRO   7   1.906   2.341  -5.611
   46   1HD   PRO   7          2HD       PRO   7   0.723  -0.157  -4.891
   47   2HD   PRO   7          1HD       PRO   7   2.126   0.626  -4.134
   48    H    CYS   8           H        CYS   8  -2.788   3.476  -3.063
   49    HA   CYS   8           HA       CYS   8  -4.405   1.669  -4.765
   50   1HB   CYS   8          2HB       CYS   8  -6.160   1.628  -2.913
   51   2HB   CYS   8          1HB       CYS   8  -4.729   0.646  -2.629
   52    HA   PRO   9           HA       PRO   9  -6.183   5.683  -5.681
   53   1HB   PRO   9          2HB       PRO   9  -8.087   4.831  -7.440
   54   2HB   PRO   9          1HB       PRO   9  -6.366   4.920  -7.838
   55   1HG   PRO   9          2HG       PRO   9  -8.056   2.559  -7.381
   56   2HG   PRO   9          1HG       PRO   9  -6.517   2.694  -8.242
   57   1HD   PRO   9          2HD       PRO   9  -6.950   1.700  -5.586
   58   2HD   PRO   9          1HD       PRO   9  -5.402   1.901  -6.434
   59    H    TYR  10           H        TYR  10  -8.829   3.255  -5.636
   60    HA   TYR  10           HA       TYR  10 -10.484   5.146  -4.074
   61   1HB   TYR  10          2HB       TYR  10 -10.994   2.701  -5.713
   62   2HB   TYR  10          1HB       TYR  10 -12.134   3.075  -4.421
   63    HD1  TYR  10           1HD      TYR  10 -12.828   5.657  -4.292
   64    HD2  TYR  10           2HD      TYR  10 -11.363   3.660  -7.803
   65    HE1  TYR  10           1HE      TYR  10 -13.874   7.395  -5.719
   66    HE2  TYR  10           2HE      TYR  10 -12.409   5.399  -9.228
   67    HH   TYR  10           HH       TYR  10 -13.569   8.335  -7.993
   68    H    ASN  11           H        ASN  11 -11.994   3.781  -2.436
   69    HA   ASN  11           HA       ASN  11 -10.088   2.521  -0.535
   70   1HB   ASN  11          2HB       ASN  11 -11.672   4.477   0.073
   71   2HB   ASN  11          1HB       ASN  11 -12.949   3.261   0.063
   72   1HD2  ASN  11          1HD2      ASN  11 -10.923   4.799   2.167
   73   2HD2  ASN  11          2HD2      ASN  11 -10.743   3.585   3.340
   74    H    GLU  12           H        GLU  12 -10.849   0.942  -2.750
   75    HA   GLU  12           HA       GLU  12 -12.096  -1.320  -1.346
   76   1HB   GLU  12          2HB       GLU  12 -13.994   0.032  -2.360
   77   2HB   GLU  12          1HB       GLU  12 -13.315  -0.350  -3.943
   78   1HG   GLU  12          2HG       GLU  12 -13.785  -2.631  -3.743
   79   2HG   GLU  12          1HG       GLU  12 -13.850  -2.563  -1.981
   80    H    ASN  13           H        ASN  13  -9.491  -0.637  -2.594
   81    HA   ASN  13           HA       ASN  13  -9.389  -2.896  -4.550
   82   1HB   ASN  13          2HB       ASN  13  -7.967  -0.223  -4.701
   83   2HB   ASN  13          1HB       ASN  13  -7.554  -1.609  -5.712
   84   1HD2  ASN  13          1HD2      ASN  13  -8.409  -1.146  -7.755
   85   2HD2  ASN  13          2HD2      ASN  13  -9.998  -0.622  -8.039
   86    H    CYS  14           H        CYS  14  -8.829  -2.722  -1.615
   87    HA   CYS  14           HA       CYS  14  -5.952  -3.534  -1.699
   88   1HB   CYS  14          2HB       CYS  14  -7.485  -2.156   0.525
   89   2HB   CYS  14          1HB       CYS  14  -5.853  -2.785   0.688
   90    H    CYS  15           H        CYS  15  -5.426  -5.147   0.059
   91    HA   CYS  15           HA       CYS  15  -7.230  -7.370   0.011
   92   1HB   CYS  15          2HB       CYS  15  -4.864  -6.730   1.787
   93   2HB   CYS  15          1HB       CYS  15  -5.690  -8.281   1.775
   94    H    SER  16           H        SER  16  -6.457  -4.927   2.449
   95    HA   SER  16           HA       SER  16  -8.599  -5.925   4.229
   96   1HB   SER  16          2HB       SER  16  -7.683  -4.454   5.870
   97   2HB   SER  16          1HB       SER  16  -6.308  -5.188   5.056
   98    HG   SER  16           HG       SER  16  -5.752  -3.177   4.735
   99    H    GLN  17           H        GLN  17  -8.410  -3.856   1.593
  100    HA   GLN  17           HA       GLN  17  -9.823  -2.199   0.771
  101   1HB   GLN  17          2HB       GLN  17 -11.534  -3.915   1.625
  102   2HB   GLN  17          1HB       GLN  17 -11.694  -2.876   3.041
  103   1HG   GLN  17          2HG       GLN  17 -11.922  -1.018   1.082
  104   2HG   GLN  17          1HG       GLN  17 -12.592  -2.420   0.247
  105   1HE2  GLN  17          1HE2      GLN  17 -12.806  -1.177   3.640
  106   2HE2  GLN  17          2HE2      GLN  17 -14.498  -1.286   3.722
  107    H    SER  18           H        SER  18  -7.907  -1.742   3.154
  108    HA   SER  18           HA       SER  18  -9.218   0.696   4.272
  109   1HB   SER  18          2HB       SER  18  -8.300  -1.013   5.878
  110   2HB   SER  18          1HB       SER  18  -6.696  -0.694   5.224
  111    HG   SER  18           HG       SER  18  -7.641   0.549   7.173
  112    H    CYS  19           H        CYS  19  -8.687   1.474   1.929
  113    HA   CYS  19           HA       CYS  19  -5.922   2.067   1.294
  114   1HB   CYS  19          2HB       CYS  19  -7.750   1.868  -0.412
  115   2HB   CYS  19          1HB       CYS  19  -8.444   3.364   0.208
  116    H    THR  20           H        THR  20  -4.791   3.454   2.578
  117    HA   THR  20           HA       THR  20  -5.973   6.123   3.130
  118    HB   THR  20           HB       THR  20  -4.488   4.644   5.286
  119    HG1  THR  20           1HG      THR  20  -7.295   4.776   4.943
  120   1HG2  THR  20          1HG2      THR  20  -6.603   6.750   5.617
  121   2HG2  THR  20          2HG2      THR  20  -4.956   7.212   5.191
  122   3HG2  THR  20          3HG2      THR  20  -5.267   6.343   6.694
  123    H    GLY  21           H        GLY  21  -4.391   7.777   3.325
  124   1HA   GLY  21          2HA       GLY  21  -2.326   8.813   2.919
  125   2HA   GLY  21          1HA       GLY  21  -1.577   7.336   3.527
  126    H    GLY  22           H        GLY  22  -3.765   7.265   0.792
  127   1HA   GLY  22          2HA       GLY  22  -3.386   6.879  -1.491
  128   2HA   GLY  22          1HA       GLY  22  -1.741   7.463  -1.257
  129    H    ARG  23           H        ARG  23  -2.417   4.969   0.955
  130    HA   ARG  23           HA       ARG  23  -1.538   2.835  -0.888
  131   1HB   ARG  23          2HB       ARG  23   0.157   2.135   0.836
  132   2HB   ARG  23          1HB       ARG  23   0.543   3.648   0.024
  133   1HG   ARG  23          2HG       ARG  23  -0.192   4.946   1.900
  134   2HG   ARG  23          1HG       ARG  23  -0.927   3.538   2.666
  135   1HD   ARG  23          2HD       ARG  23   1.028   2.929   3.617
  136   2HD   ARG  23          1HD       ARG  23   1.901   3.093   2.093
  137    HE   ARG  23           HE       ARG  23   2.594   5.233   2.783
  138   1HH1  ARG  23          1HH2      ARG  23  -0.133   4.180   4.704
  139   2HH1  ARG  23          2HH2      ARG  23  -0.028   5.534   5.775
  140   1HH2  ARG  23          1HH1      ARG  23   2.691   6.968   4.191
  141   2HH2  ARG  23          2HH1      ARG  23   1.552   7.096   5.490
  142    H    CYS  24           H        CYS  24  -1.946   0.706   0.000
  143    HA   CYS  24           HA       CYS  24  -4.395   0.548   1.503
  144   1HB   CYS  24          2HB       CYS  24  -2.378  -1.643   0.947
  145   2HB   CYS  24          1HB       CYS  24  -4.047  -1.877   1.454
  146    H    ASP  25           H        ASP  25  -4.718   0.164   3.647
  147    HA   ASP  25           HA       ASP  25  -2.334   0.342   5.415
  148   1HB   ASP  25          2HB       ASP  25  -5.253   0.971   5.729
  149   2HB   ASP  25          1HB       ASP  25  -4.288   0.625   7.162
  Start of MODEL   19
    1   1H    CYS   1          1HT       CYS   1  -5.587  -9.185  -5.400
    2   2H    CYS   1          2HT       CYS   1  -6.704  -9.809  -4.282
    3   3H    CYS   1          3HT       CYS   1  -5.052  -9.748  -3.893
    4    HA   CYS   1           HA       CYS   1  -6.507  -7.272  -4.540
    5   1HB   CYS   1          2HB       CYS   1  -6.921  -7.018  -2.080
    6   2HB   CYS   1          1HB       CYS   1  -7.865  -8.316  -2.811
    7    H    ILE   2           H        ILE   2  -5.296  -5.452  -3.804
    8    HA   ILE   2           HA       ILE   2  -2.439  -5.819  -3.775
    9    HB   ILE   2           HB       ILE   2  -4.050  -3.371  -2.991
   10   1HG1  ILE   2          2HG1      ILE   2  -2.816  -3.970  -5.686
   11   2HG1  ILE   2          1HG1      ILE   2  -4.478  -4.418  -5.304
   12   1HG2  ILE   2          1HG2      ILE   2  -2.063  -2.129  -3.332
   13   2HG2  ILE   2          2HG2      ILE   2  -1.267  -3.469  -4.159
   14   3HG2  ILE   2          3HG2      ILE   2  -1.541  -3.544  -2.418
   15   1HD1  ILE   2          1HD1      ILE   2  -3.270  -1.686  -5.578
   16   2HD1  ILE   2          2HD1      ILE   2  -4.652  -1.909  -4.506
   17   3HD1  ILE   2          3HD1      ILE   2  -4.793  -2.303  -6.219
   18    HA   PRO   3           HA       PRO   3  -2.092  -6.413   0.663
   19   1HB   PRO   3          2HB       PRO   3   0.630  -6.451   0.799
   20   2HB   PRO   3          1HB       PRO   3  -0.336  -7.798   0.187
   21   1HG   PRO   3          2HG       PRO   3   1.394  -5.925  -1.274
   22   2HG   PRO   3          1HG       PRO   3   0.824  -7.529  -1.747
   23   1HD   PRO   3          2HD       PRO   3  -0.185  -4.987  -2.621
   24   2HD   PRO   3          1HD       PRO   3  -0.792  -6.603  -3.045
   25    H    SER   4           H        SER   4  -1.131  -5.341   2.564
   26    HA   SER   4           HA       SER   4  -1.394  -2.514   2.535
   27   1HB   SER   4          2HB       SER   4  -0.256  -2.670   4.810
   28   2HB   SER   4          1HB       SER   4  -1.702  -3.656   4.614
   29    HG   SER   4           HG       SER   4   0.081  -4.805   5.532
   30    H    GLY   5           H        GLY   5   0.196  -0.856   2.611
   31   1HA   GLY   5          2HA       GLY   5   2.473  -0.038   2.579
   32   2HA   GLY   5          1HA       GLY   5   3.014  -1.653   2.118
   33    H    GLN   6           H        GLN   6   0.674  -1.688   0.091
   34    HA   GLN   6           HA       GLN   6   2.227  -0.429  -2.085
   35   1HB   GLN   6          2HB       GLN   6  -0.032  -2.393  -1.910
   36   2HB   GLN   6          1HB       GLN   6   0.223  -1.520  -3.417
   37   1HG   GLN   6          2HG       GLN   6   2.419  -3.027  -1.985
   38   2HG   GLN   6          1HG       GLN   6   1.433  -3.735  -3.265
   39   1HE2  GLN   6          1HE2      GLN   6   1.409  -2.386  -5.391
   40   2HE2  GLN   6          2HE2      GLN   6   2.863  -1.634  -5.836
   41    HA   PRO   7           HA       PRO   7  -0.561   2.999  -2.528
   42   1HB   PRO   7          2HB       PRO   7  -0.477   3.431  -5.216
   43   2HB   PRO   7          1HB       PRO   7   0.869   3.791  -4.127
   44   1HG   PRO   7          2HG       PRO   7   0.590   1.637  -6.112
   45   2HG   PRO   7          1HG       PRO   7   2.053   2.345  -5.415
   46   1HD   PRO   7          2HD       PRO   7   0.832  -0.139  -4.708
   47   2HD   PRO   7          1HD       PRO   7   2.223   0.639  -3.921
   48    H    CYS   8           H        CYS   8  -2.697   3.525  -2.987
   49    HA   CYS   8           HA       CYS   8  -4.281   1.735  -4.732
   50   1HB   CYS   8          2HB       CYS   8  -6.056   1.628  -2.918
   51   2HB   CYS   8          1HB       CYS   8  -4.608   0.679  -2.603
   52    HA   PRO   9           HA       PRO   9  -6.104   5.742  -5.591
   53   1HB   PRO   9          2HB       PRO   9  -8.007   4.895  -7.352
   54   2HB   PRO   9          1HB       PRO   9  -6.287   4.996  -7.756
   55   1HG   PRO   9          2HG       PRO   9  -7.964   2.622  -7.318
   56   2HG   PRO   9          1HG       PRO   9  -6.426   2.773  -8.179
   57   1HD   PRO   9          2HD       PRO   9  -6.854   1.756  -5.528
   58   2HD   PRO   9          1HD       PRO   9  -5.309   1.963  -6.380
   59    H    TYR  10           H        TYR  10  -8.674   3.234  -5.489
   60    HA   TYR  10           HA       TYR  10 -10.332   5.091  -3.861
   61   1HB   TYR  10          2HB       TYR  10 -10.897   2.782  -5.678
   62   2HB   TYR  10          1HB       TYR  10 -12.033   3.103  -4.368
   63    HD1  TYR  10           1HD      TYR  10 -10.015   5.207  -6.742
   64    HD2  TYR  10           2HD      TYR  10 -13.863   4.372  -5.026
   65    HE1  TYR  10           1HE      TYR  10 -11.002   7.067  -8.052
   66    HE2  TYR  10           2HE      TYR  10 -14.850   6.232  -6.336
   67    HH   TYR  10           HH       TYR  10 -14.254   7.444  -8.540
   68    H    ASN  11           H        ASN  11 -11.916   3.496  -2.412
   69    HA   ASN  11           HA       ASN  11 -10.007   2.048  -0.630
   70   1HB   ASN  11          2HB       ASN  11 -11.359   4.036   0.245
   71   2HB   ASN  11          1HB       ASN  11 -12.782   3.005   0.096
   72   1HD2  ASN  11          1HD2      ASN  11 -13.277   2.082   2.082
   73   2HD2  ASN  11          2HD2      ASN  11 -12.139   1.533   3.215
   74    H    GLU  12           H        GLU  12 -10.779   0.596  -2.824
   75    HA   GLU  12           HA       GLU  12 -12.358  -1.558  -1.572
   76   1HB   GLU  12          2HB       GLU  12 -13.822   0.155  -2.997
   77   2HB   GLU  12          1HB       GLU  12 -13.206  -0.812  -4.337
   78   1HG   GLU  12          2HG       GLU  12 -14.243  -2.762  -3.585
   79   2HG   GLU  12          1HG       GLU  12 -14.331  -2.191  -1.919
   80    H    ASN  13           H        ASN  13  -9.567  -0.974  -2.740
   81    HA   ASN  13           HA       ASN  13  -9.503  -3.308  -4.611
   82   1HB   ASN  13          2HB       ASN  13  -8.168  -0.647  -4.717
   83   2HB   ASN  13          1HB       ASN  13  -7.230  -2.039  -5.262
   84   1HD2  ASN  13          1HD2      ASN  13  -8.368   0.148  -6.953
   85   2HD2  ASN  13          2HD2      ASN  13  -9.403  -0.616  -8.060
   86    H    CYS  14           H        CYS  14  -8.150  -1.819  -1.751
   87    HA   CYS  14           HA       CYS  14  -5.764  -3.419  -1.582
   88   1HB   CYS  14          2HB       CYS  14  -7.366  -2.030   0.587
   89   2HB   CYS  14          1HB       CYS  14  -5.735  -2.663   0.780
   90    H    CYS  15           H        CYS  15  -5.416  -5.147   0.024
   91    HA   CYS  15           HA       CYS  15  -7.398  -7.213  -0.095
   92   1HB   CYS  15          2HB       CYS  15  -4.934  -6.823   1.617
   93   2HB   CYS  15          1HB       CYS  15  -5.918  -8.278   1.681
   94    H    SER  16           H        SER  16  -6.452  -4.889   2.386
   95    HA   SER  16           HA       SER  16  -8.594  -5.825   4.198
   96   1HB   SER  16          2HB       SER  16  -7.596  -4.400   5.835
   97   2HB   SER  16          1HB       SER  16  -6.267  -5.184   4.991
   98    HG   SER  16           HG       SER  16  -6.214  -3.271   3.638
   99    H    GLN  17           H        GLN  17  -8.348  -3.702   1.599
  100    HA   GLN  17           HA       GLN  17  -9.715  -1.999   0.811
  101   1HB   GLN  17          2HB       GLN  17 -11.458  -3.700   1.663
  102   2HB   GLN  17          1HB       GLN  17 -11.614  -2.640   3.064
  103   1HG   GLN  17          2HG       GLN  17 -12.510  -0.895   1.816
  104   2HG   GLN  17          1HG       GLN  17 -11.754  -1.445   0.321
  105   1HE2  GLN  17          1HE2      GLN  17 -14.712  -1.358   1.961
  106   2HE2  GLN  17          2HE2      GLN  17 -15.507  -2.594   1.112
  107    H    SER  18           H        SER  18  -7.808  -1.647   3.236
  108    HA   SER  18           HA       SER  18  -9.060   0.783   4.420
  109   1HB   SER  18          2HB       SER  18  -7.953  -1.086   5.842
  110   2HB   SER  18          1HB       SER  18  -6.425  -0.432   5.258
  111    HG   SER  18           HG       SER  18  -7.743   0.425   7.286
  112    H    CYS  19           H        CYS  19  -8.583   1.465   1.980
  113    HA   CYS  19           HA       CYS  19  -5.852   2.162   1.328
  114   1HB   CYS  19          2HB       CYS  19  -7.688   1.846  -0.358
  115   2HB   CYS  19          1HB       CYS  19  -8.417   3.345   0.217
  116    H    THR  20           H        THR  20  -4.811   3.564   2.688
  117    HA   THR  20           HA       THR  20  -6.068   6.228   3.121
  118    HB   THR  20           HB       THR  20  -4.521   4.905   5.328
  119    HG1  THR  20           1HG      THR  20  -6.100   3.562   5.547
  120   1HG2  THR  20          1HG2      THR  20  -4.837   7.124   5.889
  121   2HG2  THR  20          2HG2      THR  20  -6.324   6.436   6.540
  122   3HG2  THR  20          3HG2      THR  20  -6.341   7.246   4.974
  123    H    GLY  21           H        GLY  21  -4.552   7.936   3.213
  124   1HA   GLY  21          2HA       GLY  21  -2.517   9.025   2.787
  125   2HA   GLY  21          1HA       GLY  21  -1.723   7.603   3.467
  126    H    GLY  22           H        GLY  22  -3.887   7.464   0.697
  127   1HA   GLY  22          2HA       GLY  22  -3.493   6.900  -1.545
  128   2HA   GLY  22          1HA       GLY  22  -1.886   7.599  -1.354
  129    H    ARG  23           H        ARG  23  -2.595   5.126   0.933
  130    HA   ARG  23           HA       ARG  23  -1.448   3.001  -0.760
  131   1HB   ARG  23          2HB       ARG  23   0.178   2.464   1.069
  132   2HB   ARG  23          1HB       ARG  23   0.509   3.993   0.265
  133   1HG   ARG  23          2HG       ARG  23  -0.894   5.080   2.129
  134   2HG   ARG  23          1HG       ARG  23  -0.740   3.540   2.977
  135   1HD   ARG  23          2HD       ARG  23   1.613   5.149   1.947
  136   2HD   ARG  23          1HD       ARG  23   1.025   5.211   3.609
  137    HE   ARG  23           HE       ARG  23   1.465   2.489   2.989
  138   1HH1  ARG  23          1HH2      ARG  23   3.312   5.442   3.314
  139   2HH1  ARG  23          2HH2      ARG  23   4.746   4.608   3.803
  140   1HH2  ARG  23          1HH1      ARG  23   3.342   1.453   3.624
  141   2HH2  ARG  23          2HH1      ARG  23   4.766   2.375   3.976
  142    H    CYS  24           H        CYS  24  -1.788   0.882   0.179
  143    HA   CYS  24           HA       CYS  24  -4.302   0.663   1.597
  144   1HB   CYS  24          2HB       CYS  24  -2.219  -1.466   1.051
  145   2HB   CYS  24          1HB       CYS  24  -3.877  -1.757   1.561
  146    H    ASP  25           H        ASP  25  -4.650   0.290   3.735
  147    HA   ASP  25           HA       ASP  25  -2.286   0.455   5.536
  148   1HB   ASP  25          2HB       ASP  25  -5.191   1.162   5.809
  149   2HB   ASP  25          1HB       ASP  25  -4.251   0.803   7.254
  Start of MODEL   20
    1   1H    CYS   1          1HT       CYS   1  -6.349  -9.941  -4.185
    2   2H    CYS   1          2HT       CYS   1  -4.750  -9.844  -3.617
    3   3H    CYS   1          3HT       CYS   1  -5.128  -9.328  -5.190
    4    HA   CYS   1           HA       CYS   1  -6.258  -7.441  -4.448
    5   1HB   CYS   1          2HB       CYS   1  -6.700  -7.106  -2.002
    6   2HB   CYS   1          1HB       CYS   1  -7.573  -8.478  -2.683
    7    H    ILE   2           H        ILE   2  -5.164  -5.525  -3.751
    8    HA   ILE   2           HA       ILE   2  -2.290  -5.723  -3.696
    9    HB   ILE   2           HB       ILE   2  -4.049  -3.363  -2.956
   10   1HG1  ILE   2          2HG1      ILE   2  -2.748  -3.899  -5.630
   11   2HG1  ILE   2          1HG1      ILE   2  -4.376  -4.471  -5.264
   12   1HG2  ILE   2          1HG2      ILE   2  -1.131  -3.652  -3.703
   13   2HG2  ILE   2          2HG2      ILE   2  -1.809  -2.931  -2.243
   14   3HG2  ILE   2          3HG2      ILE   2  -1.983  -2.110  -3.794
   15   1HD1  ILE   2          1HD1      ILE   2  -3.377  -1.658  -5.550
   16   2HD1  ILE   2          2HD1      ILE   2  -4.748  -1.976  -4.486
   17   3HD1  ILE   2          3HD1      ILE   2  -4.844  -2.392  -6.198
   18    HA   PRO   3           HA       PRO   3  -2.012  -6.304   0.748
   19   1HB   PRO   3          2HB       PRO   3   0.707  -6.276   0.934
   20   2HB   PRO   3          1HB       PRO   3  -0.217  -7.652   0.322
   21   1HG   PRO   3          2HG       PRO   3   1.488  -5.748  -1.134
   22   2HG   PRO   3          1HG       PRO   3   0.976  -7.377  -1.593
   23   1HD   PRO   3          2HD       PRO   3  -0.089  -4.890  -2.535
   24   2HD   PRO   3          1HD       PRO   3  -0.656  -6.528  -2.924
   25    H    SER   4           H        SER   4  -1.153  -5.187   2.653
   26    HA   SER   4           HA       SER   4  -1.464  -2.365   2.571
   27   1HB   SER   4          2HB       SER   4  -1.606  -4.013   4.587
   28   2HB   SER   4          1HB       SER   4   0.130  -3.747   4.718
   29    HG   SER   4           HG       SER   4  -0.319  -1.504   4.848
   30    H    GLY   5           H        GLY   5   0.035  -0.692   2.436
   31   1HA   GLY   5          2HA       GLY   5   2.334   0.155   2.592
   32   2HA   GLY   5          1HA       GLY   5   2.903  -1.450   2.135
   33    H    GLN   6           H        GLN   6   0.672  -1.567   0.044
   34    HA   GLN   6           HA       GLN   6   2.222  -0.214  -2.076
   35   1HB   GLN   6          2HB       GLN   6   0.062  -2.299  -1.993
   36   2HB   GLN   6          1HB       GLN   6   0.331  -1.399  -3.484
   37   1HG   GLN   6          2HG       GLN   6   2.505  -2.863  -1.970
   38   2HG   GLN   6          1HG       GLN   6   1.649  -3.525  -3.361
   39   1HE2  GLN   6          1HE2      GLN   6   1.707  -1.990  -5.382
   40   2HE2  GLN   6          2HE2      GLN   6   3.175  -1.190  -5.675
   41    HA   PRO   7           HA       PRO   7  -0.732   3.069  -2.549
   42   1HB   PRO   7          2HB       PRO   7  -0.461   3.627  -5.202
   43   2HB   PRO   7          1HB       PRO   7   0.768   4.017  -3.992
   44   1HG   PRO   7          2HG       PRO   7   0.787   1.944  -6.080
   45   2HG   PRO   7          1HG       PRO   7   2.142   2.704  -5.235
   46   1HD   PRO   7          2HD       PRO   7   1.020   0.121  -4.733
   47   2HD   PRO   7          1HD       PRO   7   2.298   0.940  -3.808
   48    H    CYS   8           H        CYS   8  -2.856   3.480  -3.169
   49    HA   CYS   8           HA       CYS   8  -4.174   1.624  -5.074
   50   1HB   CYS   8          2HB       CYS   8  -6.065   1.354  -3.454
   51   2HB   CYS   8          1HB       CYS   8  -4.568   0.611  -2.899
   52    HA   PRO   9           HA       PRO   9  -6.234   5.430  -6.164
   53   1HB   PRO   9          2HB       PRO   9  -8.186   4.379  -7.759
   54   2HB   PRO   9          1HB       PRO   9  -6.488   4.488  -8.242
   55   1HG   PRO   9          2HG       PRO   9  -8.074   2.121  -7.527
   56   2HG   PRO   9          1HG       PRO   9  -6.572   2.233  -8.453
   57   1HD   PRO   9          2HD       PRO   9  -6.882   1.454  -5.705
   58   2HD   PRO   9          1HD       PRO   9  -5.373   1.615  -6.630
   59    H    TYR  10           H        TYR  10  -8.957   3.123  -6.041
   60    HA   TYR  10           HA       TYR  10 -10.552   5.011  -4.485
   61   1HB   TYR  10          2HB       TYR  10 -10.997   2.331  -5.748
   62   2HB   TYR  10          1HB       TYR  10 -12.103   2.849  -4.477
   63    HD1  TYR  10           1HD      TYR  10 -10.602   3.897  -7.729
   64    HD2  TYR  10           2HD      TYR  10 -13.799   4.443  -4.912
   65    HE1  TYR  10           1HE      TYR  10 -11.780   5.359  -9.349
   66    HE2  TYR  10           2HE      TYR  10 -14.978   5.904  -6.531
   67    HH   TYR  10           HH       TYR  10 -14.106   7.434  -8.597
   68    H    ASN  11           H        ASN  11 -11.914   3.577  -2.640
   69    HA   ASN  11           HA       ASN  11  -9.773   2.671  -0.752
   70   1HB   ASN  11          2HB       ASN  11 -11.142   4.681  -0.093
   71   2HB   ASN  11          1HB       ASN  11 -12.572   3.647  -0.100
   72   1HD2  ASN  11          1HD2      ASN  11 -12.748   4.092   2.278
   73   2HD2  ASN  11          2HD2      ASN  11 -11.752   3.245   3.361
   74    H    GLU  12           H        GLU  12 -10.958   0.969  -2.786
   75    HA   GLU  12           HA       GLU  12 -11.987  -1.156  -1.010
   76   1HB   GLU  12          2HB       GLU  12 -13.888  -1.614  -2.566
   77   2HB   GLU  12          1HB       GLU  12 -14.031  -0.052  -1.758
   78   1HG   GLU  12          2HG       GLU  12 -12.852   0.933  -3.821
   79   2HG   GLU  12          1HG       GLU  12 -13.193  -0.608  -4.607
   80    H    ASN  13           H        ASN  13  -9.536  -0.650  -2.622
   81    HA   ASN  13           HA       ASN  13  -9.701  -3.074  -4.367
   82   1HB   ASN  13          2HB       ASN  13  -8.239  -0.469  -4.879
   83   2HB   ASN  13          1HB       ASN  13  -7.948  -1.945  -5.801
   84   1HD2  ASN  13          1HD2      ASN  13 -10.518   0.411  -4.963
   85   2HD2  ASN  13          2HD2      ASN  13 -11.474   0.092  -6.330
   86    H    CYS  14           H        CYS  14  -8.888  -2.815  -1.559
   87    HA   CYS  14           HA       CYS  14  -6.022  -3.634  -1.822
   88   1HB   CYS  14          2HB       CYS  14  -7.402  -2.114   0.407
   89   2HB   CYS  14          1HB       CYS  14  -5.784  -2.782   0.545
   90    H    CYS  15           H        CYS  15  -5.373  -5.177  -0.024
   91    HA   CYS  15           HA       CYS  15  -7.204  -7.374   0.154
   92   1HB   CYS  15          2HB       CYS  15  -4.700  -6.697   1.714
   93   2HB   CYS  15          1HB       CYS  15  -5.553  -8.225   1.857
   94    H    SER  16           H        SER  16  -6.246  -4.816   2.383
   95    HA   SER  16           HA       SER  16  -8.176  -5.697   4.427
   96   1HB   SER  16          2HB       SER  16  -7.256  -3.962   5.783
   97   2HB   SER  16          1HB       SER  16  -5.894  -4.673   4.925
   98    HG   SER  16           HG       SER  16  -6.473  -2.184   4.964
   99    H    GLN  17           H        GLN  17  -8.184  -3.725   1.622
  100    HA   GLN  17           HA       GLN  17  -9.779  -2.288   0.722
  101   1HB   GLN  17          2HB       GLN  17 -11.299  -4.166   1.571
  102   2HB   GLN  17          1HB       GLN  17 -11.592  -3.152   2.984
  103   1HG   GLN  17          2HG       GLN  17 -12.019  -1.333   1.027
  104   2HG   GLN  17          1HG       GLN  17 -12.504  -2.801   0.178
  105   1HE2  GLN  17          1HE2      GLN  17 -13.200  -0.815   3.062
  106   2HE2  GLN  17          2HE2      GLN  17 -14.746  -1.461   3.335
  107    H    SER  18           H        SER  18  -7.908  -1.444   2.896
  108    HA   SER  18           HA       SER  18  -9.476   0.936   3.825
  109   1HB   SER  18          2HB       SER  18  -8.696  -0.927   5.564
  110   2HB   SER  18          1HB       SER  18  -7.166  -0.063   5.443
  111    HG   SER  18           HG       SER  18  -8.410   0.870   7.056
  112    H    CYS  19           H        CYS  19  -8.654   2.189   2.065
  113    HA   CYS  19           HA       CYS  19  -5.769   2.366   1.613
  114   1HB   CYS  19          2HB       CYS  19  -8.190   3.762   0.489
  115   2HB   CYS  19          1HB       CYS  19  -6.569   4.363   0.144
  116    H    THR  20           H        THR  20  -4.500   3.483   2.998
  117    HA   THR  20           HA       THR  20  -5.548   6.056   4.104
  118    HB   THR  20           HB       THR  20  -3.496   4.518   5.622
  119    HG1  THR  20           1HG      THR  20  -5.281   3.425   6.667
  120   1HG2  THR  20          1HG2      THR  20  -5.868   6.259   6.333
  121   2HG2  THR  20          2HG2      THR  20  -4.164   6.705   6.422
  122   3HG2  THR  20          3HG2      THR  20  -4.815   5.490   7.521
  123    H    GLY  21           H        GLY  21  -4.283   7.758   3.531
  124   1HA   GLY  21          2HA       GLY  21  -2.389   8.983   2.866
  125   2HA   GLY  21          1HA       GLY  21  -1.400   7.627   3.411
  126    H    GLY  22           H        GLY  22  -3.962   7.158   1.071
  127   1HA   GLY  22          2HA       GLY  22  -3.900   6.716  -1.236
  128   2HA   GLY  22          1HA       GLY  22  -2.287   7.421  -1.275
  129    H    ARG  23           H        ARG  23  -2.713   4.902   1.054
  130    HA   ARG  23           HA       ARG  23  -1.684   2.855  -0.823
  131   1HB   ARG  23          2HB       ARG  23  -0.003   2.213   0.956
  132   2HB   ARG  23          1HB       ARG  23   0.327   3.738   0.143
  133   1HG   ARG  23          2HG       ARG  23  -0.704   4.969   2.012
  134   2HG   ARG  23          1HG       ARG  23  -1.057   3.444   2.826
  135   1HD   ARG  23          2HD       ARG  23   1.763   3.780   2.004
  136   2HD   ARG  23          1HD       ARG  23   1.213   4.908   3.243
  137    HE   ARG  23           HE       ARG  23   0.426   2.179   3.839
  138   1HH1  ARG  23          1HH2      ARG  23   3.064   4.470   3.995
  139   2HH1  ARG  23          2HH2      ARG  23   3.818   3.664   5.325
  140   1HH2  ARG  23          1HH1      ARG  23   1.435   1.168   5.560
  141   2HH2  ARG  23          2HH1      ARG  23   2.908   1.815   6.203
  142    H    CYS  24           H        CYS  24  -2.058   0.703  -0.087
  143    HA   CYS  24           HA       CYS  24  -4.488   0.341   1.403
  144   1HB   CYS  24          2HB       CYS  24  -2.373  -1.739   0.796
  145   2HB   CYS  24          1HB       CYS  24  -4.052  -2.048   1.218
  146    H    ASP  25           H        ASP  25  -4.799  -0.089   3.528
  147    HA   ASP  25           HA       ASP  25  -2.379  -0.252   5.271
  148   1HB   ASP  25          2HB       ASP  25  -5.022   1.127   5.577
  149   2HB   ASP  25          1HB       ASP  25  -4.178   0.567   7.019